smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1Nc2ccccc2[C@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169011233 785003147 /nfs/dbraw/zinc/00/31/47/785003147.db2.gz IWIDPZPSRVFROO-OSRDXIQISA-N 1 1 315.373 2.100 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](COc3ccccc3)C2)C1 ZINC001169036079 785010991 /nfs/dbraw/zinc/01/09/91/785010991.db2.gz FGFGWXYJLWEZDS-VYDXJSESSA-N 1 1 320.389 2.212 20 5 DEBDMO COC(=O)c1cccc2c1CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169048432 785020998 /nfs/dbraw/zinc/02/09/98/785020998.db2.gz UZJZQJJUVGCJEC-JSGCOSHPSA-N 1 1 318.373 2.277 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCOC[C@H]2Cc2ccccc2)C1 ZINC001169050403 785021445 /nfs/dbraw/zinc/02/14/45/785021445.db2.gz ZIJKYKCMARNDHW-BRWVUGGUSA-N 1 1 304.390 2.375 20 5 DEBDMO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC001170296608 786892277 /nfs/dbraw/zinc/89/22/77/786892277.db2.gz GIWSQFCOJRLZHX-ZIAGYGMSSA-N 1 1 321.421 2.466 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC001170328762 786911670 /nfs/dbraw/zinc/91/16/70/786911670.db2.gz MFYQAXIQEXLPCX-TUKIKUTGSA-N 1 1 306.362 2.398 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC001170328762 786911677 /nfs/dbraw/zinc/91/16/77/786911677.db2.gz MFYQAXIQEXLPCX-TUKIKUTGSA-N 1 1 306.362 2.398 20 5 DEBDMO CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355408 786917862 /nfs/dbraw/zinc/91/78/62/786917862.db2.gz DGDDGRSKCCZWTE-QEJZJMRPSA-N 1 1 319.405 2.313 20 5 DEBDMO CC[C@@]([NH3+])(CO)Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001170856788 789522924 /nfs/dbraw/zinc/52/29/24/789522924.db2.gz AJARNBCIGBOVMP-HNNXBMFYSA-N 1 1 302.334 2.126 20 5 DEBDMO C[N@H+]1CC[C@@H]1CNc1cccc(Br)c1[N+](=O)[O-] ZINC000712532964 792199331 /nfs/dbraw/zinc/19/93/31/792199331.db2.gz YLSXHZJSGCVTKJ-MRVPVSSYSA-N 1 1 300.156 2.473 20 5 DEBDMO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101829351 793399723 /nfs/dbraw/zinc/39/97/23/793399723.db2.gz JVQDWXAENTXIRF-UHFFFAOYSA-N 1 1 322.409 2.195 20 5 DEBDMO COC(=O)C(C)(C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897907 793522154 /nfs/dbraw/zinc/52/21/54/793522154.db2.gz DCVQHJGOMFYFET-CYBMUJFWSA-N 1 1 306.362 2.383 20 5 DEBDMO CCOC(=O)C[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903878 793523977 /nfs/dbraw/zinc/52/39/77/793523977.db2.gz JBZXURHEUXYBMQ-CQSZACIVSA-N 1 1 306.362 2.337 20 5 DEBDMO CO[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1OC ZINC001172908342 793525241 /nfs/dbraw/zinc/52/52/41/793525241.db2.gz LZRQLOCBVZUPAL-BHYGNILZSA-N 1 1 320.389 2.188 20 5 DEBDMO CN1CC[C@H]([N@@H+](C)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172918102 793531248 /nfs/dbraw/zinc/53/12/48/793531248.db2.gz XXVZTBYDNKBCFQ-RDJZCZTQSA-N 1 1 303.406 2.478 20 5 DEBDMO CN(C)C1(C)C[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172916506 793531695 /nfs/dbraw/zinc/53/16/95/793531695.db2.gz SPGGAOMXWVOZGQ-HNNXBMFYSA-N 1 1 303.406 2.478 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CC3(C2)CCOC3)c1F ZINC001173183832 793621941 /nfs/dbraw/zinc/62/19/41/793621941.db2.gz JSTLCXPPXOCCFV-NSHDSACASA-N 1 1 324.352 2.396 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC2(C1)OCCO2 ZINC001173234028 793646439 /nfs/dbraw/zinc/64/64/39/793646439.db2.gz OPYKGYVZRYFVPI-ZDUSSCGKSA-N 1 1 306.362 2.365 20 5 DEBDMO COC(=O)[C@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC12CC2 ZINC001173235992 793647209 /nfs/dbraw/zinc/64/72/09/793647209.db2.gz DGYALCDKEPGGLQ-SWLSCSKDSA-N 1 1 318.373 2.411 20 5 DEBDMO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001176364655 794415125 /nfs/dbraw/zinc/41/51/25/794415125.db2.gz DLIZWOMUEURVGC-OUJBWJOFSA-N 1 1 318.333 2.330 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC001118735726 795220884 /nfs/dbraw/zinc/22/08/84/795220884.db2.gz MGTOACHRZBBVHZ-LBPRGKRZSA-N 1 1 309.341 2.256 20 5 DEBDMO Cn1cc[nH+]c1CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001120784216 795530851 /nfs/dbraw/zinc/53/08/51/795530851.db2.gz HVVOXNMLWSIYHN-UHFFFAOYSA-N 1 1 301.350 2.257 20 5 DEBDMO O=c1[nH]ccc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC001185565398 796282859 /nfs/dbraw/zinc/28/28/59/796282859.db2.gz PWHBAHFFJVQDRT-LBPRGKRZSA-N 1 1 306.366 2.372 20 5 DEBDMO Cc1[nH+]c(N)ccc1CNc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001156980972 798122674 /nfs/dbraw/zinc/12/26/74/798122674.db2.gz RKMQTJWAPFRPIT-UHFFFAOYSA-N 1 1 310.317 2.436 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C[C@H]21 ZINC001157273548 798175539 /nfs/dbraw/zinc/17/55/39/798175539.db2.gz ZWGPJQVTZQWUOQ-GXFFZTMASA-N 1 1 301.350 2.002 20 5 DEBDMO CNC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001197758724 798228889 /nfs/dbraw/zinc/22/88/89/798228889.db2.gz KXPNQHNLHVMLEQ-STQMWFEESA-N 1 1 320.393 2.358 20 5 DEBDMO COc1cc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ncc1[N+](=O)[O-] ZINC001160468481 798692454 /nfs/dbraw/zinc/69/24/54/798692454.db2.gz ANRHZYHLBXBIIB-CNDDSTCGSA-N 1 1 306.366 2.426 20 5 DEBDMO COc1nc(NCC[C@@H]2CC[NH2+]CC2(F)F)ccc1[N+](=O)[O-] ZINC001162811350 799182247 /nfs/dbraw/zinc/18/22/47/799182247.db2.gz WSWNMMCSCFUIPY-VIFPVBQESA-N 1 1 316.308 2.045 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC([NH2+]C2COC2)C1 ZINC001164220939 799543670 /nfs/dbraw/zinc/54/36/70/799543670.db2.gz PYBCACPEQFEZGX-UHFFFAOYSA-N 1 1 318.160 2.079 20 5 DEBDMO CC(C)[N@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC001165201882 799672530 /nfs/dbraw/zinc/67/25/30/799672530.db2.gz ROCOYKYZSYETED-GFCCVEGCSA-N 1 1 315.377 2.457 20 5 DEBDMO O=c1oc2cccc([N+](=O)[O-])c2n1Cc1cn2ccccc2[nH+]1 ZINC001166112659 799828446 /nfs/dbraw/zinc/82/84/46/799828446.db2.gz YOUSPQKIPDZYPT-UHFFFAOYSA-N 1 1 310.269 2.199 20 5 DEBDMO O=C1N[C@@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)CO1 ZINC000932775236 799931048 /nfs/dbraw/zinc/93/10/48/799931048.db2.gz LGNCWLXRWBAMHN-CYBMUJFWSA-N 1 1 323.324 2.054 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933089356 800011647 /nfs/dbraw/zinc/01/16/47/800011647.db2.gz QXYKWVKHPYHFOP-OAHLLOKOSA-N 1 1 322.409 2.238 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000933623512 800140579 /nfs/dbraw/zinc/14/05/79/800140579.db2.gz NEEKUNFMKYOHAL-HNNXBMFYSA-N 1 1 305.378 2.126 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934119297 800266356 /nfs/dbraw/zinc/26/63/56/800266356.db2.gz OKPHEROXCHHBOS-ZLKJLUDKSA-N 1 1 307.350 2.031 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934119297 800266360 /nfs/dbraw/zinc/26/63/60/800266360.db2.gz OKPHEROXCHHBOS-ZLKJLUDKSA-N 1 1 307.350 2.031 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000935113799 800563582 /nfs/dbraw/zinc/56/35/82/800563582.db2.gz FDOWTRUSSNBICD-OAHLLOKOSA-N 1 1 305.378 2.126 20 5 DEBDMO Cc1cc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)cc(C)c1[N+](=O)[O-] ZINC001229466381 801281588 /nfs/dbraw/zinc/28/15/88/801281588.db2.gz NEHKOGYBYRJEOM-NILFDRSVSA-N 1 1 304.346 2.395 20 5 DEBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[N@H+](C)CC1 ZINC001230247892 801376149 /nfs/dbraw/zinc/37/61/49/801376149.db2.gz UQOATQJMUKSZCB-CYBMUJFWSA-N 1 1 307.350 2.416 20 5 DEBDMO C[N@@H+](CCCNC(=O)C(C)(C)F)Cc1ccccc1[N+](=O)[O-] ZINC001231131698 801588123 /nfs/dbraw/zinc/58/81/23/801588123.db2.gz YOQAAXRMVTWJSK-UHFFFAOYSA-N 1 1 311.357 2.281 20 5 DEBDMO CC[N@@H+](CCC(N)=O)Cc1ccc2ccc3cccnc3c2n1 ZINC001232221586 801819398 /nfs/dbraw/zinc/81/93/98/801819398.db2.gz JBXISKFALRCBSG-UHFFFAOYSA-N 1 1 308.385 2.480 20 5 DEBDMO C[C@H]1C[NH2+]CCC[C@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001217990842 802128155 /nfs/dbraw/zinc/12/81/55/802128155.db2.gz VDCBLYAPCLMYNA-TVQRCGJNSA-N 1 1 318.333 2.011 20 5 DEBDMO CC1(C)C[NH2+]CC[C@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001218310885 802166085 /nfs/dbraw/zinc/16/60/85/802166085.db2.gz BWKVZUPTCWVCRF-GFCCVEGCSA-N 1 1 318.333 2.011 20 5 DEBDMO Cc1c(CO[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)cccc1[N+](=O)[O-] ZINC001223330695 802781892 /nfs/dbraw/zinc/78/18/92/802781892.db2.gz YSEZAJDLTXITJY-MAZHCROVSA-N 1 1 304.346 2.224 20 5 DEBDMO C[C@H](O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC001223432930 802789261 /nfs/dbraw/zinc/78/92/61/802789261.db2.gz XYLOVDQLXTWAMZ-SQWYCQTGSA-N 1 1 304.346 2.477 20 5 DEBDMO C[C@H](O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC001224026659 802830892 /nfs/dbraw/zinc/83/08/92/802830892.db2.gz RJBGLYIEOPYMCD-SQWYCQTGSA-N 1 1 304.346 2.477 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001225448198 802966979 /nfs/dbraw/zinc/96/69/79/802966979.db2.gz PQNQDISJZOALKN-GFCCVEGCSA-N 1 1 308.334 2.245 20 5 DEBDMO COC(=O)c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001227295938 803228496 /nfs/dbraw/zinc/22/84/96/803228496.db2.gz RKOSCQKZDKWKKG-CLLJXQQHSA-N 1 1 320.345 2.385 20 5 DEBDMO CO[C@@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCOC1 ZINC001350365444 1151348455 /nfs/dbraw/zinc/34/84/55/1151348455.db2.gz STJKPBJMMYEKAP-CJNGLKHVSA-N 1 1 306.362 2.004 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC001526183343 1070236590 /nfs/dbraw/zinc/23/65/90/1070236590.db2.gz XHTJWALEFNLGBW-PHIMTYICSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC001526183343 1070236599 /nfs/dbraw/zinc/23/65/99/1070236599.db2.gz XHTJWALEFNLGBW-PHIMTYICSA-N 1 1 309.341 2.207 20 5 DEBDMO CC[N@@H+](CCC1CC1)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604293727 1070312310 /nfs/dbraw/zinc/31/23/10/1070312310.db2.gz JILAUFWLJDSBMS-UHFFFAOYSA-N 1 1 316.365 2.397 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001526676838 1070333316 /nfs/dbraw/zinc/33/33/16/1070333316.db2.gz SUHNEIRGIRBVJK-ZLKJLUDKSA-N 1 1 304.350 2.057 20 5 DEBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001451477357 1056807886 /nfs/dbraw/zinc/80/78/86/1056807886.db2.gz WHXPLBRFHRUQLX-MRXNPFEDSA-N 1 1 311.341 2.382 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c3n2CCC3)c1C ZINC001455713297 1057759491 /nfs/dbraw/zinc/75/94/91/1057759491.db2.gz TUZXYGXCBDEKDH-UHFFFAOYSA-N 1 1 314.345 2.284 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001466679971 1059514757 /nfs/dbraw/zinc/51/47/57/1059514757.db2.gz YIHAVOODPHEFGD-LLVKDONJSA-N 1 1 310.329 2.292 20 5 DEBDMO Nc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cc1[N+](=O)[O-] ZINC001468695083 1059836491 /nfs/dbraw/zinc/83/64/91/1059836491.db2.gz SPRSOPOHWOIZFQ-AAEUAGOBSA-N 1 1 304.350 2.132 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CC)C2)cc1[N+](=O)[O-] ZINC001472448016 1060510275 /nfs/dbraw/zinc/51/02/75/1060510275.db2.gz LGGMDTIORWEGEC-ZDUSSCGKSA-N 1 1 321.377 2.160 20 5 DEBDMO CC[N@H+]1[C@H](C)CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H]1C ZINC001472863245 1060597910 /nfs/dbraw/zinc/59/79/10/1060597910.db2.gz IHZAFKIEYLAVKY-PHIMTYICSA-N 1 1 308.338 2.422 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H]1C ZINC001472863245 1060597930 /nfs/dbraw/zinc/59/79/30/1060597930.db2.gz IHZAFKIEYLAVKY-PHIMTYICSA-N 1 1 308.338 2.422 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001472905567 1060606702 /nfs/dbraw/zinc/60/67/02/1060606702.db2.gz BCQNYLUSCIOMCE-LLVKDONJSA-N 1 1 301.350 2.068 20 5 DEBDMO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001473735138 1060719041 /nfs/dbraw/zinc/71/90/41/1060719041.db2.gz RTCJYUAJWOCUAS-WDEREUQCSA-N 1 1 317.349 2.006 20 5 DEBDMO Cc1noc(C[N@@H+]2CCC[C@@]2(CO)c2ccccc2)c1[N+](=O)[O-] ZINC001473891187 1060754756 /nfs/dbraw/zinc/75/47/56/1060754756.db2.gz CEQWZPFHOXPUCL-MRXNPFEDSA-N 1 1 317.345 2.375 20 5 DEBDMO Cc1noc(C[N@H+]2CCC[C@@]2(CO)c2ccccc2)c1[N+](=O)[O-] ZINC001473891187 1060754776 /nfs/dbraw/zinc/75/47/76/1060754776.db2.gz CEQWZPFHOXPUCL-MRXNPFEDSA-N 1 1 317.345 2.375 20 5 DEBDMO CC(C)N(CC[N@@H+](C)CC1=CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001507787605 1063417086 /nfs/dbraw/zinc/41/70/86/1063417086.db2.gz LRAWFNQAXMIQCB-HZPDHXFCSA-N 1 1 323.437 2.321 20 5 DEBDMO CC(C)N(CC[N@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001507787605 1063417101 /nfs/dbraw/zinc/41/71/01/1063417101.db2.gz LRAWFNQAXMIQCB-HZPDHXFCSA-N 1 1 323.437 2.321 20 5 DEBDMO CC(C)N(CC[N@@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001507787605 1063417113 /nfs/dbraw/zinc/41/71/13/1063417113.db2.gz LRAWFNQAXMIQCB-HZPDHXFCSA-N 1 1 323.437 2.321 20 5 DEBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1=CCCCC1 ZINC001493859743 1063998874 /nfs/dbraw/zinc/99/88/74/1063998874.db2.gz WASMCZWLVAKRHK-HZPDHXFCSA-N 1 1 323.437 2.369 20 5 DEBDMO CC(C)[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1=CCCCC1 ZINC001493859743 1063998883 /nfs/dbraw/zinc/99/88/83/1063998883.db2.gz WASMCZWLVAKRHK-HZPDHXFCSA-N 1 1 323.437 2.369 20 5 DEBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1=CCCCC1 ZINC001493859743 1063998889 /nfs/dbraw/zinc/99/88/89/1063998889.db2.gz WASMCZWLVAKRHK-HZPDHXFCSA-N 1 1 323.437 2.369 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(c3ncccn3)CCC2)c1 ZINC001620537976 1078165266 /nfs/dbraw/zinc/16/52/66/1078165266.db2.gz JWTQIKUCMSHUCX-AWEZNQCLSA-N 1 1 314.345 2.087 20 5 DEBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001635066254 1078443280 /nfs/dbraw/zinc/44/32/80/1078443280.db2.gz YZMXVVXHCQTUBL-AWEZNQCLSA-N 1 1 323.368 2.030 20 5 DEBDMO CC[N@H+]1CCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001638148540 1078551044 /nfs/dbraw/zinc/55/10/44/1078551044.db2.gz FMNCBCGAIVQANQ-QWHCGFSZSA-N 1 1 320.393 2.391 20 5 DEBDMO CC(F)(F)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001670738696 1078572642 /nfs/dbraw/zinc/57/26/42/1078572642.db2.gz PUKHPPVERPCXDE-UHFFFAOYSA-N 1 1 319.333 2.050 20 5 DEBDMO C[N@H+]1CC[C@@H]1CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001640438313 1078660749 /nfs/dbraw/zinc/66/07/49/1078660749.db2.gz KFWIONGZAHCJDR-SECBINFHSA-N 1 1 306.753 2.334 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CC[N@@H+]1C ZINC001640438942 1078660464 /nfs/dbraw/zinc/66/04/64/1078660464.db2.gz URHDIRKMRIOVLO-QMMMGPOBSA-N 1 1 313.741 2.151 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CC[N@H+]1C ZINC001640438942 1078660467 /nfs/dbraw/zinc/66/04/67/1078660467.db2.gz URHDIRKMRIOVLO-QMMMGPOBSA-N 1 1 313.741 2.151 20 5 DEBDMO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccns1 ZINC001644059433 1078826566 /nfs/dbraw/zinc/82/65/66/1078826566.db2.gz XYYKATNFBRQDCA-VIFPVBQESA-N 1 1 306.347 2.341 20 5 DEBDMO CO[C@H]1C[NH2+][C@@](C)(C(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001573960053 1069136373 /nfs/dbraw/zinc/13/63/73/1069136373.db2.gz CMHBJLCLHKZEKZ-MLGOLLRUSA-N 1 1 322.361 2.022 20 5 DEBDMO CC(F)(F)CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001644658235 1078853926 /nfs/dbraw/zinc/85/39/26/1078853926.db2.gz ZQLUFEWEMOSGHH-UHFFFAOYSA-N 1 1 313.348 2.410 20 5 DEBDMO C[C@@]12CSC[C@@H]1C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001560204514 1075134174 /nfs/dbraw/zinc/13/41/74/1075134174.db2.gz NZDBVVBPNWYEIK-NWANDNLSSA-N 1 1 308.403 2.313 20 5 DEBDMO CC(C)c1[nH+]ccn1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589776541 1076513356 /nfs/dbraw/zinc/51/33/56/1076513356.db2.gz PCPAHQRIPDEOIF-UHFFFAOYSA-N 1 1 313.321 2.143 20 5 DEBDMO CC[C@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590515199 1076646813 /nfs/dbraw/zinc/64/68/13/1076646813.db2.gz ZDJOYTYDSYMMKU-JTQLQIEISA-N 1 1 302.338 2.007 20 5 DEBDMO C[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC001591126442 1076709312 /nfs/dbraw/zinc/70/93/12/1076709312.db2.gz WARYWMRKSWQXMB-SNVBAGLBSA-N 1 1 316.365 2.253 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001597314996 1077092369 /nfs/dbraw/zinc/09/23/69/1077092369.db2.gz WFDISTIYOXCNQH-AWEZNQCLSA-N 1 1 319.405 2.329 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)c1 ZINC001652491539 1079878328 /nfs/dbraw/zinc/87/83/28/1079878328.db2.gz LDXAIIXJGBTLJO-CYBMUJFWSA-N 1 1 323.418 2.387 20 5 DEBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001655709149 1080013416 /nfs/dbraw/zinc/01/34/16/1080013416.db2.gz OWYJCXFSDPHLNX-LLVKDONJSA-N 1 1 309.341 2.034 20 5 DEBDMO C/C=C(/C)C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001481618463 1080147790 /nfs/dbraw/zinc/14/77/90/1080147790.db2.gz DXORIKSDNOPCDK-BASWHVEKSA-N 1 1 303.362 2.109 20 5 DEBDMO C[C@]1(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCCO1 ZINC001657236579 1080166229 /nfs/dbraw/zinc/16/62/29/1080166229.db2.gz WNHAYFYEGRJPKO-CZUORRHYSA-N 1 1 320.393 2.435 20 5 DEBDMO COc1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1[N+](=O)[O-] ZINC001658175765 1080200336 /nfs/dbraw/zinc/20/03/36/1080200336.db2.gz QFYYDXZMKIQENY-MGPQQGTHSA-N 1 1 305.378 2.033 20 5 DEBDMO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[nH]n1 ZINC001658843393 1080219770 /nfs/dbraw/zinc/21/97/70/1080219770.db2.gz MOSCAKZMLMTJOO-JTQLQIEISA-N 1 1 318.333 2.345 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(C)ccnc1N ZINC001659195117 1080233384 /nfs/dbraw/zinc/23/33/84/1080233384.db2.gz ZSAUGMRRTWIUIW-UHFFFAOYSA-N 1 1 302.334 2.179 20 5 DEBDMO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001659411767 1080239161 /nfs/dbraw/zinc/23/91/61/1080239161.db2.gz CNEVUCYHUAAWHC-HZSPNIEDSA-N 1 1 306.362 2.196 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001673156692 1081742470 /nfs/dbraw/zinc/74/24/70/1081742470.db2.gz IXWLGMONTBFONQ-ZDUSSCGKSA-N 1 1 306.366 2.461 20 5 DEBDMO CC(C)c1ccccc1C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696417 1082290701 /nfs/dbraw/zinc/29/07/01/1082290701.db2.gz HXQGUUCXXIVDPY-HZPDHXFCSA-N 1 1 319.405 2.023 20 5 DEBDMO Cc1ccc(CNC(=O)c2ccc(C[NH+](C)C)o2)cc1[N+](=O)[O-] ZINC001648984502 1082396433 /nfs/dbraw/zinc/39/64/33/1082396433.db2.gz UYIUVALPWNVPCH-UHFFFAOYSA-N 1 1 317.345 2.488 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001128652767 1086315318 /nfs/dbraw/zinc/31/53/18/1086315318.db2.gz QFRUSVQUDYGAJT-AWEZNQCLSA-N 1 1 320.393 2.148 20 5 DEBDMO CN(CCC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001276000910 1092478573 /nfs/dbraw/zinc/47/85/73/1092478573.db2.gz BXWQSSRQQFBFQJ-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO CC/C=C/CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001318884991 1140452860 /nfs/dbraw/zinc/45/28/60/1140452860.db2.gz FOWWUJVRYJDXOC-OBMMGQTPSA-N 1 1 323.437 2.226 20 5 DEBDMO Cc1n[nH]c(=O)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1C ZINC001320015527 1140811837 /nfs/dbraw/zinc/81/18/37/1140811837.db2.gz IHICFWFQAMJZCT-UHFFFAOYSA-N 1 1 306.297 2.136 20 5 DEBDMO [NH3+][C@]12CC[C@H]1C[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246850681 1141086883 /nfs/dbraw/zinc/08/68/83/1141086883.db2.gz CVKUXPCCSWWEJA-ZOBUZTSGSA-N 1 1 301.390 2.265 20 5 DEBDMO N[C@]12CC[C@H]1C[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246850681 1141086895 /nfs/dbraw/zinc/08/68/95/1141086895.db2.gz CVKUXPCCSWWEJA-ZOBUZTSGSA-N 1 1 301.390 2.265 20 5 DEBDMO N[C@]12CC[C@H]1C[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246850681 1141086904 /nfs/dbraw/zinc/08/69/04/1141086904.db2.gz CVKUXPCCSWWEJA-ZOBUZTSGSA-N 1 1 301.390 2.265 20 5 DEBDMO Cc1c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnn1C ZINC001322278369 1141501916 /nfs/dbraw/zinc/50/19/16/1141501916.db2.gz ZBAXDHDIHUCVBG-SECBINFHSA-N 1 1 319.321 2.396 20 5 DEBDMO Cc1cc[nH+]c(N2CCN(c3c(C)cncc3[N+](=O)[O-])CC2)c1 ZINC001322477187 1141602537 /nfs/dbraw/zinc/60/25/37/1141602537.db2.gz DDSTZINYYUUZKK-UHFFFAOYSA-N 1 1 313.361 2.328 20 5 DEBDMO C[C@@H](C(=O)OCc1cccnc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC001337275015 1142722098 /nfs/dbraw/zinc/72/20/98/1142722098.db2.gz KODNWYCTPANREQ-LBPRGKRZSA-N 1 1 307.350 2.298 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001253768474 1142922440 /nfs/dbraw/zinc/92/24/40/1142922440.db2.gz DUNHCNSYHWVBSO-ZIAGYGMSSA-N 1 1 305.378 2.269 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC001339199246 1142979165 /nfs/dbraw/zinc/97/91/65/1142979165.db2.gz BFZAPPPNOPFKKT-JBLDHEPKSA-N 1 1 323.780 2.318 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+](C3CC3)C3COC3)CC2)cc1 ZINC001254480227 1143135591 /nfs/dbraw/zinc/13/55/91/1143135591.db2.gz YSRAZOHMVRJUIM-UHFFFAOYSA-N 1 1 317.389 2.427 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(F)F)CC1 ZINC001254563945 1143247651 /nfs/dbraw/zinc/24/76/51/1143247651.db2.gz HBNYDQZGZSKKEA-LBPRGKRZSA-N 1 1 313.348 2.409 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001254560783 1143248860 /nfs/dbraw/zinc/24/88/60/1143248860.db2.gz YIJDLWHKMMQMPZ-DOMZBBRYSA-N 1 1 305.378 2.078 20 5 DEBDMO CCN1CCC([N@@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600458 1143274565 /nfs/dbraw/zinc/27/45/65/1143274565.db2.gz PWWGQVSZNXAGRM-KRWDZBQOSA-N 1 1 303.406 2.478 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(N3CCC3)CC1)C2 ZINC001254609900 1143282174 /nfs/dbraw/zinc/28/21/74/1143282174.db2.gz FCPLOOKSHXMYQB-QGZVFWFLSA-N 1 1 301.390 2.232 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353329202 1151824236 /nfs/dbraw/zinc/82/42/36/1151824236.db2.gz PCBMWTFNMSMPKA-DZGCQCFKSA-N 1 1 307.394 2.091 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353329202 1151824238 /nfs/dbraw/zinc/82/42/38/1151824238.db2.gz PCBMWTFNMSMPKA-DZGCQCFKSA-N 1 1 307.394 2.091 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@H]2CC2CC2)c1 ZINC001308101209 1147446187 /nfs/dbraw/zinc/44/61/87/1147446187.db2.gz QCOFCFNTPGDVMK-OAHLLOKOSA-N 1 1 306.362 2.475 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@H]2CC2CC2)c1 ZINC001308101209 1147446198 /nfs/dbraw/zinc/44/61/98/1147446198.db2.gz QCOFCFNTPGDVMK-OAHLLOKOSA-N 1 1 306.362 2.475 20 5 DEBDMO COCC1(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001308809107 1147485826 /nfs/dbraw/zinc/48/58/26/1147485826.db2.gz KIFXWSCAGJFTRN-UHFFFAOYSA-N 1 1 306.362 2.475 20 5 DEBDMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000278443835 214156504 /nfs/dbraw/zinc/15/65/04/214156504.db2.gz MBBAKMNYWXYXST-IAQYHMDHSA-N 1 1 303.362 2.399 20 5 DEBDMO CC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000189635962 529561509 /nfs/dbraw/zinc/56/15/09/529561509.db2.gz YRQBRIGASGVMSQ-INIZCTEOSA-N 1 1 321.377 2.079 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOCC1CC1 ZINC000088598863 185259087 /nfs/dbraw/zinc/25/90/87/185259087.db2.gz LDXNXEPANVIEAL-GFCCVEGCSA-N 1 1 321.377 2.280 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOCC1CC1 ZINC000088598863 185259088 /nfs/dbraw/zinc/25/90/88/185259088.db2.gz LDXNXEPANVIEAL-GFCCVEGCSA-N 1 1 321.377 2.280 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000330906723 232152657 /nfs/dbraw/zinc/15/26/57/232152657.db2.gz NFXUMJFEMXNCBJ-VXGBXAGGSA-N 1 1 323.418 2.286 20 5 DEBDMO COc1ccc(OCC[N@@H+]2CCOC(C)(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000331038917 232399862 /nfs/dbraw/zinc/39/98/62/232399862.db2.gz BQBXVEOOJAMIPK-GFCCVEGCSA-N 1 1 324.377 2.482 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCOC(C)(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000331038917 232399867 /nfs/dbraw/zinc/39/98/67/232399867.db2.gz BQBXVEOOJAMIPK-GFCCVEGCSA-N 1 1 324.377 2.482 20 5 DEBDMO C[C@@H]1OCC[C@]12C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO2 ZINC000279711545 215081588 /nfs/dbraw/zinc/08/15/88/215081588.db2.gz SPZDNSXDNVZEQW-PRIUCCMZSA-N 1 1 318.373 2.488 20 5 DEBDMO C[C@@H]1OCC[C@]12C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO2 ZINC000279711545 215081592 /nfs/dbraw/zinc/08/15/92/215081592.db2.gz SPZDNSXDNVZEQW-PRIUCCMZSA-N 1 1 318.373 2.488 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000139360361 186021424 /nfs/dbraw/zinc/02/14/24/186021424.db2.gz ZFGHJRVKCUWWIH-STQMWFEESA-N 1 1 321.377 2.341 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149237093 186048637 /nfs/dbraw/zinc/04/86/37/186048637.db2.gz ZYLMVTLXZUWSCZ-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@H+]1C ZINC000149462082 186050474 /nfs/dbraw/zinc/05/04/74/186050474.db2.gz RQRLFMAWYWNANW-UWVGGRQHSA-N 1 1 311.769 2.461 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000173310176 186175182 /nfs/dbraw/zinc/17/51/82/186175182.db2.gz QFDJUFOIQRADAL-LBPRGKRZSA-N 1 1 306.366 2.400 20 5 DEBDMO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000181872848 186213440 /nfs/dbraw/zinc/21/34/40/186213440.db2.gz GBJNKZGDDDUXMA-UHFFFAOYSA-N 1 1 312.391 2.100 20 5 DEBDMO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000181872848 186213442 /nfs/dbraw/zinc/21/34/42/186213442.db2.gz GBJNKZGDDDUXMA-UHFFFAOYSA-N 1 1 312.391 2.100 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177897338 186201198 /nfs/dbraw/zinc/20/11/98/186201198.db2.gz PEORYDLFYUHWQY-WDEREUQCSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177897338 186201200 /nfs/dbraw/zinc/20/12/00/186201200.db2.gz PEORYDLFYUHWQY-WDEREUQCSA-N 1 1 307.350 2.272 20 5 DEBDMO COC(=O)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000191857021 186265401 /nfs/dbraw/zinc/26/54/01/186265401.db2.gz HRUCMCHETMJUJP-DOMZBBRYSA-N 1 1 322.361 2.105 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000174491381 198340620 /nfs/dbraw/zinc/34/06/20/198340620.db2.gz LGSCVLKZTZWMOB-GFCCVEGCSA-N 1 1 321.377 2.017 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000017281850 354040642 /nfs/dbraw/zinc/04/06/42/354040642.db2.gz GRQRNDYFBFMQDQ-GFCCVEGCSA-N 1 1 320.393 2.370 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1NCCC[N@@H+](C)Cc1ccccc1 ZINC000008376559 354012860 /nfs/dbraw/zinc/01/28/60/354012860.db2.gz BDKCBLBFIRJAMM-UHFFFAOYSA-N 1 1 303.366 2.262 20 5 DEBDMO COc1ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000041318947 354172117 /nfs/dbraw/zinc/17/21/17/354172117.db2.gz FOANGSVKVHNSMD-UHFFFAOYSA-N 1 1 309.366 2.064 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)C(C)C ZINC000041318770 354172688 /nfs/dbraw/zinc/17/26/88/354172688.db2.gz ZVEPZLXOBOJFSU-UHFFFAOYSA-N 1 1 309.366 2.064 20 5 DEBDMO COC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000042567119 354199563 /nfs/dbraw/zinc/19/95/63/354199563.db2.gz CRPKWBWYUHANCM-GFCCVEGCSA-N 1 1 321.377 2.341 20 5 DEBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000047981104 354336980 /nfs/dbraw/zinc/33/69/80/354336980.db2.gz JTLYPCBKFIJMJF-OAHLLOKOSA-N 1 1 317.389 2.333 20 5 DEBDMO CC[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000048058971 354340279 /nfs/dbraw/zinc/34/02/79/354340279.db2.gz LDCGCEVJCITGLY-HIFRSBDPSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000053392397 354433240 /nfs/dbraw/zinc/43/32/40/354433240.db2.gz ABAFYQVRFCVYSF-NSHDSACASA-N 1 1 308.382 2.163 20 5 DEBDMO COC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000053897504 354446151 /nfs/dbraw/zinc/44/61/51/354446151.db2.gz QEMVVBAQYBHMSO-LLVKDONJSA-N 1 1 307.350 2.033 20 5 DEBDMO CCCC[N@@H+](C)CC1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000059394384 354605278 /nfs/dbraw/zinc/60/52/78/354605278.db2.gz FTHVZZKSVZQNNG-UHFFFAOYSA-N 1 1 309.414 2.277 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000066126768 354700404 /nfs/dbraw/zinc/70/04/04/354700404.db2.gz VDLKVBXZOWRDLD-CYBMUJFWSA-N 1 1 322.409 2.243 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C(C)C)CC2)c1 ZINC000068775586 354831339 /nfs/dbraw/zinc/83/13/39/354831339.db2.gz XFUOTPAVMBVZLH-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000074322163 355022779 /nfs/dbraw/zinc/02/27/79/355022779.db2.gz CHAMNOGTADWGBP-GFCCVEGCSA-N 1 1 323.418 2.460 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000078668312 355273286 /nfs/dbraw/zinc/27/32/86/355273286.db2.gz NXLRJSCUTRIDTK-CYBMUJFWSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1CCO ZINC000078668312 355273290 /nfs/dbraw/zinc/27/32/90/355273290.db2.gz NXLRJSCUTRIDTK-CYBMUJFWSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000080375617 355360001 /nfs/dbraw/zinc/36/00/01/355360001.db2.gz QEXSHQFADCBBFO-UHFFFAOYSA-N 1 1 306.297 2.059 20 5 DEBDMO C[C@H](O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000089928965 355549003 /nfs/dbraw/zinc/54/90/03/355549003.db2.gz BWOCNVHYHZPISI-STQMWFEESA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184232082 356188639 /nfs/dbraw/zinc/18/86/39/356188639.db2.gz HBTVIMWUYOBBSK-AAEUAGOBSA-N 1 1 323.368 2.390 20 5 DEBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@@H]1O ZINC000270023270 356352649 /nfs/dbraw/zinc/35/26/49/356352649.db2.gz AVOCLHPZWVKNPU-BBRMVZONSA-N 1 1 308.378 2.457 20 5 DEBDMO C[N@H+]1CC[C@H]2OCCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284565068 283158876 /nfs/dbraw/zinc/15/88/76/283158876.db2.gz NUCDFAOURREROT-UONOGXRCSA-N 1 1 311.769 2.158 20 5 DEBDMO CC[NH+](CC)Cc1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000350153846 356509677 /nfs/dbraw/zinc/50/96/77/356509677.db2.gz CUSWQFLHCNHTBN-UHFFFAOYSA-N 1 1 320.349 2.419 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnc4ccccn34)nc2c1 ZINC000618618920 363549153 /nfs/dbraw/zinc/54/91/53/363549153.db2.gz RFHBWXLKBYRZQR-UHFFFAOYSA-N 1 1 322.328 2.409 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000578745148 356866107 /nfs/dbraw/zinc/86/61/07/356866107.db2.gz HMDLYQLELCSYAQ-JMSVASOKSA-N 1 1 319.361 2.033 20 5 DEBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000581114257 357132607 /nfs/dbraw/zinc/13/26/07/357132607.db2.gz KHEKSVXZVQYMBM-MBNYWOFBSA-N 1 1 305.378 2.297 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1 ZINC000581020269 357119075 /nfs/dbraw/zinc/11/90/75/357119075.db2.gz FXTXGLPPSFFZCK-QWHCGFSZSA-N 1 1 303.362 2.212 20 5 DEBDMO CS[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590656519 357573610 /nfs/dbraw/zinc/57/36/10/357573610.db2.gz CSMLERWZOWWPRS-NSHDSACASA-N 1 1 310.375 2.303 20 5 DEBDMO COC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591015696 357660717 /nfs/dbraw/zinc/66/07/17/357660717.db2.gz CNOOJIVYCIWRBB-AWEZNQCLSA-N 1 1 307.350 2.034 20 5 DEBDMO Cc1cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000593187628 358029050 /nfs/dbraw/zinc/02/90/50/358029050.db2.gz MYYHDLXJWCSEFP-FRRDWIJNSA-N 1 1 305.378 2.456 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1[N+](=O)[O-] ZINC000594195176 358220936 /nfs/dbraw/zinc/22/09/36/358220936.db2.gz CUAQIGDJEGZKNU-KGLIPLIRSA-N 1 1 321.352 2.481 20 5 DEBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594197142 358221802 /nfs/dbraw/zinc/22/18/02/358221802.db2.gz AHFSODDXVGKGLH-HOCLYGCPSA-N 1 1 317.389 2.270 20 5 DEBDMO CC(C)[N@@H+](C)CC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596086661 358607830 /nfs/dbraw/zinc/60/78/30/358607830.db2.gz VULQDAPEPTXSLZ-UHFFFAOYSA-N 1 1 308.382 2.252 20 5 DEBDMO O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000596296079 358662637 /nfs/dbraw/zinc/66/26/37/358662637.db2.gz GLODYELYAMYKRA-NEPJUHHUSA-N 1 1 310.785 2.494 20 5 DEBDMO CCC[N@H+]1CC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000596517654 358705185 /nfs/dbraw/zinc/70/51/85/358705185.db2.gz QKVNIQUGOPAHSO-LLVKDONJSA-N 1 1 301.350 2.434 20 5 DEBDMO Cc1nn(C)c(NC[C@H]2CC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596557256 358713114 /nfs/dbraw/zinc/71/31/14/358713114.db2.gz FPGUKORLVRGELM-CQSZACIVSA-N 1 1 315.377 2.323 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000597853881 359021885 /nfs/dbraw/zinc/02/18/85/359021885.db2.gz CTYCUFDPQHKNQF-ZDUSSCGKSA-N 1 1 319.405 2.374 20 5 DEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000597716130 358986327 /nfs/dbraw/zinc/98/63/27/358986327.db2.gz OAZWNYVFZFKFHV-INIZCTEOSA-N 1 1 303.362 2.153 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342816 359170894 /nfs/dbraw/zinc/17/08/94/359170894.db2.gz QJAVBMOQKYAGAR-GXTWGEPZSA-N 1 1 305.378 2.299 20 5 DEBDMO CC1(C)CC[C@@H](CO)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000598646185 359274819 /nfs/dbraw/zinc/27/48/19/359274819.db2.gz CPZCIKWABMREPS-AWEZNQCLSA-N 1 1 308.378 2.457 20 5 DEBDMO C[N@H+]1CCCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000599140217 359413824 /nfs/dbraw/zinc/41/38/24/359413824.db2.gz SVJNZRYBUDMVRB-SNVBAGLBSA-N 1 1 309.395 2.448 20 5 DEBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1(C)COC1 ZINC000599574741 359530048 /nfs/dbraw/zinc/53/00/48/359530048.db2.gz ZSRWYXLZPWYMIR-UHFFFAOYSA-N 1 1 318.333 2.113 20 5 DEBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1(C)COC1 ZINC000599574741 359530050 /nfs/dbraw/zinc/53/00/50/359530050.db2.gz ZSRWYXLZPWYMIR-UHFFFAOYSA-N 1 1 318.333 2.113 20 5 DEBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1(C)COC1 ZINC000599571723 359530069 /nfs/dbraw/zinc/53/00/69/359530069.db2.gz SKCZFWFPYAHDLE-UHFFFAOYSA-N 1 1 318.333 2.113 20 5 DEBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1(C)COC1 ZINC000599571723 359530071 /nfs/dbraw/zinc/53/00/71/359530071.db2.gz SKCZFWFPYAHDLE-UHFFFAOYSA-N 1 1 318.333 2.113 20 5 DEBDMO C[C@H]1CCCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000187914954 200175715 /nfs/dbraw/zinc/17/57/15/200175715.db2.gz PKSDCAICKPORAI-KBPBESRZSA-N 1 1 308.378 2.457 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000600680497 359799063 /nfs/dbraw/zinc/79/90/63/359799063.db2.gz FKFHANUHFKXBAH-LBPRGKRZSA-N 1 1 306.366 2.448 20 5 DEBDMO CN(CCN1CCCC1=O)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601115710 359926731 /nfs/dbraw/zinc/92/67/31/359926731.db2.gz BALJAVPWOQGRDC-UHFFFAOYSA-N 1 1 314.345 2.202 20 5 DEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601226603 359973659 /nfs/dbraw/zinc/97/36/59/359973659.db2.gz AFBDVIVQEZULQJ-UHFFFAOYSA-N 1 1 320.324 2.449 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000601332239 360010689 /nfs/dbraw/zinc/01/06/89/360010689.db2.gz GYVRGHHYGHYAOE-YPMHNXCESA-N 1 1 321.352 2.290 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(CN[C@@H]3CC[N@@H+](CC4CC4)C3)nc2c1 ZINC000602568069 360437288 /nfs/dbraw/zinc/43/72/88/360437288.db2.gz VUDKGAFQLJJLLP-GFCCVEGCSA-N 1 1 316.361 2.310 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(CN[C@@H]3CC[N@H+]4CCCC[C@H]34)nc2c1 ZINC000602514941 360412379 /nfs/dbraw/zinc/41/23/79/360412379.db2.gz SIECRZQIGJSKKG-TZMCWYRMSA-N 1 1 316.361 2.452 20 5 DEBDMO C[C@@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000602519085 360414570 /nfs/dbraw/zinc/41/45/70/360414570.db2.gz VIVADFMHBPBFLX-CYBMUJFWSA-N 1 1 321.421 2.481 20 5 DEBDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602692441 360502231 /nfs/dbraw/zinc/50/22/31/360502231.db2.gz HWAJCZJEFDGTTG-QWRGUYRKSA-N 1 1 305.334 2.329 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000602787476 360554402 /nfs/dbraw/zinc/55/44/02/360554402.db2.gz YTUHZCMWILNJPQ-HNNXBMFYSA-N 1 1 318.377 2.155 20 5 DEBDMO CCCO[C@@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602774824 360546421 /nfs/dbraw/zinc/54/64/21/360546421.db2.gz BVZOSJKDEDJNSV-CQSZACIVSA-N 1 1 310.398 2.381 20 5 DEBDMO Cc1c([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cnn1C ZINC000444687213 238245303 /nfs/dbraw/zinc/24/53/03/238245303.db2.gz FPTWUTGUSLBJJL-SECBINFHSA-N 1 1 314.349 2.364 20 5 DEBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000609226604 361290497 /nfs/dbraw/zinc/29/04/97/361290497.db2.gz OZGJTCWGYUPYGM-CQSZACIVSA-N 1 1 305.378 2.284 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000609530597 361318194 /nfs/dbraw/zinc/31/81/94/361318194.db2.gz YUINYZXMIVBDLS-ZDUSSCGKSA-N 1 1 320.393 2.241 20 5 DEBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000610003396 361352778 /nfs/dbraw/zinc/35/27/78/361352778.db2.gz BBACFHXTKRJFOZ-OAHLLOKOSA-N 1 1 320.393 2.049 20 5 DEBDMO COC[C@@H]1CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000610605245 361430576 /nfs/dbraw/zinc/43/05/76/361430576.db2.gz SKKZCNGJGZDMPE-LBPRGKRZSA-N 1 1 310.350 2.093 20 5 DEBDMO Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611409011 361594224 /nfs/dbraw/zinc/59/42/24/361594224.db2.gz CRAPARWPYUVVTM-SECBINFHSA-N 1 1 318.333 2.489 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611349051 361583851 /nfs/dbraw/zinc/58/38/51/361583851.db2.gz SYFVYJXMUQWAMD-KGLIPLIRSA-N 1 1 305.378 2.062 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000619578956 363833051 /nfs/dbraw/zinc/83/30/51/363833051.db2.gz WNVHYSNSRYDFNG-AWEZNQCLSA-N 1 1 305.378 2.080 20 5 DEBDMO C[C@@H](C[NH+]1CCOCC1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450258147 241611882 /nfs/dbraw/zinc/61/18/82/241611882.db2.gz PEYPUNMZZFECNA-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543163 243088085 /nfs/dbraw/zinc/08/80/85/243088085.db2.gz BBVLGEFENJGNMQ-OCCSQVGLSA-N 1 1 317.389 2.441 20 5 DEBDMO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451560832 243115519 /nfs/dbraw/zinc/11/55/19/243115519.db2.gz IIUSCHGIBBQJAL-TYNCELHUSA-N 1 1 321.377 2.279 20 5 DEBDMO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451560832 243115527 /nfs/dbraw/zinc/11/55/27/243115527.db2.gz IIUSCHGIBBQJAL-TYNCELHUSA-N 1 1 321.377 2.279 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000376615593 284055765 /nfs/dbraw/zinc/05/57/65/284055765.db2.gz CZSFVHHXAVMPDC-GFCCVEGCSA-N 1 1 303.362 2.342 20 5 DEBDMO C[C@@H](CCO)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000093303003 193226533 /nfs/dbraw/zinc/22/65/33/193226533.db2.gz OACMZZYVSIOBJB-AWEZNQCLSA-N 1 1 318.377 2.064 20 5 DEBDMO C[C@H](NC[C@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453264073 245026916 /nfs/dbraw/zinc/02/69/16/245026916.db2.gz UPDDEVNGBXEHAH-XJKSGUPXSA-N 1 1 307.394 2.092 20 5 DEBDMO C[C@H](NC[C@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453264073 245026924 /nfs/dbraw/zinc/02/69/24/245026924.db2.gz UPDDEVNGBXEHAH-XJKSGUPXSA-N 1 1 307.394 2.092 20 5 DEBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000264631371 204040916 /nfs/dbraw/zinc/04/09/16/204040916.db2.gz LSCBQOHNTAJCGQ-SMDADKPZSA-N 1 1 315.373 2.209 20 5 DEBDMO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264999786 204334584 /nfs/dbraw/zinc/33/45/84/204334584.db2.gz DQSZPCLBGLDFGB-CABCVRRESA-N 1 1 321.377 2.159 20 5 DEBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264999786 204334589 /nfs/dbraw/zinc/33/45/89/204334589.db2.gz DQSZPCLBGLDFGB-CABCVRRESA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000492534509 249083856 /nfs/dbraw/zinc/08/38/56/249083856.db2.gz MYULFGRDJHLNES-DMTLFAOVSA-N 1 1 315.373 2.375 20 5 DEBDMO Cc1c(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000284811324 218187358 /nfs/dbraw/zinc/18/73/58/218187358.db2.gz NQDKCTGIEQDYIZ-USXIJHARSA-N 1 1 320.389 2.265 20 5 DEBDMO Cc1c(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000284811324 218187361 /nfs/dbraw/zinc/18/73/61/218187361.db2.gz NQDKCTGIEQDYIZ-USXIJHARSA-N 1 1 320.389 2.265 20 5 DEBDMO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285351874 218393738 /nfs/dbraw/zinc/39/37/38/218393738.db2.gz PPUKYFHKBUJVQM-CYBMUJFWSA-N 1 1 307.394 2.324 20 5 DEBDMO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285351874 218393739 /nfs/dbraw/zinc/39/37/39/218393739.db2.gz PPUKYFHKBUJVQM-CYBMUJFWSA-N 1 1 307.394 2.324 20 5 DEBDMO Nc1c(F)c(NCc2c[nH+]c3n2CCCC3)ccc1[N+](=O)[O-] ZINC000553592031 291746156 /nfs/dbraw/zinc/74/61/56/291746156.db2.gz GWYFLOVZQPIFRN-UHFFFAOYSA-N 1 1 305.313 2.461 20 5 DEBDMO COC(=O)C1([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000159312431 197345072 /nfs/dbraw/zinc/34/50/72/197345072.db2.gz NGJGSXMKLULNTE-UHFFFAOYSA-N 1 1 322.361 2.391 20 5 DEBDMO COC(=O)C1([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000159312431 197345073 /nfs/dbraw/zinc/34/50/73/197345073.db2.gz NGJGSXMKLULNTE-UHFFFAOYSA-N 1 1 322.361 2.391 20 5 DEBDMO O=C(C[NH+]1CCC(CCCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000272884338 210274172 /nfs/dbraw/zinc/27/41/72/210274172.db2.gz XJCJTTARDBOCEV-UHFFFAOYSA-N 1 1 321.377 2.018 20 5 DEBDMO C[N@@H+](CCC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000289809314 221240779 /nfs/dbraw/zinc/24/07/79/221240779.db2.gz STOWIEMHHWJSCN-UHFFFAOYSA-N 1 1 303.318 2.162 20 5 DEBDMO CCC(=O)CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000290014568 221381139 /nfs/dbraw/zinc/38/11/39/221381139.db2.gz MFHNEDAZRASNJT-UHFFFAOYSA-N 1 1 305.378 2.476 20 5 DEBDMO COc1cc(C(=O)NCCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000299611264 533532601 /nfs/dbraw/zinc/53/26/01/533532601.db2.gz OMQYDPYOOVTPOO-UHFFFAOYSA-N 1 1 309.366 2.064 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355600338 133036684 /nfs/dbraw/zinc/03/66/84/133036684.db2.gz FLAZLPVCVMIPFJ-LLVKDONJSA-N 1 1 310.350 2.377 20 5 DEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000355614787 133037621 /nfs/dbraw/zinc/03/76/21/133037621.db2.gz WYOSWGPNDYJZQE-GFCCVEGCSA-N 1 1 322.361 2.379 20 5 DEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000355733511 133044431 /nfs/dbraw/zinc/04/44/31/133044431.db2.gz LKKSXTHXIYQGFO-NEPJUHHUSA-N 1 1 322.361 2.377 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000357611307 133088251 /nfs/dbraw/zinc/08/82/51/133088251.db2.gz WCGNMXSXKPHSAK-UHFFFAOYSA-N 1 1 314.345 2.068 20 5 DEBDMO Cc1c(C[NH2+]Cc2ccnc(N(C)C)n2)cccc1[N+](=O)[O-] ZINC000359811533 133146497 /nfs/dbraw/zinc/14/64/97/133146497.db2.gz FTANYLRWSVRZBM-UHFFFAOYSA-N 1 1 301.350 2.049 20 5 DEBDMO Cc1cc(NCCC[N@H+](C)CCN(C)C)c(F)cc1[N+](=O)[O-] ZINC000359966680 133155501 /nfs/dbraw/zinc/15/55/01/133155501.db2.gz AUFBHOCOWKYBPG-UHFFFAOYSA-N 1 1 312.389 2.338 20 5 DEBDMO Cc1cc(NCCCN(C)CC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000359966680 133155502 /nfs/dbraw/zinc/15/55/02/133155502.db2.gz AUFBHOCOWKYBPG-UHFFFAOYSA-N 1 1 312.389 2.338 20 5 DEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000362408289 133228829 /nfs/dbraw/zinc/22/88/29/133228829.db2.gz AIOIYTUCPWASJZ-LRDDRELGSA-N 1 1 303.362 2.258 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000362484761 133232637 /nfs/dbraw/zinc/23/26/37/133232637.db2.gz MQVSWFWVEZTPAP-NSHDSACASA-N 1 1 309.341 2.148 20 5 DEBDMO CCc1nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc(C)[nH+]1 ZINC000376425923 133294034 /nfs/dbraw/zinc/29/40/34/133294034.db2.gz IRVOFAATASMPPL-UHFFFAOYSA-N 1 1 316.365 2.294 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@@](CO)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000377727112 133344220 /nfs/dbraw/zinc/34/42/20/133344220.db2.gz SYDYDYMPUVHSKS-MRXNPFEDSA-N 1 1 308.378 2.444 20 5 DEBDMO CCc1nn(C)c(N2CCC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000373055336 133376248 /nfs/dbraw/zinc/37/62/48/133376248.db2.gz FBTYAUSOKJIMNR-NSHDSACASA-N 1 1 318.381 2.008 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000373675406 133399829 /nfs/dbraw/zinc/39/98/29/133399829.db2.gz SCBWHUZSTZXPNC-HUUCEWRRSA-N 1 1 321.377 2.016 20 5 DEBDMO Cc1c(NC(=O)CCN2CC[C@@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000565158441 292138469 /nfs/dbraw/zinc/13/84/69/292138469.db2.gz UNWBXQGPXTXDQA-WCQYABFASA-N 1 1 320.393 2.043 20 5 DEBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346280315 146053472 /nfs/dbraw/zinc/05/34/72/146053472.db2.gz VQDDYQJKMRRSRJ-WOSRLPQWSA-N 1 1 317.389 2.397 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000346639188 146115614 /nfs/dbraw/zinc/11/56/14/146115614.db2.gz JPGVTDFTQCDVFR-GJZGRUSLSA-N 1 1 321.421 2.353 20 5 DEBDMO CCOC(=O)c1c[nH+]ccc1NCc1ccccc1[N+](=O)[O-] ZINC000358928312 147232823 /nfs/dbraw/zinc/23/28/23/147232823.db2.gz IKNIAPCEFOAXGP-UHFFFAOYSA-N 1 1 301.302 2.201 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CO[C@H](C)Cc1[nH]cc[nH+]1 ZINC000360956191 147417222 /nfs/dbraw/zinc/41/72/22/147417222.db2.gz ZDUTUONBDDREFO-LLVKDONJSA-N 1 1 318.333 2.213 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000371309699 148086494 /nfs/dbraw/zinc/08/64/94/148086494.db2.gz ZJIPUJMVKVELEU-GFCCVEGCSA-N 1 1 319.361 2.274 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000371309699 148086498 /nfs/dbraw/zinc/08/64/98/148086498.db2.gz ZJIPUJMVKVELEU-GFCCVEGCSA-N 1 1 319.361 2.274 20 5 DEBDMO Cc1ccc(C(=O)NCc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000375380574 148365552 /nfs/dbraw/zinc/36/55/52/148365552.db2.gz QBIPYXSTTQXZJV-UHFFFAOYSA-N 1 1 314.345 2.366 20 5 DEBDMO CC1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000565986793 292195122 /nfs/dbraw/zinc/19/51/22/292195122.db2.gz MZTQPWOOYUOHGE-UHFFFAOYSA-N 1 1 303.362 2.153 20 5 DEBDMO CO[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000076348121 401792751 /nfs/dbraw/zinc/79/27/51/401792751.db2.gz MSVIGXBRJZYCIP-LBPRGKRZSA-N 1 1 307.350 2.034 20 5 DEBDMO CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116271418 401846896 /nfs/dbraw/zinc/84/68/96/401846896.db2.gz CTHBFEIKYLEFKJ-UHFFFAOYSA-N 1 1 311.769 2.206 20 5 DEBDMO COC(=O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000134218179 401900976 /nfs/dbraw/zinc/90/09/76/401900976.db2.gz JXKJWNVXEDYSJZ-UHFFFAOYSA-N 1 1 322.361 2.391 20 5 DEBDMO COC(=O)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000134218179 401900978 /nfs/dbraw/zinc/90/09/78/401900978.db2.gz JXKJWNVXEDYSJZ-UHFFFAOYSA-N 1 1 322.361 2.391 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134884170 401918097 /nfs/dbraw/zinc/91/80/97/401918097.db2.gz ARQUNBZGBMMAGS-JTQLQIEISA-N 1 1 311.769 2.320 20 5 DEBDMO Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000119551184 401958460 /nfs/dbraw/zinc/95/84/60/401958460.db2.gz ITIKPZVJACASPP-CABCVRRESA-N 1 1 317.389 2.460 20 5 DEBDMO CCCCOCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000121316601 402027705 /nfs/dbraw/zinc/02/77/05/402027705.db2.gz UPHHMDFDQQCRGP-ZDUSSCGKSA-N 1 1 308.382 2.293 20 5 DEBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCCO1 ZINC000051555265 402034915 /nfs/dbraw/zinc/03/49/15/402034915.db2.gz YJNUPWLATINTRH-HNNXBMFYSA-N 1 1 322.361 2.462 20 5 DEBDMO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCCO1 ZINC000051555265 402034917 /nfs/dbraw/zinc/03/49/17/402034917.db2.gz YJNUPWLATINTRH-HNNXBMFYSA-N 1 1 322.361 2.462 20 5 DEBDMO Cc1c(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000121440834 402036415 /nfs/dbraw/zinc/03/64/15/402036415.db2.gz FRBPCPRSECRAQQ-UHFFFAOYSA-N 1 1 317.389 2.348 20 5 DEBDMO Cc1c(C[N@H+]2CCCN(C(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000121440834 402036416 /nfs/dbraw/zinc/03/64/16/402036416.db2.gz FRBPCPRSECRAQQ-UHFFFAOYSA-N 1 1 317.389 2.348 20 5 DEBDMO CCCc1[nH+]ccn1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000151903720 402064852 /nfs/dbraw/zinc/06/48/52/402064852.db2.gz UJIRBIJCFKSILI-ZDUSSCGKSA-N 1 1 305.334 2.184 20 5 DEBDMO CC[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000125571831 402239439 /nfs/dbraw/zinc/23/94/39/402239439.db2.gz QMUGWEJUHGETGE-IUODEOHRSA-N 1 1 303.362 2.432 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000070231915 402258864 /nfs/dbraw/zinc/25/88/64/402258864.db2.gz SOFVNHHEUAWONK-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000070231915 402258865 /nfs/dbraw/zinc/25/88/65/402258865.db2.gz SOFVNHHEUAWONK-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CN(C(=O)C[N@H+](C)C[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000126056659 402262090 /nfs/dbraw/zinc/26/20/90/402262090.db2.gz IOPMHPNHBSKQKB-OAHLLOKOSA-N 1 1 321.377 2.059 20 5 DEBDMO CN(C(=O)C[N@@H+](C)C[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000126056659 402262091 /nfs/dbraw/zinc/26/20/91/402262091.db2.gz IOPMHPNHBSKQKB-OAHLLOKOSA-N 1 1 321.377 2.059 20 5 DEBDMO CC(C)(C)C[N@@H+](CCCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000109747577 402274620 /nfs/dbraw/zinc/27/46/20/402274620.db2.gz JORUGZRYVGWPIH-UHFFFAOYSA-N 1 1 323.393 2.264 20 5 DEBDMO C[N@@H+](CCCOc1ccc(F)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176208667 402290569 /nfs/dbraw/zinc/29/05/69/402290569.db2.gz JFDSJNPTKVHNBW-UHFFFAOYSA-N 1 1 322.340 2.331 20 5 DEBDMO C[C@@H](O)C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162452646 402420659 /nfs/dbraw/zinc/42/06/59/402420659.db2.gz YCHXBBHMUMTUBL-MRVPVSSYSA-N 1 1 303.156 2.170 20 5 DEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000177791034 402436086 /nfs/dbraw/zinc/43/60/86/402436086.db2.gz VQIMXQQJXSXMOL-OLZOCXBDSA-N 1 1 303.362 2.294 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000164092694 402460203 /nfs/dbraw/zinc/46/02/03/402460203.db2.gz ANNJSRYDJRTBHK-DZGCQCFKSA-N 1 1 317.389 2.460 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000186739254 402461409 /nfs/dbraw/zinc/46/14/09/402461409.db2.gz IKAJZQSEQIUNLQ-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000164614076 402465552 /nfs/dbraw/zinc/46/55/52/402465552.db2.gz KASANQNTZZAJHL-BBRMVZONSA-N 1 1 317.389 2.460 20 5 DEBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCOC1 ZINC000178364873 402489655 /nfs/dbraw/zinc/48/96/55/402489655.db2.gz SJKNACOPTQQVSG-NSHDSACASA-N 1 1 318.333 2.113 20 5 DEBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000245883523 402493775 /nfs/dbraw/zinc/49/37/75/402493775.db2.gz IMEONQJICIDTNX-QWHCGFSZSA-N 1 1 317.389 2.462 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000246166768 402514304 /nfs/dbraw/zinc/51/43/04/402514304.db2.gz FONLOPZDCFAQBT-SWLSCSKDSA-N 1 1 320.393 2.076 20 5 DEBDMO C[C@H]([N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000246210507 402518390 /nfs/dbraw/zinc/51/83/90/402518390.db2.gz YDTZFBFTXCHEFK-GXTWGEPZSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCO1 ZINC000170773638 402523295 /nfs/dbraw/zinc/52/32/95/402523295.db2.gz UVXOYSBKFXCKBL-NSHDSACASA-N 1 1 308.334 2.072 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCO1 ZINC000170773638 402523297 /nfs/dbraw/zinc/52/32/97/402523297.db2.gz UVXOYSBKFXCKBL-NSHDSACASA-N 1 1 308.334 2.072 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cn(C)nc1C ZINC000178729360 402531430 /nfs/dbraw/zinc/53/14/30/402531430.db2.gz DKGMNTWNKLWYNW-SNVBAGLBSA-N 1 1 304.350 2.496 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1CCOC1 ZINC000178769474 402536953 /nfs/dbraw/zinc/53/69/53/402536953.db2.gz OBTHGLZJHHHSKW-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@](C)(O)C1 ZINC000248358362 402587265 /nfs/dbraw/zinc/58/72/65/402587265.db2.gz QRULALLCFBFXBQ-BONVTDFDSA-N 1 1 318.333 2.163 20 5 DEBDMO CC1(C)CC[C@@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000248548943 402595882 /nfs/dbraw/zinc/59/58/82/402595882.db2.gz HBAUCXFFWSDFQD-OCCSQVGLSA-N 1 1 320.393 2.434 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180889957 402629253 /nfs/dbraw/zinc/62/92/53/402629253.db2.gz TYSUZNBCKPQQPS-LBPRGKRZSA-N 1 1 320.393 2.171 20 5 DEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@@H]1O ZINC000181472090 402646492 /nfs/dbraw/zinc/64/64/92/402646492.db2.gz ATYBVBVNIDXPLO-BBRMVZONSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192171261 402715839 /nfs/dbraw/zinc/71/58/39/402715839.db2.gz DPGMIOPTEAVVCL-GFCCVEGCSA-N 1 1 323.418 2.385 20 5 DEBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192171261 402715841 /nfs/dbraw/zinc/71/58/41/402715841.db2.gz DPGMIOPTEAVVCL-GFCCVEGCSA-N 1 1 323.418 2.385 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000175371362 402800739 /nfs/dbraw/zinc/80/07/39/402800739.db2.gz HDFKHUTYLPDPBP-CQSZACIVSA-N 1 1 320.393 2.221 20 5 DEBDMO CC[N@@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000263951349 402823637 /nfs/dbraw/zinc/82/36/37/402823637.db2.gz JGMPRTNZKWQZQC-UHFFFAOYSA-N 1 1 316.365 2.031 20 5 DEBDMO COc1cc(C[N@@H+](C)CCCn2ccnc2)c([N+](=O)[O-])cc1F ZINC000184289663 402833255 /nfs/dbraw/zinc/83/32/55/402833255.db2.gz CVFFCIVLBZMCGO-UHFFFAOYSA-N 1 1 322.340 2.461 20 5 DEBDMO C[C@@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000264382635 402873447 /nfs/dbraw/zinc/87/34/47/402873447.db2.gz PHWYXPIXNCHHIB-LBPRGKRZSA-N 1 1 317.393 2.035 20 5 DEBDMO CC[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000271523275 402879098 /nfs/dbraw/zinc/87/90/98/402879098.db2.gz OQZXJPOPRQGGTG-HUUCEWRRSA-N 1 1 304.350 2.103 20 5 DEBDMO COCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000264563180 402889645 /nfs/dbraw/zinc/88/96/45/402889645.db2.gz GADTYFIPJAMHKX-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1nc2sccn2c1[N+](=O)[O-] ZINC000265170624 402897922 /nfs/dbraw/zinc/89/79/22/402897922.db2.gz BFIABOBNXQVWMR-SNVBAGLBSA-N 1 1 309.395 2.082 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000272437422 402937260 /nfs/dbraw/zinc/93/72/60/402937260.db2.gz KKLOIOPEQQDMLH-HZMBPMFUSA-N 1 1 323.780 2.414 20 5 DEBDMO Cn1ccnc1[C@H]([NH2+]C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272543212 402951198 /nfs/dbraw/zinc/95/11/98/402951198.db2.gz PLPBHGCHDQXNDX-OAHLLOKOSA-N 1 1 316.361 2.186 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000280344556 402990404 /nfs/dbraw/zinc/99/04/04/402990404.db2.gz WMEZZABFOUCLNV-UHFFFAOYSA-N 1 1 321.402 2.308 20 5 DEBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273605695 403019055 /nfs/dbraw/zinc/01/90/55/403019055.db2.gz KOSYUBUORDWGPV-KBPBESRZSA-N 1 1 319.409 2.476 20 5 DEBDMO O=C(NCC[N@H+]1CC=CCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000280317415 402987289 /nfs/dbraw/zinc/98/72/89/402987289.db2.gz UFXBKZRKIXGXFV-UHFFFAOYSA-N 1 1 315.329 2.333 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000280317415 402987290 /nfs/dbraw/zinc/98/72/90/402987290.db2.gz UFXBKZRKIXGXFV-UHFFFAOYSA-N 1 1 315.329 2.333 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000268095222 403048359 /nfs/dbraw/zinc/04/83/59/403048359.db2.gz CEZQVWYGWCVYPY-QMTHXVAHSA-N 1 1 304.350 2.199 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000268143631 403053783 /nfs/dbraw/zinc/05/37/83/403053783.db2.gz DSJZPNIPQBSGPG-XXQHYGDVSA-N 1 1 315.373 2.207 20 5 DEBDMO COc1cc(N[C@@H](C)CCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000274524126 403064173 /nfs/dbraw/zinc/06/41/73/403064173.db2.gz XECYNVDZMDQJEF-ZDUSSCGKSA-N 1 1 322.409 2.041 20 5 DEBDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000268265013 403068341 /nfs/dbraw/zinc/06/83/41/403068341.db2.gz TYYVEOZPGJAINY-XHDPSFHLSA-N 1 1 303.362 2.116 20 5 DEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000268341422 403074799 /nfs/dbraw/zinc/07/47/99/403074799.db2.gz CKJZNISYRJNTFL-UHFFFAOYSA-N 1 1 308.378 2.457 20 5 DEBDMO CO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000281650707 403078492 /nfs/dbraw/zinc/07/84/92/403078492.db2.gz JXHLFLYSGULWHD-NHYWBVRUSA-N 1 1 322.361 2.461 20 5 DEBDMO CO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000281650707 403078493 /nfs/dbraw/zinc/07/84/93/403078493.db2.gz JXHLFLYSGULWHD-NHYWBVRUSA-N 1 1 322.361 2.461 20 5 DEBDMO CC(C)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274805899 403089468 /nfs/dbraw/zinc/08/94/68/403089468.db2.gz GQVRIAJNGMXSPI-UHFFFAOYSA-N 1 1 303.366 2.392 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000269737840 403162314 /nfs/dbraw/zinc/16/23/14/403162314.db2.gz YEXJQCZSYGLWMJ-UHFFFAOYSA-N 1 1 316.361 2.191 20 5 DEBDMO CC(C)(C)C1=CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000270562473 403201102 /nfs/dbraw/zinc/20/11/02/403201102.db2.gz KURFJHDEPDORCU-UHFFFAOYSA-N 1 1 305.378 2.435 20 5 DEBDMO NC(=O)c1ccc(NC[C@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000277449898 403218719 /nfs/dbraw/zinc/21/87/19/403218719.db2.gz NZSCNOOCPZCGTK-CYBMUJFWSA-N 1 1 318.377 2.123 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000283846258 403227962 /nfs/dbraw/zinc/22/79/62/403227962.db2.gz GWKWCDJWNOEEMP-LLVKDONJSA-N 1 1 321.377 2.206 20 5 DEBDMO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)CO ZINC000292127080 403300261 /nfs/dbraw/zinc/30/02/61/403300261.db2.gz IKHDUDQSELZEFI-LLVKDONJSA-N 1 1 305.334 2.453 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)CC2(C)C)c1 ZINC000270967073 403246089 /nfs/dbraw/zinc/24/60/89/403246089.db2.gz YZSYSBBZNCNEAO-UHFFFAOYSA-N 1 1 323.418 2.483 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC2(C)C)c1 ZINC000270967073 403246092 /nfs/dbraw/zinc/24/60/92/403246092.db2.gz YZSYSBBZNCNEAO-UHFFFAOYSA-N 1 1 323.418 2.483 20 5 DEBDMO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158173 403250298 /nfs/dbraw/zinc/25/02/98/403250298.db2.gz PRUBWDDFHZOSLH-NEPJUHHUSA-N 1 1 304.394 2.312 20 5 DEBDMO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158173 403250299 /nfs/dbraw/zinc/25/02/99/403250299.db2.gz PRUBWDDFHZOSLH-NEPJUHHUSA-N 1 1 304.394 2.312 20 5 DEBDMO CCOc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330608267 403288856 /nfs/dbraw/zinc/28/88/56/403288856.db2.gz MSXSXPBFVHVEIX-NWDGAFQWSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330608267 403288860 /nfs/dbraw/zinc/28/88/60/403288860.db2.gz MSXSXPBFVHVEIX-NWDGAFQWSA-N 1 1 321.377 2.158 20 5 DEBDMO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000331183871 403346942 /nfs/dbraw/zinc/34/69/42/403346942.db2.gz YFLSIFOJYBTOFN-HNNXBMFYSA-N 1 1 305.378 2.315 20 5 DEBDMO CC(C)C[N@H+]1CCC[C@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342786798 403349769 /nfs/dbraw/zinc/34/97/69/403349769.db2.gz VJJZGIJDLAOARW-LBPRGKRZSA-N 1 1 320.393 2.226 20 5 DEBDMO Cn1c(C(=O)NCCC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000338991492 403312266 /nfs/dbraw/zinc/31/22/66/403312266.db2.gz UPVRHRLSWPHFGE-UHFFFAOYSA-N 1 1 322.409 2.318 20 5 DEBDMO CC(C)([NH2+]CC(=O)NC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000292216323 403324714 /nfs/dbraw/zinc/32/47/14/403324714.db2.gz URISUYGTWLFRFL-UHFFFAOYSA-N 1 1 305.378 2.478 20 5 DEBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000331280229 403368218 /nfs/dbraw/zinc/36/82/18/403368218.db2.gz HYTHKIRKNBUOIE-TYNCELHUSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000331280229 403368223 /nfs/dbraw/zinc/36/82/23/403368223.db2.gz HYTHKIRKNBUOIE-TYNCELHUSA-N 1 1 321.377 2.015 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000292534448 403368929 /nfs/dbraw/zinc/36/89/29/403368929.db2.gz CMZJTHWBHOXUQO-NSHDSACASA-N 1 1 308.382 2.027 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342887258 403385881 /nfs/dbraw/zinc/38/58/81/403385881.db2.gz KMXBPFIRYBSBAC-JTQLQIEISA-N 1 1 314.345 2.043 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](O)CC1 ZINC000293133821 403396800 /nfs/dbraw/zinc/39/68/00/403396800.db2.gz NBALDNPQLROFKZ-AWEZNQCLSA-N 1 1 321.377 2.079 20 5 DEBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000285900462 403406189 /nfs/dbraw/zinc/40/61/89/403406189.db2.gz YEWBEGOOMBKIGJ-CYBMUJFWSA-N 1 1 317.349 2.284 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000285900462 403406192 /nfs/dbraw/zinc/40/61/92/403406192.db2.gz YEWBEGOOMBKIGJ-CYBMUJFWSA-N 1 1 317.349 2.284 20 5 DEBDMO Cc1c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000286024267 403433182 /nfs/dbraw/zinc/43/31/82/403433182.db2.gz QBIRKGPGFBJNJF-XJKSGUPXSA-N 1 1 319.405 2.198 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000286101766 403450029 /nfs/dbraw/zinc/45/00/29/403450029.db2.gz CYVJVFZOKYQNLN-GXSJLCMTSA-N 1 1 319.390 2.130 20 5 DEBDMO CC[N@H+]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286437726 403526480 /nfs/dbraw/zinc/52/64/80/403526480.db2.gz JDEQBTNBNXBXLO-CYBMUJFWSA-N 1 1 323.393 2.008 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332263600 403533619 /nfs/dbraw/zinc/53/36/19/403533619.db2.gz TZKNWBKDRKCMNP-OAHLLOKOSA-N 1 1 317.393 2.243 20 5 DEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286359459 403508267 /nfs/dbraw/zinc/50/82/67/403508267.db2.gz LLROOLOGZBACQG-ZDUSSCGKSA-N 1 1 324.400 2.419 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1C ZINC000332225114 403521119 /nfs/dbraw/zinc/52/11/19/403521119.db2.gz BOSKUBGNNKNMOR-WDEREUQCSA-N 1 1 316.361 2.289 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000340509623 403633054 /nfs/dbraw/zinc/63/30/54/403633054.db2.gz SLKUXLQXCVVOAK-XQQFMLRXSA-N 1 1 320.393 2.400 20 5 DEBDMO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000343614682 403663440 /nfs/dbraw/zinc/66/34/40/403663440.db2.gz CIYKDLWEACJPFW-OLZOCXBDSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000343614682 403663445 /nfs/dbraw/zinc/66/34/45/403663445.db2.gz CIYKDLWEACJPFW-OLZOCXBDSA-N 1 1 321.377 2.423 20 5 DEBDMO COCCC[N@@H+](CCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347375843 403685520 /nfs/dbraw/zinc/68/55/20/403685520.db2.gz KZEYKUKSPWZQIK-SDNWHVSQSA-N 1 1 308.378 2.329 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295118587 403765605 /nfs/dbraw/zinc/76/56/05/403765605.db2.gz MCBADTUPKFPQIZ-ZANVPECISA-N 1 1 323.780 2.461 20 5 DEBDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343822556 403745969 /nfs/dbraw/zinc/74/59/69/403745969.db2.gz GWSQSFHKBVDQKZ-SMDDNHRTSA-N 1 1 303.362 2.116 20 5 DEBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000341074642 403761920 /nfs/dbraw/zinc/76/19/20/403761920.db2.gz ZEPCXIPANJMDCE-OBJOEFQTSA-N 1 1 320.393 2.438 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000411397734 403844379 /nfs/dbraw/zinc/84/43/79/403844379.db2.gz MUATYWZQQLIWGG-IUODEOHRSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000411394743 403844407 /nfs/dbraw/zinc/84/44/07/403844407.db2.gz GUPDGZSBKUXRMY-SWLSCSKDSA-N 1 1 321.377 2.016 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411618279 403914565 /nfs/dbraw/zinc/91/45/65/403914565.db2.gz LMCLKTKTGWODRK-UHOFOFEASA-N 1 1 315.373 2.051 20 5 DEBDMO C[C@H]1C[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000336846972 403921642 /nfs/dbraw/zinc/92/16/42/403921642.db2.gz CFUMWQLBCALUCD-DTWKUNHWSA-N 1 1 307.379 2.494 20 5 DEBDMO C[C@H]1C[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000336846973 403921775 /nfs/dbraw/zinc/92/17/75/403921775.db2.gz CFUMWQLBCALUCD-IUCAKERBSA-N 1 1 307.379 2.494 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCSC2(CCC2)CC1 ZINC000411872582 404001001 /nfs/dbraw/zinc/00/10/01/404001001.db2.gz VQUZQSIYYBXHAF-UHFFFAOYSA-N 1 1 323.418 2.118 20 5 DEBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)(C)CN1CCOCC1 ZINC000412086979 404122946 /nfs/dbraw/zinc/12/29/46/404122946.db2.gz GQRSKZDLTQFJMT-UHFFFAOYSA-N 1 1 307.394 2.137 20 5 DEBDMO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000412093451 404129022 /nfs/dbraw/zinc/12/90/22/404129022.db2.gz RTTOUNUYBGPXNH-MNOVXSKESA-N 1 1 304.350 2.064 20 5 DEBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000412093451 404129027 /nfs/dbraw/zinc/12/90/27/404129027.db2.gz RTTOUNUYBGPXNH-MNOVXSKESA-N 1 1 304.350 2.064 20 5 DEBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000412098670 404133576 /nfs/dbraw/zinc/13/35/76/404133576.db2.gz VUCHMQWWHSDIKD-NWDGAFQWSA-N 1 1 322.361 2.054 20 5 DEBDMO CS[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000296368380 404214673 /nfs/dbraw/zinc/21/46/73/404214673.db2.gz RGXACUZFLOEMDT-GXFFZTMASA-N 1 1 309.391 2.359 20 5 DEBDMO CS[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000296368380 404214676 /nfs/dbraw/zinc/21/46/76/404214676.db2.gz RGXACUZFLOEMDT-GXFFZTMASA-N 1 1 309.391 2.359 20 5 DEBDMO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCNC1=O ZINC000355185370 404267630 /nfs/dbraw/zinc/26/76/30/404267630.db2.gz IILVYGKKLXQYLA-CQSZACIVSA-N 1 1 315.329 2.175 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCNC1=O ZINC000355185370 404267639 /nfs/dbraw/zinc/26/76/39/404267639.db2.gz IILVYGKKLXQYLA-CQSZACIVSA-N 1 1 315.329 2.175 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000296578374 404309132 /nfs/dbraw/zinc/30/91/32/404309132.db2.gz QXZXRUJXVJRTGP-LLVKDONJSA-N 1 1 317.349 2.140 20 5 DEBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000290785705 404310768 /nfs/dbraw/zinc/31/07/68/404310768.db2.gz NPYRDVBHRUUPJN-GDBMZVCRSA-N 1 1 320.389 2.455 20 5 DEBDMO CCOC(=O)c1c[nH+]ccc1NCc1ccc([N+](=O)[O-])cc1 ZINC000337933412 404319780 /nfs/dbraw/zinc/31/97/80/404319780.db2.gz COIBTEOQCHQRMT-UHFFFAOYSA-N 1 1 301.302 2.201 20 5 DEBDMO O=C1NCCc2ccc(C[NH2+]Cc3csc([N+](=O)[O-])c3)cc21 ZINC000350313911 404364848 /nfs/dbraw/zinc/36/48/48/404364848.db2.gz JCPMZQQKXILUKP-UHFFFAOYSA-N 1 1 317.370 2.232 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@H+](C)C(C)C)c1 ZINC000344849693 404403461 /nfs/dbraw/zinc/40/34/61/404403461.db2.gz VCDWMHDCZAAMNV-UHFFFAOYSA-N 1 1 323.393 2.129 20 5 DEBDMO CCn1cnnc1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344878233 404422204 /nfs/dbraw/zinc/42/22/04/404422204.db2.gz PWWBEZXWEUPCMP-GHXNOFRVSA-N 1 1 301.350 2.399 20 5 DEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H](C(N)=O)c1ccccc1 ZINC000352550111 404451082 /nfs/dbraw/zinc/45/10/82/404451082.db2.gz KELPJAZERYXBJL-MRXNPFEDSA-N 1 1 313.357 2.296 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H](C(N)=O)c1ccccc1 ZINC000352550111 404451086 /nfs/dbraw/zinc/45/10/86/404451086.db2.gz KELPJAZERYXBJL-MRXNPFEDSA-N 1 1 313.357 2.296 20 5 DEBDMO CC(C)[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571552 404463406 /nfs/dbraw/zinc/46/34/06/404463406.db2.gz WECCIGLFAWKMHL-ZDUSSCGKSA-N 1 1 307.394 2.230 20 5 DEBDMO CC(C)[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571552 404463412 /nfs/dbraw/zinc/46/34/12/404463412.db2.gz WECCIGLFAWKMHL-ZDUSSCGKSA-N 1 1 307.394 2.230 20 5 DEBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000373048261 404526055 /nfs/dbraw/zinc/52/60/55/404526055.db2.gz UVWUTSNZBCBHPV-LLVKDONJSA-N 1 1 313.361 2.290 20 5 DEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330430787 404658525 /nfs/dbraw/zinc/65/85/25/404658525.db2.gz VQSQOZCZNXGMAM-MNOVXSKESA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330430787 404658532 /nfs/dbraw/zinc/65/85/32/404658532.db2.gz VQSQOZCZNXGMAM-MNOVXSKESA-N 1 1 307.350 2.272 20 5 DEBDMO C[C@H]1[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC[N@H+]1C ZINC000345287949 404659502 /nfs/dbraw/zinc/65/95/02/404659502.db2.gz IVNBCGYCOFXZLE-IINYFYTJSA-N 1 1 316.361 2.289 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000356771414 404686938 /nfs/dbraw/zinc/68/69/38/404686938.db2.gz CUAHCZINQWHABD-CQSZACIVSA-N 1 1 304.394 2.466 20 5 DEBDMO COc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000356732703 404672032 /nfs/dbraw/zinc/67/20/32/404672032.db2.gz ACRHKAFRGMUEAC-NSHDSACASA-N 1 1 309.366 2.062 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000356789172 404692089 /nfs/dbraw/zinc/69/20/89/404692089.db2.gz UBULICDWRKTSIO-LBPRGKRZSA-N 1 1 323.393 2.452 20 5 DEBDMO CSc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330585625 404693656 /nfs/dbraw/zinc/69/36/56/404693656.db2.gz LJLDUWFDUVYHNI-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330585625 404693659 /nfs/dbraw/zinc/69/36/59/404693659.db2.gz LJLDUWFDUVYHNI-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO COc1ccc(C[NH2+]C[C@@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000414827224 404742548 /nfs/dbraw/zinc/74/25/48/404742548.db2.gz GWCCFUDUNKTHNQ-CQSZACIVSA-N 1 1 301.346 2.393 20 5 DEBDMO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000415134299 404815922 /nfs/dbraw/zinc/81/59/22/404815922.db2.gz VXKOXPNRFOCGEW-DLBZAZTESA-N 1 1 319.405 2.313 20 5 DEBDMO COc1cc(CN2CC[N@@H+](C)CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000353433582 404829821 /nfs/dbraw/zinc/82/98/21/404829821.db2.gz GXGLFRBUBPPZPF-LBPRGKRZSA-N 1 1 323.393 2.138 20 5 DEBDMO C[C@@H](O)CCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353608981 404881778 /nfs/dbraw/zinc/88/17/78/404881778.db2.gz SSNOAZQTWUYBQB-IUODEOHRSA-N 1 1 318.377 2.168 20 5 DEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](C2CCC2)CC1 ZINC000360909679 404850392 /nfs/dbraw/zinc/85/03/92/404850392.db2.gz JYGBQTHYVICTCS-UHFFFAOYSA-N 1 1 303.362 2.472 20 5 DEBDMO CS[C@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000451322003 404953939 /nfs/dbraw/zinc/95/39/39/404953939.db2.gz QBLAIGHGPUTQFI-LBPRGKRZSA-N 1 1 309.391 2.279 20 5 DEBDMO CS[C@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000451322003 404953944 /nfs/dbraw/zinc/95/39/44/404953944.db2.gz QBLAIGHGPUTQFI-LBPRGKRZSA-N 1 1 309.391 2.279 20 5 DEBDMO CC(C)C[C@@]1(C)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451293958 404943580 /nfs/dbraw/zinc/94/35/80/404943580.db2.gz WYRWJAHZCWHXPC-LSDHHAIUSA-N 1 1 310.398 2.053 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1NC)C(C)C ZINC000361212287 404975951 /nfs/dbraw/zinc/97/59/51/404975951.db2.gz MNWDKVNBMLRNFL-UHFFFAOYSA-N 1 1 308.382 2.097 20 5 DEBDMO CSc1ccc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000354005546 404996970 /nfs/dbraw/zinc/99/69/70/404996970.db2.gz HJHBKPFEFDYUTO-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO CO[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000361368725 405042289 /nfs/dbraw/zinc/04/22/89/405042289.db2.gz GSVCGIGYFFOLRF-ZWNOBZJWSA-N 1 1 318.333 2.427 20 5 DEBDMO CO[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000361368725 405042290 /nfs/dbraw/zinc/04/22/90/405042290.db2.gz GSVCGIGYFFOLRF-ZWNOBZJWSA-N 1 1 318.333 2.427 20 5 DEBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408073047 405105696 /nfs/dbraw/zinc/10/56/96/405105696.db2.gz SQLAWLGZQYGJSM-QWRGUYRKSA-N 1 1 316.361 2.241 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408073047 405105700 /nfs/dbraw/zinc/10/57/00/405105700.db2.gz SQLAWLGZQYGJSM-QWRGUYRKSA-N 1 1 316.361 2.241 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)n1 ZINC000361563187 405132246 /nfs/dbraw/zinc/13/22/46/405132246.db2.gz LTXZSXZORVZECX-UHFFFAOYSA-N 1 1 314.345 2.044 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)n1 ZINC000361563187 405132250 /nfs/dbraw/zinc/13/22/50/405132250.db2.gz LTXZSXZORVZECX-UHFFFAOYSA-N 1 1 314.345 2.044 20 5 DEBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000408207303 405137905 /nfs/dbraw/zinc/13/79/05/405137905.db2.gz WDIQTWHHXJJRHU-UHFFFAOYSA-N 1 1 306.366 2.013 20 5 DEBDMO CN(C)c1[nH+]cc(CN(C)Cc2ccccc2[N+](=O)[O-])n1C ZINC000425329941 405273869 /nfs/dbraw/zinc/27/38/69/405273869.db2.gz VDIRXRNONPTDFM-UHFFFAOYSA-N 1 1 303.366 2.026 20 5 DEBDMO C[C@@H](NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000454363504 405335889 /nfs/dbraw/zinc/33/58/89/405335889.db2.gz OKOBXSJPRGKIRH-OSAQELSMSA-N 1 1 318.377 2.001 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000425482958 405297884 /nfs/dbraw/zinc/29/78/84/405297884.db2.gz RBNAAHDDKLJKCG-OAHLLOKOSA-N 1 1 307.394 2.375 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000446349480 405379813 /nfs/dbraw/zinc/37/98/13/405379813.db2.gz PBNVFZRSSNBCOH-CQSZACIVSA-N 1 1 305.378 2.315 20 5 DEBDMO O=C(C[N@H+]1CC[C@H]2CCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000426457182 405361130 /nfs/dbraw/zinc/36/11/30/405361130.db2.gz XNVUEAGHBBUCGO-DOMZBBRYSA-N 1 1 315.373 2.358 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000426474606 405362310 /nfs/dbraw/zinc/36/23/10/405362310.db2.gz UTSKSRYEBZKMRU-SMDDNHRTSA-N 1 1 319.361 2.416 20 5 DEBDMO CCc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000421705767 405598825 /nfs/dbraw/zinc/59/88/25/405598825.db2.gz SDRTUOXVMZPASH-AWEZNQCLSA-N 1 1 305.378 2.323 20 5 DEBDMO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000494209657 405662705 /nfs/dbraw/zinc/66/27/05/405662705.db2.gz TYJWFFBLXCFRIA-BONVTDFDSA-N 1 1 318.333 2.302 20 5 DEBDMO COC[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449703512 405700927 /nfs/dbraw/zinc/70/09/27/405700927.db2.gz WMSOEQWRWMKPQC-AWEZNQCLSA-N 1 1 314.769 2.079 20 5 DEBDMO COC[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449703512 405700932 /nfs/dbraw/zinc/70/09/32/405700932.db2.gz WMSOEQWRWMKPQC-AWEZNQCLSA-N 1 1 314.769 2.079 20 5 DEBDMO CC(C)Oc1nc(N2CC[N@@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000583574837 405765207 /nfs/dbraw/zinc/76/52/07/405765207.db2.gz KTUPHDXPYZMJLN-LBPRGKRZSA-N 1 1 308.382 2.307 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433144762 405878910 /nfs/dbraw/zinc/87/89/10/405878910.db2.gz NRLJQUHRKQHJOP-UHFFFAOYSA-N 1 1 320.393 2.045 20 5 DEBDMO CCC(=O)CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450567714 405957585 /nfs/dbraw/zinc/95/75/85/405957585.db2.gz MCNWHGCCOSTEPY-LBPRGKRZSA-N 1 1 306.366 2.235 20 5 DEBDMO CON1CCC([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000459579715 405964784 /nfs/dbraw/zinc/96/47/84/405964784.db2.gz LLSOMYYHRGYBCI-UHFFFAOYSA-N 1 1 315.320 2.331 20 5 DEBDMO CON1CCC([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000459579715 405964787 /nfs/dbraw/zinc/96/47/87/405964787.db2.gz LLSOMYYHRGYBCI-UHFFFAOYSA-N 1 1 315.320 2.331 20 5 DEBDMO O=[N+]([O-])c1cccc2c1ccnc2NCC[N@H+]1CCCOCC1 ZINC000450473741 405917404 /nfs/dbraw/zinc/91/74/04/405917404.db2.gz NXFHDOTUUUIUHG-UHFFFAOYSA-N 1 1 316.361 2.277 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000531507989 405970178 /nfs/dbraw/zinc/97/01/78/405970178.db2.gz VEVSADSHXFQILW-OAHLLOKOSA-N 1 1 319.405 2.374 20 5 DEBDMO CCNC(=O)C[N@@H+](CC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470171310 406100277 /nfs/dbraw/zinc/10/02/77/406100277.db2.gz IFADAEQIDVXUGD-LCYFTJDESA-N 1 1 305.378 2.456 20 5 DEBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000459774107 406041478 /nfs/dbraw/zinc/04/14/78/406041478.db2.gz WBZMGBGNCZAUNW-GFCCVEGCSA-N 1 1 306.341 2.493 20 5 DEBDMO CSc1cccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000486954049 406192544 /nfs/dbraw/zinc/19/25/44/406192544.db2.gz HVNBXCJUXAAMGY-MNOVXSKESA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1cccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000486954049 406192547 /nfs/dbraw/zinc/19/25/47/406192547.db2.gz HVNBXCJUXAAMGY-MNOVXSKESA-N 1 1 323.418 2.481 20 5 DEBDMO CC(C)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1C ZINC000487156996 406210487 /nfs/dbraw/zinc/21/04/87/406210487.db2.gz TVDHNRJCWJZDCA-AWEZNQCLSA-N 1 1 315.377 2.314 20 5 DEBDMO COc1ccc(CN2CC[N@@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000487968619 406278201 /nfs/dbraw/zinc/27/82/01/406278201.db2.gz GCXQCBJCNPSWLR-HNNXBMFYSA-N 1 1 307.394 2.375 20 5 DEBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000569610073 406279044 /nfs/dbraw/zinc/27/90/44/406279044.db2.gz DXDSLSXABFQOPT-JTQLQIEISA-N 1 1 316.317 2.006 20 5 DEBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CC1(C)C ZINC000489499607 406413154 /nfs/dbraw/zinc/41/31/54/406413154.db2.gz MDRRGPRCYBPHRS-AWEZNQCLSA-N 1 1 303.362 2.214 20 5 DEBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CC1(C)C ZINC000489499607 406413158 /nfs/dbraw/zinc/41/31/58/406413158.db2.gz MDRRGPRCYBPHRS-AWEZNQCLSA-N 1 1 303.362 2.214 20 5 DEBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000491183151 406539069 /nfs/dbraw/zinc/53/90/69/406539069.db2.gz AGTZSMDMQNQMBZ-GSNCDVCBSA-N 1 1 315.373 2.351 20 5 DEBDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491531325 406612689 /nfs/dbraw/zinc/61/26/89/406612689.db2.gz GFXMSJXDHRPDKT-AFNCTOJWSA-N 1 1 303.362 2.018 20 5 DEBDMO Cc1sc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000552418142 406709866 /nfs/dbraw/zinc/70/98/66/406709866.db2.gz MMDVQHBWZJJVNA-WDEREUQCSA-N 1 1 309.391 2.273 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491922965 406779069 /nfs/dbraw/zinc/77/90/69/406779069.db2.gz BLGZXGYKRNAYNM-KTLBGCOUSA-N 1 1 321.352 2.205 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000491915894 406776532 /nfs/dbraw/zinc/77/65/32/406776532.db2.gz QHBHXMUFDSQVHV-KHAURHHGSA-N 1 1 303.362 2.207 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000555005903 406831243 /nfs/dbraw/zinc/83/12/43/406831243.db2.gz FUBPWOFWEQTAFN-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246384478 225226945 /nfs/dbraw/zinc/22/69/45/225226945.db2.gz HIDDYULPUQEUNO-TYNCELHUSA-N 1 1 321.377 2.015 20 5 DEBDMO Cc1ccc(NCCCNC(=O)CCC(C)(C)[N+](=O)[O-])[nH+]c1 ZINC000295817448 225273912 /nfs/dbraw/zinc/27/39/12/225273912.db2.gz LMOYVIGCSVIYDG-UHFFFAOYSA-N 1 1 308.382 2.144 20 5 DEBDMO CC[N@@H+](C[C@H](C)OC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000291336038 222321410 /nfs/dbraw/zinc/32/14/10/222321410.db2.gz WFCHYGDPKHRBGL-RYUDHWBXSA-N 1 1 309.366 2.279 20 5 DEBDMO C[N@@H+](CCNc1ncnc2cccc([N+](=O)[O-])c21)C1CCCC1 ZINC000347401223 425010978 /nfs/dbraw/zinc/01/09/78/425010978.db2.gz BYJNHIJMFWEQQQ-UHFFFAOYSA-N 1 1 315.377 2.824 20 5 DEBDMO C[C@@H]1C[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000450353693 425070297 /nfs/dbraw/zinc/07/02/97/425070297.db2.gz GHLVRKVXNBBHNB-DGCLKSJQSA-N 1 1 300.362 3.038 20 5 DEBDMO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000334059608 269013112 /nfs/dbraw/zinc/01/31/12/269013112.db2.gz AUSVFLOLGRMPIF-FZMZJTMJSA-N 1 1 305.378 2.370 20 5 DEBDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430227602 269127104 /nfs/dbraw/zinc/12/71/04/269127104.db2.gz ROSMZDAVLQJHGL-CYBMUJFWSA-N 1 1 324.377 2.088 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000518057096 269396224 /nfs/dbraw/zinc/39/62/24/269396224.db2.gz NIRQNFYFASJZPO-CYBMUJFWSA-N 1 1 322.409 2.318 20 5 DEBDMO O=C1[C@@H]([N@H+]2CC[C@@H](C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344022120 275027942 /nfs/dbraw/zinc/02/79/42/275027942.db2.gz CVTNTBPRCSTVQE-CJNGLKHVSA-N 1 1 315.373 2.432 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000109756400 275035308 /nfs/dbraw/zinc/03/53/08/275035308.db2.gz IEYJWGVCXLOWTP-NEPJUHHUSA-N 1 1 304.268 2.482 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000109756400 275035309 /nfs/dbraw/zinc/03/53/09/275035309.db2.gz IEYJWGVCXLOWTP-NEPJUHHUSA-N 1 1 304.268 2.482 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(F)c1 ZINC000135561387 275035459 /nfs/dbraw/zinc/03/54/59/275035459.db2.gz JNYHLKLMARZXDK-KBPBESRZSA-N 1 1 312.366 2.440 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c(F)c1 ZINC000135561387 275035460 /nfs/dbraw/zinc/03/54/60/275035460.db2.gz JNYHLKLMARZXDK-KBPBESRZSA-N 1 1 312.366 2.440 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000269444884 275036997 /nfs/dbraw/zinc/03/69/97/275036997.db2.gz UEWJVFDIWSILCM-WFASDCNBSA-N 1 1 302.378 2.443 20 5 DEBDMO CC[N@@H+](C)CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176009939 276069999 /nfs/dbraw/zinc/06/99/99/276069999.db2.gz CCUWFUSFFPKGQS-GFCCVEGCSA-N 1 1 308.382 2.215 20 5 DEBDMO C[N@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000286368508 277115393 /nfs/dbraw/zinc/11/53/93/277115393.db2.gz CVJAKJPHDNKNSA-HNNXBMFYSA-N 1 1 312.373 2.353 20 5 DEBDMO COC(=O)[C@H](C)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000114562781 277380711 /nfs/dbraw/zinc/38/07/11/277380711.db2.gz AWYGGXUOMMZBBA-GFCCVEGCSA-N 1 1 306.362 2.411 20 5 DEBDMO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000293134656 279131419 /nfs/dbraw/zinc/13/14/19/279131419.db2.gz LMFYOTINOCCDTE-SNVBAGLBSA-N 1 1 309.757 2.323 20 5 DEBDMO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000293134656 279131421 /nfs/dbraw/zinc/13/14/21/279131421.db2.gz LMFYOTINOCCDTE-SNVBAGLBSA-N 1 1 309.757 2.323 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000090519020 280394786 /nfs/dbraw/zinc/39/47/86/280394786.db2.gz WTZPEHKFBITLGD-OAHLLOKOSA-N 1 1 305.378 2.411 20 5 DEBDMO Cc1ccc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000291201139 280878751 /nfs/dbraw/zinc/87/87/51/280878751.db2.gz UKRZMERYAJTDDA-ZIAGYGMSSA-N 1 1 305.378 2.203 20 5 DEBDMO Cc1ccnc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488716013 302272408 /nfs/dbraw/zinc/27/24/08/302272408.db2.gz QICLWMJCLKPDAA-FPMFFAJLSA-N 1 1 304.394 2.465 20 5 DEBDMO C[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413123031 534029247 /nfs/dbraw/zinc/02/92/47/534029247.db2.gz LPNPVVZRFGSPQL-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413123031 534029253 /nfs/dbraw/zinc/02/92/53/534029253.db2.gz LPNPVVZRFGSPQL-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)CN1CCOCC1 ZINC000124302027 523318596 /nfs/dbraw/zinc/31/85/96/523318596.db2.gz KVKDOGOCZNMYPW-UHFFFAOYSA-N 1 1 321.421 2.385 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000296674745 528614370 /nfs/dbraw/zinc/61/43/70/528614370.db2.gz HXJNAHZFUAPSKF-NSHDSACASA-N 1 1 322.365 2.067 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000296674739 528614645 /nfs/dbraw/zinc/61/46/45/528614645.db2.gz HXJNAHZFUAPSKF-LLVKDONJSA-N 1 1 322.365 2.067 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000451734983 536142566 /nfs/dbraw/zinc/14/25/66/536142566.db2.gz XQIYRQJQQSBJFQ-AWEZNQCLSA-N 1 1 307.394 2.390 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000493462837 536362547 /nfs/dbraw/zinc/36/25/47/536362547.db2.gz KCDZEPXEYVJROE-AJHXJQRKSA-N 1 1 317.389 2.456 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000361715203 536379185 /nfs/dbraw/zinc/37/91/85/536379185.db2.gz YTVYTZUFYOQVEP-IAQYHMDHSA-N 1 1 321.352 2.290 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000492380762 536460301 /nfs/dbraw/zinc/46/03/01/536460301.db2.gz QTFFVQIRTNQXDQ-KRHNWMDASA-N 1 1 315.373 2.161 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000374903742 536460628 /nfs/dbraw/zinc/46/06/28/536460628.db2.gz QTFFVQIRTNQXDQ-CKAOXQASSA-N 1 1 315.373 2.161 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246568794 536471467 /nfs/dbraw/zinc/47/14/67/536471467.db2.gz HPICAHDBVDQOIG-GOEBONIOSA-N 1 1 317.389 2.080 20 5 DEBDMO CN1CC[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451548788 536478039 /nfs/dbraw/zinc/47/80/39/536478039.db2.gz OKZAHFLJFZWZPP-HIFRSBDPSA-N 1 1 303.362 2.005 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000493056419 536487290 /nfs/dbraw/zinc/48/72/90/536487290.db2.gz UEIZFDWAEJGCTC-HJYQMELSSA-N 1 1 315.373 2.161 20 5 DEBDMO Cc1nc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001327741332 1148635824 /nfs/dbraw/zinc/63/58/24/1148635824.db2.gz MTNVHSMSTILZQP-ZDUSSCGKSA-N 1 1 305.382 2.227 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC001327797532 1148646646 /nfs/dbraw/zinc/64/66/46/1148646646.db2.gz IXRZWKYDPWNKDE-CABCVRRESA-N 1 1 306.362 2.008 20 5 DEBDMO C[C@]([NH3+])(C(=O)N1C[C@@H]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001355487454 1152014800 /nfs/dbraw/zinc/01/48/00/1152014800.db2.gz DCTNDSFEMYAKLG-BFQNTYOBSA-N 1 1 303.362 2.027 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC000891144905 623641717 /nfs/dbraw/zinc/64/17/17/623641717.db2.gz JAGCEVOGTKHUBJ-KRWDZBQOSA-N 1 1 317.389 2.379 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000892145836 624795875 /nfs/dbraw/zinc/79/58/75/624795875.db2.gz SZDXZHZCEVZORA-YPMHNXCESA-N 1 1 322.361 2.167 20 5 DEBDMO CC(C)N1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000892989505 625846691 /nfs/dbraw/zinc/84/66/91/625846691.db2.gz RGNUUTAHBZGZMO-LBPRGKRZSA-N 1 1 311.769 2.347 20 5 DEBDMO Cc1ccc(C(=O)OCCC[N@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000893393304 633244135 /nfs/dbraw/zinc/24/41/35/633244135.db2.gz MCJMIKSGIKQTQT-ZDUSSCGKSA-N 1 1 322.361 2.171 20 5 DEBDMO CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]2CC1 ZINC000946419600 634050488 /nfs/dbraw/zinc/05/04/88/634050488.db2.gz UNXDRYLNZCNUOR-IYBDPMFKSA-N 1 1 317.389 2.285 20 5 DEBDMO C[N@@H+](CCOC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC000837335543 650186986 /nfs/dbraw/zinc/18/69/86/650186986.db2.gz RRXDLJKEDURUKC-UHFFFAOYSA-N 1 1 304.302 2.477 20 5 DEBDMO Cc1nn(C)c(C(=O)OC[C@@H]2CCCC[N@@H+]2C(C)C)c1[N+](=O)[O-] ZINC000837465722 650201874 /nfs/dbraw/zinc/20/18/74/650201874.db2.gz RETKHSXJUVEROD-LBPRGKRZSA-N 1 1 324.381 2.056 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1[N+](=O)[O-] ZINC000893914150 636063948 /nfs/dbraw/zinc/06/39/48/636063948.db2.gz TUPNTGOLHBOPNQ-GVXVVHGQSA-N 1 1 324.377 2.290 20 5 DEBDMO Cc1cc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928431061 637165696 /nfs/dbraw/zinc/16/56/96/637165696.db2.gz BDCHDOQTOPKTQO-JOYOIKCWSA-N 1 1 311.769 2.379 20 5 DEBDMO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029177723 637303336 /nfs/dbraw/zinc/30/33/36/637303336.db2.gz AOALFZXTPNGXCA-GASCZTMLSA-N 1 1 303.362 2.180 20 5 DEBDMO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029177723 637303339 /nfs/dbraw/zinc/30/33/39/637303339.db2.gz AOALFZXTPNGXCA-GASCZTMLSA-N 1 1 303.362 2.180 20 5 DEBDMO COCC[N@@H+]1CC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000740006810 637770879 /nfs/dbraw/zinc/77/08/79/637770879.db2.gz OBYURSZHQUBZRL-ZDUSSCGKSA-N 1 1 313.785 2.059 20 5 DEBDMO COCC[N@H+]1CC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000740006810 637770887 /nfs/dbraw/zinc/77/08/87/637770887.db2.gz OBYURSZHQUBZRL-ZDUSSCGKSA-N 1 1 313.785 2.059 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC000895367705 637975532 /nfs/dbraw/zinc/97/55/32/637975532.db2.gz XLBQTDKMDPMPTG-MRXNPFEDSA-N 1 1 322.361 2.046 20 5 DEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895644726 638130862 /nfs/dbraw/zinc/13/08/62/638130862.db2.gz FJQGJMRAPYHTSH-ZYHUDNBSSA-N 1 1 302.252 2.180 20 5 DEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895644726 638130865 /nfs/dbraw/zinc/13/08/65/638130865.db2.gz FJQGJMRAPYHTSH-ZYHUDNBSSA-N 1 1 302.252 2.180 20 5 DEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895644724 638130973 /nfs/dbraw/zinc/13/09/73/638130973.db2.gz FJQGJMRAPYHTSH-JQWIXIFHSA-N 1 1 302.252 2.180 20 5 DEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895644724 638130975 /nfs/dbraw/zinc/13/09/75/638130975.db2.gz FJQGJMRAPYHTSH-JQWIXIFHSA-N 1 1 302.252 2.180 20 5 DEBDMO Cc1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cnc1F ZINC000895753119 638180921 /nfs/dbraw/zinc/18/09/21/638180921.db2.gz NJIDTOOKOWAPNY-INIZCTEOSA-N 1 1 319.336 2.435 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](C(C)(C)O)C2)c1[N+](=O)[O-] ZINC000895932701 638273379 /nfs/dbraw/zinc/27/33/79/638273379.db2.gz XWSSRYKCVAJNDF-GFCCVEGCSA-N 1 1 324.377 2.292 20 5 DEBDMO CCC(=O)N1CCC([N@@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000985188376 639132194 /nfs/dbraw/zinc/13/21/94/639132194.db2.gz DNYAOENEDSVKLB-UHFFFAOYSA-N 1 1 311.407 2.489 20 5 DEBDMO Cc1cn(C[N@H+]2CC[C@H](C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728709686 639292903 /nfs/dbraw/zinc/29/29/03/639292903.db2.gz WJTJALYMYSCXSI-LBPRGKRZSA-N 1 1 316.361 2.155 20 5 DEBDMO Cc1cn(C[N@@H+]2CC[C@H](C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728709686 639292913 /nfs/dbraw/zinc/29/29/13/639292913.db2.gz WJTJALYMYSCXSI-LBPRGKRZSA-N 1 1 316.361 2.155 20 5 DEBDMO Cc1cc(C(=O)OC[C@H]2C[N@H+](C(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000753951620 639365680 /nfs/dbraw/zinc/36/56/80/639365680.db2.gz XUANFMKOMHLQGS-CQSZACIVSA-N 1 1 322.361 2.169 20 5 DEBDMO Cc1cc(C(=O)OC[C@H]2C[N@@H+](C(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000753951620 639365683 /nfs/dbraw/zinc/36/56/83/639365683.db2.gz XUANFMKOMHLQGS-CQSZACIVSA-N 1 1 322.361 2.169 20 5 DEBDMO COCCCC[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000841692078 650541690 /nfs/dbraw/zinc/54/16/90/650541690.db2.gz OTWYKLOGJFBSIS-UHFFFAOYSA-N 1 1 319.365 2.169 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761098960 640270055 /nfs/dbraw/zinc/27/00/55/640270055.db2.gz XELNOYSJDOLLFM-MFKMUULPSA-N 1 1 305.334 2.026 20 5 DEBDMO COC[C@H]1CC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000761289742 640294871 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DEBDMO Cc1nn(C[N@H+]2CCCOC[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000772828115 641696666 /nfs/dbraw/zinc/69/66/66/641696666.db2.gz XTVGGZVADJXVRE-LLVKDONJSA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1nn(C[N@@H+]2CCCOC[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000772828115 641696669 /nfs/dbraw/zinc/69/66/69/641696669.db2.gz XTVGGZVADJXVRE-LLVKDONJSA-N 1 1 304.350 2.321 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000776274674 642151692 /nfs/dbraw/zinc/15/16/92/642151692.db2.gz BWQUJYWVWLRGHC-BFYDXBDKSA-N 1 1 320.389 2.377 20 5 DEBDMO C[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000900848153 642490877 /nfs/dbraw/zinc/49/08/77/642490877.db2.gz SFOQRCCBMIJYBV-QMMMGPOBSA-N 1 1 315.732 2.163 20 5 DEBDMO C[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000900848153 642490880 /nfs/dbraw/zinc/49/08/80/642490880.db2.gz SFOQRCCBMIJYBV-QMMMGPOBSA-N 1 1 315.732 2.163 20 5 DEBDMO Cc1cc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)nc(C)[nH+]1 ZINC000902169681 642946067 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O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000830218961 649411760 /nfs/dbraw/zinc/41/17/60/649411760.db2.gz AMXDQJLYWYDKIA-HZPDHXFCSA-N 1 1 306.362 2.129 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000830218961 649411763 /nfs/dbraw/zinc/41/17/63/649411763.db2.gz AMXDQJLYWYDKIA-HZPDHXFCSA-N 1 1 306.362 2.129 20 5 DEBDMO CON(C)C(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538810 649607677 /nfs/dbraw/zinc/60/76/77/649607677.db2.gz JGOSIIXQSNVICE-AWEZNQCLSA-N 1 1 321.377 2.184 20 5 DEBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CO)CC(C)(C)C ZINC000832093951 649674410 /nfs/dbraw/zinc/67/44/10/649674410.db2.gz JZMHTJOLWMYESO-GJZGRUSLSA-N 1 1 310.394 2.357 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832778734 649745043 /nfs/dbraw/zinc/74/50/43/649745043.db2.gz OWMQBIFOLOWDGA-CVEARBPZSA-N 1 1 307.394 2.043 20 5 DEBDMO CCOc1ccc(C(=O)OC[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000845810817 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317.389 2.035 20 5 DEBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000848528677 651467904 /nfs/dbraw/zinc/46/79/04/651467904.db2.gz OEMUXMYZBSJZRC-WWGRRREGSA-N 1 1 317.389 2.035 20 5 DEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1F)C2 ZINC000854735721 651547194 /nfs/dbraw/zinc/54/71/94/651547194.db2.gz VKFJMBMQYCPRQE-MRXNPFEDSA-N 1 1 321.352 2.292 20 5 DEBDMO CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000855364225 651684238 /nfs/dbraw/zinc/68/42/38/651684238.db2.gz ZJRDOTKDRLKIAH-WUKHSURWSA-N 1 1 303.362 2.161 20 5 DEBDMO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000852681085 652438161 /nfs/dbraw/zinc/43/81/61/652438161.db2.gz DJTJQIFCMKMSTP-LBPRGKRZSA-N 1 1 321.352 2.178 20 5 DEBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000852681085 652438164 /nfs/dbraw/zinc/43/81/64/652438164.db2.gz DJTJQIFCMKMSTP-LBPRGKRZSA-N 1 1 321.352 2.178 20 5 DEBDMO O=C1N(C[N@@H+]2CC[C@H]3C[C@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000853579412 652572052 /nfs/dbraw/zinc/57/20/52/652572052.db2.gz YKQZCHXABWMLDE-STQMWFEESA-N 1 1 316.361 2.136 20 5 DEBDMO O=C1N(C[N@H+]2CC[C@H]3C[C@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000853579412 652572056 /nfs/dbraw/zinc/57/20/56/652572056.db2.gz YKQZCHXABWMLDE-STQMWFEESA-N 1 1 316.361 2.136 20 5 DEBDMO Cc1noc(COC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000853898492 652618818 /nfs/dbraw/zinc/61/88/18/652618818.db2.gz DTRCTGCGLUKDOZ-LBPRGKRZSA-N 1 1 311.338 2.055 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000358908671 685366438 /nfs/dbraw/zinc/36/64/38/685366438.db2.gz TUHMTYNIPNDDJP-GFCCVEGCSA-N 1 1 318.381 2.237 20 5 DEBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000076665223 683945407 /nfs/dbraw/zinc/94/54/07/683945407.db2.gz YHHXBLHDTZWIBT-CYBMUJFWSA-N 1 1 304.325 2.453 20 5 DEBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000076665223 683945408 /nfs/dbraw/zinc/94/54/08/683945408.db2.gz YHHXBLHDTZWIBT-CYBMUJFWSA-N 1 1 304.325 2.453 20 5 DEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000129724851 684182097 /nfs/dbraw/zinc/18/20/97/684182097.db2.gz FNKWATQRKLPDJW-UHFFFAOYSA-N 1 1 320.324 2.449 20 5 DEBDMO Cc1c(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000929221811 693919131 /nfs/dbraw/zinc/91/91/31/693919131.db2.gz WMXYOIWBZCSQKZ-BXUZGUMPSA-N 1 1 304.350 2.071 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000246254695 685126635 /nfs/dbraw/zinc/12/66/35/685126635.db2.gz JWJNGFRUVMFUOF-MLGOLLRUSA-N 1 1 306.362 2.129 20 5 DEBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC[C@H]2CO)c1 ZINC000929522491 693972663 /nfs/dbraw/zinc/97/26/63/693972663.db2.gz YDQCYWGEWDSMOV-NSHDSACASA-N 1 1 315.167 2.314 20 5 DEBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@H]2CO)c1 ZINC000929522491 693972667 /nfs/dbraw/zinc/97/26/67/693972667.db2.gz YDQCYWGEWDSMOV-NSHDSACASA-N 1 1 315.167 2.314 20 5 DEBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000861343874 686049430 /nfs/dbraw/zinc/04/94/30/686049430.db2.gz KIBLMDPTCIQONG-GDBMZVCRSA-N 1 1 322.361 2.169 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861841379 686192026 /nfs/dbraw/zinc/19/20/26/686192026.db2.gz RUOAOKUYZOWCMK-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861841379 686192024 /nfs/dbraw/zinc/19/20/24/686192024.db2.gz RUOAOKUYZOWCMK-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CN1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1=O ZINC000862428646 686300673 /nfs/dbraw/zinc/30/06/73/686300673.db2.gz UENBQTHSGOTFJR-LLVKDONJSA-N 1 1 311.769 2.301 20 5 DEBDMO O=C(Cn1cc[nH+]c1C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000863386687 686489382 /nfs/dbraw/zinc/48/93/82/686489382.db2.gz YSTLXAGTXBXPEM-UHFFFAOYSA-N 1 1 304.281 2.447 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865480776 687228542 /nfs/dbraw/zinc/22/85/42/687228542.db2.gz QOBFIQXOCDXBAF-NSHDSACASA-N 1 1 311.357 2.370 20 5 DEBDMO C[C@](CO)([NH2+]Cc1ccc(F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000865705317 687307726 /nfs/dbraw/zinc/30/77/26/687307726.db2.gz NMKYJVOZTBPJFK-OAHLLOKOSA-N 1 1 305.309 2.126 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866042816 687419473 /nfs/dbraw/zinc/41/94/73/687419473.db2.gz FQVDEQIRZLBHQH-FZMZJTMJSA-N 1 1 323.368 2.075 20 5 DEBDMO COc1cc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])cc1C ZINC000866210141 687493434 /nfs/dbraw/zinc/49/34/34/687493434.db2.gz YIFGLMGTDXIRBW-STQMWFEESA-N 1 1 305.378 2.442 20 5 DEBDMO CC(C)[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@H+]1C ZINC000866219504 687497897 /nfs/dbraw/zinc/49/78/97/687497897.db2.gz PZSFDCIMTZFZPC-GFCCVEGCSA-N 1 1 303.366 2.019 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000866457602 687579762 /nfs/dbraw/zinc/57/97/62/687579762.db2.gz QXLVSNHFDXNXCW-CMPLNLGQSA-N 1 1 321.352 2.018 20 5 DEBDMO CCCN(CC(F)F)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942987 687843997 /nfs/dbraw/zinc/84/39/97/687843997.db2.gz ISUPCQUUHGWONC-AWEZNQCLSA-N 1 1 315.320 2.272 20 5 DEBDMO C[C@@H]1C[C@H](C)CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870854521 688668147 /nfs/dbraw/zinc/66/81/47/688668147.db2.gz IZIDOEKIFAJGJN-OZVIIMIRSA-N 1 1 305.378 2.273 20 5 DEBDMO CC(=O)c1cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000872780126 689091885 /nfs/dbraw/zinc/09/18/85/689091885.db2.gz JSCBNSZEAFHHQR-JKSUJKDBSA-N 1 1 303.362 2.470 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OCCC[NH+]1CCOCC1 ZINC000873438209 689243123 /nfs/dbraw/zinc/24/31/23/689243123.db2.gz FHJPRGGGNGHXAU-UHFFFAOYSA-N 1 1 322.361 2.091 20 5 DEBDMO C[N@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000875172600 689582980 /nfs/dbraw/zinc/58/29/80/689582980.db2.gz YBALZIRZWKOSJL-UHFFFAOYSA-N 1 1 320.393 2.221 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877154235 690032101 /nfs/dbraw/zinc/03/21/01/690032101.db2.gz NSBXVKNFEJFJDS-LLVKDONJSA-N 1 1 304.350 2.310 20 5 DEBDMO CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035704597 690155872 /nfs/dbraw/zinc/15/58/72/690155872.db2.gz SOLMFBKLFNRVSJ-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCOC1 ZINC000878167789 690333753 /nfs/dbraw/zinc/33/37/53/690333753.db2.gz JWYZNINHFVQBKS-LLVKDONJSA-N 1 1 318.333 2.113 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000878811278 690505159 /nfs/dbraw/zinc/50/51/59/690505159.db2.gz JMYKALRWRDCPFK-GFCCVEGCSA-N 1 1 300.309 2.221 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530539 690664074 /nfs/dbraw/zinc/66/40/74/690664074.db2.gz VJKHAHVANQHWER-QLFBSQMISA-N 1 1 318.373 2.233 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000879579051 690679254 /nfs/dbraw/zinc/67/92/54/690679254.db2.gz IXEFEIZTOZPCAN-ZUZCIYMTSA-N 1 1 311.332 2.399 20 5 DEBDMO COc1cc(C[NH2+][C@H](C)c2ccnn2C)c([N+](=O)[O-])cc1F ZINC000879687188 690706492 /nfs/dbraw/zinc/70/64/92/690706492.db2.gz PPGQOZZLTVFUIM-SECBINFHSA-N 1 1 308.313 2.327 20 5 DEBDMO CC(C)(O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000879963221 690768604 /nfs/dbraw/zinc/76/86/04/690768604.db2.gz YTVRBMGWXNKECI-GFCCVEGCSA-N 1 1 321.377 2.016 20 5 DEBDMO CC(C)(O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000879963221 690768608 /nfs/dbraw/zinc/76/86/08/690768608.db2.gz YTVRBMGWXNKECI-GFCCVEGCSA-N 1 1 321.377 2.016 20 5 DEBDMO COCC1([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000880187433 690834401 /nfs/dbraw/zinc/83/44/01/690834401.db2.gz FWKFOCULXSZMEP-UHFFFAOYSA-N 1 1 307.350 2.034 20 5 DEBDMO COCC1([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000880187433 690834403 /nfs/dbraw/zinc/83/44/03/690834403.db2.gz FWKFOCULXSZMEP-UHFFFAOYSA-N 1 1 307.350 2.034 20 5 DEBDMO O=[N+]([O-])c1ncccc1CN1CC[NH+](Cc2cccs2)CC1 ZINC000885946551 691968798 /nfs/dbraw/zinc/96/87/98/691968798.db2.gz LUTYGXVEKKTPPB-UHFFFAOYSA-N 1 1 318.402 2.369 20 5 DEBDMO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885972505 691974807 /nfs/dbraw/zinc/97/48/07/691974807.db2.gz DUFXAHRBCZWMTO-AWEZNQCLSA-N 1 1 320.393 2.118 20 5 DEBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885972505 691974809 /nfs/dbraw/zinc/97/48/09/691974809.db2.gz DUFXAHRBCZWMTO-AWEZNQCLSA-N 1 1 320.393 2.118 20 5 DEBDMO C[C@H](C[N@H+](C)Cc1cccnc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000886243167 692034199 /nfs/dbraw/zinc/03/41/99/692034199.db2.gz PUDSNYWBSGXBPK-LLVKDONJSA-N 1 1 309.366 2.399 20 5 DEBDMO C[C@H](C[N@@H+](C)Cc1cccnc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000886243167 692034202 /nfs/dbraw/zinc/03/42/02/692034202.db2.gz PUDSNYWBSGXBPK-LLVKDONJSA-N 1 1 309.366 2.399 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886822505 692201826 /nfs/dbraw/zinc/20/18/26/692201826.db2.gz QZEWEGMHDGGKLF-FVQBIDKESA-N 1 1 306.362 2.129 20 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ZINC001168369812 781587082 /nfs/dbraw/zinc/58/70/82/781587082.db2.gz NQUNTPRVLFJNHX-GFCCVEGCSA-N 1 1 316.361 2.351 20 5 DEBDMO O=[N+]([O-])c1cc2cc[nH]c2c(N[C@@H]2CCC[N@H+](C3COC3)C2)c1 ZINC001168369812 781587088 /nfs/dbraw/zinc/58/70/88/781587088.db2.gz NQUNTPRVLFJNHX-GFCCVEGCSA-N 1 1 316.361 2.351 20 5 DEBDMO CCOC(=O)C[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009105 785001652 /nfs/dbraw/zinc/00/16/52/785001652.db2.gz VMLLQYUAIXFRGV-JKSUJKDBSA-N 1 1 320.389 2.497 20 5 DEBDMO CCOC(=O)C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009105 785001659 /nfs/dbraw/zinc/00/16/59/785001659.db2.gz VMLLQYUAIXFRGV-JKSUJKDBSA-N 1 1 320.389 2.497 20 5 DEBDMO O=C1c2ccccc2[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169011671 785003401 /nfs/dbraw/zinc/00/34/01/785003401.db2.gz MBCJTSHTNKAYPV-MPTQWLOMSA-N 1 1 300.358 2.344 20 5 DEBDMO CN(CC[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001169010177 785003875 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ZRDCMBLRDVURDX-JSGCOSHPSA-N 1 1 318.373 2.277 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Oc3ccncc3)C2)C1 ZINC001169052455 785022669 /nfs/dbraw/zinc/02/26/69/785022669.db2.gz GBLANEKMZCEMTD-IJEWVQPXSA-N 1 1 305.378 2.370 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3cnc(C4CC4)nc3C2)C1 ZINC001169051312 785022709 /nfs/dbraw/zinc/02/27/09/785022709.db2.gz DBRAWZMVZYQMAL-FZMZJTMJSA-N 1 1 302.378 2.158 20 5 DEBDMO C[NH+](C)/C=C/c1cc(NCCn2cccc2)ncc1[N+](=O)[O-] ZINC001156303303 785168906 /nfs/dbraw/zinc/16/89/06/785168906.db2.gz UVZOXXJRNWJEGA-WEVVVXLNSA-N 1 1 301.350 2.436 20 5 DEBDMO CCOC(=O)CC[N@@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170346575 786930079 /nfs/dbraw/zinc/93/00/79/786930079.db2.gz ONQHKLBDUNWDRO-LBPRGKRZSA-N 1 1 324.377 2.419 20 5 DEBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[N@@H+]3CC[C@H]3C2)cnc1Cl ZINC001158426306 787668533 /nfs/dbraw/zinc/66/85/33/787668533.db2.gz XQUSTZKKXOAFEN-VIFPVBQESA-N 1 1 318.711 2.082 20 5 DEBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC[N@H+]3CC[C@H]3C2)cnc1Cl ZINC001158426306 787668537 /nfs/dbraw/zinc/66/85/37/787668537.db2.gz XQUSTZKKXOAFEN-VIFPVBQESA-N 1 1 318.711 2.082 20 5 DEBDMO Cc1cc(NC(=O)c2cc(C[NH+](C)C)on2)cc([N+](=O)[O-])c1 ZINC001134963031 789147316 /nfs/dbraw/zinc/14/73/16/789147316.db2.gz SEKCTQQYKINSBA-UHFFFAOYSA-N 1 1 304.306 2.205 20 5 DEBDMO CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072397623 790133016 /nfs/dbraw/zinc/13/30/16/790133016.db2.gz IPEHMMNVOJZWOU-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO CCOC(=O)C[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903876 793523644 /nfs/dbraw/zinc/52/36/44/793523644.db2.gz JBZXURHEUXYBMQ-AWEZNQCLSA-N 1 1 306.362 2.337 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CCN(C)C)c1F ZINC001173184671 793621648 /nfs/dbraw/zinc/62/16/48/793621648.db2.gz OBKRQVROXQDTHT-LLVKDONJSA-N 1 1 313.373 2.167 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)CCN(C)C)c1F ZINC001173184671 793621652 /nfs/dbraw/zinc/62/16/52/793621652.db2.gz OBKRQVROXQDTHT-LLVKDONJSA-N 1 1 313.373 2.167 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CC3(C2)CCOC3)c1F ZINC001173183829 793621847 /nfs/dbraw/zinc/62/18/47/793621847.db2.gz JSTLCXPPXOCCFV-LLVKDONJSA-N 1 1 324.352 2.396 20 5 DEBDMO COC(=O)[C@@]1(F)CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173224756 793641631 /nfs/dbraw/zinc/64/16/31/793641631.db2.gz GZKYCXYIJDVSFF-IAQYHMDHSA-N 1 1 310.325 2.113 20 5 DEBDMO COC(=O)[C@@]1(F)CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173224756 793641634 /nfs/dbraw/zinc/64/16/34/793641634.db2.gz GZKYCXYIJDVSFF-IAQYHMDHSA-N 1 1 310.325 2.113 20 5 DEBDMO CCOC(=O)[C@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173226151 793642563 /nfs/dbraw/zinc/64/25/63/793642563.db2.gz HYFZQNMPKJPLAI-OCCSQVGLSA-N 1 1 306.362 2.411 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001173238182 793655234 /nfs/dbraw/zinc/65/52/34/793655234.db2.gz OJIMLZDEDLGOIX-XJKSGUPXSA-N 1 1 317.389 2.223 20 5 DEBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1c[nH+]c2n1CCC2 ZINC001177740442 794740037 /nfs/dbraw/zinc/74/00/37/794740037.db2.gz NJQTTZDUZDZBIX-YVMONPNESA-N 1 1 312.329 2.067 20 5 DEBDMO C[C@H](C[NH+]1CCC(C)CC1)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120573307 795488510 /nfs/dbraw/zinc/48/85/10/795488510.db2.gz CAULDPOFCGPFSK-RHSMWYFYSA-N 1 1 321.421 2.338 20 5 DEBDMO Cc1nc(N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001120874897 795548839 /nfs/dbraw/zinc/54/88/39/795548839.db2.gz PCCUWUYGUJGIQS-NSHDSACASA-N 1 1 305.382 2.146 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC001121293279 795612702 /nfs/dbraw/zinc/61/27/02/795612702.db2.gz YMXKBKDZYZRRLZ-LOWVWBTDSA-N 1 1 323.780 2.318 20 5 DEBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3CC[C@H]3C2)c1 ZINC001158423984 798405533 /nfs/dbraw/zinc/40/55/33/798405533.db2.gz QMYOZJXLYCVECP-QMMMGPOBSA-N 1 1 318.711 2.082 20 5 DEBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3CC[C@H]3C2)c1 ZINC001158423984 798405538 /nfs/dbraw/zinc/40/55/38/798405538.db2.gz QMYOZJXLYCVECP-QMMMGPOBSA-N 1 1 318.711 2.082 20 5 DEBDMO C[N@H+]1CCC[C@](C)(Nc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001162341377 799066308 /nfs/dbraw/zinc/06/63/08/799066308.db2.gz LVDUBJCJBYIOBW-HNNXBMFYSA-N 1 1 301.350 2.434 20 5 DEBDMO C[NH+](C)/C=C/c1cc(N[C@@H]2CCOC[C@@H]2F)ncc1[N+](=O)[O-] ZINC001162347471 799067914 /nfs/dbraw/zinc/06/79/14/799067914.db2.gz COYDLPFVAUOQJN-UHOOHFNOSA-N 1 1 310.329 2.061 20 5 DEBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001163366321 799323574 /nfs/dbraw/zinc/32/35/74/799323574.db2.gz UMODYFOPBANSDS-YPMHNXCESA-N 1 1 308.382 2.067 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C(C)C ZINC000932729200 799913428 /nfs/dbraw/zinc/91/34/28/799913428.db2.gz XYUSOGSHLPPFSM-UHFFFAOYSA-N 1 1 311.407 2.387 20 5 DEBDMO O=C1N[C@@H](C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)CO1 ZINC000932783105 799932990 /nfs/dbraw/zinc/93/29/90/799932990.db2.gz YOKPQTDBHMFFNF-CYBMUJFWSA-N 1 1 323.324 2.054 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H]2CCOC2)cc1 ZINC000933669336 800155600 /nfs/dbraw/zinc/15/56/00/800155600.db2.gz FSPABWWSUDUNLO-ZBFHGGJFSA-N 1 1 306.362 2.222 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2C[C@H]2CCOC2)cc1 ZINC000933669336 800155603 /nfs/dbraw/zinc/15/56/03/800155603.db2.gz FSPABWWSUDUNLO-ZBFHGGJFSA-N 1 1 306.362 2.222 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000935215637 800597784 /nfs/dbraw/zinc/59/77/84/800597784.db2.gz XCLWWELIVOSGRV-KOZAUXTDSA-N 1 1 317.389 2.249 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935747951 800755949 /nfs/dbraw/zinc/75/59/49/800755949.db2.gz CASDZPSCEXKYDV-CVEARBPZSA-N 1 1 315.373 2.076 20 5 DEBDMO C[N@H+]1CC[C@H](Oc2cccc(Br)c2[N+](=O)[O-])C1 ZINC001230323883 801386873 /nfs/dbraw/zinc/38/68/73/801386873.db2.gz YBPCMCCYNFOIBC-QMMMGPOBSA-N 1 1 301.140 2.440 20 5 DEBDMO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2C[NH2+]CC2(F)F)c1 ZINC001218235023 802158595 /nfs/dbraw/zinc/15/85/95/802158595.db2.gz IUUFSVXHDFHFLK-SECBINFHSA-N 1 1 323.093 2.343 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CO[C@H]1CCc2[nH+]ccn2C1 ZINC001223107389 802766252 /nfs/dbraw/zinc/76/62/52/802766252.db2.gz KZXQQRDYHJLNCX-ZDUSSCGKSA-N 1 1 303.318 2.332 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CC[N@H+](C(C)C)C1 ZINC001223448116 802791308 /nfs/dbraw/zinc/79/13/08/802791308.db2.gz GDHSBYKJGFNIIU-CQSZACIVSA-N 1 1 322.361 2.381 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001225449312 802967612 /nfs/dbraw/zinc/96/76/12/802967612.db2.gz SYJGDILRZJIYTQ-PJXYFTJBSA-N 1 1 320.345 2.385 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001225594531 802987930 /nfs/dbraw/zinc/98/79/30/802987930.db2.gz PMZWYUNAMIVXPB-JTQLQIEISA-N 1 1 318.289 2.402 20 5 DEBDMO CC[N@H+]1CCC[C@@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227094572 803200474 /nfs/dbraw/zinc/20/04/74/803200474.db2.gz DQUSSOUFWVKYAB-LLVKDONJSA-N 1 1 318.333 2.107 20 5 DEBDMO CO[C@@H]1CC[N@H+](CCOc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001227999853 803304694 /nfs/dbraw/zinc/30/46/94/803304694.db2.gz FEUQDRGDZYDSEK-SNVBAGLBSA-N 1 1 300.742 2.348 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CCOc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001227999853 803304700 /nfs/dbraw/zinc/30/47/00/803304700.db2.gz FEUQDRGDZYDSEK-SNVBAGLBSA-N 1 1 300.742 2.348 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CC1(O)CCCC1)CC2 ZINC001330661013 1149239954 /nfs/dbraw/zinc/23/99/54/1149239954.db2.gz IFAMICWGPUMFPZ-MRXNPFEDSA-N 1 1 320.389 2.009 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)CC1(O)CCCC1)CC2 ZINC001330661013 1149239980 /nfs/dbraw/zinc/23/99/80/1149239980.db2.gz IFAMICWGPUMFPZ-MRXNPFEDSA-N 1 1 320.389 2.009 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC001344874920 1150848145 /nfs/dbraw/zinc/84/81/45/1150848145.db2.gz IWBVGHKETJVVAU-RISCZKNCSA-N 1 1 304.350 2.071 20 5 DEBDMO Cc1ncc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC001460599550 1058478444 /nfs/dbraw/zinc/47/84/44/1058478444.db2.gz DKTRBVFEESAPSE-QMMMGPOBSA-N 1 1 320.374 2.309 20 5 DEBDMO C[C@@]12CSC[C@@H]1C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001460903694 1058538242 /nfs/dbraw/zinc/53/82/42/1058538242.db2.gz YRCQZIHFYOXNNH-NWANDNLSSA-N 1 1 308.403 2.313 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@@]23CCOC3)cc1 ZINC001460959292 1058553538 /nfs/dbraw/zinc/55/35/38/1058553538.db2.gz MRBLFLXXMWJJDK-CVEARBPZSA-N 1 1 306.362 2.273 20 5 DEBDMO Nc1ccc(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cc1[N+](=O)[O-] ZINC001468695084 1059837451 /nfs/dbraw/zinc/83/74/51/1059837451.db2.gz SPRSOPOHWOIZFQ-DGCLKSJQSA-N 1 1 304.350 2.132 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001472029642 1060374779 /nfs/dbraw/zinc/37/47/79/1060374779.db2.gz SWMRPTFNVNYGNC-KKUMJFAQSA-N 1 1 317.389 2.155 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001628242384 1078293697 /nfs/dbraw/zinc/29/36/97/1078293697.db2.gz WYIMAMPIPMYFSS-STQMWFEESA-N 1 1 321.352 2.080 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001628242384 1078293701 /nfs/dbraw/zinc/29/37/01/1078293701.db2.gz WYIMAMPIPMYFSS-STQMWFEESA-N 1 1 321.352 2.080 20 5 DEBDMO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576761449 1066682125 /nfs/dbraw/zinc/68/21/25/1066682125.db2.gz ZMWHHOFNJYASQD-AZKPJATDSA-N 1 1 305.378 2.272 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001633278679 1078402296 /nfs/dbraw/zinc/40/22/96/1078402296.db2.gz MMXMWUIREKFKKG-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO CC[N@@H+]1CC[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001642005130 1078738456 /nfs/dbraw/zinc/73/84/56/1078738456.db2.gz VMNQITOVPRZUBU-SNVBAGLBSA-N 1 1 315.732 2.098 20 5 DEBDMO CC[N@H+]1CC[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001642005130 1078738464 /nfs/dbraw/zinc/73/84/64/1078738464.db2.gz VMNQITOVPRZUBU-SNVBAGLBSA-N 1 1 315.732 2.098 20 5 DEBDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1)C(N)=O ZINC001643139548 1078787055 /nfs/dbraw/zinc/78/70/55/1078787055.db2.gz BQNIOTZEVGJFJE-LBPRGKRZSA-N 1 1 320.393 2.103 20 5 DEBDMO C[C@H](Nc1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001515986972 1068908924 /nfs/dbraw/zinc/90/89/24/1068908924.db2.gz FQFZKWDBRHDJNL-GXFFZTMASA-N 1 1 312.801 2.294 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC001644824094 1078863871 /nfs/dbraw/zinc/86/38/71/1078863871.db2.gz CJPHTDANIIVZPC-ZIAGYGMSSA-N 1 1 321.352 2.351 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001645342187 1078896429 /nfs/dbraw/zinc/89/64/29/1078896429.db2.gz XMGLUKDWPAMLIT-HNNXBMFYSA-N 1 1 319.405 2.374 20 5 DEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](C3CCCC3)C2)c1 ZINC001648621213 1075002865 /nfs/dbraw/zinc/00/28/65/1075002865.db2.gz KTOLCEAUBSFGHN-ZBFHGGJFSA-N 1 1 322.409 2.054 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001558291736 1075087588 /nfs/dbraw/zinc/08/75/88/1075087588.db2.gz RBWMSRKFODXUHP-UHFFFAOYSA-N 1 1 302.334 2.092 20 5 DEBDMO CC/C(C)=C\C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001267680301 1079369112 /nfs/dbraw/zinc/36/91/12/1079369112.db2.gz JISBDSWYOKFLOH-JYRVWZFOSA-N 1 1 317.389 2.499 20 5 DEBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH2+]CC12CCCCC2 ZINC001580811752 1076000818 /nfs/dbraw/zinc/00/08/18/1076000818.db2.gz ICKSVSGNCWAOQQ-UHFFFAOYSA-N 1 1 319.361 2.049 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC001608182581 1077604402 /nfs/dbraw/zinc/60/44/02/1077604402.db2.gz LVYHKEQZECBQTF-NSHDSACASA-N 1 1 309.341 2.209 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@@H](c3ncccn3)C2)cc1[N+](=O)[O-] ZINC001655712316 1080014106 /nfs/dbraw/zinc/01/41/06/1080014106.db2.gz BXPRPOXEZQTOBV-CYBMUJFWSA-N 1 1 314.345 2.383 20 5 DEBDMO COc1ccc(CN[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001655872519 1080022433 /nfs/dbraw/zinc/02/24/33/1080022433.db2.gz XNSKWDBFRJIPBX-BXUZGUMPSA-N 1 1 305.378 2.176 20 5 DEBDMO COc1ccc(CN[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001655872519 1080022441 /nfs/dbraw/zinc/02/24/41/1080022441.db2.gz XNSKWDBFRJIPBX-BXUZGUMPSA-N 1 1 305.378 2.176 20 5 DEBDMO CCC[N@@H+](C)CC(=O)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107279692 1080705868 /nfs/dbraw/zinc/70/58/68/1080705868.db2.gz AHMITTLPQNKFCS-VOTSOKGWSA-N 1 1 320.393 2.021 20 5 DEBDMO C[N@H+](CCNC(=O)CC1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001663157998 1080712512 /nfs/dbraw/zinc/71/25/12/1080712512.db2.gz IWOQNOCNMRARSY-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO C[N@@H+](CCNC(=O)CC1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001663157998 1080712516 /nfs/dbraw/zinc/71/25/16/1080712516.db2.gz IWOQNOCNMRARSY-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO CC[N@@H+](C)CCC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107322598 1080721753 /nfs/dbraw/zinc/72/17/53/1080721753.db2.gz ZJPNSZKFVSGPDW-PLNGDYQASA-N 1 1 320.393 2.021 20 5 DEBDMO Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc(C)[nH+]1 ZINC001319360420 1140556286 /nfs/dbraw/zinc/55/62/86/1140556286.db2.gz GHQQNCBWWAHXTJ-UHFFFAOYSA-N 1 1 321.358 2.138 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246642124 1141020302 /nfs/dbraw/zinc/02/03/02/1141020302.db2.gz ZGYWTJBGKJXPQI-USXIJHARSA-N 1 1 301.390 2.278 20 5 DEBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001321393716 1141227034 /nfs/dbraw/zinc/22/70/34/1141227034.db2.gz HCZKMSQQAFVICG-NSHDSACASA-N 1 1 321.352 2.225 20 5 DEBDMO O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001321393716 1141227064 /nfs/dbraw/zinc/22/70/64/1141227064.db2.gz HCZKMSQQAFVICG-NSHDSACASA-N 1 1 321.352 2.225 20 5 DEBDMO CC(C)(CCc1nc2ccc(N3CCOCC3)cc2[nH]1)[N+](=O)[O-] ZINC001250597270 1142245185 /nfs/dbraw/zinc/24/51/85/1142245185.db2.gz NXUXGKQKXLEGBE-UHFFFAOYSA-N 1 1 318.377 2.387 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)[nH+]c(C)c2)c1 ZINC001337307313 1142725346 /nfs/dbraw/zinc/72/53/46/1142725346.db2.gz GEJFBUWYCHMUHJ-UHFFFAOYSA-N 1 1 301.302 2.289 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ccnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC001337433210 1142751872 /nfs/dbraw/zinc/75/18/72/1142751872.db2.gz XKUOEHFYGTVXEX-PEYYIBSZSA-N 1 1 312.373 2.317 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ncnc4cccc([N+](=O)[O-])c43)[C@H]2C1 ZINC001337430827 1142752197 /nfs/dbraw/zinc/75/21/97/1142752197.db2.gz GWYQSDNOEDXEAH-SRVKXCTJSA-N 1 1 313.361 2.290 20 5 DEBDMO COc1cccc(C(=O)Nc2cc(C)[nH+]c(C)c2)c1[N+](=O)[O-] ZINC001339128072 1142942793 /nfs/dbraw/zinc/94/27/93/1142942793.db2.gz PFKUCMASKHICIV-UHFFFAOYSA-N 1 1 301.302 2.289 20 5 DEBDMO NC1=C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC=C1 ZINC001254470009 1143129218 /nfs/dbraw/zinc/12/92/18/1143129218.db2.gz LWUZSPSZIIQTKH-UHFFFAOYSA-N 1 1 300.362 2.236 20 5 DEBDMO C[C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1C ZINC001254479716 1143136121 /nfs/dbraw/zinc/13/61/21/1143136121.db2.gz IWUQORUFZWXVJJ-CQSZACIVSA-N 1 1 318.421 2.200 20 5 DEBDMO CC[N@@H+](CCCC(=O)OC)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600215 1143273740 /nfs/dbraw/zinc/27/37/40/1143273740.db2.gz QRJGIQWAVXUZCR-OAHLLOKOSA-N 1 1 306.362 2.337 20 5 DEBDMO CC[N@@H+](C)C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606149 1143279223 /nfs/dbraw/zinc/27/92/23/1143279223.db2.gz FJJBVPDDSJYLKU-KRWDZBQOSA-N 1 1 303.406 2.478 20 5 DEBDMO Cc1noc([C@H]2CC[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254608019 1143279423 /nfs/dbraw/zinc/27/94/23/1143279423.db2.gz OLCXAGJDXZVFDM-WFASDCNBSA-N 1 1 314.345 2.243 20 5 DEBDMO O=c1[nH]ccc2c1CC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254606856 1143280125 /nfs/dbraw/zinc/28/01/25/1143280125.db2.gz IRFFOCFHSAHXTD-OAHLLOKOSA-N 1 1 311.341 2.221 20 5 DEBDMO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1CC[N@@H+](C)C1 ZINC001261745436 1144274321 /nfs/dbraw/zinc/27/43/21/1144274321.db2.gz IJRCBXVPTVDZQR-GFCCVEGCSA-N 1 1 309.341 2.290 20 5 DEBDMO CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001265710716 1144733299 /nfs/dbraw/zinc/73/32/99/1144733299.db2.gz SAWUYNMRDFUBBQ-QLPKVWCKSA-N 1 1 317.389 2.331 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353329206 1151824262 /nfs/dbraw/zinc/82/42/62/1151824262.db2.gz PCBMWTFNMSMPKA-UKRRQHHQSA-N 1 1 307.394 2.091 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353329206 1151824265 /nfs/dbraw/zinc/82/42/65/1151824265.db2.gz PCBMWTFNMSMPKA-UKRRQHHQSA-N 1 1 307.394 2.091 20 5 DEBDMO Cc1ccc(NCCNC(=O)c2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC001303956964 1147339879 /nfs/dbraw/zinc/33/98/79/1147339879.db2.gz VRFHVZKRVRZGFB-UHFFFAOYSA-N 1 1 300.318 2.140 20 5 DEBDMO CCC[N@@H+](CC)CCNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC001306985949 1147395953 /nfs/dbraw/zinc/39/59/53/1147395953.db2.gz BTVRGODCNWKHKI-UHFFFAOYSA-N 1 1 323.393 2.454 20 5 DEBDMO CN(C)C(=O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001308257804 1147461174 /nfs/dbraw/zinc/46/11/74/1147461174.db2.gz VKXMBUKBPXUTCY-UHFFFAOYSA-N 1 1 303.318 2.033 20 5 DEBDMO C[N@H+](CCNC(=O)C=C1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001480855425 1148258182 /nfs/dbraw/zinc/25/81/82/1148258182.db2.gz UNPLJEGWTHXCOK-UHFFFAOYSA-N 1 1 303.362 2.253 20 5 DEBDMO C[N@@H+](CCNC(=O)C=C1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001480855425 1148258205 /nfs/dbraw/zinc/25/82/05/1148258205.db2.gz UNPLJEGWTHXCOK-UHFFFAOYSA-N 1 1 303.362 2.253 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC1(O)CCCC1 ZINC000152214985 282137456 /nfs/dbraw/zinc/13/74/56/282137456.db2.gz FDCWXAUWENVNIM-UHFFFAOYSA-N 1 1 321.377 2.079 20 5 DEBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000315491258 231142294 /nfs/dbraw/zinc/14/22/94/231142294.db2.gz XCMSLYHJTZDWAY-SNVBAGLBSA-N 1 1 323.780 2.462 20 5 DEBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C)(O)CC2)cccc1[N+](=O)[O-] ZINC000177297499 282203306 /nfs/dbraw/zinc/20/33/06/282203306.db2.gz IJUKENHXNKBSTR-GFCCVEGCSA-N 1 1 321.377 2.077 20 5 DEBDMO CCSCC[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559141 185303517 /nfs/dbraw/zinc/30/35/17/185303517.db2.gz YGZDOZYMPNSSAV-GFCCVEGCSA-N 1 1 313.423 2.220 20 5 DEBDMO COc1cc(C[NH+]2CCC([C@H](C)O)CC2)c([N+](=O)[O-])cc1F ZINC000184213378 282248334 /nfs/dbraw/zinc/24/83/34/282248334.db2.gz JIIMKOKVNJYDFG-JTQLQIEISA-N 1 1 312.341 2.335 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000292343363 529811702 /nfs/dbraw/zinc/81/17/02/529811702.db2.gz UZDJXDAXOBENFB-HNNXBMFYSA-N 1 1 323.780 2.416 20 5 DEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413170786 529861927 /nfs/dbraw/zinc/86/19/27/529861927.db2.gz AFKJXNZNEFXFHG-GFCCVEGCSA-N 1 1 308.357 2.297 20 5 DEBDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000245588676 282399350 /nfs/dbraw/zinc/39/93/50/282399350.db2.gz NXRWBUBKALSUNB-VNHYZAJKSA-N 1 1 305.378 2.410 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000139147147 186020168 /nfs/dbraw/zinc/02/01/68/186020168.db2.gz YXNXACAGBWABFL-STQMWFEESA-N 1 1 321.377 2.341 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152465862 186076291 /nfs/dbraw/zinc/07/62/91/186076291.db2.gz KMDMGUVOQFUJTC-CYBMUJFWSA-N 1 1 307.394 2.377 20 5 DEBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000171968052 198018598 /nfs/dbraw/zinc/01/85/98/198018598.db2.gz BDLAUTLFYOIOIY-SNVBAGLBSA-N 1 1 319.386 2.491 20 5 DEBDMO CN(c1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+](C)C1 ZINC000287228471 219394198 /nfs/dbraw/zinc/39/41/98/219394198.db2.gz JDKBSPMRKLYXBP-SECBINFHSA-N 1 1 307.379 2.130 20 5 DEBDMO Cc1noc(CN2CC[N@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000595511862 358470601 /nfs/dbraw/zinc/47/06/01/358470601.db2.gz TVDXLAKEXUUZEH-UHFFFAOYSA-N 1 1 308.382 2.342 20 5 DEBDMO CC(C)(C)OCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664909 191212271 /nfs/dbraw/zinc/21/22/71/191212271.db2.gz SADWUTFCHBHMGT-GFCCVEGCSA-N 1 1 308.382 2.291 20 5 DEBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)O ZINC000173403200 198211573 /nfs/dbraw/zinc/21/15/73/198211573.db2.gz CPIRGQLEQSWCFK-UHFFFAOYSA-N 1 1 320.349 2.238 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](C2CC2)C2(CO)CCC2)cc1 ZINC000595534209 358475745 /nfs/dbraw/zinc/47/57/45/358475745.db2.gz QWNGOGOMGVSDJB-UHFFFAOYSA-N 1 1 306.362 2.353 20 5 DEBDMO CC[N@H+]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000595535314 358476197 /nfs/dbraw/zinc/47/61/97/358476197.db2.gz NCGWUAPHNVHMJQ-AWEZNQCLSA-N 1 1 307.394 2.390 20 5 DEBDMO C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000617700979 363228353 /nfs/dbraw/zinc/22/83/53/363228353.db2.gz UCNZJEPKEACGCC-CFVMTHIKSA-N 1 1 317.389 2.441 20 5 DEBDMO COc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1C ZINC000174845639 198392631 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CCC[N@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000598342524 359170732 /nfs/dbraw/zinc/17/07/32/359170732.db2.gz OGKYTJURZMPMLY-CQSZACIVSA-N 1 1 305.378 2.128 20 5 DEBDMO CCC(O)(CC)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599672588 359564762 /nfs/dbraw/zinc/56/47/62/359564762.db2.gz GYIZKKWXQUSXPF-LBPRGKRZSA-N 1 1 323.393 2.405 20 5 DEBDMO COc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(C)=O)cc1[N+](=O)[O-] ZINC000599704808 359580699 /nfs/dbraw/zinc/58/06/99/359580699.db2.gz UFRPYLLFWHRDAE-CQSZACIVSA-N 1 1 321.377 2.094 20 5 DEBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2CNC(C)=O)cc1[N+](=O)[O-] ZINC000599704808 359580703 /nfs/dbraw/zinc/58/07/03/359580703.db2.gz UFRPYLLFWHRDAE-CQSZACIVSA-N 1 1 321.377 2.094 20 5 DEBDMO CN1C[C@@H]([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CCC1=O ZINC000600179210 359678201 /nfs/dbraw/zinc/67/82/01/359678201.db2.gz VQMSVBZDSNAVNX-DYLGSBMWSA-N 1 1 303.362 2.161 20 5 DEBDMO CN(CCOCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000600771726 359825235 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O=[N+]([O-])c1ccc2[nH+]ccc(NCCSCCCO)c2c1 ZINC000601114119 359925383 /nfs/dbraw/zinc/92/53/83/359925383.db2.gz MAHVOYOWJKPYBG-UHFFFAOYSA-N 1 1 307.375 2.092 20 5 DEBDMO C[N@@H+](CC(=O)NCCc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000602131976 360278689 /nfs/dbraw/zinc/27/86/89/360278689.db2.gz NYXJZIYVFIXVGF-UHFFFAOYSA-N 1 1 307.394 2.231 20 5 DEBDMO C[C@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000602519086 360415144 /nfs/dbraw/zinc/41/51/44/360415144.db2.gz VIVADFMHBPBFLX-ZDUSSCGKSA-N 1 1 321.421 2.481 20 5 DEBDMO COc1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000602638726 360471772 /nfs/dbraw/zinc/47/17/72/360471772.db2.gz GWEDUCIJDGMZTJ-UHFFFAOYSA-N 1 1 323.378 2.094 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000602784606 360552769 /nfs/dbraw/zinc/55/27/69/360552769.db2.gz HUVIOQYKEHGSDL-GFCCVEGCSA-N 1 1 318.377 2.368 20 5 DEBDMO O=[N+]([O-])c1ccccc1Cn1cc(C[NH+]2CCCCC2)nn1 ZINC000603185874 360738475 /nfs/dbraw/zinc/73/84/75/360738475.db2.gz CQQBFUJWAXLDTL-UHFFFAOYSA-N 1 1 301.350 2.221 20 5 DEBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000271988421 209364281 /nfs/dbraw/zinc/36/42/81/209364281.db2.gz PLMYQLWELMQGJA-LBPRGKRZSA-N 1 1 316.361 2.173 20 5 DEBDMO O=[N+]([O-])c1cccc(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000603848744 360864574 /nfs/dbraw/zinc/86/45/74/360864574.db2.gz SXUTVALFITXUJL-KRWDZBQOSA-N 1 1 319.405 2.282 20 5 DEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000604476347 360908406 /nfs/dbraw/zinc/90/84/06/360908406.db2.gz UIWPQEBCLJINJA-ZIAGYGMSSA-N 1 1 318.377 2.021 20 5 DEBDMO Cc1cc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)ccc1F ZINC000444726735 238268633 /nfs/dbraw/zinc/26/86/33/238268633.db2.gz AZLGMTRMBWJVNE-UHFFFAOYSA-N 1 1 319.336 2.336 20 5 DEBDMO Cc1c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000609383558 361307827 /nfs/dbraw/zinc/30/78/27/361307827.db2.gz UBFPIWYBTRHLJN-ZDUSSCGKSA-N 1 1 303.362 2.117 20 5 DEBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609383603 361308318 /nfs/dbraw/zinc/30/83/18/361308318.db2.gz WESQJTQKYQBEHT-LBPRGKRZSA-N 1 1 323.780 2.462 20 5 DEBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000609383520 361308650 /nfs/dbraw/zinc/30/86/50/361308650.db2.gz RTHWTPCSESQMBR-LLVKDONJSA-N 1 1 323.780 2.462 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000610762484 361462300 /nfs/dbraw/zinc/46/23/00/361462300.db2.gz LHHNYNXQZPHQPR-YPMHNXCESA-N 1 1 317.345 2.377 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611087694 361524070 /nfs/dbraw/zinc/52/40/70/361524070.db2.gz DFLYUJDNCFWVCR-CYBMUJFWSA-N 1 1 319.405 2.425 20 5 DEBDMO CC[N@H+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611087694 361524074 /nfs/dbraw/zinc/52/40/74/361524074.db2.gz DFLYUJDNCFWVCR-CYBMUJFWSA-N 1 1 319.405 2.425 20 5 DEBDMO CC[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611087897 361524155 /nfs/dbraw/zinc/52/41/55/361524155.db2.gz QRKJTCYMMQNREY-CYBMUJFWSA-N 1 1 305.378 2.080 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000611087999 361526208 /nfs/dbraw/zinc/52/62/08/361526208.db2.gz XHBOOHNGSBIAJM-LBPRGKRZSA-N 1 1 305.378 2.323 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000611087999 361526209 /nfs/dbraw/zinc/52/62/09/361526209.db2.gz XHBOOHNGSBIAJM-LBPRGKRZSA-N 1 1 305.378 2.323 20 5 DEBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cocn1 ZINC000611473896 361605059 /nfs/dbraw/zinc/60/50/59/361605059.db2.gz BFDQORIVAWOXEZ-SNVBAGLBSA-N 1 1 304.306 2.090 20 5 DEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611714725 361666177 /nfs/dbraw/zinc/66/61/77/361666177.db2.gz YPLDSGBDYVSQHN-QWRGUYRKSA-N 1 1 301.350 2.067 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000619567141 363827808 /nfs/dbraw/zinc/82/78/08/363827808.db2.gz UVMREEHPQOYAAR-AWEZNQCLSA-N 1 1 305.378 2.080 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000619567152 363828002 /nfs/dbraw/zinc/82/80/02/363828002.db2.gz WIOJWDSGBPQDQO-AWEZNQCLSA-N 1 1 305.378 2.460 20 5 DEBDMO O=C1CCCN1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542883 243087924 /nfs/dbraw/zinc/08/79/24/243087924.db2.gz ANYKVKWJQRPDHW-HNNXBMFYSA-N 1 1 317.389 2.397 20 5 DEBDMO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451560828 243119247 /nfs/dbraw/zinc/11/92/47/243119247.db2.gz IIUSCHGIBBQJAL-SLEUVZQESA-N 1 1 321.377 2.279 20 5 DEBDMO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451560828 243119256 /nfs/dbraw/zinc/11/92/56/243119256.db2.gz IIUSCHGIBBQJAL-SLEUVZQESA-N 1 1 321.377 2.279 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(Cn3cncn3)CC2)c(F)c1 ZINC000275052817 212095963 /nfs/dbraw/zinc/09/59/63/212095963.db2.gz LUCQYHGARCTAHL-UHFFFAOYSA-N 1 1 319.340 2.238 20 5 DEBDMO Cn1cccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534842 193266007 /nfs/dbraw/zinc/26/60/07/193266007.db2.gz RWZFFVFQIJPKCF-GFCCVEGCSA-N 1 1 301.350 2.015 20 5 DEBDMO Cn1cccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534840 193266328 /nfs/dbraw/zinc/26/63/28/193266328.db2.gz RWZFFVFQIJPKCF-LBPRGKRZSA-N 1 1 301.350 2.015 20 5 DEBDMO C[C@@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264747756 204125584 /nfs/dbraw/zinc/12/55/84/204125584.db2.gz UIZNCRIXPHNXAQ-NWDGAFQWSA-N 1 1 321.377 2.015 20 5 DEBDMO C[N@@H+](CCOCCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000282879442 217296422 /nfs/dbraw/zinc/29/64/22/217296422.db2.gz YNRYPKKTJSKXMK-UHFFFAOYSA-N 1 1 320.345 2.296 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c1 ZINC000282895738 217308094 /nfs/dbraw/zinc/30/80/94/217308094.db2.gz SXTJDASFAGBQSK-VXGBXAGGSA-N 1 1 321.377 2.158 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000458155115 248171886 /nfs/dbraw/zinc/17/18/86/248171886.db2.gz AKKBWPWEZYIGCO-ZDUSSCGKSA-N 1 1 305.378 2.365 20 5 DEBDMO Cc1c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000458195140 248199102 /nfs/dbraw/zinc/19/91/02/248199102.db2.gz QPYGHGGDQCAGQU-CYBMUJFWSA-N 1 1 305.378 2.365 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492264132 249027152 /nfs/dbraw/zinc/02/71/52/249027152.db2.gz VNSURIRVBDKBJL-WACGGTQYSA-N 1 1 303.362 2.159 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492323249 249039511 /nfs/dbraw/zinc/03/95/11/249039511.db2.gz NEALEOSSFLUCCI-RYYBZQDPSA-N 1 1 303.362 2.159 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000493015636 249196804 /nfs/dbraw/zinc/19/68/04/249196804.db2.gz KLFNMPOSDCTXRA-HLRDLLSLSA-N 1 1 317.389 2.407 20 5 DEBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1F ZINC000159764260 197362958 /nfs/dbraw/zinc/36/29/58/197362958.db2.gz JCMSHOTZSVLBSP-UHFFFAOYSA-N 1 1 305.309 2.028 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1F ZINC000159764260 197362960 /nfs/dbraw/zinc/36/29/60/197362960.db2.gz JCMSHOTZSVLBSP-UHFFFAOYSA-N 1 1 305.309 2.028 20 5 DEBDMO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CC[N@H+]1C[C@@H](C)O ZINC000106102114 194186023 /nfs/dbraw/zinc/18/60/23/194186023.db2.gz GQDUJYKHDCNJIO-CJNGLKHVSA-N 1 1 321.421 2.180 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000110998375 194380217 /nfs/dbraw/zinc/38/02/17/194380217.db2.gz XLMOTRFFONKWTM-HNNXBMFYSA-N 1 1 305.378 2.128 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000269032666 207182549 /nfs/dbraw/zinc/18/25/49/207182549.db2.gz SPIYPEQTJJVYCT-ZFWWWQNUSA-N 1 1 317.389 2.460 20 5 DEBDMO CC[N@@H+](CC1CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000157925933 197227123 /nfs/dbraw/zinc/22/71/23/197227123.db2.gz XFBKWZHICGLCRY-HNNXBMFYSA-N 1 1 303.362 2.432 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCn1c[nH+]c(C)c1C ZINC000411269824 533137717 /nfs/dbraw/zinc/13/77/17/533137717.db2.gz OMZGLRZZJFEHDG-UHFFFAOYSA-N 1 1 318.333 2.446 20 5 DEBDMO Cc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000289786779 221227141 /nfs/dbraw/zinc/22/71/41/221227141.db2.gz RVTQXQCQZMJYCD-GOEBONIOSA-N 1 1 319.405 2.198 20 5 DEBDMO CC(C)[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000544071113 285330608 /nfs/dbraw/zinc/33/06/08/285330608.db2.gz OAQFABVJWWHKGO-AWEZNQCLSA-N 1 1 308.378 2.455 20 5 DEBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000120952590 195271017 /nfs/dbraw/zinc/27/10/17/195271017.db2.gz LBYBLZVVBYOIMN-STQMWFEESA-N 1 1 308.382 2.071 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000121569590 195307529 /nfs/dbraw/zinc/30/75/29/195307529.db2.gz WCASZWIKJQPDOZ-CQSZACIVSA-N 1 1 306.366 2.399 20 5 DEBDMO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000122038943 195393007 /nfs/dbraw/zinc/39/30/07/195393007.db2.gz JJSNVSQMZRBCIE-LBPRGKRZSA-N 1 1 305.378 2.365 20 5 DEBDMO COc1cccc(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000444366034 533418531 /nfs/dbraw/zinc/41/85/31/533418531.db2.gz VQTIETSPNQUCLO-LBPRGKRZSA-N 1 1 321.377 2.206 20 5 DEBDMO Cn1ccnc1[C@H]([NH2+]CC1(C)COC1)c1cccc([N+](=O)[O-])c1 ZINC000353519309 132981549 /nfs/dbraw/zinc/98/15/49/132981549.db2.gz MTHZTDADXVTGNS-CQSZACIVSA-N 1 1 316.361 2.044 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000357775273 133099547 /nfs/dbraw/zinc/09/95/47/133099547.db2.gz XHJSQPSPSFMBOK-TXEJJXNPSA-N 1 1 303.362 2.430 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000357775273 133099548 /nfs/dbraw/zinc/09/95/48/133099548.db2.gz XHJSQPSPSFMBOK-TXEJJXNPSA-N 1 1 303.362 2.430 20 5 DEBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccs1 ZINC000357924526 133109794 /nfs/dbraw/zinc/10/97/94/133109794.db2.gz OAGHBLMERZTVCG-UHFFFAOYSA-N 1 1 310.379 2.001 20 5 DEBDMO Cc1c(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000358106834 133121531 /nfs/dbraw/zinc/12/15/31/133121531.db2.gz KXMFTAKRGHRSBD-LBPRGKRZSA-N 1 1 322.409 2.431 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000359746138 133142052 /nfs/dbraw/zinc/14/20/52/133142052.db2.gz ULUVURWDSNPSMO-LBPRGKRZSA-N 1 1 323.393 2.454 20 5 DEBDMO CC(=O)c1ccc(N2CCC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000360465632 133183985 /nfs/dbraw/zinc/18/39/85/133183985.db2.gz GOFCJHHUNCUQOO-AWEZNQCLSA-N 1 1 303.362 2.472 20 5 DEBDMO Cc1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)oc1C ZINC000376480196 133296363 /nfs/dbraw/zinc/29/63/63/133296363.db2.gz XPLGFVRBMGHZEE-UHFFFAOYSA-N 1 1 305.338 2.233 20 5 DEBDMO Cc1ccc(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372877815 133368974 /nfs/dbraw/zinc/36/89/74/133368974.db2.gz BRMNDIHLYBLPRK-AWEZNQCLSA-N 1 1 318.421 2.484 20 5 DEBDMO Cc1ccc(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372877815 133368975 /nfs/dbraw/zinc/36/89/75/133368975.db2.gz BRMNDIHLYBLPRK-AWEZNQCLSA-N 1 1 318.421 2.484 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000563861160 292076665 /nfs/dbraw/zinc/07/66/65/292076665.db2.gz CAKWFLJLOVLMIZ-HOCLYGCPSA-N 1 1 321.421 2.401 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCC[N@H+]1CCCO ZINC000563861160 292076667 /nfs/dbraw/zinc/07/66/67/292076667.db2.gz CAKWFLJLOVLMIZ-HOCLYGCPSA-N 1 1 321.421 2.401 20 5 DEBDMO C[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000179158985 144871343 /nfs/dbraw/zinc/87/13/43/144871343.db2.gz CBADLFUDDBVCEX-NEPJUHHUSA-N 1 1 323.418 2.209 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246901786 145118594 /nfs/dbraw/zinc/11/85/94/145118594.db2.gz VOYFUPAEGGGZLE-BBRMVZONSA-N 1 1 306.362 2.475 20 5 DEBDMO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249476428 145185692 /nfs/dbraw/zinc/18/56/92/145185692.db2.gz VSXZUBPKRZZKBM-XNRPHZJLSA-N 1 1 308.378 2.455 20 5 DEBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000313861726 145355392 /nfs/dbraw/zinc/35/53/92/145355392.db2.gz MIDLFTOMFFKKLK-MRVPVSSYSA-N 1 1 305.363 2.248 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336696253 145397032 /nfs/dbraw/zinc/39/70/32/145397032.db2.gz ATEPIKOTEXBUBV-CQSZACIVSA-N 1 1 315.377 2.262 20 5 DEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346099718 146014854 /nfs/dbraw/zinc/01/48/54/146014854.db2.gz HTNUVGXECLGYPN-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CN(C)c1nccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000565218211 292148062 /nfs/dbraw/zinc/14/80/62/292148062.db2.gz MBZACDCWLNFROU-CQSZACIVSA-N 1 1 313.361 2.228 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000346358936 146067783 /nfs/dbraw/zinc/06/77/83/146067783.db2.gz HPLVFYVYPVAEPO-LBPRGKRZSA-N 1 1 306.366 2.461 20 5 DEBDMO C[C@H](CO)[N@H+]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000346661419 146119504 /nfs/dbraw/zinc/11/95/04/146119504.db2.gz VZPKFWDCENKPEG-ZIAGYGMSSA-N 1 1 307.394 2.044 20 5 DEBDMO COc1cc(CN2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000347091398 146193122 /nfs/dbraw/zinc/19/31/22/146193122.db2.gz FHUKPLIWXCMJSC-LLVKDONJSA-N 1 1 323.393 2.171 20 5 DEBDMO Cn1c(C(=O)N2CCC[N@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000349105835 146350282 /nfs/dbraw/zinc/35/02/82/146350282.db2.gz HUOUFLKLTPQTOJ-UHFFFAOYSA-N 1 1 320.393 2.024 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000358300088 147108979 /nfs/dbraw/zinc/10/89/79/147108979.db2.gz HEPBWAWNYYCNEJ-LBPRGKRZSA-N 1 1 323.393 2.454 20 5 DEBDMO COCC1(C)CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000358749295 147196329 /nfs/dbraw/zinc/19/63/29/147196329.db2.gz YKLBLEMYTJDOJI-UHFFFAOYSA-N 1 1 321.377 2.282 20 5 DEBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+]1CCCC[C@H]1C ZINC000344988441 404486689 /nfs/dbraw/zinc/48/66/89/404486689.db2.gz NKXWBFCGXHHQOY-VXGBXAGGSA-N 1 1 320.393 2.170 20 5 DEBDMO Cc1c(CC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000372179394 148178011 /nfs/dbraw/zinc/17/80/11/148178011.db2.gz CIEKJYVQFFUEAQ-HUUCEWRRSA-N 1 1 317.389 2.189 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000372202979 148181155 /nfs/dbraw/zinc/18/11/55/148181155.db2.gz DMCWGPVNJMQAQA-UHFFFAOYSA-N 1 1 306.362 2.366 20 5 DEBDMO CC1CC[NH+](CCn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000127142505 401722139 /nfs/dbraw/zinc/72/21/39/401722139.db2.gz JXKZWSRZSWLENF-UHFFFAOYSA-N 1 1 317.187 2.286 20 5 DEBDMO C[C@@H](O)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000111288520 401708423 /nfs/dbraw/zinc/70/84/23/401708423.db2.gz OIGJAASRFITGNB-LLVKDONJSA-N 1 1 322.361 2.054 20 5 DEBDMO CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000072595130 401711157 /nfs/dbraw/zinc/71/11/57/401711157.db2.gz BUIHCAICNMQNFF-CYBMUJFWSA-N 1 1 321.377 2.208 20 5 DEBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CC1 ZINC000112983838 401763276 /nfs/dbraw/zinc/76/32/76/401763276.db2.gz UXWOSJZDRXQYCJ-UHFFFAOYSA-N 1 1 303.362 2.216 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000030196619 401861676 /nfs/dbraw/zinc/86/16/76/401861676.db2.gz ITFYMBFXXCDIER-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087260160 401929920 /nfs/dbraw/zinc/92/99/20/401929920.db2.gz DLAQIEVSRCSFDE-CYBMUJFWSA-N 1 1 307.394 2.374 20 5 DEBDMO COc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000135525781 401943204 /nfs/dbraw/zinc/94/32/04/401943204.db2.gz PXJQVOVMVUXISL-SWLSCSKDSA-N 1 1 324.402 2.310 20 5 DEBDMO COc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000135525781 401943205 /nfs/dbraw/zinc/94/32/05/401943205.db2.gz PXJQVOVMVUXISL-SWLSCSKDSA-N 1 1 324.402 2.310 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000135555008 401945134 /nfs/dbraw/zinc/94/51/34/401945134.db2.gz XSIPQBBVAMPTFV-GJZGRUSLSA-N 1 1 324.402 2.180 20 5 DEBDMO COCC[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000122619179 402087126 /nfs/dbraw/zinc/08/71/26/402087126.db2.gz UDDCIPUJQDVDAJ-UHFFFAOYSA-N 1 1 302.762 2.023 20 5 DEBDMO O=C(C[N@H+]1CCC2(CCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000123179457 402114731 /nfs/dbraw/zinc/11/47/31/402114731.db2.gz DWZINQFQPIKUFH-UHFFFAOYSA-N 1 1 315.373 2.360 20 5 DEBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000123847497 402149717 /nfs/dbraw/zinc/14/97/17/402149717.db2.gz UCNFELODIDXRGZ-VFADXPBXSA-N 1 1 303.362 2.209 20 5 DEBDMO NC(=O)CC[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103481476 402190345 /nfs/dbraw/zinc/19/03/45/402190345.db2.gz NYQOEYGTTWBNQF-NSHDSACASA-N 1 1 309.341 2.211 20 5 DEBDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103481476 402190348 /nfs/dbraw/zinc/19/03/48/402190348.db2.gz NYQOEYGTTWBNQF-NSHDSACASA-N 1 1 309.341 2.211 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000153774922 402169700 /nfs/dbraw/zinc/16/97/00/402169700.db2.gz VLXOHRBBAQTADJ-UHFFFAOYSA-N 1 1 302.334 2.262 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000107886872 402242561 /nfs/dbraw/zinc/24/25/61/402242561.db2.gz XUCBWQVVESHZTH-FUEXJSSKSA-N 1 1 321.352 2.205 20 5 DEBDMO C[N@@H+](CCOc1ccc(Cl)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176193847 402288778 /nfs/dbraw/zinc/28/87/78/402288778.db2.gz COCVCDNCXOXDEW-UHFFFAOYSA-N 1 1 324.768 2.456 20 5 DEBDMO COc1ccc(CN2CC[N@@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000184741576 402296811 /nfs/dbraw/zinc/29/68/11/402296811.db2.gz YLFUMHXGTQCALG-HNNXBMFYSA-N 1 1 307.394 2.375 20 5 DEBDMO COc1c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)nn1C ZINC000159755426 402330378 /nfs/dbraw/zinc/33/03/78/402330378.db2.gz UJDIFHHDQLIRQV-JTQLQIEISA-N 1 1 304.350 2.496 20 5 DEBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000162283746 402415320 /nfs/dbraw/zinc/41/53/20/402415320.db2.gz SPGPIRNLXLIYGI-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000162290282 402415565 /nfs/dbraw/zinc/41/55/65/402415565.db2.gz VDNDNLJICMBIFO-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO COc1ccc(CN2CC[N@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000177769968 402434875 /nfs/dbraw/zinc/43/48/75/402434875.db2.gz SIYFBHJHSLYVBC-CQSZACIVSA-N 1 1 305.378 2.274 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCCOC1 ZINC000245498981 402466070 /nfs/dbraw/zinc/46/60/70/402466070.db2.gz XGVSKMKHDYROQU-QWHCGFSZSA-N 1 1 321.377 2.280 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC000178162105 402466810 /nfs/dbraw/zinc/46/68/10/402466810.db2.gz COPQVYNQAPFXPF-AWEZNQCLSA-N 1 1 308.382 2.067 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC1(O)CCOCC1 ZINC000189789154 402558671 /nfs/dbraw/zinc/55/86/71/402558671.db2.gz JCWSPARWBZXTOG-CYBMUJFWSA-N 1 1 308.378 2.438 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C2CCCC2)CC1 ZINC000247345658 402564495 /nfs/dbraw/zinc/56/44/95/402564495.db2.gz UJFMUPJUJCIKJM-UHFFFAOYSA-N 1 1 309.391 2.357 20 5 DEBDMO CNC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182778389 402715709 /nfs/dbraw/zinc/71/57/09/402715709.db2.gz YZCVXOZWUCIJCU-STQMWFEESA-N 1 1 305.378 2.422 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](OCCO)C1 ZINC000182791532 402716246 /nfs/dbraw/zinc/71/62/46/402716246.db2.gz UTPCDWADBTYUKH-ZFWWWQNUSA-N 1 1 308.378 2.438 20 5 DEBDMO C[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000255327607 402684164 /nfs/dbraw/zinc/68/41/64/402684164.db2.gz GBESNQZFSJRAIH-JSJZCHLLSA-N 1 1 303.362 2.207 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255342021 402684320 /nfs/dbraw/zinc/68/43/20/402684320.db2.gz BMPSLMXNLSEFSE-ASCRHOAZSA-N 1 1 305.378 2.455 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183635590 402784239 /nfs/dbraw/zinc/78/42/39/402784239.db2.gz WQHNVMZLVZHWBA-GFCCVEGCSA-N 1 1 321.381 2.185 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC[C@H]21 ZINC000278477245 402866604 /nfs/dbraw/zinc/86/66/04/402866604.db2.gz VAGIYHBMQSLFTG-IUODEOHRSA-N 1 1 316.405 2.483 20 5 DEBDMO COCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000264563185 402889938 /nfs/dbraw/zinc/88/99/38/402889938.db2.gz GADTYFIPJAMHKX-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO Cc1cc(NC(=O)NCC[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000280721129 403030128 /nfs/dbraw/zinc/03/01/28/403030128.db2.gz CWNGBMVGAIAUCV-UHFFFAOYSA-N 1 1 304.350 2.287 20 5 DEBDMO C[N@@H+](CCCNc1ncc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000273568474 403016155 /nfs/dbraw/zinc/01/61/55/403016155.db2.gz CXEFSKQFMMOCJJ-UHFFFAOYSA-N 1 1 301.350 2.319 20 5 DEBDMO Cc1c(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280269965 402981899 /nfs/dbraw/zinc/98/18/99/402981899.db2.gz CREZWDGWDDEINK-LRDDRELGSA-N 1 1 306.362 2.283 20 5 DEBDMO Cc1c(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280269965 402981900 /nfs/dbraw/zinc/98/19/00/402981900.db2.gz CREZWDGWDDEINK-LRDDRELGSA-N 1 1 306.362 2.283 20 5 DEBDMO COCCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000274293568 403042535 /nfs/dbraw/zinc/04/25/35/403042535.db2.gz ZULLYMWUDXIVRM-UHFFFAOYSA-N 1 1 324.768 2.381 20 5 DEBDMO CCC1(O)CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000274342872 403046244 /nfs/dbraw/zinc/04/62/44/403046244.db2.gz UYUJKUCHODLCJT-UHFFFAOYSA-N 1 1 312.341 2.479 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+](CC)C1CC1 ZINC000280950974 403053483 /nfs/dbraw/zinc/05/34/83/403053483.db2.gz MIIQNURAAWKBAA-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000268232106 403064757 /nfs/dbraw/zinc/06/47/57/403064757.db2.gz SMDZMNRJGWOVMG-TVQRCGJNSA-N 1 1 323.780 2.461 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000268262424 403068295 /nfs/dbraw/zinc/06/82/95/403068295.db2.gz RRYJETJOKLDCOU-GFCCVEGCSA-N 1 1 320.393 2.084 20 5 DEBDMO CC[N@@H+](CCOCCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282071863 403119837 /nfs/dbraw/zinc/11/98/37/403119837.db2.gz NGHWAMDXKGEBMN-UHFFFAOYSA-N 1 1 302.758 2.079 20 5 DEBDMO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1)C1CC1 ZINC000283694312 403215832 /nfs/dbraw/zinc/21/58/32/403215832.db2.gz XJHPOZCEKCLVHK-UHFFFAOYSA-N 1 1 321.352 2.225 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C3OCCO3)C2)cc1F ZINC000283454257 403198768 /nfs/dbraw/zinc/19/87/68/403198768.db2.gz HNZSLZMBRCJMGG-LBPRGKRZSA-N 1 1 310.325 2.319 20 5 DEBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277813191 403259710 /nfs/dbraw/zinc/25/97/10/403259710.db2.gz HCRHQWYCLSCINQ-HNNXBMFYSA-N 1 1 317.389 2.270 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(Cc2noc(C[N@H+](C)C(C)C)n2)c1 ZINC000277910413 403270063 /nfs/dbraw/zinc/27/00/63/403270063.db2.gz MFPNWUHEKNYZPR-UHFFFAOYSA-N 1 1 320.349 2.417 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(Cc2noc(C[N@@H+](C)C(C)C)n2)c1 ZINC000277910413 403270065 /nfs/dbraw/zinc/27/00/65/403270065.db2.gz MFPNWUHEKNYZPR-UHFFFAOYSA-N 1 1 320.349 2.417 20 5 DEBDMO Cc1ccc(CNCCC[N@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277947866 403273518 /nfs/dbraw/zinc/27/35/18/403273518.db2.gz RHLBUHVEVWBLKZ-OAHLLOKOSA-N 1 1 321.421 2.494 20 5 DEBDMO Cc1ccc(C[NH2+]CCCN2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277947866 403273520 /nfs/dbraw/zinc/27/35/20/403273520.db2.gz RHLBUHVEVWBLKZ-OAHLLOKOSA-N 1 1 321.421 2.494 20 5 DEBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+](C2CCC2)C1 ZINC000292305304 403349565 /nfs/dbraw/zinc/34/95/65/403349565.db2.gz IFRJQSYJRBXAMZ-LLVKDONJSA-N 1 1 307.350 2.134 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292227611 403327621 /nfs/dbraw/zinc/32/76/21/403327621.db2.gz NHVMYKDCDWAUFK-MRXNPFEDSA-N 1 1 303.362 2.071 20 5 DEBDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000331287865 403370602 /nfs/dbraw/zinc/37/06/02/403370602.db2.gz ZDOLUGNDNBSHDU-GXTWGEPZSA-N 1 1 321.377 2.341 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000331287865 403370606 /nfs/dbraw/zinc/37/06/06/403370606.db2.gz ZDOLUGNDNBSHDU-GXTWGEPZSA-N 1 1 321.377 2.341 20 5 DEBDMO C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000331502401 403401156 /nfs/dbraw/zinc/40/11/56/403401156.db2.gz OBXZSFPNYUXTBK-HZSPNIEDSA-N 1 1 320.393 2.291 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339674543 403412997 /nfs/dbraw/zinc/41/29/97/403412997.db2.gz AWNCJIMVQSILIZ-GJZGRUSLSA-N 1 1 320.389 2.457 20 5 DEBDMO CCN1CC[NH+](CCCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286053440 403440057 /nfs/dbraw/zinc/44/00/57/403440057.db2.gz HYPYJNRARQFVRB-UHFFFAOYSA-N 1 1 310.373 2.173 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345727659 403457912 /nfs/dbraw/zinc/45/79/12/403457912.db2.gz ZUBYQVDBGDBDCO-STQMWFEESA-N 1 1 320.393 2.219 20 5 DEBDMO CC[N@H+]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286437729 403526059 /nfs/dbraw/zinc/52/60/59/403526059.db2.gz JDEQBTNBNXBXLO-ZDUSSCGKSA-N 1 1 323.393 2.008 20 5 DEBDMO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000286760749 403545089 /nfs/dbraw/zinc/54/50/89/403545089.db2.gz SJNFAUVCUYYDGH-NSHDSACASA-N 1 1 311.357 2.015 20 5 DEBDMO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000286760749 403545094 /nfs/dbraw/zinc/54/50/94/403545094.db2.gz SJNFAUVCUYYDGH-NSHDSACASA-N 1 1 311.357 2.015 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345880537 403519362 /nfs/dbraw/zinc/51/93/62/403519362.db2.gz QTXWGKHMXRVRPM-CYBMUJFWSA-N 1 1 322.409 2.318 20 5 DEBDMO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC[N@H+]1C ZINC000343441126 403592519 /nfs/dbraw/zinc/59/25/19/403592519.db2.gz BTCWLEOIAWREFZ-RNCFNFMXSA-N 1 1 311.769 2.461 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345978509 403557598 /nfs/dbraw/zinc/55/75/98/403557598.db2.gz JFYADARGSOGXNW-KBPBESRZSA-N 1 1 319.405 2.469 20 5 DEBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346258667 403581599 /nfs/dbraw/zinc/58/15/99/403581599.db2.gz KBJZVOLALXGDHA-ZENOOKHLSA-N 1 1 317.389 2.397 20 5 DEBDMO COc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000293944814 403605807 /nfs/dbraw/zinc/60/58/07/403605807.db2.gz JJXRIVQFJMBFDG-PHIMTYICSA-N 1 1 321.377 2.076 20 5 DEBDMO COc1cc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000293944814 403605811 /nfs/dbraw/zinc/60/58/11/403605811.db2.gz JJXRIVQFJMBFDG-PHIMTYICSA-N 1 1 321.377 2.076 20 5 DEBDMO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000293993911 403619207 /nfs/dbraw/zinc/61/92/07/403619207.db2.gz OEYPYKZAHPQQNX-TXEJJXNPSA-N 1 1 323.418 2.238 20 5 DEBDMO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000293993911 403619211 /nfs/dbraw/zinc/61/92/11/403619211.db2.gz OEYPYKZAHPQQNX-TXEJJXNPSA-N 1 1 323.418 2.238 20 5 DEBDMO CC[C@]1(C)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343531989 403625912 /nfs/dbraw/zinc/62/59/12/403625912.db2.gz DYEPWWJPLRNHIP-XJKSGUPXSA-N 1 1 308.378 2.457 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000343558071 403637187 /nfs/dbraw/zinc/63/71/87/403637187.db2.gz UIVMOVLHSHQHKK-ZDUSSCGKSA-N 1 1 321.377 2.208 20 5 DEBDMO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000343562629 403638932 /nfs/dbraw/zinc/63/89/32/403638932.db2.gz YZTLYTIHYWUTKN-UHFFFAOYSA-N 1 1 312.391 2.243 20 5 DEBDMO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000343562629 403638938 /nfs/dbraw/zinc/63/89/38/403638938.db2.gz YZTLYTIHYWUTKN-UHFFFAOYSA-N 1 1 312.391 2.243 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000294169295 403663844 /nfs/dbraw/zinc/66/38/44/403663844.db2.gz OLJMAVONLJRPAW-QGZVFWFLSA-N 1 1 317.389 2.461 20 5 DEBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347354047 403676895 /nfs/dbraw/zinc/67/68/95/403676895.db2.gz IEHMBLAHTJJRDQ-CQSZACIVSA-N 1 1 321.352 2.481 20 5 DEBDMO C[C@H]1C[C@H](O)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000340936483 403705404 /nfs/dbraw/zinc/70/54/04/403705404.db2.gz YSXHDJCEBQDEPT-FZMZJTMJSA-N 1 1 317.345 2.247 20 5 DEBDMO CC[N@@H+](CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000347284374 403648675 /nfs/dbraw/zinc/64/86/75/403648675.db2.gz LFOGLFJQULLIPS-UHFFFAOYSA-N 1 1 310.329 2.340 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)C(C)(C)O ZINC000295130358 403768977 /nfs/dbraw/zinc/76/89/77/403768977.db2.gz JTLUUTXHGLUJHG-LBPRGKRZSA-N 1 1 323.393 2.323 20 5 DEBDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340967380 403716991 /nfs/dbraw/zinc/71/69/91/403716991.db2.gz KVYZTYRAMWCTOD-YGRLFVJLSA-N 1 1 303.318 2.205 20 5 DEBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340967380 403716995 /nfs/dbraw/zinc/71/69/95/403716995.db2.gz KVYZTYRAMWCTOD-YGRLFVJLSA-N 1 1 303.318 2.205 20 5 DEBDMO C[C@H]1C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1C ZINC000347463408 403719534 /nfs/dbraw/zinc/71/95/34/403719534.db2.gz MLZHUELVVGWFLC-QWRGUYRKSA-N 1 1 301.350 2.433 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000341195825 403820612 /nfs/dbraw/zinc/82/06/12/403820612.db2.gz IJLVEKQLFNFPCF-GXTWGEPZSA-N 1 1 320.393 2.219 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344043485 403870211 /nfs/dbraw/zinc/87/02/11/403870211.db2.gz ITVSIKPEUQSYFT-GLQYFDAESA-N 1 1 306.362 2.196 20 5 DEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344171214 403956214 /nfs/dbraw/zinc/95/62/14/403956214.db2.gz DHPVNRQNXFOZAN-QWHCGFSZSA-N 1 1 307.325 2.091 20 5 DEBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000362949858 404020388 /nfs/dbraw/zinc/02/03/88/404020388.db2.gz UMJNGDJGYHEHKD-FZMZJTMJSA-N 1 1 305.378 2.144 20 5 DEBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000412048565 404087301 /nfs/dbraw/zinc/08/73/01/404087301.db2.gz QPYJJENZAPNZPQ-LOWVWBTDSA-N 1 1 324.352 2.335 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412033431 404071410 /nfs/dbraw/zinc/07/14/10/404071410.db2.gz CQHYCMGLIVVCEI-LNSITVRQSA-N 1 1 306.362 2.196 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412114841 404141572 /nfs/dbraw/zinc/14/15/72/404141572.db2.gz JONSNUIXIYFULI-UHOFOFEASA-N 1 1 317.389 2.251 20 5 DEBDMO C[C@H](NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000296297306 404184263 /nfs/dbraw/zinc/18/42/63/404184263.db2.gz KCFQLABFKXSVCX-XQQFMLRXSA-N 1 1 320.393 2.390 20 5 DEBDMO CS[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000296424173 404242619 /nfs/dbraw/zinc/24/26/19/404242619.db2.gz UZBBRYHTBRZFJY-MFKMUULPSA-N 1 1 309.391 2.359 20 5 DEBDMO CS[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000296424173 404242621 /nfs/dbraw/zinc/24/26/21/404242621.db2.gz UZBBRYHTBRZFJY-MFKMUULPSA-N 1 1 309.391 2.359 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000349980185 404284313 /nfs/dbraw/zinc/28/43/13/404284313.db2.gz ZAFWINOSUORFGG-MRXNPFEDSA-N 1 1 303.362 2.005 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)Cn1c[nH+]c2c1CCCC2 ZINC000296883207 404356965 /nfs/dbraw/zinc/35/69/65/404356965.db2.gz VCLZFVFCCNMTGD-GFCCVEGCSA-N 1 1 317.345 2.110 20 5 DEBDMO C[N@@H+](C[C@@H](O)COc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000290798809 404317441 /nfs/dbraw/zinc/31/74/41/404317441.db2.gz PGRHGDMUJHNURO-LLVKDONJSA-N 1 1 300.742 2.082 20 5 DEBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]CCc1n[nH]c(C)n1 ZINC000344804021 404379133 /nfs/dbraw/zinc/37/91/33/404379133.db2.gz BKMASLVQSCMHMW-DHZHZOJOSA-N 1 1 301.350 2.257 20 5 DEBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nnc(C)[nH]1 ZINC000344804021 404379139 /nfs/dbraw/zinc/37/91/39/404379139.db2.gz BKMASLVQSCMHMW-DHZHZOJOSA-N 1 1 301.350 2.257 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000373777552 404587446 /nfs/dbraw/zinc/58/74/46/404587446.db2.gz MWJKNCCMHZUJSK-OCCSQVGLSA-N 1 1 306.362 2.462 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352699205 404558188 /nfs/dbraw/zinc/55/81/88/404558188.db2.gz PHSLGNLIQDOOLX-CABCVRRESA-N 1 1 321.377 2.077 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000291905161 404573160 /nfs/dbraw/zinc/57/31/60/404573160.db2.gz PZAIYNYEFSJCJU-OAHLLOKOSA-N 1 1 322.340 2.293 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000342469665 404599309 /nfs/dbraw/zinc/59/93/09/404599309.db2.gz LVUIIAJYJLCXJF-LKFCYVNXSA-N 1 1 323.780 2.461 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000342469666 404599951 /nfs/dbraw/zinc/59/99/51/404599951.db2.gz LVUIIAJYJLCXJF-OTYXRUKQSA-N 1 1 323.780 2.461 20 5 DEBDMO CC[NH+]1CCC(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000356605879 404618071 /nfs/dbraw/zinc/61/80/71/404618071.db2.gz GFBFZYZVVJRZLY-UHFFFAOYSA-N 1 1 321.377 2.152 20 5 DEBDMO C[N@H+](CC[C@H]1CCCO1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342611288 404677621 /nfs/dbraw/zinc/67/76/21/404677621.db2.gz XKKFIPFECYHHNA-GFCCVEGCSA-N 1 1 307.350 2.034 20 5 DEBDMO C[N@@H+](CC[C@H]1CCCO1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342611288 404677626 /nfs/dbraw/zinc/67/76/26/404677626.db2.gz XKKFIPFECYHHNA-GFCCVEGCSA-N 1 1 307.350 2.034 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000357325115 404732840 /nfs/dbraw/zinc/73/28/40/404732840.db2.gz STQBOIMNBQXTML-LBPRGKRZSA-N 1 1 315.377 2.316 20 5 DEBDMO COC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000451201200 404900560 /nfs/dbraw/zinc/90/05/60/404900560.db2.gz LASUIJLKLFMQGA-BLLLJJGKSA-N 1 1 321.377 2.280 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000378399892 404953554 /nfs/dbraw/zinc/95/35/54/404953554.db2.gz IGTHGRGHMWMWQO-UHFFFAOYSA-N 1 1 315.377 2.178 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000353748946 404954553 /nfs/dbraw/zinc/95/45/53/404954553.db2.gz UEKXYBVTVALSAS-MRXNPFEDSA-N 1 1 303.362 2.005 20 5 DEBDMO CC(C)CC[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000361303473 405014804 /nfs/dbraw/zinc/01/48/04/405014804.db2.gz DAUZOAZADLBUBT-HIFRSBDPSA-N 1 1 322.409 2.273 20 5 DEBDMO CC1(C)C[C@@H](O)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000451803754 405044410 /nfs/dbraw/zinc/04/44/10/405044410.db2.gz RAQLLUBXNJZLQW-AWEZNQCLSA-N 1 1 308.378 2.457 20 5 DEBDMO CC1(C)C[C@H](O)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000451803755 405044429 /nfs/dbraw/zinc/04/44/29/405044429.db2.gz RAQLLUBXNJZLQW-CQSZACIVSA-N 1 1 308.378 2.457 20 5 DEBDMO Cc1c(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000408148192 405123977 /nfs/dbraw/zinc/12/39/77/405123977.db2.gz FXZNAGWZLGAXFY-VXGBXAGGSA-N 1 1 306.366 2.460 20 5 DEBDMO Cc1cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000408299127 405165409 /nfs/dbraw/zinc/16/54/09/405165409.db2.gz SGOSFRVMUXRUTH-NEPJUHHUSA-N 1 1 306.366 2.460 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000437060868 405181243 /nfs/dbraw/zinc/18/12/43/405181243.db2.gz FQXBVNRNQSXFDH-UHFFFAOYSA-N 1 1 320.324 2.401 20 5 DEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000367941999 405198912 /nfs/dbraw/zinc/19/89/12/405198912.db2.gz BCZDULUUQFEJRC-KBPBESRZSA-N 1 1 319.361 2.073 20 5 DEBDMO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000439290044 405273700 /nfs/dbraw/zinc/27/37/00/405273700.db2.gz SIMUDQCSCNLLGB-INIZCTEOSA-N 1 1 321.377 2.079 20 5 DEBDMO CC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000439290044 405273701 /nfs/dbraw/zinc/27/37/01/405273701.db2.gz SIMUDQCSCNLLGB-INIZCTEOSA-N 1 1 321.377 2.079 20 5 DEBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425555339 405302665 /nfs/dbraw/zinc/30/26/65/405302665.db2.gz XWHWRCMZGRYCEU-JTQLQIEISA-N 1 1 307.741 2.356 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000420958228 405415329 /nfs/dbraw/zinc/41/53/29/405415329.db2.gz BOQFECRQPPTIDC-AWEZNQCLSA-N 1 1 305.378 2.269 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)C[C@H]1CCC[N@H+]1C ZINC000420641002 405366438 /nfs/dbraw/zinc/36/64/38/405366438.db2.gz UDTVEDFLPDMLAU-GFCCVEGCSA-N 1 1 321.377 2.220 20 5 DEBDMO C[C@H]1CC[C@H]([N@@H+](CCO)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000429777107 405449183 /nfs/dbraw/zinc/44/91/83/405449183.db2.gz VCMUGTHPFJTLLI-KBPBESRZSA-N 1 1 308.378 2.457 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000421468967 405512615 /nfs/dbraw/zinc/51/26/15/405512615.db2.gz AQJHTVVRWCXJOH-CYBMUJFWSA-N 1 1 305.378 2.378 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1 ZINC000421715541 405611016 /nfs/dbraw/zinc/61/10/16/405611016.db2.gz YBYZNSYPSOXLTN-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493869056 405601341 /nfs/dbraw/zinc/60/13/41/405601341.db2.gz KJLHJNGFTKIFNZ-ALCCZGGFSA-N 1 1 309.341 2.204 20 5 DEBDMO CC[NH+]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000458889335 405642023 /nfs/dbraw/zinc/64/20/23/405642023.db2.gz NKPFPTISWFLCCU-LBPRGKRZSA-N 1 1 306.366 2.003 20 5 DEBDMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457079487 405682966 /nfs/dbraw/zinc/68/29/66/405682966.db2.gz FMCDCTZSHHXYOW-CQSZACIVSA-N 1 1 305.378 2.458 20 5 DEBDMO O=[N+]([O-])c1cccc2c(NCC[N@H+]3CCCOCC3)ccnc21 ZINC000432172970 405735024 /nfs/dbraw/zinc/73/50/24/405735024.db2.gz RHGJXPVDWWCTOT-UHFFFAOYSA-N 1 1 316.361 2.277 20 5 DEBDMO CC(C)C1CCC([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000433149929 405880397 /nfs/dbraw/zinc/88/03/97/405880397.db2.gz KIUDJYMLLPXBCF-XUJLQICISA-N 1 1 324.425 2.299 20 5 DEBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1nnc2ccccn21 ZINC000584182788 405845325 /nfs/dbraw/zinc/84/53/25/405845325.db2.gz KZOZNWINWUFGIG-ZDUSSCGKSA-N 1 1 309.329 2.415 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCN(OC)CC1 ZINC000459575053 405962824 /nfs/dbraw/zinc/96/28/24/405962824.db2.gz CSSDHSCQGLOKGV-UHFFFAOYSA-N 1 1 309.366 2.061 20 5 DEBDMO C[N@H+]1CC[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000532637649 406090419 /nfs/dbraw/zinc/09/04/19/406090419.db2.gz CZJFYIOMOBKPGQ-CYBMUJFWSA-N 1 1 303.362 2.038 20 5 DEBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488746044 406343498 /nfs/dbraw/zinc/34/34/98/406343498.db2.gz MDOSXQNVJHCENF-WCQYABFASA-N 1 1 317.345 2.453 20 5 DEBDMO C[C@H]1[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000488130591 406296801 /nfs/dbraw/zinc/29/68/01/406296801.db2.gz SSBWJYGSBCNVEA-WCQYABFASA-N 1 1 300.362 2.460 20 5 DEBDMO COc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000523072806 406417861 /nfs/dbraw/zinc/41/78/61/406417861.db2.gz BQTQCJUOHWVSME-GFCCVEGCSA-N 1 1 321.377 2.064 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000547760508 406442870 /nfs/dbraw/zinc/44/28/70/406442870.db2.gz GXFBLKYGANQMFB-SNVBAGLBSA-N 1 1 310.329 2.197 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000491913862 406776514 /nfs/dbraw/zinc/77/65/14/406776514.db2.gz KJLIABQPOPFEDV-CAMLPZEUSA-N 1 1 321.352 2.346 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000491942391 406784651 /nfs/dbraw/zinc/78/46/51/406784651.db2.gz VFKDFRCPQKLJMM-GPTAZTBJSA-N 1 1 303.362 2.207 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000554636809 406820023 /nfs/dbraw/zinc/82/00/23/406820023.db2.gz NRSOHOVKLOTXCQ-NSHDSACASA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000554636809 406820026 /nfs/dbraw/zinc/82/00/26/406820026.db2.gz NRSOHOVKLOTXCQ-NSHDSACASA-N 1 1 311.769 2.414 20 5 DEBDMO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000296687061 226124880 /nfs/dbraw/zinc/12/48/80/226124880.db2.gz JESYAVRAZOLGFG-CQSZACIVSA-N 1 1 319.405 2.390 20 5 DEBDMO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC000296780579 226223927 /nfs/dbraw/zinc/22/39/27/226223927.db2.gz ASDPTFTZXJRXCL-AGUYFDCRSA-N 1 1 303.362 2.258 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000291104133 222138955 /nfs/dbraw/zinc/13/89/55/222138955.db2.gz KTOOTCJGQMZETH-LLVKDONJSA-N 1 1 324.381 2.309 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357332218 424815863 /nfs/dbraw/zinc/81/58/63/424815863.db2.gz FKNNCSBWPPSPKL-GFCCVEGCSA-N 1 1 315.377 2.824 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596571746 425028321 /nfs/dbraw/zinc/02/83/21/425028321.db2.gz ZOWSJLBHOYNPMO-CQSZACIVSA-N 1 1 304.394 2.832 20 5 DEBDMO C[NH+]1CCC(CCO)(NC/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000351502503 425038225 /nfs/dbraw/zinc/03/82/25/425038225.db2.gz LXHOJVOXTKMLEA-GQCTYLIASA-N 1 1 319.405 2.044 20 5 DEBDMO CC(C)Oc1nc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000594566129 425013207 /nfs/dbraw/zinc/01/32/07/425013207.db2.gz AWPAWFFTCOLKQL-NWDGAFQWSA-N 1 1 320.393 2.814 20 5 DEBDMO CC(=O)NCC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505804191 269313079 /nfs/dbraw/zinc/31/30/79/269313079.db2.gz XQYOYIAFARGFKU-UHFFFAOYSA-N 1 1 309.341 2.082 20 5 DEBDMO C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1C ZINC000177879036 274303966 /nfs/dbraw/zinc/30/39/66/274303966.db2.gz SNHVWQOJEKHDJZ-LALPHHSUSA-N 1 1 303.362 2.430 20 5 DEBDMO CCN1CC[NH+]([C@@H]2CCN(c3ccc(C)cc3[N+](=O)[O-])C2)CC1 ZINC000267000168 276199008 /nfs/dbraw/zinc/19/90/08/276199008.db2.gz YFDXMYHUBHYSSX-OAHLLOKOSA-N 1 1 318.421 2.119 20 5 DEBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000366241051 276349961 /nfs/dbraw/zinc/34/99/61/276349961.db2.gz OHSTWOCIOSXUGL-QWHCGFSZSA-N 1 1 308.382 2.108 20 5 DEBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000366241051 276349962 /nfs/dbraw/zinc/34/99/62/276349962.db2.gz OHSTWOCIOSXUGL-QWHCGFSZSA-N 1 1 308.382 2.108 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC[C@@H]21 ZINC000278477255 277084510 /nfs/dbraw/zinc/08/45/10/277084510.db2.gz VAGIYHBMQSLFTG-WFASDCNBSA-N 1 1 316.405 2.483 20 5 DEBDMO COCC[N@H+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000266560117 277225436 /nfs/dbraw/zinc/22/54/36/277225436.db2.gz XBGRVXSYBNGPHA-KBPBESRZSA-N 1 1 307.394 2.308 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000055400483 279309514 /nfs/dbraw/zinc/30/95/14/279309514.db2.gz ZCOOZKGLZPLYAU-CHWSQXEVSA-N 1 1 305.378 2.445 20 5 DEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000295266150 280163710 /nfs/dbraw/zinc/16/37/10/280163710.db2.gz RRNUIOQOPSXTLF-ZDUSSCGKSA-N 1 1 315.732 2.022 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281498596 281021925 /nfs/dbraw/zinc/02/19/25/281021925.db2.gz XXTKYFCSDHUHDM-ZOWXZIJZSA-N 1 1 319.361 2.395 20 5 DEBDMO Cc1cc(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001350073089 1151322203 /nfs/dbraw/zinc/32/22/03/1151322203.db2.gz LYWMFLAXVCQOIG-FPMFFAJLSA-N 1 1 318.377 2.365 20 5 DEBDMO CC1(C)CC[N@@H+](CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000573861737 326099798 /nfs/dbraw/zinc/09/97/98/326099798.db2.gz PXACEPGJGBVMKW-UHFFFAOYSA-N 1 1 317.389 2.211 20 5 DEBDMO C[C@H](C(=O)N1CC[N@@H+](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000584444493 337326291 /nfs/dbraw/zinc/32/62/91/337326291.db2.gz NBDQFMLRFJYWLD-STQMWFEESA-N 1 1 305.378 2.251 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000368230574 527489397 /nfs/dbraw/zinc/48/93/97/527489397.db2.gz DUKVZKMSUDPDGF-NFAWXSAZSA-N 1 1 322.409 2.234 20 5 DEBDMO CCn1cc(CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000348269212 536042883 /nfs/dbraw/zinc/04/28/83/536042883.db2.gz GDJQZJQQDGMLGF-UHFFFAOYSA-N 1 1 300.362 2.412 20 5 DEBDMO C[N@H+]1CCCC12CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000377249200 536352593 /nfs/dbraw/zinc/35/25/93/536352593.db2.gz JNHUQQDSBMANIP-UHFFFAOYSA-N 1 1 317.389 2.224 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247936427 536379948 /nfs/dbraw/zinc/37/99/48/536379948.db2.gz CMVVOPIXNTYFHW-TZMCWYRMSA-N 1 1 303.362 2.151 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001355252880 1151995846 /nfs/dbraw/zinc/99/58/46/1151995846.db2.gz OIVJRGPQCHZPDZ-XHDPSFHLSA-N 1 1 320.349 2.424 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N(C)CC[C@H]1CCCC[N@H+]1C ZINC000892695143 625405962 /nfs/dbraw/zinc/40/59/62/625405962.db2.gz GOSXHWQWFGTBKY-GFCCVEGCSA-N 1 1 308.382 2.309 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC000891144915 623641775 /nfs/dbraw/zinc/64/17/75/623641775.db2.gz JAGCEVOGTKHUBJ-QGZVFWFLSA-N 1 1 317.389 2.379 20 5 DEBDMO Cn1cc(C[NH2+][C@]2(C)CCOc3ccccc32)c([N+](=O)[O-])n1 ZINC000933368513 624189615 /nfs/dbraw/zinc/18/96/15/624189615.db2.gz FSTRGWBKZCVBAN-OAHLLOKOSA-N 1 1 302.334 2.116 20 5 DEBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000176230233 624707702 /nfs/dbraw/zinc/70/77/02/624707702.db2.gz BJWRVEPSZUXVFQ-NSHDSACASA-N 1 1 309.341 2.114 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892144173 624795673 /nfs/dbraw/zinc/79/56/73/624795673.db2.gz LRORCZKYEDRODQ-GFCCVEGCSA-N 1 1 323.393 2.083 20 5 DEBDMO COc1c(O)ccc(CNCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892572476 625158268 /nfs/dbraw/zinc/15/82/68/625158268.db2.gz JGKDRMFTVTYPQP-GFCCVEGCSA-N 1 1 323.393 2.273 20 5 DEBDMO COc1c(O)ccc(C[NH2+]CCN2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892572476 625158270 /nfs/dbraw/zinc/15/82/70/625158270.db2.gz JGKDRMFTVTYPQP-GFCCVEGCSA-N 1 1 323.393 2.273 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C[C@@H]21 ZINC000836600186 650110558 /nfs/dbraw/zinc/11/05/58/650110558.db2.gz SLCUZQQAEVLUDH-SKDRFNHKSA-N 1 1 324.768 2.416 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1Cl ZINC000836790375 650129952 /nfs/dbraw/zinc/12/99/52/650129952.db2.gz LBDGXJZRXXJLDH-YGRLFVJLSA-N 1 1 323.780 2.333 20 5 DEBDMO Cc1nn(C)c(C(=O)OC[C@H]2CCCC[N@@H+]2C(C)C)c1[N+](=O)[O-] ZINC000837465720 650202047 /nfs/dbraw/zinc/20/20/47/650202047.db2.gz RETKHSXJUVEROD-GFCCVEGCSA-N 1 1 324.381 2.056 20 5 DEBDMO C[C@@H](NC(=O)NCC[N@H+]1CCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000894016406 636092938 /nfs/dbraw/zinc/09/29/38/636092938.db2.gz QWLNJEKIRTYKMG-CHWSQXEVSA-N 1 1 320.393 2.439 20 5 DEBDMO Cc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cnc1F ZINC000894080137 636108220 /nfs/dbraw/zinc/10/82/20/636108220.db2.gz SGFATBFZAYYPBT-UHFFFAOYSA-N 1 1 319.340 2.471 20 5 DEBDMO CN(C)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237101251 636469985 /nfs/dbraw/zinc/46/99/85/636469985.db2.gz IENULFPNIMGXSH-UHFFFAOYSA-N 1 1 317.393 2.037 20 5 DEBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000108305099 636578299 /nfs/dbraw/zinc/57/82/99/636578299.db2.gz ZWJHYYQLCDQFPZ-GFCCVEGCSA-N 1 1 323.780 2.462 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000923270697 637071441 /nfs/dbraw/zinc/07/14/41/637071441.db2.gz XHWDFZWROVPPKD-CMPLNLGQSA-N 1 1 307.325 2.043 20 5 DEBDMO CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923414720 637167803 /nfs/dbraw/zinc/16/78/03/637167803.db2.gz NIKWTBBROKPIAU-NVXWUHKLSA-N 1 1 321.421 2.325 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500902 637217645 /nfs/dbraw/zinc/21/76/45/637217645.db2.gz ROTZEGKHUXADEP-OLZOCXBDSA-N 1 1 307.394 2.410 20 5 DEBDMO C[C@H]1[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928435397 637228867 /nfs/dbraw/zinc/22/88/67/637228867.db2.gz RWYYDNBMNCQMNV-AAEUAGOBSA-N 1 1 305.378 2.081 20 5 DEBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000737742403 637362080 /nfs/dbraw/zinc/36/20/80/637362080.db2.gz JXFRRGGXTWJJGP-CQSZACIVSA-N 1 1 309.341 2.146 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000737742403 637362083 /nfs/dbraw/zinc/36/20/83/637362083.db2.gz JXFRRGGXTWJJGP-CQSZACIVSA-N 1 1 309.341 2.146 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2Cc3c[nH+]cn3C2)cc1OC(F)F ZINC000894996619 637369644 /nfs/dbraw/zinc/36/96/44/637369644.db2.gz NMSJNACNRMJQTR-VIFPVBQESA-N 1 1 310.260 2.430 20 5 DEBDMO C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895245946 637846427 /nfs/dbraw/zinc/84/64/27/637846427.db2.gz KDVFHNJYWREKHV-IINYFYTJSA-N 1 1 312.801 2.294 20 5 DEBDMO Cc1nc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)ccc1[N+](=O)[O-] ZINC000895565988 638091667 /nfs/dbraw/zinc/09/16/67/638091667.db2.gz GKYAFFBRBPMVJC-AAEUAGOBSA-N 1 1 308.407 2.290 20 5 DEBDMO Cc1cc(NC[C@H]2C[N@H+](C)CCN2C)c(Cl)cc1[N+](=O)[O-] ZINC000747218505 638418757 /nfs/dbraw/zinc/41/87/57/638418757.db2.gz YKHWHSGSBKQJCY-NSHDSACASA-N 1 1 312.801 2.214 20 5 DEBDMO C[C@@H](NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000896611567 638603919 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/nfs/dbraw/zinc/72/02/32/648720232.db2.gz VGQKRHZANXMANO-CQSZACIVSA-N 1 1 314.345 2.018 20 5 DEBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000827142508 648980710 /nfs/dbraw/zinc/98/07/10/648980710.db2.gz JBVAQOZUTFAOCT-AWEZNQCLSA-N 1 1 313.442 2.306 20 5 DEBDMO C[C@H](C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000827266343 649005005 /nfs/dbraw/zinc/00/50/05/649005005.db2.gz KBBZRLNHJUFMSZ-JGGQBBKZSA-N 1 1 317.389 2.251 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000827311318 649012449 /nfs/dbraw/zinc/01/24/49/649012449.db2.gz OQVVNZFVDSUJBK-JSGCOSHPSA-N 1 1 303.362 2.069 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827327389 649015095 /nfs/dbraw/zinc/01/50/95/649015095.db2.gz BBDXNTUYQJYVON-WFASDCNBSA-N 1 1 303.362 2.069 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000827371886 649025206 /nfs/dbraw/zinc/02/52/06/649025206.db2.gz AAKWGGREATWJMF-TZPOZWHTSA-N 1 1 315.373 2.161 20 5 DEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCC[N@H+]1CCCO ZINC000828420596 649176601 /nfs/dbraw/zinc/17/66/01/649176601.db2.gz GCYDVLLFGDRCKF-CQSZACIVSA-N 1 1 321.377 2.056 20 5 DEBDMO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000828466687 649182956 /nfs/dbraw/zinc/18/29/56/649182956.db2.gz UZUKSZBTTIFMMM-CQSZACIVSA-N 1 1 305.378 2.392 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000829450574 649308419 /nfs/dbraw/zinc/30/84/19/649308419.db2.gz TVHDQXQRVVKVQJ-NSHDSACASA-N 1 1 309.391 2.141 20 5 DEBDMO C[C@H]([NH2+]CCCNC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000830166867 649403066 /nfs/dbraw/zinc/40/30/66/649403066.db2.gz AFLZSMAJMBWDQE-VIFPVBQESA-N 1 1 319.283 2.314 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000830219307 649411583 /nfs/dbraw/zinc/41/15/83/649411583.db2.gz NRUFMPOHVKXPRT-HOTGVXAUSA-N 1 1 306.362 2.129 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000830219307 649411584 /nfs/dbraw/zinc/41/15/84/649411584.db2.gz NRUFMPOHVKXPRT-HOTGVXAUSA-N 1 1 306.362 2.129 20 5 DEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000844475983 651133848 /nfs/dbraw/zinc/13/38/48/651133848.db2.gz PRUAVCIBHOKSCT-UONOGXRCSA-N 1 1 322.336 2.365 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)OCC[C@@H]1CC[N@@H+](C)C1 ZINC000847821732 651420624 /nfs/dbraw/zinc/42/06/24/651420624.db2.gz LTUDDROJKWBJGA-NSHDSACASA-N 1 1 308.334 2.102 20 5 DEBDMO Cc1nn(C[N@@H+](C)CC2=CCCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000853562927 652569114 /nfs/dbraw/zinc/56/91/14/652569114.db2.gz ZKYUSIHVRBYTPO-UHFFFAOYSA-N 1 1 316.361 2.489 20 5 DEBDMO Cc1nn(C[N@H+](C)CC2=CCCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000853562927 652569115 /nfs/dbraw/zinc/56/91/15/652569115.db2.gz ZKYUSIHVRBYTPO-UHFFFAOYSA-N 1 1 316.361 2.489 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000853591961 652574863 /nfs/dbraw/zinc/57/48/63/652574863.db2.gz ZIEZEDHRVGEUHH-STQMWFEESA-N 1 1 316.361 2.179 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000853591959 652574915 /nfs/dbraw/zinc/57/49/15/652574915.db2.gz ZIEZEDHRVGEUHH-OLZOCXBDSA-N 1 1 316.361 2.179 20 5 DEBDMO Cc1noc(COC(=O)[C@H](C)[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000853898783 652618803 /nfs/dbraw/zinc/61/88/03/652618803.db2.gz HDUZQYXCAMIVMB-NSHDSACASA-N 1 1 311.338 2.199 20 5 DEBDMO CC[C@@H]([NH2+]C)c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000854142529 652646461 /nfs/dbraw/zinc/64/64/61/652646461.db2.gz QLJHENPCTUPZEX-SNVBAGLBSA-N 1 1 306.322 2.248 20 5 DEBDMO C[C@H]1[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000928454059 693785176 /nfs/dbraw/zinc/78/51/76/693785176.db2.gz KENGTONQXSFSSR-CABZTGNLSA-N 1 1 303.318 2.163 20 5 DEBDMO Cc1cc(F)cc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000133841498 684222944 /nfs/dbraw/zinc/22/29/44/684222944.db2.gz UYMAWJRZPXWURX-LBPRGKRZSA-N 1 1 323.368 2.456 20 5 DEBDMO CC(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000194719612 685074466 /nfs/dbraw/zinc/07/44/66/685074466.db2.gz OBENWVMUSCWAEK-UHFFFAOYSA-N 1 1 309.341 2.177 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC000859946112 685860295 /nfs/dbraw/zinc/86/02/95/685860295.db2.gz GLOZTJSFWMONMK-KRWDZBQOSA-N 1 1 314.341 2.392 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3c(O)cccc3C2)c1 ZINC000859946112 685860297 /nfs/dbraw/zinc/86/02/97/685860297.db2.gz GLOZTJSFWMONMK-KRWDZBQOSA-N 1 1 314.341 2.392 20 5 DEBDMO Cc1c[nH+]cn1CC(=O)O[C@H](c1ccccc1F)[C@@H](C)[N+](=O)[O-] ZINC000860854837 685968688 /nfs/dbraw/zinc/96/86/88/685968688.db2.gz KOHUPGVVRYQTGO-ABAIWWIYSA-N 1 1 321.308 2.280 20 5 DEBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000861345273 686049786 /nfs/dbraw/zinc/04/97/86/686049786.db2.gz RISDJGXVGUBGEZ-BBRMVZONSA-N 1 1 322.361 2.169 20 5 DEBDMO CC[NH2+][C@@H](C)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000863662171 686544376 /nfs/dbraw/zinc/54/43/76/686544376.db2.gz UYBROAMAMQXFCZ-JTQLQIEISA-N 1 1 305.338 2.303 20 5 DEBDMO CC[NH2+][C@@H](C)c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000863664030 686544977 /nfs/dbraw/zinc/54/49/77/686544977.db2.gz PTSLHMKVDUSTGJ-VIFPVBQESA-N 1 1 306.322 2.248 20 5 DEBDMO COC/C(C)=C/C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987018 694064841 /nfs/dbraw/zinc/06/48/41/694064841.db2.gz ITAPNQJNBPHAOM-YQJFHSMKSA-N 1 1 306.366 2.069 20 5 DEBDMO Cc1nc(C)c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000929990415 694065949 /nfs/dbraw/zinc/06/59/49/694065949.db2.gz VZNQJVRUPVEZOF-GFCCVEGCSA-N 1 1 316.365 2.016 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000865563899 687261046 /nfs/dbraw/zinc/26/10/46/687261046.db2.gz CPKJMKHQBALXFZ-QMMMGPOBSA-N 1 1 321.303 2.243 20 5 DEBDMO C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[N@@H+]1C ZINC000866098622 687444121 /nfs/dbraw/zinc/44/41/21/687444121.db2.gz XDIURHISIJTKER-CYBMUJFWSA-N 1 1 317.389 2.179 20 5 DEBDMO C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[N@H+]1C ZINC000866098622 687444125 /nfs/dbraw/zinc/44/41/25/687444125.db2.gz XDIURHISIJTKER-CYBMUJFWSA-N 1 1 317.389 2.179 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000866152235 687466814 /nfs/dbraw/zinc/46/68/14/687466814.db2.gz AOEGRHCPPYVMBU-BXUZGUMPSA-N 1 1 304.350 2.153 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000930316386 694134578 /nfs/dbraw/zinc/13/45/78/694134578.db2.gz NSNXTPRDEIZUOF-BETUJISGSA-N 1 1 318.377 2.237 20 5 DEBDMO CC[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867944820 687844668 /nfs/dbraw/zinc/84/46/68/687844668.db2.gz JIEHIRQOMAXMEJ-MLGOLLRUSA-N 1 1 305.378 2.417 20 5 DEBDMO Cc1ccc(CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000868372581 687994090 /nfs/dbraw/zinc/99/40/90/687994090.db2.gz YHEZZIPDZPBRIO-LBPRGKRZSA-N 1 1 320.393 2.185 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868423515 688009161 /nfs/dbraw/zinc/00/91/61/688009161.db2.gz KVZTXNGGXPLUAT-NSHDSACASA-N 1 1 311.357 2.121 20 5 DEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1[nH]nc2c1COCC2 ZINC000930442187 694163836 /nfs/dbraw/zinc/16/38/36/694163836.db2.gz VIRDVVCRXMLOSQ-UHFFFAOYSA-N 1 1 316.361 2.065 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1[nH]nc2c1COCC2 ZINC000930442187 694163839 /nfs/dbraw/zinc/16/38/39/694163839.db2.gz VIRDVVCRXMLOSQ-UHFFFAOYSA-N 1 1 316.361 2.065 20 5 DEBDMO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC000870896965 688681452 /nfs/dbraw/zinc/68/14/52/688681452.db2.gz VWAZWUAISIJRDX-HFAKWTLXSA-N 1 1 323.418 2.121 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cnnn1C ZINC000872069976 688921887 /nfs/dbraw/zinc/92/18/87/688921887.db2.gz AXDDOEQFGJMHOW-VIFPVBQESA-N 1 1 307.379 2.296 20 5 DEBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)C1=CCCC1 ZINC001031613648 688963798 /nfs/dbraw/zinc/96/37/98/688963798.db2.gz PVEMRKXNFFBYLW-UHFFFAOYSA-N 1 1 315.373 2.253 20 5 DEBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1CCC2(CCC2)C1=O ZINC000872604167 689045628 /nfs/dbraw/zinc/04/56/28/689045628.db2.gz BIFWIMWHXIDMPT-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1CCC2(CCC2)C1=O ZINC000872604167 689045630 /nfs/dbraw/zinc/04/56/30/689045630.db2.gz BIFWIMWHXIDMPT-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO O=C1OCC[C@H]1CCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000872701157 689068525 /nfs/dbraw/zinc/06/85/25/689068525.db2.gz MAZJPLBFPPGTSB-LLVKDONJSA-N 1 1 315.329 2.320 20 5 DEBDMO CC(C)Oc1nc(N2CC[C@@H]3[C@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000872779571 689090625 /nfs/dbraw/zinc/09/06/25/689090625.db2.gz RBTARDKMZGWMOT-CHWSQXEVSA-N 1 1 320.393 2.450 20 5 DEBDMO Cc1c(C[NH2+][C@@H](C)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000873107690 689159259 /nfs/dbraw/zinc/15/92/59/689159259.db2.gz XNYGCBUUPTYURC-AWEZNQCLSA-N 1 1 320.437 2.019 20 5 DEBDMO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000930912376 694270559 /nfs/dbraw/zinc/27/05/59/694270559.db2.gz BEPSHYJZHLTANS-NRUUGDAUSA-N 1 1 309.341 2.208 20 5 DEBDMO Cc1c(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874834455 689509199 /nfs/dbraw/zinc/50/91/99/689509199.db2.gz SDAGNRIHXZKPOO-CVEARBPZSA-N 1 1 317.389 2.141 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874835807 689510093 /nfs/dbraw/zinc/51/00/93/689510093.db2.gz AOQLYOSHTGAQQR-GJZGRUSLSA-N 1 1 303.362 2.212 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC000874845053 689515696 /nfs/dbraw/zinc/51/56/96/689515696.db2.gz UKDKEZAHERSBOV-GJZGRUSLSA-N 1 1 303.362 2.212 20 5 DEBDMO C[C@@H]1[C@@H](N(C)C)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000931037775 694299987 /nfs/dbraw/zinc/29/99/87/694299987.db2.gz JBFKCTJCKKTILF-CJNGLKHVSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@@H]1[C@@H](N(C)C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000931037775 694299990 /nfs/dbraw/zinc/29/99/90/694299990.db2.gz JBFKCTJCKKTILF-CJNGLKHVSA-N 1 1 307.394 2.388 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000876816255 689946515 /nfs/dbraw/zinc/94/65/15/689946515.db2.gz IMEHHBPXTQPSLK-CYBMUJFWSA-N 1 1 319.361 2.238 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000876816255 689946516 /nfs/dbraw/zinc/94/65/16/689946516.db2.gz IMEHHBPXTQPSLK-CYBMUJFWSA-N 1 1 319.361 2.238 20 5 DEBDMO C[C@]([NH3+])(C(=O)N1CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000877033075 690003018 /nfs/dbraw/zinc/00/30/18/690003018.db2.gz VOYQANXTQIWLCS-CYBMUJFWSA-N 1 1 313.304 2.026 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000877564153 690153739 /nfs/dbraw/zinc/15/37/39/690153739.db2.gz UANQGMHFXVPGJZ-CQSZACIVSA-N 1 1 300.305 2.414 20 5 DEBDMO Cc1c(C[N@H+]2CC[C@H](Nc3ncccn3)C2)cccc1[N+](=O)[O-] ZINC000877603707 690164839 /nfs/dbraw/zinc/16/48/39/690164839.db2.gz TVWJFAVWNQRGKU-AWEZNQCLSA-N 1 1 313.361 2.380 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000931262350 694351271 /nfs/dbraw/zinc/35/12/71/694351271.db2.gz UFHIAYHTIPELQZ-PWSUYJOCSA-N 1 1 322.365 2.208 20 5 DEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1(O)CCCCC1 ZINC000877916776 690259843 /nfs/dbraw/zinc/25/98/43/690259843.db2.gz KBIQAGMORBCPDI-HNNXBMFYSA-N 1 1 322.405 2.473 20 5 DEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1(O)CCCCC1 ZINC000877916776 690259845 /nfs/dbraw/zinc/25/98/45/690259845.db2.gz KBIQAGMORBCPDI-HNNXBMFYSA-N 1 1 322.405 2.473 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2c(F)cccc2C1 ZINC000878303458 690373734 /nfs/dbraw/zinc/37/37/34/690373734.db2.gz RQMIIHMWXKDXBJ-UHFFFAOYSA-N 1 1 304.325 2.297 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2c(F)cccc2C1 ZINC000878303458 690373737 /nfs/dbraw/zinc/37/37/37/690373737.db2.gz RQMIIHMWXKDXBJ-UHFFFAOYSA-N 1 1 304.325 2.297 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)CC1(O)CCCC1 ZINC000878599174 690450957 /nfs/dbraw/zinc/45/09/57/690450957.db2.gz VODQASPFSSERTF-OAHLLOKOSA-N 1 1 322.405 2.125 20 5 DEBDMO CO[C@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000879258635 690604893 /nfs/dbraw/zinc/60/48/93/690604893.db2.gz GQSUNTPWBZDKKO-OCCSQVGLSA-N 1 1 314.769 2.220 20 5 DEBDMO CO[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000879258635 690604896 /nfs/dbraw/zinc/60/48/96/690604896.db2.gz GQSUNTPWBZDKKO-OCCSQVGLSA-N 1 1 314.769 2.220 20 5 DEBDMO CO[C@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000879322426 690619344 /nfs/dbraw/zinc/61/93/44/690619344.db2.gz SUANVWBUHDAQIJ-WFASDCNBSA-N 1 1 321.377 2.423 20 5 DEBDMO NC(=O)[C@@H](C1CC1)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CC1 ZINC000879487087 690651843 /nfs/dbraw/zinc/65/18/43/690651843.db2.gz UINBTWSYRLTMAY-OAHLLOKOSA-N 1 1 321.352 2.210 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000879528428 690663578 /nfs/dbraw/zinc/66/35/78/690663578.db2.gz ULPWRABGIVVCPI-LZWOXQAQSA-N 1 1 318.373 2.233 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879568152 690674347 /nfs/dbraw/zinc/67/43/47/690674347.db2.gz ZQWORAMOTDYCMV-DOMZBBRYSA-N 1 1 305.378 2.129 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000931439779 694396833 /nfs/dbraw/zinc/39/68/33/694396833.db2.gz ZYMFHJXIPFMCHC-MNOVXSKESA-N 1 1 311.332 2.257 20 5 DEBDMO CC(C)(O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000880146968 690822569 /nfs/dbraw/zinc/82/25/69/690822569.db2.gz YSBWBJSEKFTNNK-LBPRGKRZSA-N 1 1 321.377 2.016 20 5 DEBDMO O=C1[C@@H]([NH+]2CCC(F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880240822 690848556 /nfs/dbraw/zinc/84/85/56/690848556.db2.gz MZOOYVPGGMQDAB-AWEZNQCLSA-N 1 1 307.325 2.134 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880323698 690870114 /nfs/dbraw/zinc/87/01/14/690870114.db2.gz UXANLTACGDNCMC-LLVKDONJSA-N 1 1 307.379 2.046 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ncncc2C1 ZINC000880595292 690937310 /nfs/dbraw/zinc/93/73/10/690937310.db2.gz NBVXSBDQEJZVRT-UHFFFAOYSA-N 1 1 314.345 2.342 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ncncc2C1 ZINC000880595292 690937313 /nfs/dbraw/zinc/93/73/13/690937313.db2.gz NBVXSBDQEJZVRT-UHFFFAOYSA-N 1 1 314.345 2.342 20 5 DEBDMO C[C@@H]1C[N@@H+](CCCNc2ccnc(F)c2[N+](=O)[O-])CCCO1 ZINC000882265323 691248559 /nfs/dbraw/zinc/24/85/59/691248559.db2.gz RLMHOEVYUKUSPB-LLVKDONJSA-N 1 1 312.345 2.042 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000882497526 691298549 /nfs/dbraw/zinc/29/85/49/691298549.db2.gz JQUWMYSHDNGXGI-HNNXBMFYSA-N 1 1 317.389 2.227 20 5 DEBDMO C[N@@H+](CC[N+](=O)[O-])C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC000931692694 694456080 /nfs/dbraw/zinc/45/60/80/694456080.db2.gz ZKHNSDLUWQGLSS-UHFFFAOYSA-N 1 1 315.414 2.423 20 5 DEBDMO O=[N+]([O-])c1ncccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000886081862 691999566 /nfs/dbraw/zinc/99/95/66/691999566.db2.gz ZTIBEFPFJRXJHN-CJNGLKHVSA-N 1 1 316.405 2.439 20 5 DEBDMO C[N@H+](CCCF)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000887140179 692290805 /nfs/dbraw/zinc/29/08/05/692290805.db2.gz UDPGLQWXKGLQOE-UHFFFAOYSA-N 1 1 303.721 2.478 20 5 DEBDMO C[N@@H+](CCCF)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000887140179 692290809 /nfs/dbraw/zinc/29/08/09/692290809.db2.gz UDPGLQWXKGLQOE-UHFFFAOYSA-N 1 1 303.721 2.478 20 5 DEBDMO COc1cc(NC[C@H]2CC[N@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896522337 693003828 /nfs/dbraw/zinc/00/38/28/693003828.db2.gz NJXVDSHUFINYSY-CQSZACIVSA-N 1 1 321.377 2.269 20 5 DEBDMO O=[N+]([O-])CC[NH+]1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000932227487 694576223 /nfs/dbraw/zinc/57/62/23/694576223.db2.gz UPHRZNADIDAGTI-UHFFFAOYSA-N 1 1 319.283 2.220 20 5 DEBDMO Cn1nccc1[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932267941 694583726 /nfs/dbraw/zinc/58/37/26/694583726.db2.gz VGKGEMLIJTYEJQ-JKSUJKDBSA-N 1 1 316.361 2.199 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1C ZINC001332758427 1149889163 /nfs/dbraw/zinc/88/91/63/1149889163.db2.gz XNTKTDLLQDOAHL-RISCZKNCSA-N 1 1 317.389 2.424 20 5 DEBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001350363864 1151348220 /nfs/dbraw/zinc/34/82/20/1151348220.db2.gz GTASBXDTULZYGR-LBPRGKRZSA-N 1 1 321.352 2.225 20 5 DEBDMO O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001350363864 1151348227 /nfs/dbraw/zinc/34/82/27/1151348227.db2.gz GTASBXDTULZYGR-LBPRGKRZSA-N 1 1 321.352 2.225 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C(C)(C)C1 ZINC001472058579 1151859963 /nfs/dbraw/zinc/85/99/63/1151859963.db2.gz NBPLMIBIZGLSHA-ZDUSSCGKSA-N 1 1 321.377 2.064 20 5 DEBDMO COCCC[N@@H+](C)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001355262850 1151996764 /nfs/dbraw/zinc/99/67/64/1151996764.db2.gz DGBQZKUYDWYXNR-UHFFFAOYSA-N 1 1 315.801 2.306 20 5 DEBDMO COCCCN(C)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001355262850 1151996765 /nfs/dbraw/zinc/99/67/65/1151996765.db2.gz DGBQZKUYDWYXNR-UHFFFAOYSA-N 1 1 315.801 2.306 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@H]1C ZINC001444619164 1183487038 /nfs/dbraw/zinc/48/70/38/1183487038.db2.gz UYAXIQHSHYAPCJ-NEPJUHHUSA-N 1 1 320.393 2.122 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001347484909 1151071512 /nfs/dbraw/zinc/07/15/12/1151071512.db2.gz UZLDPEFPKJELNU-NSHDSACASA-N 1 1 324.381 2.455 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001164632920 719164130 /nfs/dbraw/zinc/16/41/30/719164130.db2.gz FTXUKKIIENTCKS-WDEREUQCSA-N 1 1 301.350 2.067 20 5 DEBDMO [NH3+]Cc1nn(-c2ccc3[nH]cnc3c2[N+](=O)[O-])c2ccccc12 ZINC001167698055 777891002 /nfs/dbraw/zinc/89/10/02/777891002.db2.gz LLLLPCZVNYJPBM-UHFFFAOYSA-N 1 1 308.301 2.269 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCCNc1cc([N+](=O)[O-])c2nncn2c1 ZINC001167752607 778415483 /nfs/dbraw/zinc/41/54/83/778415483.db2.gz GQCNCKWJUSLKSS-GFCCVEGCSA-N 1 1 318.381 2.314 20 5 DEBDMO Cc1cncnc1O[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169055813 785023877 /nfs/dbraw/zinc/02/38/77/785023877.db2.gz QKTJHTFWVKIPMQ-RRFJBIMHSA-N 1 1 320.393 2.074 20 5 DEBDMO C[N@@H+]1CCc2c(NC[C@@H]3COC(C)(C)O3)ccc([N+](=O)[O-])c2C1 ZINC001169913886 785420121 /nfs/dbraw/zinc/42/01/21/785420121.db2.gz RBSLKFPRWRXISQ-LLVKDONJSA-N 1 1 321.377 2.146 20 5 DEBDMO C[N@H+]1CCc2c(NC[C@@H]3COC(C)(C)O3)ccc([N+](=O)[O-])c2C1 ZINC001169913886 785420125 /nfs/dbraw/zinc/42/01/25/785420125.db2.gz RBSLKFPRWRXISQ-LLVKDONJSA-N 1 1 321.377 2.146 20 5 DEBDMO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC001170296293 786891728 /nfs/dbraw/zinc/89/17/28/786891728.db2.gz GIWSQFCOJRLZHX-KGLIPLIRSA-N 1 1 321.421 2.466 20 5 DEBDMO CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355409 786916975 /nfs/dbraw/zinc/91/69/75/786916975.db2.gz DGDDGRSKCCZWTE-SNPRPXQTSA-N 1 1 319.405 2.313 20 5 DEBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC001170339963 786925912 /nfs/dbraw/zinc/92/59/12/786925912.db2.gz OZKAHUCDCZHSRO-UHFFFAOYSA-N 1 1 304.350 2.221 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC001131914946 787807781 /nfs/dbraw/zinc/80/77/81/787807781.db2.gz FKSHKSMCQISAPA-ZDUSSCGKSA-N 1 1 318.377 2.045 20 5 DEBDMO C[NH+](C)Cc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])o1 ZINC001147566680 791582649 /nfs/dbraw/zinc/58/26/49/791582649.db2.gz QIGXBZGGAPEESX-UHFFFAOYSA-N 1 1 315.329 2.452 20 5 DEBDMO CN(C)[C@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172908554 793525005 /nfs/dbraw/zinc/52/50/05/793525005.db2.gz NABMQBBWLIATOI-WBVHZDCISA-N 1 1 303.406 2.478 20 5 DEBDMO CN1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172916879 793531749 /nfs/dbraw/zinc/53/17/49/793531749.db2.gz UJUUSCGGSFTYGW-HNNXBMFYSA-N 1 1 317.389 2.006 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](c2ncccn2)C2CC2)c1 ZINC001176345411 794405198 /nfs/dbraw/zinc/40/51/98/794405198.db2.gz NQUJCQUBYPVNEG-GJZGRUSLSA-N 1 1 314.345 2.159 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC001115927924 794932535 /nfs/dbraw/zinc/93/25/35/794932535.db2.gz IEMZYMLHXHWQSD-JTQLQIEISA-N 1 1 305.338 2.275 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c2nonc21 ZINC001116252735 794946152 /nfs/dbraw/zinc/94/61/52/794946152.db2.gz LAIQTECARGSAIO-GZMMTYOYSA-N 1 1 303.322 2.026 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC001118736692 795221684 /nfs/dbraw/zinc/22/16/84/795221684.db2.gz YERYBMRDDIRYHQ-LHRNQBEKSA-N 1 1 303.362 2.209 20 5 DEBDMO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001119946353 795377884 /nfs/dbraw/zinc/37/78/84/795377884.db2.gz BNEJNKIIHQZTQM-SECBINFHSA-N 1 1 320.798 2.161 20 5 DEBDMO CN(C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001120609784 795497448 /nfs/dbraw/zinc/49/74/48/795497448.db2.gz GFYKQLMDAVNFKI-ARFHVFGLSA-N 1 1 319.405 2.091 20 5 DEBDMO C[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC001120727264 795520298 /nfs/dbraw/zinc/52/02/98/795520298.db2.gz TYSZENAYNAUAOI-AAEUAGOBSA-N 1 1 323.368 2.438 20 5 DEBDMO O=[N+]([O-])c1ccnc(N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)c1 ZINC001155087007 797678097 /nfs/dbraw/zinc/67/80/97/797678097.db2.gz OYKMXHNTFLKAFH-MRXNPFEDSA-N 1 1 310.357 2.409 20 5 DEBDMO O=[N+]([O-])c1ccnc(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)c1 ZINC001155087007 797678100 /nfs/dbraw/zinc/67/81/00/797678100.db2.gz OYKMXHNTFLKAFH-MRXNPFEDSA-N 1 1 310.357 2.409 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001156389963 797991710 /nfs/dbraw/zinc/99/17/10/797991710.db2.gz SXUQIIRMDSLCKD-JTQLQIEISA-N 1 1 314.773 2.025 20 5 DEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]([N@H+](C)C(C)C)C2)n1 ZINC001157000287 798125873 /nfs/dbraw/zinc/12/58/73/798125873.db2.gz CSIUIRSNRZMYLU-SNVBAGLBSA-N 1 1 313.789 2.266 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@@H]21 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C[N@H+]1CCC[C@@H](CCNc2cccc3ncc([N+](=O)[O-])n32)C1 ZINC001165299777 799700393 /nfs/dbraw/zinc/70/03/93/799700393.db2.gz CFPWPFPJRXZXTB-LBPRGKRZSA-N 1 1 303.366 2.386 20 5 DEBDMO CCO[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000932980528 799988472 /nfs/dbraw/zinc/98/84/72/799988472.db2.gz YABDDEFJOPQUDJ-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO CCO[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000932980528 799988476 /nfs/dbraw/zinc/98/84/76/799988476.db2.gz YABDDEFJOPQUDJ-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO CC(C)[C@@H]1COCCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001166998944 800000930 /nfs/dbraw/zinc/00/09/30/800000930.db2.gz QITKBFWHKXNKRV-NFAHFFEMSA-N 1 1 320.393 2.383 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC[C@H]2CC2CC2)c1 ZINC000933212006 800042400 /nfs/dbraw/zinc/04/24/00/800042400.db2.gz UQZRTOMRBZMUQX-CVEARBPZSA-N 1 1 306.362 2.129 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC[C@H]2CC2CC2)c1 ZINC000933212006 800042410 /nfs/dbraw/zinc/04/24/10/800042410.db2.gz UQZRTOMRBZMUQX-CVEARBPZSA-N 1 1 306.362 2.129 20 5 DEBDMO O=C1OCCCN1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000933623807 800140832 /nfs/dbraw/zinc/14/08/32/800140832.db2.gz NJTPQXMCSAINDE-UHFFFAOYSA-N 1 1 319.361 2.402 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2nonc2c1 ZINC001204953037 800277563 /nfs/dbraw/zinc/27/75/63/800277563.db2.gz RTUXEMHMGPOQMB-UHFFFAOYSA-N 1 1 314.301 2.429 20 5 DEBDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000935174025 800584157 /nfs/dbraw/zinc/58/41/57/800584157.db2.gz XCVKSMQBJXMYNV-LSDHHAIUSA-N 1 1 317.389 2.251 20 5 DEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000935212671 800597034 /nfs/dbraw/zinc/59/70/34/800597034.db2.gz GVBHDXSNHPIHFT-RYUDHWBXSA-N 1 1 323.368 2.218 20 5 DEBDMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC000935511086 800684146 /nfs/dbraw/zinc/68/41/46/800684146.db2.gz XWBBJAOONVZTKZ-ZDUSSCGKSA-N 1 1 307.350 2.415 20 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1 1 318.333 2.107 20 5 DEBDMO Cc1nc(O[C@@H]2CC[N@@H+](C)C2)c(Br)cc1[N+](=O)[O-] ZINC001228620971 803382177 /nfs/dbraw/zinc/38/21/77/803382177.db2.gz JCSMFTKZVWYETG-MRVPVSSYSA-N 1 1 316.155 2.144 20 5 DEBDMO Cc1nc(O[C@@H]2CC[N@H+](C)C2)c(Br)cc1[N+](=O)[O-] ZINC001228620971 803382184 /nfs/dbraw/zinc/38/21/84/803382184.db2.gz JCSMFTKZVWYETG-MRVPVSSYSA-N 1 1 316.155 2.144 20 5 DEBDMO Cc1ccc(N2CCC[C@@H](Oc3ncncc3[N+](=O)[O-])C2)[nH+]c1 ZINC001228655890 803388535 /nfs/dbraw/zinc/38/85/35/803388535.db2.gz XFASOIXRBNJDQK-GFCCVEGCSA-N 1 1 315.333 2.136 20 5 DEBDMO COC(=O)c1cc(O[C@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001228772130 803409381 /nfs/dbraw/zinc/40/93/81/803409381.db2.gz UZFNYEWWAVCSOQ-ZDUSSCGKSA-N 1 1 308.334 2.243 20 5 DEBDMO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](C)C1 ZINC001228964335 803437338 /nfs/dbraw/zinc/43/73/38/803437338.db2.gz VNEZSQCRLXZUQE-SECBINFHSA-N 1 1 314.725 2.118 20 5 DEBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC001460723117 1058491794 /nfs/dbraw/zinc/49/17/94/1058491794.db2.gz WYTDVUJKJDKTLR-LLVKDONJSA-N 1 1 300.318 2.279 20 5 DEBDMO O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001471842009 1060321650 /nfs/dbraw/zinc/32/16/50/1060321650.db2.gz XRNNZQCEAQMJMH-LLVKDONJSA-N 1 1 307.354 2.054 20 5 DEBDMO CN(C)C(=O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001473991496 1060791878 /nfs/dbraw/zinc/79/18/78/1060791878.db2.gz OTESSYZGMSMQKZ-UHFFFAOYSA-N 1 1 303.318 2.033 20 5 DEBDMO CC(C)=CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001480388941 1062775040 /nfs/dbraw/zinc/77/50/40/1062775040.db2.gz NQSXDCINBANUOF-QLPKVWCKSA-N 1 1 315.373 2.107 20 5 DEBDMO C/C=C(/C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001480390855 1062781140 /nfs/dbraw/zinc/78/11/40/1062781140.db2.gz SAPILEWOZVXSCV-UCGOPMHVSA-N 1 1 315.373 2.107 20 5 DEBDMO Cc1cccc(NCCNc2c(Cl)cncc2[N+](=O)[O-])[nH+]1 ZINC001612959596 1078115045 /nfs/dbraw/zinc/11/50/45/1078115045.db2.gz JAFZWZMYHQHSLO-UHFFFAOYSA-N 1 1 307.741 2.293 20 5 DEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001616946598 1078136356 /nfs/dbraw/zinc/13/63/56/1078136356.db2.gz OWJIEFKFIMKWAA-GFCCVEGCSA-N 1 1 320.393 2.171 20 5 DEBDMO CC(C)CC(=O)NC/C=C/C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001497516759 1066121623 /nfs/dbraw/zinc/12/16/23/1066121623.db2.gz CZUCUAFUALQPJK-ONEGZZNKSA-N 1 1 311.407 2.464 20 5 DEBDMO CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC001635644364 1078455712 /nfs/dbraw/zinc/45/57/12/1078455712.db2.gz PSGLNRPOPCDSLX-CQSZACIVSA-N 1 1 321.377 2.064 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC001636534680 1078480064 /nfs/dbraw/zinc/48/00/64/1078480064.db2.gz DPNICWCEEDMJAM-RYUDHWBXSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC001636534680 1078480072 /nfs/dbraw/zinc/48/00/72/1078480072.db2.gz DPNICWCEEDMJAM-RYUDHWBXSA-N 1 1 321.377 2.158 20 5 DEBDMO 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2.021 20 5 DEBDMO Cc1c([C@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000090884527 355568887 /nfs/dbraw/zinc/56/88/87/355568887.db2.gz GSJVJNKNCDNOGR-FZMZJTMJSA-N 1 1 304.350 2.021 20 5 DEBDMO Cc1cccc(NCCNC(=O)c2cccc([N+](=O)[O-])c2C)[nH+]1 ZINC000126281851 355816489 /nfs/dbraw/zinc/81/64/89/355816489.db2.gz AULIGMHZRIQCAA-UHFFFAOYSA-N 1 1 314.345 2.449 20 5 DEBDMO C[C@H](C1CC1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182209348 356114146 /nfs/dbraw/zinc/11/41/46/356114146.db2.gz YHIXPHLCLQIVSE-LLVKDONJSA-N 1 1 312.391 2.099 20 5 DEBDMO C[C@H](C1CC1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182209348 356114150 /nfs/dbraw/zinc/11/41/50/356114150.db2.gz YHIXPHLCLQIVSE-LLVKDONJSA-N 1 1 312.391 2.099 20 5 DEBDMO CCc1nc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cs1 ZINC000184749306 356197026 /nfs/dbraw/zinc/19/70/26/356197026.db2.gz VRNLTUJKGUAEBK-JTQLQIEISA-N 1 1 322.390 2.126 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184768693 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303.362 2.316 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593071870 358001683 /nfs/dbraw/zinc/00/16/83/358001683.db2.gz UZLRDEFMHVCTBE-OAHLLOKOSA-N 1 1 323.368 2.075 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593075709 358002165 /nfs/dbraw/zinc/00/21/65/358002165.db2.gz RDWPMPYDUDZQNG-RISCZKNCSA-N 1 1 323.368 2.075 20 5 DEBDMO C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000593593207 358107671 /nfs/dbraw/zinc/10/76/71/358107671.db2.gz DXDKWGQQIMTCBB-LLVKDONJSA-N 1 1 321.352 2.043 20 5 DEBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])nc2)[C@H](Cc2ccccc2)C1 ZINC000593502949 358092946 /nfs/dbraw/zinc/09/29/46/358092946.db2.gz GBLTVVIRBQVNLE-MRXNPFEDSA-N 1 1 312.373 2.353 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCCC[C@@H]3CO)nc2c1 ZINC000594016810 358190125 /nfs/dbraw/zinc/19/01/25/358190125.db2.gz ITKXYPJCQVMBIA-GFCCVEGCSA-N 1 1 304.350 2.208 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCCC[C@@H]3CO)nc2c1 ZINC000594016810 358190127 /nfs/dbraw/zinc/19/01/27/358190127.db2.gz ITKXYPJCQVMBIA-GFCCVEGCSA-N 1 1 304.350 2.208 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])s1 ZINC000594197357 358221966 /nfs/dbraw/zinc/22/19/66/358221966.db2.gz CNMLRQPDJFHEGE-MNOVXSKESA-N 1 1 309.391 2.403 20 5 DEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180778961 199207666 /nfs/dbraw/zinc/20/76/66/199207666.db2.gz WBEHMQIRXSZLPC-GFCCVEGCSA-N 1 1 320.393 2.171 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000595039509 358382027 /nfs/dbraw/zinc/38/20/27/358382027.db2.gz PVSRCMCNMOXEIZ-NEPJUHHUSA-N 1 1 321.377 2.265 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000595019362 358379535 /nfs/dbraw/zinc/37/95/35/358379535.db2.gz MDBBQVKALDKOHG-BXUZGUMPSA-N 1 1 321.377 2.263 20 5 DEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595811180 358554280 /nfs/dbraw/zinc/55/42/80/358554280.db2.gz UCDLWUHHCWASLI-VXGBXAGGSA-N 1 1 319.361 2.274 20 5 DEBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000595827445 358557196 /nfs/dbraw/zinc/55/71/96/358557196.db2.gz BYCTWJXSYBYIMO-ZDUSSCGKSA-N 1 1 303.362 2.039 20 5 DEBDMO O=C1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595735798 358536512 /nfs/dbraw/zinc/53/65/12/358536512.db2.gz CUMKSURNQOBAMR-GXFFZTMASA-N 1 1 323.780 2.349 20 5 DEBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595735798 358536515 /nfs/dbraw/zinc/53/65/15/358536515.db2.gz CUMKSURNQOBAMR-GXFFZTMASA-N 1 1 323.780 2.349 20 5 DEBDMO C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000596076655 358604853 /nfs/dbraw/zinc/60/48/53/358604853.db2.gz BKOKXPAWXDBOJI-VXGBXAGGSA-N 1 1 320.393 2.226 20 5 DEBDMO CC(C)C[N@H+]1CC[C@@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596163397 358627163 /nfs/dbraw/zinc/62/71/63/358627163.db2.gz TVEMESOUCBRZAT-NSHDSACASA-N 1 1 312.801 2.455 20 5 DEBDMO COc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596432207 358685504 /nfs/dbraw/zinc/68/55/04/358685504.db2.gz RLQXWQGOHBNVKQ-NWDGAFQWSA-N 1 1 309.366 2.125 20 5 DEBDMO COc1cc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596432207 358685506 /nfs/dbraw/zinc/68/55/06/358685506.db2.gz RLQXWQGOHBNVKQ-NWDGAFQWSA-N 1 1 309.366 2.125 20 5 DEBDMO CCC[N@H+]1CC[C@H](Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000596517315 358705082 /nfs/dbraw/zinc/70/50/82/358705082.db2.gz MLGUFJZWNFPMKW-ZDUSSCGKSA-N 1 1 321.377 2.207 20 5 DEBDMO Cc1nn(C)c(NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596557255 358713209 /nfs/dbraw/zinc/71/32/09/358713209.db2.gz FPGUKORLVRGELM-AWEZNQCLSA-N 1 1 315.377 2.323 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597926110 359044611 /nfs/dbraw/zinc/04/46/11/359044611.db2.gz VQBUVVKDRYQAFC-LLVKDONJSA-N 1 1 321.377 2.206 20 5 DEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000597714273 358986088 /nfs/dbraw/zinc/98/60/88/358986088.db2.gz HSXPNALMNVLOGH-KRWDZBQOSA-N 1 1 317.389 2.082 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000598343294 359170395 /nfs/dbraw/zinc/17/03/95/359170395.db2.gz STTNGQKUQOYIQC-LLVKDONJSA-N 1 1 316.361 2.290 20 5 DEBDMO CCOC[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599620979 359544440 /nfs/dbraw/zinc/54/44/40/359544440.db2.gz XOCXSQYEGZATJP-INIZCTEOSA-N 1 1 324.377 2.101 20 5 DEBDMO CCOC[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599620979 359544445 /nfs/dbraw/zinc/54/44/45/359544445.db2.gz XOCXSQYEGZATJP-INIZCTEOSA-N 1 1 324.377 2.101 20 5 DEBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCCOCC2)c2ncccc12 ZINC000188498032 200256474 /nfs/dbraw/zinc/25/64/74/200256474.db2.gz JYJLCQMJUVHABN-UHFFFAOYSA-N 1 1 316.361 2.277 20 5 DEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000600998706 359887280 /nfs/dbraw/zinc/88/72/80/359887280.db2.gz PHTJFQLYQMNNEQ-NWDGAFQWSA-N 1 1 307.325 2.091 20 5 DEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601002529 359890004 /nfs/dbraw/zinc/89/00/04/359890004.db2.gz PFDQIXGYHHIVQC-JTQLQIEISA-N 1 1 320.324 2.305 20 5 DEBDMO CSC[C@H](CCO)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601121883 359929494 /nfs/dbraw/zinc/92/94/94/359929494.db2.gz QMZAMDVWPNMGSC-JTQLQIEISA-N 1 1 307.375 2.091 20 5 DEBDMO COC[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000601153125 359944475 /nfs/dbraw/zinc/94/44/75/359944475.db2.gz JUZPGAUXVPIZEZ-YPMHNXCESA-N 1 1 317.345 2.383 20 5 DEBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[S@@](=O)C1 ZINC000601156218 359946417 /nfs/dbraw/zinc/94/64/17/359946417.db2.gz UIFSLTQZMCOAFI-RKFFSXRUSA-N 1 1 319.386 2.348 20 5 DEBDMO COC(=O)[C@@H]([NH2+]CCCNc1ccsc1[N+](=O)[O-])C(C)C ZINC000601170278 359951569 /nfs/dbraw/zinc/95/15/69/359951569.db2.gz NSKPBDBNDKHBKS-NSHDSACASA-N 1 1 315.395 2.246 20 5 DEBDMO CC[C@H](C)[NH+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601622825 360091175 /nfs/dbraw/zinc/09/11/75/360091175.db2.gz YQPPYMAQDJPFPW-NSHDSACASA-N 1 1 309.341 2.290 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602292064 360331440 /nfs/dbraw/zinc/33/14/40/360331440.db2.gz LLKGRTBYLFRELS-DGCLKSJQSA-N 1 1 321.352 2.290 20 5 DEBDMO C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[N@@H+](C)C1CC1 ZINC000602545854 360426306 /nfs/dbraw/zinc/42/63/06/360426306.db2.gz XYMOHDKSSRZIFN-JTQLQIEISA-N 1 1 304.350 2.308 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000602789198 360555684 /nfs/dbraw/zinc/55/56/84/360555684.db2.gz SPAMEGOBCQNEJP-STQMWFEESA-N 1 1 310.423 2.460 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000602829995 360578019 /nfs/dbraw/zinc/57/80/19/360578019.db2.gz SRJMTHZFJYZDFR-UHFFFAOYSA-N 1 1 313.361 2.284 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCOCc1ccccc1 ZINC000602789279 360555781 /nfs/dbraw/zinc/55/57/81/360555781.db2.gz UDFBWOUKCGTDIG-UHFFFAOYSA-N 1 1 318.377 2.248 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000602797272 360559434 /nfs/dbraw/zinc/55/94/34/360559434.db2.gz IFDUJOMPYYVNOV-AWEZNQCLSA-N 1 1 301.350 2.332 20 5 DEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000604476344 360908388 /nfs/dbraw/zinc/90/83/88/360908388.db2.gz UIWPQEBCLJINJA-KBPBESRZSA-N 1 1 318.377 2.021 20 5 DEBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCO)C1CCOCC1 ZINC000444779639 238310212 /nfs/dbraw/zinc/31/02/12/238310212.db2.gz XWKKTLXXABOSIP-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)CC(C)(C)C ZINC000609483465 361313844 /nfs/dbraw/zinc/31/38/44/361313844.db2.gz IGHZBZSVHZWNPO-UHFFFAOYSA-N 1 1 323.393 2.182 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000610447647 361401397 /nfs/dbraw/zinc/40/13/97/361401397.db2.gz HXPNQEDVBLRTEX-MRXNPFEDSA-N 1 1 316.361 2.255 20 5 DEBDMO CCOC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194045933 201168438 /nfs/dbraw/zinc/16/84/38/201168438.db2.gz SMBHCJSGQVBRMC-NSHDSACASA-N 1 1 309.322 2.361 20 5 DEBDMO COCC1([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000611178713 361542405 /nfs/dbraw/zinc/54/24/05/361542405.db2.gz KIBMUQXGDUYVBO-UHFFFAOYSA-N 1 1 308.334 2.072 20 5 DEBDMO COCC1([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000611178713 361542408 /nfs/dbraw/zinc/54/24/08/361542408.db2.gz KIBMUQXGDUYVBO-UHFFFAOYSA-N 1 1 308.334 2.072 20 5 DEBDMO CC[N@@H+](C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611205231 361548664 /nfs/dbraw/zinc/54/86/64/361548664.db2.gz OQGUBSLGYVYUPM-STQMWFEESA-N 1 1 321.377 2.280 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccn1)C1CC1 ZINC000611544385 361626836 /nfs/dbraw/zinc/62/68/36/361626836.db2.gz ABGBZPLZNWSCGV-UHFFFAOYSA-N 1 1 301.350 2.159 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707520 361662889 /nfs/dbraw/zinc/66/28/89/361662889.db2.gz IUKZFMCPJKXPPV-BMIGLBTASA-N 1 1 313.361 2.433 20 5 DEBDMO CC[N@@H+](CCOC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275406703 212315008 /nfs/dbraw/zinc/31/50/08/212315008.db2.gz AIJZRMAWAABFJJ-UHFFFAOYSA-N 1 1 313.329 2.031 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CCCO)C2)c2c(c1)COCO2 ZINC000449787701 241078216 /nfs/dbraw/zinc/07/82/16/241078216.db2.gz BEWDBEJDKZHZMM-LBPRGKRZSA-N 1 1 322.361 2.056 20 5 DEBDMO CCOc1cc(N[C@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000450607118 242007810 /nfs/dbraw/zinc/00/78/10/242007810.db2.gz BABHCWWFMOJQQN-AWEZNQCLSA-N 1 1 323.393 2.252 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000093820305 193313539 /nfs/dbraw/zinc/31/35/39/193313539.db2.gz IUKRTRUHJHXJFF-INIZCTEOSA-N 1 1 322.361 2.224 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000266366384 205295359 /nfs/dbraw/zinc/29/53/59/205295359.db2.gz FXXPBOKAAAZJKL-ZDUSSCGKSA-N 1 1 305.378 2.317 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CN1CCN(C)CC1 ZINC000155004374 291598878 /nfs/dbraw/zinc/59/88/78/291598878.db2.gz GASFAZRFTOPSFV-LSDHHAIUSA-N 1 1 320.437 2.190 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331480 296240796 /nfs/dbraw/zinc/24/07/96/296240796.db2.gz QVUGKRUESJEDBP-KBPBESRZSA-N 1 1 319.405 2.343 20 5 DEBDMO C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000492296375 249032853 /nfs/dbraw/zinc/03/28/53/249032853.db2.gz OBLFOHKHNKLICL-OXTPZFROSA-N 1 1 321.352 2.298 20 5 DEBDMO CC(C)[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000492994234 249191787 /nfs/dbraw/zinc/19/17/87/249191787.db2.gz ZQKCCDAPZGNXQB-HWYHOQROSA-N 1 1 317.389 2.407 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493407159 249292388 /nfs/dbraw/zinc/29/23/88/249292388.db2.gz YEXGNVVFUVJOLH-LXKVQUBZSA-N 1 1 305.378 2.453 20 5 DEBDMO O=[N+]([O-])c1c(NCCC[NH+]2CCOCC2)ccc2ncccc21 ZINC000043902912 183389303 /nfs/dbraw/zinc/38/93/03/183389303.db2.gz JIKTZZKCENCQCQ-UHFFFAOYSA-N 1 1 316.361 2.277 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCSC3)C2)nc1 ZINC000494931308 249573402 /nfs/dbraw/zinc/57/34/02/249573402.db2.gz ANRZHNSVJLCEBH-NWDGAFQWSA-N 1 1 308.407 2.229 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000284781317 218174267 /nfs/dbraw/zinc/17/42/67/218174267.db2.gz NJXBPQWGVJWQQP-BZUAXINKSA-N 1 1 306.362 2.272 20 5 DEBDMO COC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCO1 ZINC000285204669 218332751 /nfs/dbraw/zinc/33/27/51/218332751.db2.gz FOSWMOZCZFCCJN-KGLIPLIRSA-N 1 1 316.304 2.157 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271923986 209328469 /nfs/dbraw/zinc/32/84/69/209328469.db2.gz KULFDTLFCMPUNE-UHFFFAOYSA-N 1 1 321.402 2.065 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000110732514 194354926 /nfs/dbraw/zinc/35/49/26/194354926.db2.gz IAZKMZTTZAFGKC-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000110732514 194354928 /nfs/dbraw/zinc/35/49/28/194354928.db2.gz IAZKMZTTZAFGKC-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000110879138 194366222 /nfs/dbraw/zinc/36/62/22/194366222.db2.gz JIPQIOMFJDECII-HNNXBMFYSA-N 1 1 322.361 2.201 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000110879138 194366224 /nfs/dbraw/zinc/36/62/24/194366224.db2.gz JIPQIOMFJDECII-HNNXBMFYSA-N 1 1 322.361 2.201 20 5 DEBDMO CCOc1ccc(C(=O)NCC[N@@H+](C)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000066150070 184393190 /nfs/dbraw/zinc/39/31/90/184393190.db2.gz MCXDQSHXQIGVSW-LBPRGKRZSA-N 1 1 323.393 2.454 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000066186654 184396082 /nfs/dbraw/zinc/39/60/82/184396082.db2.gz QTPCXGDFSCKKQV-GFCCVEGCSA-N 1 1 308.382 2.124 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000120015164 195079749 /nfs/dbraw/zinc/07/97/49/195079749.db2.gz KRDYBDGOBSWWGR-UHFFFAOYSA-N 1 1 306.366 2.381 20 5 DEBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(Cn3ccnn3)CC2)cs1 ZINC000155607281 197071482 /nfs/dbraw/zinc/07/14/82/197071482.db2.gz DNJYUYJXKCJMCQ-UHFFFAOYSA-N 1 1 307.379 2.160 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000154965663 197009228 /nfs/dbraw/zinc/00/92/28/197009228.db2.gz CTNNQSXCWHTDKF-QWRGUYRKSA-N 1 1 309.391 2.213 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000330991463 533218838 /nfs/dbraw/zinc/21/88/38/533218838.db2.gz NCSNDNORKDWHBR-OAHLLOKOSA-N 1 1 307.394 2.375 20 5 DEBDMO CC(C)C(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000290012621 221378968 /nfs/dbraw/zinc/37/89/68/221378968.db2.gz BTTITFIZLNWESS-UHFFFAOYSA-N 1 1 305.378 2.332 20 5 DEBDMO CS[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000294964781 224343462 /nfs/dbraw/zinc/34/34/62/224343462.db2.gz FEJBXPVXZDRJDC-ZDUSSCGKSA-N 1 1 310.375 2.399 20 5 DEBDMO CS[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000294964781 224343465 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CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360531197 133187645 /nfs/dbraw/zinc/18/76/45/133187645.db2.gz WPTCARGBYGGAAF-OAHLLOKOSA-N 1 1 305.378 2.394 20 5 DEBDMO Cc1cc(C(=O)NCc2c[nH+]c3n2CCCC3)cc([N+](=O)[O-])c1 ZINC000376714252 133305093 /nfs/dbraw/zinc/30/50/93/133305093.db2.gz CQTWASYUBRVSNN-UHFFFAOYSA-N 1 1 314.345 2.366 20 5 DEBDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247466302 145137664 /nfs/dbraw/zinc/13/76/64/145137664.db2.gz RLSTXUALRNRYRZ-OCCSQVGLSA-N 1 1 305.378 2.315 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247930276 145145684 /nfs/dbraw/zinc/14/56/84/145145684.db2.gz BZBINYHTUCKGBE-HUUCEWRRSA-N 1 1 319.405 2.390 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000248969868 145174434 /nfs/dbraw/zinc/17/44/34/145174434.db2.gz CIMLSMXZHBFAAA-WCQYABFASA-N 1 1 322.361 2.234 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000248969868 145174435 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KHSBURWOEUVGIT-HNNXBMFYSA-N 1 1 300.362 2.281 20 5 DEBDMO C[N@H+]1CC[C@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000234350448 402359962 /nfs/dbraw/zinc/35/99/62/402359962.db2.gz XOFBHXIEPYCAII-MRVPVSSYSA-N 1 1 304.272 2.372 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000177865845 402441667 /nfs/dbraw/zinc/44/16/67/402441667.db2.gz BCYHJHZNFJRTCW-AWEZNQCLSA-N 1 1 320.393 2.078 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000178182305 402468955 /nfs/dbraw/zinc/46/89/55/402468955.db2.gz UULGSYYMIKNVTK-LBPRGKRZSA-N 1 1 320.393 2.027 20 5 DEBDMO C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1CO ZINC000190449780 402601624 /nfs/dbraw/zinc/60/16/24/402601624.db2.gz HJVDMLOFRWPCAG-IAQYHMDHSA-N 1 1 317.345 2.453 20 5 DEBDMO CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000171682485 402609513 /nfs/dbraw/zinc/60/95/13/402609513.db2.gz CXYWKXYUTJKWAR-UHFFFAOYSA-N 1 1 307.350 2.416 20 5 DEBDMO C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000171698287 402611405 /nfs/dbraw/zinc/61/14/05/402611405.db2.gz RJWYPLHTPWEWPW-GFCCVEGCSA-N 1 1 320.393 2.219 20 5 DEBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255262887 402682011 /nfs/dbraw/zinc/68/20/11/402682011.db2.gz DTUDKTXZVLCULM-KKTNHOPESA-N 1 1 303.362 2.161 20 5 DEBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255262887 402682013 /nfs/dbraw/zinc/68/20/13/402682013.db2.gz DTUDKTXZVLCULM-KKTNHOPESA-N 1 1 303.362 2.161 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCOC1 ZINC000174153687 402729214 /nfs/dbraw/zinc/72/92/14/402729214.db2.gz CKYHZLFWHXQAQT-ZDUSSCGKSA-N 1 1 321.377 2.282 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000174663278 402751144 /nfs/dbraw/zinc/75/11/44/402751144.db2.gz JPLMMUMKNIIXPV-UHFFFAOYSA-N 1 1 309.366 2.065 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCOCC1(C)C ZINC000175090386 402778442 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DEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000278828040 402875691 /nfs/dbraw/zinc/87/56/91/402875691.db2.gz QHFWAONJDNJAPJ-CYBMUJFWSA-N 1 1 305.378 2.284 20 5 DEBDMO Cc1nc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000278844050 402877673 /nfs/dbraw/zinc/87/76/73/402877673.db2.gz UYZOVTLUKUKZHO-AWEZNQCLSA-N 1 1 301.350 2.231 20 5 DEBDMO Cc1nnc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278844050 402877675 /nfs/dbraw/zinc/87/76/75/402877675.db2.gz UYZOVTLUKUKZHO-AWEZNQCLSA-N 1 1 301.350 2.231 20 5 DEBDMO CO[C@@]1(C)CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000279209149 402916194 /nfs/dbraw/zinc/91/61/94/402916194.db2.gz BPEPOPXLRVCTQA-INIZCTEOSA-N 1 1 321.377 2.059 20 5 DEBDMO CO[C@@]1(C)CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000279209149 402916197 /nfs/dbraw/zinc/91/61/97/402916197.db2.gz BPEPOPXLRVCTQA-INIZCTEOSA-N 1 1 321.377 2.059 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](C)(O)CC1 ZINC000279255084 402922924 /nfs/dbraw/zinc/92/29/24/402922924.db2.gz AJWJMPDMSAGHRP-MLGOLLRUSA-N 1 1 321.377 2.159 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272374881 402929377 /nfs/dbraw/zinc/92/93/77/402929377.db2.gz BGGYSFVKZZVUGX-WFASDCNBSA-N 1 1 303.362 2.069 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000266554005 402973530 /nfs/dbraw/zinc/97/35/30/402973530.db2.gz VJYGYEVSMLJOTO-HZSPNIEDSA-N 1 1 307.394 2.043 20 5 DEBDMO CCC(=O)c1ccc(N[C@@H]2CC[N@H+](CCOC)C2)c([N+](=O)[O-])c1 ZINC000280731075 403031413 /nfs/dbraw/zinc/03/14/13/403031413.db2.gz NFRIMRSAXSVNNE-CYBMUJFWSA-N 1 1 321.377 2.320 20 5 DEBDMO CCC(=O)c1ccc(N[C@@H]2CC[N@@H+](CCOC)C2)c([N+](=O)[O-])c1 ZINC000280731075 403031414 /nfs/dbraw/zinc/03/14/14/403031414.db2.gz NFRIMRSAXSVNNE-CYBMUJFWSA-N 1 1 321.377 2.320 20 5 DEBDMO Cc1ccc([C@H](C)NC(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000268089703 403047574 /nfs/dbraw/zinc/04/75/74/403047574.db2.gz ZZTWODDCSBGSET-LBPRGKRZSA-N 1 1 320.393 2.358 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000268221345 403063332 /nfs/dbraw/zinc/06/33/32/403063332.db2.gz QIEOOBOUTXQRJX-BGFAJILSSA-N 1 1 315.373 2.207 20 5 DEBDMO CC(C)(O)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000281876843 403100404 /nfs/dbraw/zinc/10/04/04/403100404.db2.gz ACQZODQZQWQCSI-UHFFFAOYSA-N 1 1 321.377 2.159 20 5 DEBDMO COc1ccc(OCC[N@@H+]2CC[C@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000282228051 403134349 /nfs/dbraw/zinc/13/43/49/403134349.db2.gz FKHLUKNDWWNSKF-OCCSQVGLSA-N 1 1 324.377 2.482 20 5 DEBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC000269645920 403153389 /nfs/dbraw/zinc/15/33/89/403153389.db2.gz KYPICNGJOCDJER-IAGOWNOFSA-N 1 1 316.357 2.294 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000277571758 403231913 /nfs/dbraw/zinc/23/19/13/403231913.db2.gz LFCRDNPBMGUIEK-RISCZKNCSA-N 1 1 321.377 2.016 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@H](O)C3)cs2)c1 ZINC000271041062 403256850 /nfs/dbraw/zinc/25/68/50/403256850.db2.gz MYYYVMZGGBCATR-CYBMUJFWSA-N 1 1 305.359 2.285 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H](O)C3)cs2)c1 ZINC000271041062 403256853 /nfs/dbraw/zinc/25/68/53/403256853.db2.gz MYYYVMZGGBCATR-CYBMUJFWSA-N 1 1 305.359 2.285 20 5 DEBDMO CCCC[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284268454 403258773 /nfs/dbraw/zinc/25/87/73/403258773.db2.gz XHLIIEIMVWMZRZ-UHFFFAOYSA-N 1 1 311.338 2.488 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000330674054 403302750 /nfs/dbraw/zinc/30/27/50/403302750.db2.gz QCIDXFVLSCTVBV-SNVBAGLBSA-N 1 1 309.391 2.093 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000330674054 403302752 /nfs/dbraw/zinc/30/27/52/403302752.db2.gz QCIDXFVLSCTVBV-SNVBAGLBSA-N 1 1 309.391 2.093 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000331183839 403347325 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1 1 323.368 2.029 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339564189 403387264 /nfs/dbraw/zinc/38/72/64/403387264.db2.gz JOPHJDSNUYCBKQ-UHFFFAOYSA-N 1 1 316.361 2.194 20 5 DEBDMO COCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293212509 403416437 /nfs/dbraw/zinc/41/64/37/403416437.db2.gz VAYFBLUCSFCGOY-UHFFFAOYSA-N 1 1 322.283 2.054 20 5 DEBDMO COCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293212509 403416440 /nfs/dbraw/zinc/41/64/40/403416440.db2.gz VAYFBLUCSFCGOY-UHFFFAOYSA-N 1 1 322.283 2.054 20 5 DEBDMO C[C@@H](F)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339738315 403434303 /nfs/dbraw/zinc/43/43/03/403434303.db2.gz CWCLCRCZNJUZCF-GFCCVEGCSA-N 1 1 309.341 2.101 20 5 DEBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345683778 403435479 /nfs/dbraw/zinc/43/54/79/403435479.db2.gz MDAMGENAUUTHIS-HIFRSBDPSA-N 1 1 321.402 2.263 20 5 DEBDMO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C)CO ZINC000293423891 403468069 /nfs/dbraw/zinc/46/80/69/403468069.db2.gz NIBHQKHYGVURQV-LBPRGKRZSA-N 1 1 319.361 2.495 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000345930648 403537680 /nfs/dbraw/zinc/53/76/80/403537680.db2.gz WFXOQQZOINJROR-STQMWFEESA-N 1 1 305.378 2.458 20 5 DEBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000286661966 403538068 /nfs/dbraw/zinc/53/80/68/403538068.db2.gz UQBNXYIOEZLEDZ-NCZBFZFDSA-N 1 1 318.373 2.329 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CCC1 ZINC000299187012 403544432 /nfs/dbraw/zinc/54/44/32/403544432.db2.gz CIROKXAVUYASRW-UHFFFAOYSA-N 1 1 307.350 2.416 20 5 DEBDMO CCC1(CO)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332201823 403513752 /nfs/dbraw/zinc/51/37/52/403513752.db2.gz DMNRVQMWOLEAOG-UHFFFAOYSA-N 1 1 318.377 2.456 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000293915387 403598289 /nfs/dbraw/zinc/59/82/89/403598289.db2.gz OWNQIOSTRQJIIL-MRXNPFEDSA-N 1 1 303.362 2.071 20 5 DEBDMO Cc1c(CC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000343420334 403581148 /nfs/dbraw/zinc/58/11/48/403581148.db2.gz AJKUEPAOCGRXRO-OCCSQVGLSA-N 1 1 305.378 2.045 20 5 DEBDMO CC(=O)c1cc(NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000287507715 403612678 /nfs/dbraw/zinc/61/26/78/403612678.db2.gz UUHPBDVEHHXNFB-UHFFFAOYSA-N 1 1 309.391 2.258 20 5 DEBDMO C[N@@H+](CCOCCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294036357 403630762 /nfs/dbraw/zinc/63/07/62/403630762.db2.gz ILGKXCXWBVPXIR-UHFFFAOYSA-N 1 1 322.283 2.054 20 5 DEBDMO CC[C@@H](C)[N@@H+](CCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000287608649 403633535 /nfs/dbraw/zinc/63/35/35/403633535.db2.gz ZETNIBDJCOUSIK-SNVBAGLBSA-N 1 1 300.330 2.335 20 5 DEBDMO CCN1CC[NH+]([C@@H](C)CNc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000301522171 403641300 /nfs/dbraw/zinc/64/13/00/403641300.db2.gz LSTSGMGSTPTRAQ-AWEZNQCLSA-N 1 1 306.410 2.341 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341135140 403791389 /nfs/dbraw/zinc/79/13/89/403791389.db2.gz YASZTUOLFDCRLG-LLVKDONJSA-N 1 1 308.382 2.226 20 5 DEBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000305212161 403879844 /nfs/dbraw/zinc/87/98/44/403879844.db2.gz GGAVIWYEGZGDGM-DOMZBBRYSA-N 1 1 321.377 2.159 20 5 DEBDMO CC(=O)NC1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000344099090 403908276 /nfs/dbraw/zinc/90/82/76/403908276.db2.gz NAPJHTMQKSMWJE-UHFFFAOYSA-N 1 1 305.378 2.474 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344284499 404030677 /nfs/dbraw/zinc/03/06/77/404030677.db2.gz PGFANXVSHUIZJB-KGLIPLIRSA-N 1 1 307.325 2.091 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000289463005 403975444 /nfs/dbraw/zinc/97/54/44/403975444.db2.gz QFNJTYGFAAESQF-HOCLYGCPSA-N 1 1 320.389 2.457 20 5 DEBDMO Cc1nnc([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000412033706 404071504 /nfs/dbraw/zinc/07/15/04/404071504.db2.gz SDYOXMUMVKLMNY-ZDUSSCGKSA-N 1 1 301.350 2.319 20 5 DEBDMO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000412033706 404071508 /nfs/dbraw/zinc/07/15/08/404071508.db2.gz SDYOXMUMVKLMNY-ZDUSSCGKSA-N 1 1 301.350 2.319 20 5 DEBDMO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000412033706 404071510 /nfs/dbraw/zinc/07/15/10/404071510.db2.gz SDYOXMUMVKLMNY-ZDUSSCGKSA-N 1 1 301.350 2.319 20 5 DEBDMO Cc1nc([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000412033706 404071513 /nfs/dbraw/zinc/07/15/13/404071513.db2.gz SDYOXMUMVKLMNY-ZDUSSCGKSA-N 1 1 301.350 2.319 20 5 DEBDMO Cc1nc([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000412033706 404071515 /nfs/dbraw/zinc/07/15/15/404071515.db2.gz SDYOXMUMVKLMNY-ZDUSSCGKSA-N 1 1 301.350 2.319 20 5 DEBDMO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](C)O ZINC000352202722 404210402 /nfs/dbraw/zinc/21/04/02/404210402.db2.gz LVVBDKSHZYFZCW-GFCCVEGCSA-N 1 1 319.361 2.495 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000290632259 404248815 /nfs/dbraw/zinc/24/88/15/404248815.db2.gz PLEYPALIJPPAIB-LLVKDONJSA-N 1 1 308.382 2.027 20 5 DEBDMO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000344889166 404427073 /nfs/dbraw/zinc/42/70/73/404427073.db2.gz LGFDWYICPFDAPW-CYBMUJFWSA-N 1 1 320.393 2.222 20 5 DEBDMO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000344889166 404427076 /nfs/dbraw/zinc/42/70/76/404427076.db2.gz LGFDWYICPFDAPW-CYBMUJFWSA-N 1 1 320.393 2.222 20 5 DEBDMO CN(C)C(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290937560 404366625 /nfs/dbraw/zinc/36/66/25/404366625.db2.gz STDQIKFBHQSUNA-UHFFFAOYSA-N 1 1 306.149 2.079 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000338551241 404399241 /nfs/dbraw/zinc/39/92/41/404399241.db2.gz PIQAGFZFGJZPTQ-NWDGAFQWSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000338551241 404399248 /nfs/dbraw/zinc/39/92/48/404399248.db2.gz PIQAGFZFGJZPTQ-NWDGAFQWSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000338551242 404400510 /nfs/dbraw/zinc/40/05/10/404400510.db2.gz PIQAGFZFGJZPTQ-RYUDHWBXSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000338551242 404400514 /nfs/dbraw/zinc/40/05/14/404400514.db2.gz PIQAGFZFGJZPTQ-RYUDHWBXSA-N 1 1 321.377 2.158 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356421853 404511683 /nfs/dbraw/zinc/51/16/83/404511683.db2.gz JHORLTKPIDDHJJ-QMTHXVAHSA-N 1 1 309.341 2.146 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356421848 404512516 /nfs/dbraw/zinc/51/25/16/404512516.db2.gz JHORLTKPIDDHJJ-IINYFYTJSA-N 1 1 309.341 2.146 20 5 DEBDMO C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352562931 404457444 /nfs/dbraw/zinc/45/74/44/404457444.db2.gz NOHUCDZBLMCDKT-CQSZACIVSA-N 1 1 319.405 2.470 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc([N+](=O)[O-])c1 ZINC000292057030 404648652 /nfs/dbraw/zinc/64/86/52/404648652.db2.gz BJKGHOURADVSIY-MRXNPFEDSA-N 1 1 303.362 2.071 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000356611739 404620889 /nfs/dbraw/zinc/62/08/89/404620889.db2.gz FJMBQRIIKMWQSO-GFCCVEGCSA-N 1 1 322.409 2.487 20 5 DEBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000356841697 404705825 /nfs/dbraw/zinc/70/58/25/404705825.db2.gz GPGJVZTUGUXYHL-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000356841697 404705828 /nfs/dbraw/zinc/70/58/28/404705828.db2.gz GPGJVZTUGUXYHL-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000567561363 292322036 /nfs/dbraw/zinc/32/20/36/292322036.db2.gz QVUFLPKBNQMSID-JTQLQIEISA-N 1 1 310.329 2.292 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000567561363 292322038 /nfs/dbraw/zinc/32/20/38/292322038.db2.gz QVUFLPKBNQMSID-JTQLQIEISA-N 1 1 310.329 2.292 20 5 DEBDMO COC(C)(C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353395448 404821543 /nfs/dbraw/zinc/82/15/43/404821543.db2.gz PJBIGGRZOWSDIJ-AWEZNQCLSA-N 1 1 318.377 2.432 20 5 DEBDMO C[C@H](CN1CCOCC1)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000435058112 404954072 /nfs/dbraw/zinc/95/40/72/404954072.db2.gz SONKRMLELITDRI-ZQMJAJRESA-N 1 1 319.405 2.261 20 5 DEBDMO CS[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000451321209 404954291 /nfs/dbraw/zinc/95/42/91/404954291.db2.gz NRXDFRKQQIQEBS-GFCCVEGCSA-N 1 1 309.391 2.279 20 5 DEBDMO CS[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000451321209 404954295 /nfs/dbraw/zinc/95/42/95/404954295.db2.gz NRXDFRKQQIQEBS-GFCCVEGCSA-N 1 1 309.391 2.279 20 5 DEBDMO Cc1csc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000353699049 404927398 /nfs/dbraw/zinc/92/73/98/404927398.db2.gz QDPWBWPEGNIUCA-NSHDSACASA-N 1 1 319.390 2.441 20 5 DEBDMO Cc1csc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000353699049 404927400 /nfs/dbraw/zinc/92/74/00/404927400.db2.gz QDPWBWPEGNIUCA-NSHDSACASA-N 1 1 319.390 2.441 20 5 DEBDMO C[C@]12C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452055497 405144351 /nfs/dbraw/zinc/14/43/51/405144351.db2.gz UKXFYVVZZPLBRF-RPCCPQHDSA-N 1 1 317.389 2.125 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425686231 405313657 /nfs/dbraw/zinc/31/36/57/405313657.db2.gz VPDHBBXDSLLSMU-IINYFYTJSA-N 1 1 322.340 2.292 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000440932300 405331113 /nfs/dbraw/zinc/33/11/13/405331113.db2.gz MSBWUYRZYHZPQA-SKDRFNHKSA-N 1 1 307.325 2.089 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC[NH2+]CC2(F)F)n1 ZINC000420268764 405304275 /nfs/dbraw/zinc/30/42/75/405304275.db2.gz ASADKPHCRQBTMK-SNVBAGLBSA-N 1 1 300.309 2.263 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420941885 405412073 /nfs/dbraw/zinc/41/20/73/405412073.db2.gz OKRDSGLTJHTLDO-CHWSQXEVSA-N 1 1 308.378 2.444 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000420629053 405364346 /nfs/dbraw/zinc/36/43/46/405364346.db2.gz BVDLBFLLCLLFFY-LLVKDONJSA-N 1 1 301.350 2.068 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)C[C@@H]1CCC[N@H+]1C ZINC000420641003 405366409 /nfs/dbraw/zinc/36/64/09/405366409.db2.gz UDTVEDFLPDMLAU-LBPRGKRZSA-N 1 1 321.377 2.220 20 5 DEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000446035820 405366872 /nfs/dbraw/zinc/36/68/72/405366872.db2.gz OAYHPDYBPKUXGS-SNVBAGLBSA-N 1 1 311.769 2.333 20 5 DEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000446035820 405366875 /nfs/dbraw/zinc/36/68/75/405366875.db2.gz OAYHPDYBPKUXGS-SNVBAGLBSA-N 1 1 311.769 2.333 20 5 DEBDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000429531342 405434945 /nfs/dbraw/zinc/43/49/45/405434945.db2.gz VGYYVUGKLHWTAZ-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000421130639 405450318 /nfs/dbraw/zinc/45/03/18/405450318.db2.gz YRUPZCDPFZZQTG-LBPRGKRZSA-N 1 1 310.329 2.292 20 5 DEBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000456174558 405528788 /nfs/dbraw/zinc/52/87/88/405528788.db2.gz HCFWUIGXZXIBOG-AWEZNQCLSA-N 1 1 306.366 2.448 20 5 DEBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000456174558 405528793 /nfs/dbraw/zinc/52/87/93/405528793.db2.gz HCFWUIGXZXIBOG-AWEZNQCLSA-N 1 1 306.366 2.448 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000580116416 405589710 /nfs/dbraw/zinc/58/97/10/405589710.db2.gz MZWUZVTWWHEZTR-OLZOCXBDSA-N 1 1 307.398 2.040 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000421709225 405603718 /nfs/dbraw/zinc/60/37/18/405603718.db2.gz DFCGBCMHYYCJON-HRCADAONSA-N 1 1 317.389 2.251 20 5 DEBDMO O=C1N[C@H]2CC[N@H+](CC=Cc3ccccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000495418568 405895610 /nfs/dbraw/zinc/89/56/10/405895610.db2.gz MWDDCVYNEMCTID-FJDWXNHUSA-N 1 1 317.345 2.038 20 5 DEBDMO CCOc1cc(N(C)[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000432927438 405837459 /nfs/dbraw/zinc/83/74/59/405837459.db2.gz MJOZJXIWHUHZPE-ZDUSSCGKSA-N 1 1 323.393 2.150 20 5 DEBDMO COc1cccc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000562467823 406014584 /nfs/dbraw/zinc/01/45/84/406014584.db2.gz FMMLDXOOJKVMAJ-LBPRGKRZSA-N 1 1 321.377 2.064 20 5 DEBDMO CCOc1cc(NC[C@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450599568 405973322 /nfs/dbraw/zinc/97/33/22/405973322.db2.gz SQLBVPJALBMUCW-CQSZACIVSA-N 1 1 323.393 2.252 20 5 DEBDMO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000466931967 406095248 /nfs/dbraw/zinc/09/52/48/406095248.db2.gz CNAPFQSLBITRMV-GUTXKFCHSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000524776506 406459959 /nfs/dbraw/zinc/45/99/59/406459959.db2.gz OLWHMYYWIZUZBY-JTQLQIEISA-N 1 1 311.769 2.320 20 5 DEBDMO C[N@@H+](CCOC[C@@H]1CCCO1)CCc1cccc([N+](=O)[O-])c1 ZINC000548934760 406568986 /nfs/dbraw/zinc/56/89/86/406568986.db2.gz RDGDHWMDXUEPEW-INIZCTEOSA-N 1 1 308.378 2.265 20 5 DEBDMO C[N@@H+](CCOC[C@H]1CCCO1)CCc1cccc([N+](=O)[O-])c1 ZINC000548934761 406568196 /nfs/dbraw/zinc/56/81/96/406568196.db2.gz RDGDHWMDXUEPEW-MRXNPFEDSA-N 1 1 308.378 2.265 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000549723932 406590319 /nfs/dbraw/zinc/59/03/19/406590319.db2.gz GUYABBCNNNIMTR-UHFFFAOYSA-N 1 1 305.378 2.323 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000549723932 406590323 /nfs/dbraw/zinc/59/03/23/406590323.db2.gz GUYABBCNNNIMTR-UHFFFAOYSA-N 1 1 305.378 2.323 20 5 DEBDMO CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491685287 406669559 /nfs/dbraw/zinc/66/95/59/406669559.db2.gz KTFAHAYOVSVWKZ-WUKHSURWSA-N 1 1 315.373 2.303 20 5 DEBDMO C[C@H](C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000572830119 406745683 /nfs/dbraw/zinc/74/56/83/406745683.db2.gz HBKKJUZTFDVIOX-WQGACYEGSA-N 1 1 317.389 2.297 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491890417 406766260 /nfs/dbraw/zinc/76/62/60/406766260.db2.gz XRGFMRYJWVDFLO-FVOPLDGLSA-N 1 1 321.352 2.300 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000491913864 406776435 /nfs/dbraw/zinc/77/64/35/406776435.db2.gz KJLIABQPOPFEDV-JDRNFJBZSA-N 1 1 321.352 2.346 20 5 DEBDMO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000555312664 406840385 /nfs/dbraw/zinc/84/03/85/406840385.db2.gz SJDFANPZIQAFHI-XEZPLFJOSA-N 1 1 319.405 2.497 20 5 DEBDMO Cc1c(CC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000129173346 196025715 /nfs/dbraw/zinc/02/57/15/196025715.db2.gz LGTQFUMYPHBFDM-BXUZGUMPSA-N 1 1 317.389 2.187 20 5 DEBDMO CC[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)C(N)=O ZINC000133274883 196326778 /nfs/dbraw/zinc/32/67/78/196326778.db2.gz KXRDPVUHNDMHRN-HNNXBMFYSA-N 1 1 309.366 2.126 20 5 DEBDMO Cc1cc(OCC(=O)N[C@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000290950656 222025443 /nfs/dbraw/zinc/02/54/43/222025443.db2.gz PWOZFKVARZHVTC-CYBMUJFWSA-N 1 1 323.393 2.127 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000357320688 424815263 /nfs/dbraw/zinc/81/52/63/424815263.db2.gz DLVLUUCQDJNJIZ-LBPRGKRZSA-N 1 1 315.377 2.682 20 5 DEBDMO COC1(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000361554613 424845376 /nfs/dbraw/zinc/84/53/76/424845376.db2.gz UOHIOABYUDPXEN-CYBMUJFWSA-N 1 1 320.393 2.435 20 5 DEBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])s1)CCC(F)(F)F ZINC000336919243 424926524 /nfs/dbraw/zinc/92/65/24/424926524.db2.gz FIJQDTNUWBJTLY-UHFFFAOYSA-N 1 1 312.317 2.738 20 5 DEBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000026156581 267360379 /nfs/dbraw/zinc/36/03/79/267360379.db2.gz IIDVAZGBVBOBFU-TXEJJXNPSA-N 1 1 307.350 2.033 20 5 DEBDMO Cc1cc(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000367517766 269078196 /nfs/dbraw/zinc/07/81/96/269078196.db2.gz LMQPDNQHXPCRGC-OAHLLOKOSA-N 1 1 318.421 2.484 20 5 DEBDMO C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000519853831 269430828 /nfs/dbraw/zinc/43/08/28/269430828.db2.gz LWCIQPXFVILDFW-DGCLKSJQSA-N 1 1 303.362 2.051 20 5 DEBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](CCOC2CCC2)CC1 ZINC000287510895 275040263 /nfs/dbraw/zinc/04/02/63/275040263.db2.gz YLNWLTYCGCOXCT-UHFFFAOYSA-N 1 1 305.378 2.286 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000408461671 277149481 /nfs/dbraw/zinc/14/94/81/277149481.db2.gz AYRGGBYXWLPVDH-RNCFNFMXSA-N 1 1 309.753 2.024 20 5 DEBDMO CC[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176009922 279030214 /nfs/dbraw/zinc/03/02/14/279030214.db2.gz CCUWFUSFFPKGQS-LBPRGKRZSA-N 1 1 308.382 2.215 20 5 DEBDMO C[C@H]1[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345282668 280106063 /nfs/dbraw/zinc/10/60/63/280106063.db2.gz GIKFQRWZHQHGJV-CABZTGNLSA-N 1 1 311.769 2.461 20 5 DEBDMO COCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000112353745 281689804 /nfs/dbraw/zinc/68/98/04/281689804.db2.gz PMEJYNQKCSJXAC-LBPRGKRZSA-N 1 1 321.377 2.280 20 5 DEBDMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225784 282064627 /nfs/dbraw/zinc/06/46/27/282064627.db2.gz WYOJXXSIRSUVHV-HNNXBMFYSA-N 1 1 308.378 2.345 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000289980744 290266766 /nfs/dbraw/zinc/26/67/66/290266766.db2.gz XPOVNKIYLGPBIF-IIAWOOMASA-N 1 1 319.405 2.451 20 5 DEBDMO CSc1cccc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000576674275 326310138 /nfs/dbraw/zinc/31/01/38/326310138.db2.gz BSVLWHAQGAOJJR-CMPLNLGQSA-N 1 1 321.402 2.093 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000152562541 517660288 /nfs/dbraw/zinc/66/02/88/517660288.db2.gz HUAJJCXQRGEZOX-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000338420466 520583051 /nfs/dbraw/zinc/58/30/51/520583051.db2.gz FGLNHEOWZCVQMT-GFCCVEGCSA-N 1 1 323.397 2.011 20 5 DEBDMO COc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000247008804 524036886 /nfs/dbraw/zinc/03/68/86/524036886.db2.gz PXJQVOVMVUXISL-IUODEOHRSA-N 1 1 324.402 2.310 20 5 DEBDMO COc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000247008804 524036890 /nfs/dbraw/zinc/03/68/90/524036890.db2.gz PXJQVOVMVUXISL-IUODEOHRSA-N 1 1 324.402 2.310 20 5 DEBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000298926760 534777002 /nfs/dbraw/zinc/77/70/02/534777002.db2.gz AGTZSMDMQNQMBZ-HKFHSAMXSA-N 1 1 315.373 2.351 20 5 DEBDMO Cc1c(CC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000161707427 525692471 /nfs/dbraw/zinc/69/24/71/525692471.db2.gz BMGWJEAJCDOYRE-ZDUSSCGKSA-N 1 1 319.405 2.294 20 5 DEBDMO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000364267859 526984201 /nfs/dbraw/zinc/98/42/01/526984201.db2.gz DPPYMCJIHRMRHF-HOTGVXAUSA-N 1 1 318.373 2.207 20 5 DEBDMO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000364267859 526984206 /nfs/dbraw/zinc/98/42/06/526984206.db2.gz DPPYMCJIHRMRHF-HOTGVXAUSA-N 1 1 318.373 2.207 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301961030 528026862 /nfs/dbraw/zinc/02/68/62/528026862.db2.gz MMRSLGXXQHRNLW-GFCCVEGCSA-N 1 1 318.381 2.027 20 5 DEBDMO CC(C)c1ccc(CN2CCC(O)(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415136209 528091979 /nfs/dbraw/zinc/09/19/79/528091979.db2.gz CGNKJBDZQHGJBW-UHFFFAOYSA-N 1 1 307.394 2.004 20 5 DEBDMO CC(C)[C@@]1(CO)CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000292985054 528894515 /nfs/dbraw/zinc/89/45/15/528894515.db2.gz HQUPKCNLKFYBRA-SJORKVTESA-N 1 1 322.405 2.359 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000193565788 529083229 /nfs/dbraw/zinc/08/32/29/529083229.db2.gz FEZUEWUUYUUESL-GFCCVEGCSA-N 1 1 318.377 2.376 20 5 DEBDMO CCN1CC[NH+](CC(C)(C)Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000450921292 535674709 /nfs/dbraw/zinc/67/47/09/535674709.db2.gz GKQGJUZZTIPCSC-UHFFFAOYSA-N 1 1 321.425 2.126 20 5 DEBDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000359869202 536519595 /nfs/dbraw/zinc/51/95/95/536519595.db2.gz CZBYAAGQHWHGSS-YPMHNXCESA-N 1 1 321.377 2.124 20 5 DEBDMO COC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246734218 536759453 /nfs/dbraw/zinc/75/94/53/536759453.db2.gz LNJQFOXVOOQBFX-QWHCGFSZSA-N 1 1 321.377 2.280 20 5 DEBDMO CC(C)Oc1nc(N2CCC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001327710214 1148629448 /nfs/dbraw/zinc/62/94/48/1148629448.db2.gz DHVNEHHQKKQEOD-CYBMUJFWSA-N 1 1 320.393 2.452 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)CC2CCOCC2)c1[N+](=O)[O-] ZINC000892004822 624738096 /nfs/dbraw/zinc/73/80/96/624738096.db2.gz SNGWPCSVDSYXNY-UHFFFAOYSA-N 1 1 310.350 2.167 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892144175 624795661 /nfs/dbraw/zinc/79/56/61/624795661.db2.gz LRORCZKYEDRODQ-LBPRGKRZSA-N 1 1 323.393 2.083 20 5 DEBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000153817563 634824932 /nfs/dbraw/zinc/82/49/32/634824932.db2.gz QHSYCCZQIJVKQV-AWEZNQCLSA-N 1 1 309.341 2.146 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000153817563 634824941 /nfs/dbraw/zinc/82/49/41/634824941.db2.gz QHSYCCZQIJVKQV-AWEZNQCLSA-N 1 1 309.341 2.146 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000893467911 633805902 /nfs/dbraw/zinc/80/59/02/633805902.db2.gz XXUAYMBTUFBPSE-UHFFFAOYSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C(C)(C)C2)c1C ZINC000893467911 633805906 /nfs/dbraw/zinc/80/59/06/633805906.db2.gz XXUAYMBTUFBPSE-UHFFFAOYSA-N 1 1 305.378 2.378 20 5 DEBDMO O=C(CC1CC1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980604465 635056774 /nfs/dbraw/zinc/05/67/74/635056774.db2.gz BGDLEDRUZLLQAL-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO O=C(CC1CC1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980604465 635056775 /nfs/dbraw/zinc/05/67/75/635056775.db2.gz BGDLEDRUZLLQAL-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO C[C@H]([NH2+]Cc1c2c(nn1C)CCOC2)c1ccccc1[N+](=O)[O-] ZINC000921965948 635768859 /nfs/dbraw/zinc/76/88/59/635768859.db2.gz FJQAJKRXNOXESR-NSHDSACASA-N 1 1 316.361 2.252 20 5 DEBDMO O=C(NC1CC[NH+](CCCC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002792794 635799569 /nfs/dbraw/zinc/79/95/69/635799569.db2.gz OVBDKQSSZHQPOR-HZPDHXFCSA-N 1 1 323.437 2.203 20 5 DEBDMO CC(=O)N1C[C@]2(C)C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000982177065 635896727 /nfs/dbraw/zinc/89/67/27/635896727.db2.gz BULPJVUVCSITJY-GASCZTMLSA-N 1 1 323.418 2.347 20 5 DEBDMO CC(=O)N1C[C@]2(C)C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000982177065 635896730 /nfs/dbraw/zinc/89/67/30/635896730.db2.gz BULPJVUVCSITJY-GASCZTMLSA-N 1 1 323.418 2.347 20 5 DEBDMO CCC(=O)c1ccc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893938179 636069691 /nfs/dbraw/zinc/06/96/91/636069691.db2.gz BWGMCDNYYJWVJH-SWLSCSKDSA-N 1 1 303.362 2.328 20 5 DEBDMO CCc1[nH]nc(C(=O)OC[C@@H]2CCCC[N@H+]2C(C)C)c1[N+](=O)[O-] ZINC000837656668 650240369 /nfs/dbraw/zinc/24/03/69/650240369.db2.gz HGMIXORLNBZGHA-NSHDSACASA-N 1 1 324.381 2.300 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000923299795 637093682 /nfs/dbraw/zinc/09/36/82/637093682.db2.gz ZWKIVUXHPZMENH-CMPLNLGQSA-N 1 1 307.325 2.043 20 5 DEBDMO Cc1cc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928431059 637165592 /nfs/dbraw/zinc/16/55/92/637165592.db2.gz BDCHDOQTOPKTQO-BXKDBHETSA-N 1 1 311.769 2.379 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1[N+](=O)[O-] ZINC000894795365 637211883 /nfs/dbraw/zinc/21/18/83/637211883.db2.gz ZYLRWGCULAPWQA-NEPJUHHUSA-N 1 1 322.361 2.166 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1[N+](=O)[O-] ZINC000894795365 637211888 /nfs/dbraw/zinc/21/18/88/637211888.db2.gz ZYLRWGCULAPWQA-NEPJUHHUSA-N 1 1 322.361 2.166 20 5 DEBDMO COc1cc(N[C@H]2Cc3c[nH+]cn3C2)c(Cl)cc1[N+](=O)[O-] ZINC000894995305 637368349 /nfs/dbraw/zinc/36/83/49/637368349.db2.gz AVZJVFQGLOKUAE-QMMMGPOBSA-N 1 1 308.725 2.490 20 5 DEBDMO C[C@H](NC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000895067861 637473067 /nfs/dbraw/zinc/47/30/67/637473067.db2.gz XIPCIDNZLGFJNP-SWLSCSKDSA-N 1 1 320.393 2.391 20 5 DEBDMO C[N@@H+](CCCCNC(=O)c1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000839438872 637878315 /nfs/dbraw/zinc/87/83/15/637878315.db2.gz FXWPXUTVJFKEBD-UHFFFAOYSA-N 1 1 309.341 2.338 20 5 DEBDMO CCC1(O)CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000742174495 638040230 /nfs/dbraw/zinc/04/02/30/638040230.db2.gz BGWYTBOYQBRDPI-UHFFFAOYSA-N 1 1 304.350 2.139 20 5 DEBDMO CCON(CC)C(=O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895558180 638083602 /nfs/dbraw/zinc/08/36/02/638083602.db2.gz IBGROEYJNOAMAB-UHFFFAOYSA-N 1 1 315.757 2.138 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCn2nncc2C1 ZINC000895755201 638182544 /nfs/dbraw/zinc/18/25/44/638182544.db2.gz FEGXLQWHIQJXHA-JYRVWZFOSA-N 1 1 313.361 2.496 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC(NC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000841033193 650410249 /nfs/dbraw/zinc/41/02/49/650410249.db2.gz OWOJVWKDQCFYQI-HNNXBMFYSA-N 1 1 318.421 2.295 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000896061205 638332988 /nfs/dbraw/zinc/33/29/88/638332988.db2.gz YTEMUIRYPPGEBZ-BXUZGUMPSA-N 1 1 322.361 2.310 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c(F)c1 ZINC000748272522 638536624 /nfs/dbraw/zinc/53/66/24/638536624.db2.gz NGRWIWUPNUJRQD-CQSZACIVSA-N 1 1 323.368 2.425 20 5 DEBDMO C[C@@H](NC(=O)NCC[N@H+]1CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000896612553 638603929 /nfs/dbraw/zinc/60/39/29/638603929.db2.gz KQPJXORZKJCWCA-QWHCGFSZSA-N 1 1 320.393 2.439 20 5 DEBDMO C[NH+](C)C1(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000749645988 638668783 /nfs/dbraw/zinc/66/87/83/638668783.db2.gz JHPXJMLRPMSXRT-INIZCTEOSA-N 1 1 321.421 2.482 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000751387381 639077159 /nfs/dbraw/zinc/07/71/59/639077159.db2.gz RWBBMLQALXIJGJ-LLVKDONJSA-N 1 1 309.341 2.196 20 5 DEBDMO C[N@@H+](CC1=CCCCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430230 639396534 /nfs/dbraw/zinc/39/65/34/639396534.db2.gz BLMBRCGNEMLRKL-HZPDHXFCSA-N 1 1 321.421 2.075 20 5 DEBDMO C[N@H+](CC1=CCCCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430230 639396538 /nfs/dbraw/zinc/39/65/38/639396538.db2.gz BLMBRCGNEMLRKL-HZPDHXFCSA-N 1 1 321.421 2.075 20 5 DEBDMO C[N@@H+](CC1=CCCCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430230 639396542 /nfs/dbraw/zinc/39/65/42/639396542.db2.gz BLMBRCGNEMLRKL-HZPDHXFCSA-N 1 1 321.421 2.075 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000756887082 639710090 /nfs/dbraw/zinc/71/00/90/639710090.db2.gz MTTNLHKJUXUSQW-DOMZBBRYSA-N 1 1 316.361 2.403 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000839729317 639827353 /nfs/dbraw/zinc/82/73/53/639827353.db2.gz VWWKPTTWDFOMTJ-SNVBAGLBSA-N 1 1 311.769 2.462 20 5 DEBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000757642270 639862763 /nfs/dbraw/zinc/86/27/63/639862763.db2.gz KWQBCVLKEOUUNE-NSHDSACASA-N 1 1 304.325 2.457 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000758370241 639952204 /nfs/dbraw/zinc/95/22/04/639952204.db2.gz IXOAUCCQXHFUEN-JTQLQIEISA-N 1 1 310.329 2.340 20 5 DEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000740839458 640115639 /nfs/dbraw/zinc/11/56/39/640115639.db2.gz KUNXHGKZJWOROW-WCQYABFASA-N 1 1 320.393 2.122 20 5 DEBDMO Cc1cccc2c1CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000761659352 640333783 /nfs/dbraw/zinc/33/37/83/640333783.db2.gz WSNZWWLMEWWAIF-UHFFFAOYSA-N 1 1 313.357 2.123 20 5 DEBDMO O=C1OCCN1CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000764493107 640645701 /nfs/dbraw/zinc/64/57/01/640645701.db2.gz NUSDYNLIWLHSPX-UHFFFAOYSA-N 1 1 319.361 2.402 20 5 DEBDMO CCC[C@]1(CO)CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000769912194 641308411 /nfs/dbraw/zinc/30/84/11/641308411.db2.gz CIJDJWNZDQRZSR-HZPDHXFCSA-N 1 1 308.378 2.255 20 5 DEBDMO O=C(OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842307220 650701907 /nfs/dbraw/zinc/70/19/07/650701907.db2.gz PCABCNDJCREPJS-ARFHVFGLSA-N 1 1 318.373 2.107 20 5 DEBDMO O=C(OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842307220 650701911 /nfs/dbraw/zinc/70/19/11/650701911.db2.gz PCABCNDJCREPJS-ARFHVFGLSA-N 1 1 318.373 2.107 20 5 DEBDMO O=C(OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842307220 650701915 /nfs/dbraw/zinc/70/19/15/650701915.db2.gz PCABCNDJCREPJS-ARFHVFGLSA-N 1 1 318.373 2.107 20 5 DEBDMO Cc1nn(C[N@H+]2CCOCC[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000774659004 641938593 /nfs/dbraw/zinc/93/85/93/641938593.db2.gz FLGTUUUEJZXNQY-NSHDSACASA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1nn(C[N@@H+]2CCOCC[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000774659004 641938597 /nfs/dbraw/zinc/93/85/97/641938597.db2.gz FLGTUUUEJZXNQY-NSHDSACASA-N 1 1 304.350 2.321 20 5 DEBDMO CCN1CCC([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776280040 642152992 /nfs/dbraw/zinc/15/29/92/642152992.db2.gz WGOAIHXTPMHTNO-MRXNPFEDSA-N 1 1 307.394 2.044 20 5 DEBDMO CCN1CCC([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776280040 642152995 /nfs/dbraw/zinc/15/29/95/642152995.db2.gz WGOAIHXTPMHTNO-MRXNPFEDSA-N 1 1 307.394 2.044 20 5 DEBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585327 642188071 /nfs/dbraw/zinc/18/80/71/642188071.db2.gz VKFOBJGCPAQORW-JYJNAYRXSA-N 1 1 308.378 2.254 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000776590974 642189558 /nfs/dbraw/zinc/18/95/58/642189558.db2.gz LAGAKPYAAORNMP-HIFRSBDPSA-N 1 1 316.361 2.231 20 5 DEBDMO C[N@@H+](C[C@@H]1CCOC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777964888 642326356 /nfs/dbraw/zinc/32/63/56/642326356.db2.gz UCWQPGMXURPULJ-ZDUSSCGKSA-N 1 1 316.361 2.384 20 5 DEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900857308 642493965 /nfs/dbraw/zinc/49/39/65/642493965.db2.gz HWUJKVFSINAQCJ-GDBMZVCRSA-N 1 1 317.389 2.270 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000782147389 642831412 /nfs/dbraw/zinc/83/14/12/642831412.db2.gz BZWRFLFUVKHTJU-NSHDSACASA-N 1 1 301.350 2.434 20 5 DEBDMO NC(C[NH+]1CCCCC1)=NOCc1ccc([N+](=O)[O-])c(F)c1 ZINC000902655709 643096735 /nfs/dbraw/zinc/09/67/35/643096735.db2.gz RYTYLIAFDLDISO-UHFFFAOYSA-N 1 1 310.329 2.218 20 5 DEBDMO Cc1nn(C[N@@H+]2CCSC[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000792722028 644142638 /nfs/dbraw/zinc/14/26/38/644142638.db2.gz IGVQNSYVQGQXFC-SNVBAGLBSA-N 1 1 321.406 2.290 20 5 DEBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000906451469 644253673 /nfs/dbraw/zinc/25/36/73/644253673.db2.gz FHLNWAPWGGGVMP-ZDUSSCGKSA-N 1 1 305.378 2.397 20 5 DEBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000906451469 644253675 /nfs/dbraw/zinc/25/36/75/644253675.db2.gz FHLNWAPWGGGVMP-ZDUSSCGKSA-N 1 1 305.378 2.397 20 5 DEBDMO CC(C)c1[nH]nc(C(=O)OCC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000796253379 644707518 /nfs/dbraw/zinc/70/75/18/644707518.db2.gz IRVCSECIXQGHRC-LLVKDONJSA-N 1 1 324.381 2.473 20 5 DEBDMO Cc1ccncc1C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796511637 644748166 /nfs/dbraw/zinc/74/81/66/644748166.db2.gz YZSZRFMRCDMSEC-MRXNPFEDSA-N 1 1 301.346 2.464 20 5 DEBDMO Cc1noc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000796695810 644777862 /nfs/dbraw/zinc/77/78/62/644777862.db2.gz PMIBOGTZKAYYDI-KGLIPLIRSA-N 1 1 318.333 2.157 20 5 DEBDMO Cc1noc([C@H]2CCC[N@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000796695810 644777865 /nfs/dbraw/zinc/77/78/65/644777865.db2.gz PMIBOGTZKAYYDI-KGLIPLIRSA-N 1 1 318.333 2.157 20 5 DEBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])cn2)C1 ZINC000799158068 645135655 /nfs/dbraw/zinc/13/56/55/645135655.db2.gz YLVIWUYHTSNJGW-RZFFKMDDSA-N 1 1 308.382 2.010 20 5 DEBDMO CC[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000799164887 645137679 /nfs/dbraw/zinc/13/76/79/645137679.db2.gz WDULJJNOLJRZDA-CQSZACIVSA-N 1 1 304.350 2.403 20 5 DEBDMO CC[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000799164887 645137684 /nfs/dbraw/zinc/13/76/84/645137684.db2.gz WDULJJNOLJRZDA-CQSZACIVSA-N 1 1 304.350 2.403 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910278277 645384294 /nfs/dbraw/zinc/38/42/94/645384294.db2.gz CRFLFMIHUYQKLT-ZDUSSCGKSA-N 1 1 305.378 2.460 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000910290585 645392741 /nfs/dbraw/zinc/39/27/41/645392741.db2.gz ZMDGCFIZZZECRT-ZDUSSCGKSA-N 1 1 305.378 2.460 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000910292166 645406632 /nfs/dbraw/zinc/40/66/32/645406632.db2.gz HAERFVRERBYYNB-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO CCCC[N@H+](C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839958799 645508890 /nfs/dbraw/zinc/50/88/90/645508890.db2.gz JITXIWXQSSDEJO-OAHLLOKOSA-N 1 1 307.350 2.221 20 5 DEBDMO CCCC[N@@H+](C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839958799 645508894 /nfs/dbraw/zinc/50/88/94/645508894.db2.gz JITXIWXQSSDEJO-OAHLLOKOSA-N 1 1 307.350 2.221 20 5 DEBDMO CC(C)[C@@H](C)[N@@H+](C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839960291 645510458 /nfs/dbraw/zinc/51/04/58/645510458.db2.gz JTKNPQFOJBHUSE-MLGOLLRUSA-N 1 1 321.377 2.466 20 5 DEBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+](CC2CC2)CC1 ZINC000804361223 645760418 /nfs/dbraw/zinc/76/04/18/645760418.db2.gz JRDZWKSZPFCIFG-UHFFFAOYSA-N 1 1 306.322 2.035 20 5 DEBDMO CCOC1CC([N@@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000808213935 646057272 /nfs/dbraw/zinc/05/72/72/646057272.db2.gz UBCJGDVXTSGNHD-UHFFFAOYSA-N 1 1 304.350 2.401 20 5 DEBDMO C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912654005 646130678 /nfs/dbraw/zinc/13/06/78/646130678.db2.gz YCOMISCGGJOVBU-CQSZACIVSA-N 1 1 303.362 2.358 20 5 DEBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912654005 646130680 /nfs/dbraw/zinc/13/06/80/646130680.db2.gz YCOMISCGGJOVBU-CQSZACIVSA-N 1 1 303.362 2.358 20 5 DEBDMO Cc1cc(F)cc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000150864453 646140722 /nfs/dbraw/zinc/14/07/22/646140722.db2.gz AUURTOVBKYDEKX-GFCCVEGCSA-N 1 1 309.341 2.209 20 5 DEBDMO CC1(C)C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]2COC[C@@H]21 ZINC000840151735 646162705 /nfs/dbraw/zinc/16/27/05/646162705.db2.gz BEAOGCVZZGIHLB-DZGCQCFKSA-N 1 1 316.361 2.259 20 5 DEBDMO CC1(C)C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]2COC[C@@H]21 ZINC000840151735 646162709 /nfs/dbraw/zinc/16/27/09/646162709.db2.gz BEAOGCVZZGIHLB-DZGCQCFKSA-N 1 1 316.361 2.259 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913291288 646317929 /nfs/dbraw/zinc/31/79/29/646317929.db2.gz VUPGDXUYFOHJPY-CALCHBBNSA-N 1 1 317.389 2.317 20 5 DEBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@]2(C)C1 ZINC000913289609 646318046 /nfs/dbraw/zinc/31/80/46/646318046.db2.gz LKSNCPVUWGUKRV-IYBDPMFKSA-N 1 1 321.352 2.148 20 5 DEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000913536508 646384536 /nfs/dbraw/zinc/38/45/36/646384536.db2.gz DTYVEDMHTFIXIC-BETUJISGSA-N 1 1 323.780 2.096 20 5 DEBDMO CC(C)[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000812290796 646625861 /nfs/dbraw/zinc/62/58/61/646625861.db2.gz JIUZCOCSVXTCDU-CQSZACIVSA-N 1 1 304.350 2.401 20 5 DEBDMO O=C(NCC[NH+]1CCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813496727 646778867 /nfs/dbraw/zinc/77/88/67/646778867.db2.gz PLMOURNIOHSZMH-UHFFFAOYSA-N 1 1 318.160 2.337 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000814938265 646949476 /nfs/dbraw/zinc/94/94/76/646949476.db2.gz YGPUNMLSVNTESK-GFCCVEGCSA-N 1 1 318.377 2.010 20 5 DEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000816949740 647203970 /nfs/dbraw/zinc/20/39/70/647203970.db2.gz CSECMTDIXMDUDJ-TVQRCGJNSA-N 1 1 309.753 2.024 20 5 DEBDMO C[C@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000818968970 647552831 /nfs/dbraw/zinc/55/28/31/647552831.db2.gz HZHPRYXJELDLPD-PBHICJAKSA-N 1 1 321.421 2.340 20 5 DEBDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818973418 647553980 /nfs/dbraw/zinc/55/39/80/647553980.db2.gz PQTPJZRFFZAGDG-JKIFEVAISA-N 1 1 321.421 2.338 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818973418 647553982 /nfs/dbraw/zinc/55/39/82/647553982.db2.gz PQTPJZRFFZAGDG-JKIFEVAISA-N 1 1 321.421 2.338 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000819174818 647601233 /nfs/dbraw/zinc/60/12/33/647601233.db2.gz YEBBCVYZCROSSA-KBPBESRZSA-N 1 1 302.334 2.019 20 5 DEBDMO C[N@@H+](CC[C@H]1CCNC1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821391105 648051945 /nfs/dbraw/zinc/05/19/45/648051945.db2.gz HQLNTENHTLKXAC-SNVBAGLBSA-N 1 1 311.769 2.206 20 5 DEBDMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000823985905 648508242 /nfs/dbraw/zinc/50/82/42/648508242.db2.gz FCKHMSIHNHKSHH-CMPLNLGQSA-N 1 1 321.381 2.123 20 5 DEBDMO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826689894 648907443 /nfs/dbraw/zinc/90/74/43/648907443.db2.gz OMDYLRLACYMXGY-CQSZACIVSA-N 1 1 305.378 2.125 20 5 DEBDMO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826689894 648907446 /nfs/dbraw/zinc/90/74/46/648907446.db2.gz OMDYLRLACYMXGY-CQSZACIVSA-N 1 1 305.378 2.125 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827355749 649021741 /nfs/dbraw/zinc/02/17/41/649021741.db2.gz LHJBMTUEUKFHEJ-MFKMUULPSA-N 1 1 323.780 2.414 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000827491915 649042454 /nfs/dbraw/zinc/04/24/54/649042454.db2.gz YDMWUIREEIBKSJ-CQSZACIVSA-N 1 1 309.341 2.146 20 5 DEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000828420051 649176515 /nfs/dbraw/zinc/17/65/15/649176515.db2.gz AWJWYIPHSIBOHH-CQSZACIVSA-N 1 1 321.377 2.056 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000829120698 649274922 /nfs/dbraw/zinc/27/49/22/649274922.db2.gz LRECPGRDCVENLK-LBPRGKRZSA-N 1 1 303.366 2.163 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000830219310 649411545 /nfs/dbraw/zinc/41/15/45/649411545.db2.gz NRUFMPOHVKXPRT-JKSUJKDBSA-N 1 1 306.362 2.129 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000830219310 649411548 /nfs/dbraw/zinc/41/15/48/649411548.db2.gz NRUFMPOHVKXPRT-JKSUJKDBSA-N 1 1 306.362 2.129 20 5 DEBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)nc1 ZINC000831058128 649534251 /nfs/dbraw/zinc/53/42/51/649534251.db2.gz AJBQTXIBBTZIFH-MRXNPFEDSA-N 1 1 301.346 2.464 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000831164312 649546433 /nfs/dbraw/zinc/54/64/33/649546433.db2.gz BNBRVTCFUAYHAR-VVLHAWIVSA-N 1 1 320.389 2.254 20 5 DEBDMO COc1cccc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000847821288 651420653 /nfs/dbraw/zinc/42/06/53/651420653.db2.gz CTZJDDVSMPQFOQ-NSHDSACASA-N 1 1 308.334 2.102 20 5 DEBDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000848519734 651465715 /nfs/dbraw/zinc/46/57/15/651465715.db2.gz OQPNLSGMHCBRBL-QPUJVOFHSA-N 1 1 307.306 2.116 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](C2CC2)C2(CO)CCC2)cc1 ZINC000852160103 652355099 /nfs/dbraw/zinc/35/50/99/652355099.db2.gz ZCJNKLQUQNEJOK-HNNXBMFYSA-N 1 1 306.362 2.008 20 5 DEBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1CCO ZINC000852462967 652404707 /nfs/dbraw/zinc/40/47/07/652404707.db2.gz SAQPBDWLIBTAMD-BXUZGUMPSA-N 1 1 323.349 2.486 20 5 DEBDMO C[C@H](O)C[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853265159 652531252 /nfs/dbraw/zinc/53/12/52/652531252.db2.gz HZSQIPJHIPOVPL-JTQLQIEISA-N 1 1 315.320 2.035 20 5 DEBDMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928245087 693747583 /nfs/dbraw/zinc/74/75/83/693747583.db2.gz JUQIWVBIXGOEBR-IAQYHMDHSA-N 1 1 303.362 2.399 20 5 DEBDMO Cc1cc(F)cc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000130343852 684187951 /nfs/dbraw/zinc/18/79/51/684187951.db2.gz UHGJLBYBGSIWFX-SNVBAGLBSA-N 1 1 309.341 2.255 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000929092289 693893629 /nfs/dbraw/zinc/89/36/29/693893629.db2.gz RXIIMCHRQPWHNQ-LLVKDONJSA-N 1 1 322.365 2.209 20 5 DEBDMO COC/C(C)=C\C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000929153976 693907090 /nfs/dbraw/zinc/90/70/90/693907090.db2.gz DIRCYYYZZRWMHP-AUWJEWJLSA-N 1 1 305.378 2.310 20 5 DEBDMO COC/C(C)=C\C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000929268175 693927741 /nfs/dbraw/zinc/92/77/41/693927741.db2.gz BUAKPLUYGNTLOU-NSIKDUERSA-N 1 1 305.378 2.310 20 5 DEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1(O)CCC1 ZINC000929337207 693939316 /nfs/dbraw/zinc/93/93/16/693939316.db2.gz CETKXKSFTOVDDM-OAHLLOKOSA-N 1 1 308.378 2.081 20 5 DEBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000859284624 685698235 /nfs/dbraw/zinc/69/82/35/685698235.db2.gz MKHAWHVMRWXGKK-NSHDSACASA-N 1 1 323.780 2.462 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859775592 685820262 /nfs/dbraw/zinc/82/02/62/685820262.db2.gz WOFUKDVVTUDQHR-JTQLQIEISA-N 1 1 311.769 2.320 20 5 DEBDMO CC(C)(CCC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[N+](=O)[O-] ZINC000862630538 686344200 /nfs/dbraw/zinc/34/42/00/686344200.db2.gz ZGLSXDKASYBFTF-CQSZACIVSA-N 1 1 311.426 2.345 20 5 DEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000863031588 686422302 /nfs/dbraw/zinc/42/23/02/686422302.db2.gz IFKRGGDTXWSQFF-ZDUSSCGKSA-N 1 1 321.352 2.481 20 5 DEBDMO C[N@@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)CC1(C)COC1 ZINC000863296180 686471679 /nfs/dbraw/zinc/47/16/79/686471679.db2.gz KNJSBIIQJDZZBY-UHFFFAOYSA-N 1 1 316.361 2.384 20 5 DEBDMO CC(C)(Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1)[N+](=O)[O-] ZINC000864642583 686790441 /nfs/dbraw/zinc/79/04/41/686790441.db2.gz RBZSPQNGKCPVJJ-HNNXBMFYSA-N 1 1 315.377 2.111 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)CC[C@H]21 ZINC000865618070 687279029 /nfs/dbraw/zinc/27/90/29/687279029.db2.gz SEHCNPHLTXDYNI-SMDDNHRTSA-N 1 1 323.368 2.147 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@](O)(C(F)F)C3)c2c1 ZINC000865849800 687354394 /nfs/dbraw/zinc/35/43/94/687354394.db2.gz PXXVYBWPDDVMQG-CQSZACIVSA-N 1 1 309.272 2.349 20 5 DEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865893875 687370286 /nfs/dbraw/zinc/37/02/86/687370286.db2.gz DVBRHLFPXZRTOC-GFCCVEGCSA-N 1 1 323.368 2.077 20 5 DEBDMO C[N@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1(C)C ZINC000865914373 687377335 /nfs/dbraw/zinc/37/73/35/687377335.db2.gz KJRPETZSQCPBOK-UHFFFAOYSA-N 1 1 318.377 2.010 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866000398 687405114 /nfs/dbraw/zinc/40/51/14/687405114.db2.gz YJYZIVBJVJFBJC-CQSZACIVSA-N 1 1 323.368 2.075 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866205048 687491745 /nfs/dbraw/zinc/49/17/45/687491745.db2.gz JJPNFEDYSARREU-SWLSCSKDSA-N 1 1 305.378 2.272 20 5 DEBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)c1ncn(C)n1 ZINC000866343099 687541343 /nfs/dbraw/zinc/54/13/43/687541343.db2.gz HVKJYMMSAMRSLV-NXEZZACHSA-N 1 1 307.329 2.144 20 5 DEBDMO C[C@H]1CCCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867978132 687857719 /nfs/dbraw/zinc/85/77/19/687857719.db2.gz VDVPQVCCJCZIAC-LRDDRELGSA-N 1 1 305.378 2.417 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000869415512 688299695 /nfs/dbraw/zinc/29/96/95/688299695.db2.gz HGYCPSHVGAHNAX-LBPRGKRZSA-N 1 1 323.368 2.125 20 5 DEBDMO Cc1[nH+]ccn1CCCOC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000869896443 688431305 /nfs/dbraw/zinc/43/13/05/688431305.db2.gz CMRALPQGWWWRHL-UHFFFAOYSA-N 1 1 307.281 2.486 20 5 DEBDMO Cc1cc(NC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000930732343 694228616 /nfs/dbraw/zinc/22/86/16/694228616.db2.gz GWMLEFCGUROSSH-CYBMUJFWSA-N 1 1 306.366 2.461 20 5 DEBDMO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017950 688913858 /nfs/dbraw/zinc/91/38/58/688913858.db2.gz HJMHNRURXBWHRY-SNVBAGLBSA-N 1 1 321.308 2.408 20 5 DEBDMO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872024118 688915281 /nfs/dbraw/zinc/91/52/81/688915281.db2.gz NLGCKRAWYWJKIH-GHMZBOCLSA-N 1 1 309.341 2.395 20 5 DEBDMO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872043923 688918414 /nfs/dbraw/zinc/91/84/14/688918414.db2.gz ODSAPLPZWCLAGO-VHSXEESVSA-N 1 1 318.370 2.208 20 5 DEBDMO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000872051979 688919695 /nfs/dbraw/zinc/91/96/95/688919695.db2.gz LUTUCRQXXZVEQV-UHIISALHSA-N 1 1 311.357 2.104 20 5 DEBDMO Cn1cc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c([N+](=O)[O-])n1 ZINC000872260216 688966518 /nfs/dbraw/zinc/96/65/18/688966518.db2.gz PMSPBJHKLIKZKA-CQSZACIVSA-N 1 1 308.382 2.252 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000873044355 689147389 /nfs/dbraw/zinc/14/73/89/689147389.db2.gz KZODGODTWBEYQU-GJZGRUSLSA-N 1 1 319.405 2.164 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000873044355 689147391 /nfs/dbraw/zinc/14/73/91/689147391.db2.gz KZODGODTWBEYQU-GJZGRUSLSA-N 1 1 319.405 2.164 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@H]1C ZINC000930909771 694269797 /nfs/dbraw/zinc/26/97/97/694269797.db2.gz BIUUKZVONOGFLZ-JTNHKYCSSA-N 1 1 321.377 2.078 20 5 DEBDMO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000930911764 694269842 /nfs/dbraw/zinc/26/98/42/694269842.db2.gz OKXGDOODODTKMU-GBIKHYSHSA-N 1 1 309.341 2.208 20 5 DEBDMO Cc1c(C[N@H+]2[C@H](C)CC[C@@H](C(N)=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000930917964 694272872 /nfs/dbraw/zinc/27/28/72/694272872.db2.gz XREAEHQBLKLEIV-MPKXVKKWSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000874446851 689416209 /nfs/dbraw/zinc/41/62/09/689416209.db2.gz YJYKHJKSPWYGBZ-CYBMUJFWSA-N 1 1 305.378 2.283 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000874837506 689510876 /nfs/dbraw/zinc/51/08/76/689510876.db2.gz KMORWANVOZPQHH-STQMWFEESA-N 1 1 307.325 2.043 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000931057508 694306032 /nfs/dbraw/zinc/30/60/32/694306032.db2.gz PEDNBOBSQVIEPW-DOMZBBRYSA-N 1 1 318.377 2.379 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000877413060 690106159 /nfs/dbraw/zinc/10/61/59/690106159.db2.gz DILHVFLIDIKGDJ-UHFFFAOYSA-N 1 1 314.345 2.266 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000877568285 690154325 /nfs/dbraw/zinc/15/43/25/690154325.db2.gz JVSLIAUYHDTOQT-OKILXGFUSA-N 1 1 321.421 2.099 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000877568285 690154328 /nfs/dbraw/zinc/15/43/28/690154328.db2.gz JVSLIAUYHDTOQT-OKILXGFUSA-N 1 1 321.421 2.099 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000877626308 690171404 /nfs/dbraw/zinc/17/14/04/690171404.db2.gz UKHBMFCZMYJCIF-ZDUSSCGKSA-N 1 1 319.361 2.238 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c([N+](=O)[O-])cc1OC ZINC000877835348 690246424 /nfs/dbraw/zinc/24/64/24/690246424.db2.gz PQXPYSHGWLXBIC-GFCCVEGCSA-N 1 1 324.377 2.205 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530542 690664552 /nfs/dbraw/zinc/66/45/52/690664552.db2.gz VJKHAHVANQHWER-ZNMIVQPWSA-N 1 1 318.373 2.233 20 5 DEBDMO COCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000879707596 690711828 /nfs/dbraw/zinc/71/18/28/690711828.db2.gz WHPIEVWOEDGQKG-UHFFFAOYSA-N 1 1 312.341 2.361 20 5 DEBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@H](CF)C2)o1 ZINC000880301733 690863321 /nfs/dbraw/zinc/86/33/21/690863321.db2.gz XRTZJPQHOHPEOW-JTQLQIEISA-N 1 1 306.297 2.436 20 5 DEBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@@H](CF)C2)o1 ZINC000880301733 690863323 /nfs/dbraw/zinc/86/33/23/690863323.db2.gz XRTZJPQHOHPEOW-JTQLQIEISA-N 1 1 306.297 2.436 20 5 DEBDMO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000880425263 690894932 /nfs/dbraw/zinc/89/49/32/690894932.db2.gz DVQHOJZAOGZFAT-UONOGXRCSA-N 1 1 314.769 2.484 20 5 DEBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000880425263 690894935 /nfs/dbraw/zinc/89/49/35/690894935.db2.gz DVQHOJZAOGZFAT-UONOGXRCSA-N 1 1 314.769 2.484 20 5 DEBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880432759 690897756 /nfs/dbraw/zinc/89/77/56/690897756.db2.gz HLFINFQDIOALJF-JSGCOSHPSA-N 1 1 314.769 2.484 20 5 DEBDMO Cc1c(C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)cccc1[N+](=O)[O-] ZINC000880530415 690919558 /nfs/dbraw/zinc/91/95/58/690919558.db2.gz PTYSSDADRAQLDU-DOMZBBRYSA-N 1 1 303.362 2.004 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)cccc1[N+](=O)[O-] ZINC000880530415 690919562 /nfs/dbraw/zinc/91/95/62/690919562.db2.gz PTYSSDADRAQLDU-DOMZBBRYSA-N 1 1 303.362 2.004 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H](C3CCOCC3)C2)n1 ZINC000880575375 690931482 /nfs/dbraw/zinc/93/14/82/690931482.db2.gz CGAPCDAGWFTUHI-OAHLLOKOSA-N 1 1 322.409 2.320 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000882494889 691297974 /nfs/dbraw/zinc/29/79/74/691297974.db2.gz OUUGNYYSXWZECM-WQTVUKCASA-N 1 1 303.362 2.209 20 5 DEBDMO CC(=O)c1c(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000882677291 691337961 /nfs/dbraw/zinc/33/79/61/691337961.db2.gz LVCGNTYISVZIQW-LBPRGKRZSA-N 1 1 321.377 2.055 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931721162 694464628 /nfs/dbraw/zinc/46/46/28/694464628.db2.gz KAGGKAJJWWKZJN-HIFRSBDPSA-N 1 1 305.378 2.272 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H](CCO)C(F)(F)F)c2c1 ZINC000884831421 691804493 /nfs/dbraw/zinc/80/44/93/691804493.db2.gz RNZPVBYUKSAKLD-LBPRGKRZSA-N 1 1 315.251 2.290 20 5 DEBDMO Cc1noc(C2(C)CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)n1 ZINC000886120405 692007584 /nfs/dbraw/zinc/00/75/84/692007584.db2.gz DGWOOADQBFWKQF-UHFFFAOYSA-N 1 1 317.349 2.235 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)cc1[N+](=O)[O-] ZINC000886624898 692137287 /nfs/dbraw/zinc/13/72/87/692137287.db2.gz COMAXQOKQMQKGE-HZPDHXFCSA-N 1 1 306.362 2.340 20 5 DEBDMO O=[N+]([O-])c1ncccc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000886841464 692207544 /nfs/dbraw/zinc/20/75/44/692207544.db2.gz LZUBXXFQULEEHM-AWEZNQCLSA-N 1 1 304.394 2.201 20 5 DEBDMO COC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000886856129 692211479 /nfs/dbraw/zinc/21/14/79/692211479.db2.gz HRFYVTXECANXBS-RYUDHWBXSA-N 1 1 307.350 2.395 20 5 DEBDMO O=[N+]([O-])c1cccc(OCCN2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886869643 692216192 /nfs/dbraw/zinc/21/61/92/692216192.db2.gz DYUVJMGKZVOOKO-QGZVFWFLSA-N 1 1 319.405 2.439 20 5 DEBDMO C[N@H+](CCCF)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000887139736 692290339 /nfs/dbraw/zinc/29/03/39/692290339.db2.gz BGDWCUIMQBIUSY-UHFFFAOYSA-N 1 1 303.721 2.478 20 5 DEBDMO C[N@@H+](CCCF)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000887139736 692290343 /nfs/dbraw/zinc/29/03/43/692290343.db2.gz BGDWCUIMQBIUSY-UHFFFAOYSA-N 1 1 303.721 2.478 20 5 DEBDMO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000887399657 692354775 /nfs/dbraw/zinc/35/47/75/692354775.db2.gz YZAQMCAXRBLHCB-QWHCGFSZSA-N 1 1 305.378 2.156 20 5 DEBDMO CC1(C)CC[N@@H+](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000890065807 692849406 /nfs/dbraw/zinc/84/94/06/692849406.db2.gz GMNQGVJRNIBHAQ-UHFFFAOYSA-N 1 1 309.341 2.196 20 5 DEBDMO CC1(C)CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000890072124 692852028 /nfs/dbraw/zinc/85/20/28/692852028.db2.gz NZBPVLADDJHJEI-UHFFFAOYSA-N 1 1 309.341 2.196 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1[N+](=O)[O-] ZINC000894307534 692980454 /nfs/dbraw/zinc/98/04/54/692980454.db2.gz YGMJUOZBIXRVSL-INIZCTEOSA-N 1 1 322.361 2.312 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896521022 693003287 /nfs/dbraw/zinc/00/32/87/693003287.db2.gz BMTKJVQTSXKYDJ-GFCCVEGCSA-N 1 1 309.341 2.399 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2=CC[N@@H+](C)CC2)c1C ZINC000897309923 693018197 /nfs/dbraw/zinc/01/81/97/693018197.db2.gz JKARIDLDFYHBRC-UHFFFAOYSA-N 1 1 303.362 2.203 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000923960832 693078033 /nfs/dbraw/zinc/07/80/33/693078033.db2.gz ARTSAXPYUQGRHB-UHFFFAOYSA-N 1 1 321.308 2.415 20 5 DEBDMO 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798289300 /nfs/dbraw/zinc/28/93/00/798289300.db2.gz NGRBKFOGQVBWRV-QWHCGFSZSA-N 1 1 305.378 2.456 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@H](c3cnccn3)C2)cc1[N+](=O)[O-] ZINC001198155772 798290535 /nfs/dbraw/zinc/29/05/35/798290535.db2.gz AXIGGKZGUYBKMS-ZDUSSCGKSA-N 1 1 314.345 2.383 20 5 DEBDMO Cc1c(C)c(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC001160725834 798729659 /nfs/dbraw/zinc/72/96/59/798729659.db2.gz QUUAPIZRGNVUDD-ZIAGYGMSSA-N 1 1 320.393 2.272 20 5 DEBDMO [NH3+][C@H]1CN(c2ccc3cccc([N+](=O)[O-])c3n2)CCC1(F)F ZINC001164319985 799570825 /nfs/dbraw/zinc/57/08/25/799570825.db2.gz VEUSKYLTKCZQIQ-NSHDSACASA-N 1 1 308.288 2.316 20 5 DEBDMO [NH3+][C@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CCC1(F)F ZINC001164320147 799570875 /nfs/dbraw/zinc/57/08/75/799570875.db2.gz YSZFPMPLQSDABW-LBPRGKRZSA-N 1 1 308.288 2.316 20 5 DEBDMO CCO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000932973048 799984092 /nfs/dbraw/zinc/98/40/92/799984092.db2.gz WMSLLAJDACXUJP-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c(F)c1 ZINC000933061595 800002593 /nfs/dbraw/zinc/00/25/93/800002593.db2.gz NQVXYLXAOABBGP-CQSZACIVSA-N 1 1 324.352 2.240 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933213230 800041911 /nfs/dbraw/zinc/04/19/11/800041911.db2.gz LCYNFKNYWZOWSM-AWEZNQCLSA-N 1 1 306.362 2.475 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933213230 800041916 /nfs/dbraw/zinc/04/19/16/800041916.db2.gz LCYNFKNYWZOWSM-AWEZNQCLSA-N 1 1 306.362 2.475 20 5 DEBDMO C[C@]12C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933707652 800168306 /nfs/dbraw/zinc/16/83/06/800168306.db2.gz UKXFYVVZZPLBRF-UICACZKSSA-N 1 1 317.389 2.125 20 5 DEBDMO CCOc1cc(C[N@@H+]2CCC[C@H]2C2OCCO2)ccc1[N+](=O)[O-] ZINC000933900101 800209498 /nfs/dbraw/zinc/20/94/98/800209498.db2.gz TULTUNQJOKSTDR-AWEZNQCLSA-N 1 1 322.361 2.331 20 5 DEBDMO CCOc1cc(C[N@H+]2CCC[C@H]2C2OCCO2)ccc1[N+](=O)[O-] ZINC000933900101 800209502 /nfs/dbraw/zinc/20/95/02/800209502.db2.gz TULTUNQJOKSTDR-AWEZNQCLSA-N 1 1 322.361 2.331 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1c2ccccc2OC[C@H]1CO ZINC000934211020 800291178 /nfs/dbraw/zinc/29/11/78/800291178.db2.gz BRFNYVBNPZFBIA-CXAGYDPISA-N 1 1 314.341 2.427 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000935211098 800595869 /nfs/dbraw/zinc/59/58/69/800595869.db2.gz AWDBCJFIUSQLHD-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000935211098 800595875 /nfs/dbraw/zinc/59/58/75/800595875.db2.gz AWDBCJFIUSQLHD-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001207026034 800661889 /nfs/dbraw/zinc/66/18/89/800661889.db2.gz MNMNAZGCLHZJLE-HDHJSLLGSA-N 1 1 302.330 2.103 20 5 DEBDMO COC(=O)c1c(O[C@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001229043700 801213351 /nfs/dbraw/zinc/21/33/51/801213351.db2.gz ACQLSRLQWYCCBJ-NSHDSACASA-N 1 1 308.334 2.243 20 5 DEBDMO CN1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCC1=O ZINC001232222204 801819949 /nfs/dbraw/zinc/81/99/49/801819949.db2.gz PXBHPGSOTAWIHD-UHFFFAOYSA-N 1 1 320.396 2.447 20 5 DEBDMO CN1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CCC1=O ZINC001232222204 801819954 /nfs/dbraw/zinc/81/99/54/801819954.db2.gz PXBHPGSOTAWIHD-UHFFFAOYSA-N 1 1 320.396 2.447 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc2[nH+]ccn2c1 ZINC001233748144 802196864 /nfs/dbraw/zinc/19/68/64/802196864.db2.gz GIRNAIDNUCLKCK-SNVBAGLBSA-N 1 1 301.306 2.215 20 5 DEBDMO Cc1cccc(CO[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c1[N+](=O)[O-] ZINC001223661469 802807213 /nfs/dbraw/zinc/80/72/13/802807213.db2.gz QMOBFNWTMXOLTG-CFVMTHIKSA-N 1 1 304.346 2.224 20 5 DEBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3cc(F)c(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225778943 803013035 /nfs/dbraw/zinc/01/30/35/803013035.db2.gz LHRBQLDHIFWDRN-CQOUMUIBSA-N 1 1 312.272 2.056 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@H](Oc3cc(F)c(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225778943 803013046 /nfs/dbraw/zinc/01/30/46/803013046.db2.gz LHRBQLDHIFWDRN-CQOUMUIBSA-N 1 1 312.272 2.056 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227094456 803200156 /nfs/dbraw/zinc/20/01/56/803200156.db2.gz BOSCBGPONMGWAR-NSHDSACASA-N 1 1 318.333 2.105 20 5 DEBDMO COC(=O)c1ccc(O[C@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001227295329 803228276 /nfs/dbraw/zinc/22/82/76/803228276.db2.gz MKOKCJXTOVFYOG-LBPRGKRZSA-N 1 1 308.334 2.245 20 5 DEBDMO O=[N+]([O-])c1ccc(O[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001227465549 803244194 /nfs/dbraw/zinc/24/41/94/803244194.db2.gz GDHUXOJCSKJQDK-SNVBAGLBSA-N 1 1 304.262 2.093 20 5 DEBDMO CC[N@H+]1CC[C@@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228801877 803416052 /nfs/dbraw/zinc/41/60/52/803416052.db2.gz BBVKPNAGCYETTQ-SNVBAGLBSA-N 1 1 304.302 2.174 20 5 DEBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228973135 803437495 /nfs/dbraw/zinc/43/74/95/803437495.db2.gz GFPQPMLAVUYYSE-RTUWITSCSA-N 1 1 308.334 2.115 20 5 DEBDMO COc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001345097449 1150864648 /nfs/dbraw/zinc/86/46/48/1150864648.db2.gz YEAPFPJLJUHLJW-NSHDSACASA-N 1 1 322.365 2.161 20 5 DEBDMO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC001456486745 1057869844 /nfs/dbraw/zinc/86/98/44/1057869844.db2.gz RKNYZCKWNBTMSM-RAIGVLPGSA-N 1 1 314.345 2.341 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC001458550180 1058069485 /nfs/dbraw/zinc/06/94/85/1058069485.db2.gz RWSJHCPOWXISHV-LLVKDONJSA-N 1 1 307.350 2.196 20 5 DEBDMO COc1ccccc1[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001459807052 1058219823 /nfs/dbraw/zinc/21/98/23/1058219823.db2.gz XYWYBLKYSVNKNO-HNNXBMFYSA-N 1 1 302.330 2.427 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC001466716681 1059521299 /nfs/dbraw/zinc/52/12/99/1059521299.db2.gz NZUCLRBYPFOGDR-LBPRGKRZSA-N 1 1 309.341 2.337 20 5 DEBDMO C[C@@H](CNC(=O)CC[N@H+]1CC[C@H](F)C1)c1ccccc1[N+](=O)[O-] ZINC001472148033 1060432970 /nfs/dbraw/zinc/43/29/70/1060432970.db2.gz ARSUCWIASQYMOJ-STQMWFEESA-N 1 1 323.368 2.248 20 5 DEBDMO C[C@@]12CSC[C@@H]1C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC001473861930 1060746147 /nfs/dbraw/zinc/74/61/47/1060746147.db2.gz RNCVEESYDVDDLA-XHDPSFHLSA-N 1 1 321.402 2.218 20 5 DEBDMO C[C@@]12CSC[C@@H]1C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC001473861930 1060746154 /nfs/dbraw/zinc/74/61/54/1060746154.db2.gz RNCVEESYDVDDLA-XHDPSFHLSA-N 1 1 321.402 2.218 20 5 DEBDMO CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)OCCO1 ZINC001474071808 1060807294 /nfs/dbraw/zinc/80/72/94/1060807294.db2.gz BMGPVOPVYXGASR-UHFFFAOYSA-N 1 1 318.276 2.049 20 5 DEBDMO C/C=C(/C)C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001494540710 1064304807 /nfs/dbraw/zinc/30/48/07/1064304807.db2.gz IFBGXNQLYCKZIN-BASWHVEKSA-N 1 1 303.362 2.109 20 5 DEBDMO CC/C=C/CC[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001495160703 1064735930 /nfs/dbraw/zinc/73/59/30/1064735930.db2.gz KDPXJCASYSBIJL-LSMGEYOZSA-N 1 1 309.410 2.027 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](c3ncccn3)C2)c1 ZINC001620619084 1078165997 /nfs/dbraw/zinc/16/59/97/1078165997.db2.gz UTOXUEJCDBGPBF-ZDUSSCGKSA-N 1 1 314.345 2.253 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001625497530 1078246125 /nfs/dbraw/zinc/24/61/25/1078246125.db2.gz YVCYXUBVSJTPLE-LLVKDONJSA-N 1 1 308.382 2.027 20 5 DEBDMO C[C@@H](NC(=O)[C@@H]1[NH2+]CCc2occc21)c1ccccc1[N+](=O)[O-] ZINC001579410337 1067331657 /nfs/dbraw/zinc/33/16/57/1067331657.db2.gz KFRGNZRZKIOGCJ-MEBBXXQBSA-N 1 1 315.329 2.252 20 5 DEBDMO Cc1cccnc1N(C)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001579809143 1067427697 /nfs/dbraw/zinc/42/76/97/1067427697.db2.gz RPXCZXPOFSIENP-MRXNPFEDSA-N 1 1 314.345 2.135 20 5 DEBDMO Cc1nc(C)c(NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)s1 ZINC001579849374 1067438406 /nfs/dbraw/zinc/43/84/06/1067438406.db2.gz QIUSGYJTAAETIK-AWEZNQCLSA-N 1 1 320.374 2.481 20 5 DEBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)[C@H]1CC[N@@H+](C)C1 ZINC001641319533 1078706264 /nfs/dbraw/zinc/70/62/64/1078706264.db2.gz QEWCIEVAPQGCNS-NSHDSACASA-N 1 1 309.341 2.209 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC001644824093 1078864433 /nfs/dbraw/zinc/86/44/33/1078864433.db2.gz CJPHTDANIIVZPC-UONOGXRCSA-N 1 1 321.352 2.351 20 5 DEBDMO CC[N@@H+]1CC[C@@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001543969347 1072513562 /nfs/dbraw/zinc/51/35/62/1072513562.db2.gz NXNCGHKJBNPXES-HIFRSBDPSA-N 1 1 321.402 2.263 20 5 DEBDMO CC[N@H+]1CC[C@@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001543969347 1072513571 /nfs/dbraw/zinc/51/35/71/1072513571.db2.gz NXNCGHKJBNPXES-HIFRSBDPSA-N 1 1 321.402 2.263 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC001647915638 1074983965 /nfs/dbraw/zinc/98/39/65/1074983965.db2.gz ZBJIGGVFVMIUAA-ZDUSSCGKSA-N 1 1 307.737 2.466 20 5 DEBDMO Cn1cc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)nn1 ZINC001648591188 1075002578 /nfs/dbraw/zinc/00/25/78/1075002578.db2.gz JJYJNXZPLUWGLM-GFCCVEGCSA-N 1 1 319.340 2.242 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001558526339 1075097807 /nfs/dbraw/zinc/09/78/07/1075097807.db2.gz LHZNTMJRTRENHX-ZDUSSCGKSA-N 1 1 309.341 2.194 20 5 DEBDMO CC[C@@]1(C)CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590489447 1076638095 /nfs/dbraw/zinc/63/80/95/1076638095.db2.gz HHMVFGGDDZMSFB-HNNXBMFYSA-N 1 1 316.365 2.397 20 5 DEBDMO CC(C)Oc1nc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001651471231 1079814039 /nfs/dbraw/zinc/81/40/39/1079814039.db2.gz WOHLNVHADDEMDS-WBMJQRKESA-N 1 1 320.393 2.165 20 5 DEBDMO Cc1[nH]c(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)[nH+]1 ZINC001652319778 1079868266 /nfs/dbraw/zinc/86/82/66/1079868266.db2.gz VSNAYIJLXUTNQR-UHFFFAOYSA-N 1 1 313.317 2.346 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001654030693 1079948247 /nfs/dbraw/zinc/94/82/47/1079948247.db2.gz OTPHONYQUQUSHX-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO CC(C)(O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001654534706 1079970115 /nfs/dbraw/zinc/97/01/15/1079970115.db2.gz HIGYWAZBKOEBDO-UHFFFAOYSA-N 1 1 323.349 2.486 20 5 DEBDMO C[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000226357306 1080146633 /nfs/dbraw/zinc/14/66/33/1080146633.db2.gz KUVSUNUIFHCFOP-MRVPVSSYSA-N 1 1 315.171 2.258 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000226357306 1080146644 /nfs/dbraw/zinc/14/66/44/1080146644.db2.gz KUVSUNUIFHCFOP-MRVPVSSYSA-N 1 1 315.171 2.258 20 5 DEBDMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001659632103 1080245319 /nfs/dbraw/zinc/24/53/19/1080245319.db2.gz QKRQFIZACPBOOM-MRVPVSSYSA-N 1 1 317.305 2.026 20 5 DEBDMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C)CC1 ZINC001482597759 1082351503 /nfs/dbraw/zinc/35/15/03/1082351503.db2.gz JOJGTKGOWCXJEN-UHFFFAOYSA-N 1 1 305.378 2.285 20 5 DEBDMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C)CC1 ZINC001482597759 1082351505 /nfs/dbraw/zinc/35/15/05/1082351505.db2.gz JOJGTKGOWCXJEN-UHFFFAOYSA-N 1 1 305.378 2.285 20 5 DEBDMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CCCF ZINC001320033900 1140813967 /nfs/dbraw/zinc/81/39/67/1140813967.db2.gz NNNXQIWVIBALJM-UHFFFAOYSA-N 1 1 311.357 2.235 20 5 DEBDMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CCCF ZINC001320033900 1140813968 /nfs/dbraw/zinc/81/39/68/1140813968.db2.gz NNNXQIWVIBALJM-UHFFFAOYSA-N 1 1 311.357 2.235 20 5 DEBDMO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCCNC2)c([N+](=O)[O-])c1 ZINC001246089571 1140859325 /nfs/dbraw/zinc/85/93/25/1140859325.db2.gz GNRHMECBNYVKMB-TZMCWYRMSA-N 1 1 307.394 2.266 20 5 DEBDMO CCC[C@H]1CN(c2c(C)cncc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC001322485387 1141607819 /nfs/dbraw/zinc/60/78/19/1141607819.db2.gz MRNIWYRULGVPCW-AWEZNQCLSA-N 1 1 322.409 2.235 20 5 DEBDMO CC(C)CC(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001251866912 1142528439 /nfs/dbraw/zinc/52/84/39/1142528439.db2.gz VDXIQNVVYGSEHA-UHFFFAOYSA-N 1 1 319.405 2.328 20 5 DEBDMO CCOc1cccc(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001336726231 1142548269 /nfs/dbraw/zinc/54/82/69/1142548269.db2.gz NMNIUMVOZXSHME-TZMCWYRMSA-N 1 1 322.409 2.040 20 5 DEBDMO COC(=O)c1cc(NCCn2cc[nH+]c2C)cc(C)c1[N+](=O)[O-] ZINC001337251123 1142718515 /nfs/dbraw/zinc/71/85/15/1142718515.db2.gz BGHWQDAYLQOGIJ-UHFFFAOYSA-N 1 1 318.333 2.307 20 5 DEBDMO Cc1cnc(N2CCC(c3c[nH+]cn3C)CC2)c([N+](=O)[O-])c1 ZINC001338320018 1142847771 /nfs/dbraw/zinc/84/77/71/1142847771.db2.gz RHJLZEYKZBQLGM-UHFFFAOYSA-N 1 1 301.350 2.416 20 5 DEBDMO CN(C)[C@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254475097 1143131427 /nfs/dbraw/zinc/13/14/27/1143131427.db2.gz ACYOOWXROGNQAB-KRWDZBQOSA-N 1 1 318.421 2.200 20 5 DEBDMO C[NH+](C)[C@H]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254475097 1143131443 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O=[N+]([O-])c1sc(C[NH2+]C/C=C\CO)cc1Br ZINC000602711335 360511024 /nfs/dbraw/zinc/51/10/24/360511024.db2.gz RHHBYHCPLJMTDU-UPHRSURJSA-N 1 1 307.169 2.057 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C1CC(OC(C)(C)C)C1 ZINC000602848526 360588391 /nfs/dbraw/zinc/58/83/91/360588391.db2.gz VYOCHCLLRJZHRH-UHFFFAOYSA-N 1 1 310.398 2.378 20 5 DEBDMO CC[C@]1(O)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000602983185 360654051 /nfs/dbraw/zinc/65/40/51/360654051.db2.gz DLYCKGKVXPXBHH-HNNXBMFYSA-N 1 1 304.350 2.208 20 5 DEBDMO CC[C@]1(O)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000602983185 360654056 /nfs/dbraw/zinc/65/40/56/360654056.db2.gz DLYCKGKVXPXBHH-HNNXBMFYSA-N 1 1 304.350 2.208 20 5 DEBDMO CC[C@]1(O)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000602983604 360654920 /nfs/dbraw/zinc/65/49/20/360654920.db2.gz NYRVTYZTFKGQLT-WBMJQRKESA-N 1 1 321.377 2.159 20 5 DEBDMO CC[C@]1(O)CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000602983604 360654923 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DFEWEVAOGITTGY-NSHDSACASA-N 1 1 307.379 2.160 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)cs1 ZINC000119891890 195056930 /nfs/dbraw/zinc/05/69/30/195056930.db2.gz DFEWEVAOGITTGY-NSHDSACASA-N 1 1 307.379 2.160 20 5 DEBDMO CCc1nn(C)c(N2CCC[N@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000538743325 285053931 /nfs/dbraw/zinc/05/39/31/285053931.db2.gz VBLKHXWGJDEMLY-UHFFFAOYSA-N 1 1 309.414 2.201 20 5 DEBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000068517611 285163494 /nfs/dbraw/zinc/16/34/94/285163494.db2.gz ASXAZLPJABFJPZ-CQSZACIVSA-N 1 1 305.378 2.286 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)CC ZINC000157382063 197183508 /nfs/dbraw/zinc/18/35/08/197183508.db2.gz ACOLVSYPNQODPP-UHFFFAOYSA-N 1 1 311.407 2.388 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])c1 ZINC000155100771 197021634 /nfs/dbraw/zinc/02/16/34/197021634.db2.gz QVOCIDIGIDHODG-XJKSGUPXSA-N 1 1 317.389 2.460 20 5 DEBDMO COCCO[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000444750994 533198010 /nfs/dbraw/zinc/19/80/10/533198010.db2.gz ALETUDMDLQWJQW-NSHDSACASA-N 1 1 314.769 2.486 20 5 DEBDMO COCCO[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000444750994 533198014 /nfs/dbraw/zinc/19/80/14/533198014.db2.gz ALETUDMDLQWJQW-NSHDSACASA-N 1 1 314.769 2.486 20 5 DEBDMO COC[C@@]1(C(=O)OC)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451340055 285319512 /nfs/dbraw/zinc/31/95/12/285319512.db2.gz VZKHTSYDCRUUDM-BLLLJJGKSA-N 1 1 322.361 2.167 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000289993335 221366214 /nfs/dbraw/zinc/36/62/14/221366214.db2.gz YNALEJHQEPUTOW-LLVKDONJSA-N 1 1 324.381 2.454 20 5 DEBDMO Cc1cnn([C@@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000290047452 221399815 /nfs/dbraw/zinc/39/98/15/221399815.db2.gz WVBUYRZRLXAVCE-OAHLLOKOSA-N 1 1 316.361 2.426 20 5 DEBDMO COc1ccc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000123194667 195553949 /nfs/dbraw/zinc/55/39/49/195553949.db2.gz 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CCOC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000065208340 402123148 /nfs/dbraw/zinc/12/31/48/402123148.db2.gz IAJANBPAQPSONV-CYBMUJFWSA-N 1 1 322.361 2.249 20 5 DEBDMO COc1ccc(OCC[N@H+]2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000153461877 402146923 /nfs/dbraw/zinc/14/69/23/402146923.db2.gz LFDBPIKTRJNKJZ-MRXNPFEDSA-N 1 1 322.361 2.095 20 5 DEBDMO O=c1c([N+](=O)[O-])cccn1Cc1[nH+]ccn1Cc1ccccc1 ZINC000102204194 402163725 /nfs/dbraw/zinc/16/37/25/402163725.db2.gz DBINFXNEKKYVGC-UHFFFAOYSA-N 1 1 310.313 2.050 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000067595164 402164567 /nfs/dbraw/zinc/16/45/67/402164567.db2.gz VOOCSYJDFRLVPU-LBPRGKRZSA-N 1 1 303.362 2.117 20 5 DEBDMO CCOC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000176349446 402301746 /nfs/dbraw/zinc/30/17/46/402301746.db2.gz YVDLOMZDZOWDHN-QWHCGFSZSA-N 1 1 321.377 2.280 20 5 DEBDMO CC(C)(O)C[NH+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000232575294 402357691 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5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1[C@@H](C)CCC[C@H]1CO ZINC000245700439 402480695 /nfs/dbraw/zinc/48/06/95/402480695.db2.gz LRSOVXSQQKFMNX-JSGCOSHPSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1[C@@H](C)CCC[C@H]1CO ZINC000245700439 402480696 /nfs/dbraw/zinc/48/06/96/402480696.db2.gz LRSOVXSQQKFMNX-JSGCOSHPSA-N 1 1 321.377 2.077 20 5 DEBDMO COCCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000189691807 402552853 /nfs/dbraw/zinc/55/28/53/402552853.db2.gz BOPGOQGQDBLTMF-GFCCVEGCSA-N 1 1 314.769 2.486 20 5 DEBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000189691807 402552855 /nfs/dbraw/zinc/55/28/55/402552855.db2.gz BOPGOQGQDBLTMF-GFCCVEGCSA-N 1 1 314.769 2.486 20 5 DEBDMO C[C@@H]1CC[C@@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000190878437 402629277 /nfs/dbraw/zinc/62/92/77/402629277.db2.gz XZPFYALMTNRBOJ-DYEKYZERSA-N 1 1 306.366 2.044 20 5 DEBDMO Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261884034 402718712 /nfs/dbraw/zinc/71/87/12/402718712.db2.gz MXVIVZKSEUUPOD-STQMWFEESA-N 1 1 312.373 2.497 20 5 DEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183596408 402780091 /nfs/dbraw/zinc/78/00/91/402780091.db2.gz WMHUXZKAEJWTLD-GFCCVEGCSA-N 1 1 321.381 2.328 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175314196 402796681 /nfs/dbraw/zinc/79/66/81/402796681.db2.gz PGNSLVJFFMSLGN-GFCCVEGCSA-N 1 1 321.377 2.081 20 5 DEBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)(C)C ZINC000263806108 402806939 /nfs/dbraw/zinc/80/69/39/402806939.db2.gz RYKNFTYLSRNYOC-UHFFFAOYSA-N 1 1 305.378 2.462 20 5 DEBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175733943 402827854 /nfs/dbraw/zinc/82/78/54/402827854.db2.gz ZIHAILKAUWLWBX-SNVBAGLBSA-N 1 1 323.780 2.462 20 5 DEBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000195498696 402847630 /nfs/dbraw/zinc/84/76/30/402847630.db2.gz MUFYTEZBFSGMJN-LLVKDONJSA-N 1 1 316.361 2.290 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1 ZINC000264209406 402857814 /nfs/dbraw/zinc/85/78/14/402857814.db2.gz RKADEORICPWXSY-UHFFFAOYSA-N 1 1 316.361 2.290 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000264493801 402884008 /nfs/dbraw/zinc/88/40/08/402884008.db2.gz DWMJGTCPAJBOIN-LLVKDONJSA-N 1 1 316.361 2.148 20 5 DEBDMO COc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000264547300 402887972 /nfs/dbraw/zinc/88/79/72/402887972.db2.gz WRFVYONHPXZJGJ-UONOGXRCSA-N 1 1 305.378 2.320 20 5 DEBDMO CCc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272441428 402937672 /nfs/dbraw/zinc/93/76/72/402937672.db2.gz IRQQUZRAOJKANP-CZUORRHYSA-N 1 1 317.389 2.323 20 5 DEBDMO C[C@H]1CCSCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279404689 402939213 /nfs/dbraw/zinc/93/92/13/402939213.db2.gz ZWDUHYAOWZKPDK-NSHDSACASA-N 1 1 309.391 2.361 20 5 DEBDMO C[C@H]1CCSCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279404689 402939216 /nfs/dbraw/zinc/93/92/16/402939216.db2.gz ZWDUHYAOWZKPDK-NSHDSACASA-N 1 1 309.391 2.361 20 5 DEBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000272475850 402941551 /nfs/dbraw/zinc/94/15/51/402941551.db2.gz FFPGDODZELXLGP-ZDUSSCGKSA-N 1 1 319.361 2.001 20 5 DEBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000272497433 402944637 /nfs/dbraw/zinc/94/46/37/402944637.db2.gz GEAAJPLPNVCOGQ-DOMZBBRYSA-N 1 1 316.361 2.044 20 5 DEBDMO C[C@H](CCCO)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272501184 402944800 /nfs/dbraw/zinc/94/48/00/402944800.db2.gz GVSQMVSASPRIAO-DOMZBBRYSA-N 1 1 318.377 2.168 20 5 DEBDMO COC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000265778059 402948627 /nfs/dbraw/zinc/94/86/27/402948627.db2.gz JXIAPTWKALVPNZ-QWHCGFSZSA-N 1 1 321.377 2.199 20 5 DEBDMO CC(C)[C@@H](O)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272552753 402952116 /nfs/dbraw/zinc/95/21/16/402952116.db2.gz RONZQYBZOTWGGZ-LSDHHAIUSA-N 1 1 318.377 2.024 20 5 DEBDMO C[NH+](C)C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCCC1 ZINC000272604549 402958690 /nfs/dbraw/zinc/95/86/90/402958690.db2.gz PJCPCQHWLBQZSQ-UHFFFAOYSA-N 1 1 321.377 2.295 20 5 DEBDMO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000279326620 402931079 /nfs/dbraw/zinc/93/10/79/402931079.db2.gz OLXMDIOUZMFLJB-MLGOLLRUSA-N 1 1 306.362 2.473 20 5 DEBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000279326620 402931081 /nfs/dbraw/zinc/93/10/81/402931081.db2.gz OLXMDIOUZMFLJB-MLGOLLRUSA-N 1 1 306.362 2.473 20 5 DEBDMO CCOCC[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266542842 402972712 /nfs/dbraw/zinc/97/27/12/402972712.db2.gz QKGZEQZICCLSQL-AWEZNQCLSA-N 1 1 307.394 2.310 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000280820155 403040259 /nfs/dbraw/zinc/04/02/59/403040259.db2.gz XVVXXDJJPAULNN-NSHDSACASA-N 1 1 304.354 2.227 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000274336932 403046131 /nfs/dbraw/zinc/04/61/31/403046131.db2.gz CCZDJFUEBUZWNE-RNCFNFMXSA-N 1 1 323.780 2.461 20 5 DEBDMO CCc1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268280133 403070002 /nfs/dbraw/zinc/07/00/02/403070002.db2.gz XAOQUWGBLSSSIZ-NHYWBVRUSA-N 1 1 317.389 2.370 20 5 DEBDMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276290842 403161310 /nfs/dbraw/zinc/16/13/10/403161310.db2.gz HVXNFSATWOUBGS-ZDUSSCGKSA-N 1 1 309.341 2.082 20 5 DEBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276290842 403161312 /nfs/dbraw/zinc/16/13/12/403161312.db2.gz HVXNFSATWOUBGS-ZDUSSCGKSA-N 1 1 309.341 2.082 20 5 DEBDMO CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282321895 403142979 /nfs/dbraw/zinc/14/29/79/403142979.db2.gz ABHCFCCJIUWUGH-STQMWFEESA-N 1 1 307.394 2.372 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000269666427 403154922 /nfs/dbraw/zinc/15/49/22/403154922.db2.gz SIKHAGFLNOQDGB-HNNXBMFYSA-N 1 1 306.362 2.131 20 5 DEBDMO C[C@@H]1c2ccsc2CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270586364 403202840 /nfs/dbraw/zinc/20/28/40/403202840.db2.gz SCBNKSHMTUODFV-LLVKDONJSA-N 1 1 319.386 2.437 20 5 DEBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283396310 403194285 /nfs/dbraw/zinc/19/42/85/403194285.db2.gz UVGRQXCSAFEXPB-JSGCOSHPSA-N 1 1 321.377 2.159 20 5 DEBDMO COc1ccc(C[NH2+][C@H](c2nncn2C)C(C)C)cc1[N+](=O)[O-] ZINC000285429052 403294749 /nfs/dbraw/zinc/29/47/49/403294749.db2.gz QXCCCHZHGZIPMY-AWEZNQCLSA-N 1 1 319.365 2.219 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292113554 403295931 /nfs/dbraw/zinc/29/59/31/403295931.db2.gz FZZYEFDPUQIFSM-KRWDZBQOSA-N 1 1 317.389 2.082 20 5 DEBDMO CCN(CC)C(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285450733 403298775 /nfs/dbraw/zinc/29/87/75/403298775.db2.gz YLNLNNZCBSTCSR-CYBMUJFWSA-N 1 1 307.394 2.326 20 5 DEBDMO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285450733 403298781 /nfs/dbraw/zinc/29/87/81/403298781.db2.gz YLNLNNZCBSTCSR-CYBMUJFWSA-N 1 1 307.394 2.326 20 5 DEBDMO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[N@H+]1CCOC ZINC000270946645 403243383 /nfs/dbraw/zinc/24/33/83/403243383.db2.gz LBQTWGXPRPTOOU-CQSZACIVSA-N 1 1 322.409 2.235 20 5 DEBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000277767223 403254384 /nfs/dbraw/zinc/25/43/84/403254384.db2.gz DGQWCARTOWXSHI-HNNXBMFYSA-N 1 1 303.362 2.342 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284736094 403271623 /nfs/dbraw/zinc/27/16/23/403271623.db2.gz KPLNZRNYSPTYTJ-XKQJLSEDSA-N 1 1 319.405 2.369 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000330611480 403288259 /nfs/dbraw/zinc/28/82/59/403288259.db2.gz PTTRAEHOUGLPQS-MNOVXSKESA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000330611480 403288264 /nfs/dbraw/zinc/28/82/64/403288264.db2.gz PTTRAEHOUGLPQS-MNOVXSKESA-N 1 1 323.418 2.481 20 5 DEBDMO CC(C)[N@@H+](C)CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000298358688 403364343 /nfs/dbraw/zinc/36/43/43/403364343.db2.gz ABRLJEYZBHLCSM-JXMROGBWSA-N 1 1 305.378 2.455 20 5 DEBDMO C[C@H]1C[N@H+](CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCO1 ZINC000298201279 403330331 /nfs/dbraw/zinc/33/03/31/403330331.db2.gz IFYYJYOOZBEXPB-ZDUSSCGKSA-N 1 1 316.361 2.179 20 5 DEBDMO C[C@H]1C[N@@H+](CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCO1 ZINC000298201279 403330333 /nfs/dbraw/zinc/33/03/33/403330333.db2.gz IFYYJYOOZBEXPB-ZDUSSCGKSA-N 1 1 316.361 2.179 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000331132849 403336861 /nfs/dbraw/zinc/33/68/61/403336861.db2.gz JSXQNHCMPMXMFT-OAHLLOKOSA-N 1 1 305.378 2.315 20 5 DEBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000285796709 403382913 /nfs/dbraw/zinc/38/29/13/403382913.db2.gz FROJKDOGCDVEAK-IUODEOHRSA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000285796709 403382917 /nfs/dbraw/zinc/38/29/17/403382917.db2.gz FROJKDOGCDVEAK-IUODEOHRSA-N 1 1 323.368 2.029 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000331461815 403390246 /nfs/dbraw/zinc/39/02/46/403390246.db2.gz GXZRMAFGGCQTOG-ZDUSSCGKSA-N 1 1 317.389 2.487 20 5 DEBDMO CCNC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000293139955 403398987 /nfs/dbraw/zinc/39/89/87/403398987.db2.gz CUWCTIRBPJIFQD-ZDUSSCGKSA-N 1 1 313.785 2.499 20 5 DEBDMO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331538039 403411124 /nfs/dbraw/zinc/41/11/24/403411124.db2.gz RSNUOQSBUDFIEC-MNOVXSKESA-N 1 1 304.350 2.206 20 5 DEBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331538039 403411127 /nfs/dbraw/zinc/41/11/27/403411127.db2.gz RSNUOQSBUDFIEC-MNOVXSKESA-N 1 1 304.350 2.206 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1C ZINC000332125452 403491572 /nfs/dbraw/zinc/49/15/72/403491572.db2.gz CYEMOKDYUZKFSP-JQWIXIFHSA-N 1 1 316.361 2.289 20 5 DEBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345775602 403479226 /nfs/dbraw/zinc/47/92/26/403479226.db2.gz JXVYOGZXYKHEIJ-VXGBXAGGSA-N 1 1 305.378 2.144 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000298933604 403488611 /nfs/dbraw/zinc/48/86/11/403488611.db2.gz AVIRLXYDODLBGE-KGLIPLIRSA-N 1 1 307.325 2.091 20 5 DEBDMO CC(C)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299208655 403546996 /nfs/dbraw/zinc/54/69/96/403546996.db2.gz AWQGBVPDZGNALO-ZBFHGGJFSA-N 1 1 308.378 2.455 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000343448909 403595578 /nfs/dbraw/zinc/59/55/78/403595578.db2.gz CVTJOQDGHXMENF-ZYHUDNBSSA-N 1 1 307.350 2.276 20 5 DEBDMO C[C@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCC[N@H+]1C ZINC000343455835 403597640 /nfs/dbraw/zinc/59/76/40/403597640.db2.gz JVQIASYHOJZFLC-CMPLNLGQSA-N 1 1 318.377 2.374 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000345982549 403558446 /nfs/dbraw/zinc/55/84/46/403558446.db2.gz MMBDCYHGZULWEU-NEPJUHHUSA-N 1 1 305.378 2.458 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000343412686 403577586 /nfs/dbraw/zinc/57/75/86/403577586.db2.gz WISAIVAFSVZMNT-UHFFFAOYSA-N 1 1 316.361 2.244 20 5 DEBDMO CC[C@@H](C)[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000287366040 403583937 /nfs/dbraw/zinc/58/39/37/403583937.db2.gz MBYURCKHAXTNSZ-CYBMUJFWSA-N 1 1 323.393 2.325 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000347259759 403640346 /nfs/dbraw/zinc/64/03/46/403640346.db2.gz DIYLBRHOAIOXOH-KOLCDFICSA-N 1 1 310.329 2.338 20 5 DEBDMO C[C@H](CNc1c([N+](=O)[O-])ncn1C)[N@@H+](C)Cc1ccccc1 ZINC000347267802 403643448 /nfs/dbraw/zinc/64/34/48/403643448.db2.gz FCAJJSWWKCWVSK-GFCCVEGCSA-N 1 1 303.366 2.261 20 5 DEBDMO Cc1nn(C)c(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000301776059 403677454 /nfs/dbraw/zinc/67/74/54/403677454.db2.gz LILMOLNRAOOZLO-JSGCOSHPSA-N 1 1 319.409 2.090 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000347364574 403680992 /nfs/dbraw/zinc/68/09/92/403680992.db2.gz BSJVAUGKYBWGQS-CRPZLVSXSA-N 1 1 317.389 2.015 20 5 DEBDMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000341036479 403745959 /nfs/dbraw/zinc/74/59/59/403745959.db2.gz QCBVIBUOISLLIE-LLVKDONJSA-N 1 1 304.350 2.496 20 5 DEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000295232165 403805167 /nfs/dbraw/zinc/80/51/67/403805167.db2.gz OAYMMUQNGWJQLQ-ZDUSSCGKSA-N 1 1 315.732 2.022 20 5 DEBDMO CC1(C)C[C@H](O)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000295266259 403819846 /nfs/dbraw/zinc/81/98/46/403819846.db2.gz DOKMRCVPWHHQMS-GFCCVEGCSA-N 1 1 321.377 2.016 20 5 DEBDMO CC1(C)C[C@H](O)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000295266259 403819848 /nfs/dbraw/zinc/81/98/48/403819848.db2.gz DOKMRCVPWHHQMS-GFCCVEGCSA-N 1 1 321.377 2.016 20 5 DEBDMO COc1c(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000354595357 403895535 /nfs/dbraw/zinc/89/55/35/403895535.db2.gz LFBUBMWGFDSNKA-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO COC(=O)c1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c[nH]1 ZINC000289399314 403943368 /nfs/dbraw/zinc/94/33/68/403943368.db2.gz OKVHPBUDYMODAY-UHFFFAOYSA-N 1 1 317.345 2.384 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344171212 403956271 /nfs/dbraw/zinc/95/62/71/403956271.db2.gz DHPVNRQNXFOZAN-OLZOCXBDSA-N 1 1 307.325 2.091 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344209297 403978936 /nfs/dbraw/zinc/97/89/36/403978936.db2.gz IJFXVSNOBIGODZ-NSHDSACASA-N 1 1 309.341 2.196 20 5 DEBDMO C[C@H]1CC(C)(C)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412020271 404060076 /nfs/dbraw/zinc/06/00/76/404060076.db2.gz ICKJKMGOJBZLDR-JSGCOSHPSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000412074760 404112412 /nfs/dbraw/zinc/11/24/12/404112412.db2.gz IUDHHHDWISISSJ-OLZOCXBDSA-N 1 1 321.377 2.016 20 5 DEBDMO CC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412117193 404143589 /nfs/dbraw/zinc/14/35/89/404143589.db2.gz LFWCDYXQXZATGS-UHFFFAOYSA-N 1 1 309.366 2.064 20 5 DEBDMO C[C@@H](NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000296297296 404184571 /nfs/dbraw/zinc/18/45/71/404184571.db2.gz KCFQLABFKXSVCX-FRRDWIJNSA-N 1 1 320.393 2.390 20 5 DEBDMO CC[N@@H+](CCC1CC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000355064440 404190905 /nfs/dbraw/zinc/19/09/05/404190905.db2.gz SFLWFBBKOISBTJ-CQSZACIVSA-N 1 1 308.378 2.457 20 5 DEBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C1CC1 ZINC000290497420 404192871 /nfs/dbraw/zinc/19/28/71/404192871.db2.gz AMGONVKJRQAUNW-BBRMVZONSA-N 1 1 320.389 2.455 20 5 DEBDMO Cc1cccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000363935512 404258020 /nfs/dbraw/zinc/25/80/20/404258020.db2.gz BQXCNPPYOBJNDW-STQMWFEESA-N 1 1 303.362 2.260 20 5 DEBDMO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000344625824 404269829 /nfs/dbraw/zinc/26/98/29/404269829.db2.gz JTWVCJBORGLECU-DGCLKSJQSA-N 1 1 323.393 2.184 20 5 DEBDMO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000296833600 404333441 /nfs/dbraw/zinc/33/34/41/404333441.db2.gz WRCREDUISHGUHQ-DYVFJYSZSA-N 1 1 319.405 2.044 20 5 DEBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000370002511 404298572 /nfs/dbraw/zinc/29/85/72/404298572.db2.gz PSRPNUUFAYJVTF-CQSZACIVSA-N 1 1 300.362 2.393 20 5 DEBDMO C[N@@H+]1CCCC[C@H]1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370062168 404320995 /nfs/dbraw/zinc/32/09/95/404320995.db2.gz XJKQOYVLTVRZKL-AWEZNQCLSA-N 1 1 321.425 2.303 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370062168 404321003 /nfs/dbraw/zinc/32/10/03/404321003.db2.gz XJKQOYVLTVRZKL-AWEZNQCLSA-N 1 1 321.425 2.303 20 5 DEBDMO CN1CCCC[C@H]1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370062168 404321006 /nfs/dbraw/zinc/32/10/06/404321006.db2.gz XJKQOYVLTVRZKL-AWEZNQCLSA-N 1 1 321.425 2.303 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000370922482 404418288 /nfs/dbraw/zinc/41/82/88/404418288.db2.gz KBIPIQOUGNCZAD-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCOC(C)(C)C1 ZINC000370922482 404418293 /nfs/dbraw/zinc/41/82/93/404418293.db2.gz KBIPIQOUGNCZAD-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO C[N@H+](Cc1ccoc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342342762 404522091 /nfs/dbraw/zinc/52/20/91/404522091.db2.gz LGJBVBLVOLQSTG-CYBMUJFWSA-N 1 1 306.318 2.060 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000356344980 404463958 /nfs/dbraw/zinc/46/39/58/404463958.db2.gz LSBBYEBVLNTHLW-ZDUSSCGKSA-N 1 1 316.361 2.229 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000356344980 404463964 /nfs/dbraw/zinc/46/39/64/404463964.db2.gz LSBBYEBVLNTHLW-ZDUSSCGKSA-N 1 1 316.361 2.229 20 5 DEBDMO CC(C)OCC[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352570875 404464478 /nfs/dbraw/zinc/46/44/78/404464478.db2.gz NHQNTLMSAIAVRN-HNNXBMFYSA-N 1 1 310.394 2.245 20 5 DEBDMO CNC(=O)[C@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000291659123 404466564 /nfs/dbraw/zinc/46/65/64/404466564.db2.gz DTOMMEWLPHZBBK-JTQLQIEISA-N 1 1 303.318 2.079 20 5 DEBDMO C[N@@H+](CCC(F)(F)F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342349429 404524947 /nfs/dbraw/zinc/52/49/47/404524947.db2.gz WYJFMFSNSDVGMG-SNVBAGLBSA-N 1 1 322.283 2.219 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000352673495 404536998 /nfs/dbraw/zinc/53/69/98/404536998.db2.gz NOELEPZQGMNLIH-LSDHHAIUSA-N 1 1 321.377 2.077 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291910856 404576118 /nfs/dbraw/zinc/57/61/18/404576118.db2.gz RSYSMRDYPMZUND-CQSZACIVSA-N 1 1 302.334 2.247 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291910856 404576125 /nfs/dbraw/zinc/57/61/25/404576125.db2.gz RSYSMRDYPMZUND-CQSZACIVSA-N 1 1 302.334 2.247 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000414498586 404657617 /nfs/dbraw/zinc/65/76/17/404657617.db2.gz NCHKXAAHUZERMW-BMQCOBNYSA-N 1 1 317.389 2.408 20 5 DEBDMO CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000330447981 404662769 /nfs/dbraw/zinc/66/27/69/404662769.db2.gz IJNZOQULXIRFOD-JSGCOSHPSA-N 1 1 305.378 2.456 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC[C@H]1CCCO1 ZINC000342611301 404677503 /nfs/dbraw/zinc/67/75/03/404677503.db2.gz XMVRCGPVRWHJKY-CHWSQXEVSA-N 1 1 321.377 2.423 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000356743751 404677660 /nfs/dbraw/zinc/67/76/60/404677660.db2.gz OCLIIIIZELJPFH-ZDUSSCGKSA-N 1 1 307.394 2.372 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330572775 404690843 /nfs/dbraw/zinc/69/08/43/404690843.db2.gz DQWDODYGRDQBNB-QWRGUYRKSA-N 1 1 306.366 2.003 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000330586785 404694132 /nfs/dbraw/zinc/69/41/32/404694132.db2.gz SRIMFUJZZMMQNN-KBPBESRZSA-N 1 1 307.394 2.388 20 5 DEBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000353051957 404732663 /nfs/dbraw/zinc/73/26/63/404732663.db2.gz XGSUNSDLJVJCCU-UHFFFAOYSA-N 1 1 312.341 2.097 20 5 DEBDMO CCCC[C@H](C(=O)OC)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365864091 404735639 /nfs/dbraw/zinc/73/56/39/404735639.db2.gz ASONRPWBLLOTRP-CYBMUJFWSA-N 1 1 324.381 2.160 20 5 DEBDMO CCC([NH3+])(CC)CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414815308 404741201 /nfs/dbraw/zinc/74/12/01/404741201.db2.gz XDECVYOWZCKMIU-GFCCVEGCSA-N 1 1 322.409 2.419 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000356877954 404714350 /nfs/dbraw/zinc/71/43/50/404714350.db2.gz MUBSXBUZVFYZES-NEPJUHHUSA-N 1 1 323.418 2.238 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000356877954 404714352 /nfs/dbraw/zinc/71/43/52/404714352.db2.gz MUBSXBUZVFYZES-NEPJUHHUSA-N 1 1 323.418 2.238 20 5 DEBDMO Cc1ccccc1CC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000451166168 404886332 /nfs/dbraw/zinc/88/63/32/404886332.db2.gz MUEKYSVRILWEKY-UHFFFAOYSA-N 1 1 315.373 2.239 20 5 DEBDMO C[NH+](C)CCOC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000353529600 404857788 /nfs/dbraw/zinc/85/77/88/404857788.db2.gz JHODJXMNNJYFBY-UHFFFAOYSA-N 1 1 307.394 2.137 20 5 DEBDMO COC(=O)COc1ccc(C[NH2+]Cc2ccco2)cc1[N+](=O)[O-] ZINC000353735851 404947792 /nfs/dbraw/zinc/94/77/92/404947792.db2.gz IKQRNBCDTWCXMA-UHFFFAOYSA-N 1 1 320.301 2.029 20 5 DEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000353999598 404992648 /nfs/dbraw/zinc/99/26/48/404992648.db2.gz MECAAGXETPFSST-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000408061952 405102977 /nfs/dbraw/zinc/10/29/77/405102977.db2.gz MTVDVJODBHJYGI-XQQFMLRXSA-N 1 1 307.398 2.170 20 5 DEBDMO O=C(CC[N@@H+]1CC[C@H](CCCO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000452115456 405177706 /nfs/dbraw/zinc/17/77/06/405177706.db2.gz BQYLBVIFLICMEU-ZDUSSCGKSA-N 1 1 321.377 2.018 20 5 DEBDMO O=C(NCCC[NH2+]C1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000419925531 405272405 /nfs/dbraw/zinc/27/24/05/405272405.db2.gz SVECFVYIBAEEIS-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@H]1[C@@H](C)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000419371757 405245434 /nfs/dbraw/zinc/24/54/34/405245434.db2.gz LIHLGWSTHCEOPK-SYQHCUMBSA-N 1 1 308.378 2.311 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000426931148 405384075 /nfs/dbraw/zinc/38/40/75/405384075.db2.gz APIMCPVZJTVCEQ-UHFFFAOYSA-N 1 1 309.366 2.064 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000427149626 405391923 /nfs/dbraw/zinc/39/19/23/405391923.db2.gz IMMUUXRNVUEPNU-AWEZNQCLSA-N 1 1 321.377 2.016 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420929087 405407749 /nfs/dbraw/zinc/40/77/49/405407749.db2.gz CZZCZMMNFVPZMU-OCCSQVGLSA-N 1 1 308.378 2.436 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420929087 405407751 /nfs/dbraw/zinc/40/77/51/405407751.db2.gz CZZCZMMNFVPZMU-OCCSQVGLSA-N 1 1 308.378 2.436 20 5 DEBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420601535 405360544 /nfs/dbraw/zinc/36/05/44/405360544.db2.gz NUTYQGWFQGBCKG-GFCCVEGCSA-N 1 1 320.393 2.004 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000426460185 405361124 /nfs/dbraw/zinc/36/11/24/405361124.db2.gz MNZWNAQBPNGRHN-XPKDYRNWSA-N 1 1 306.362 2.209 20 5 DEBDMO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000492175563 405493300 /nfs/dbraw/zinc/49/33/00/405493300.db2.gz KPWFJDNDNOGYJH-OAHLLOKOSA-N 1 1 323.780 2.350 20 5 DEBDMO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000492175563 405493311 /nfs/dbraw/zinc/49/33/11/405493311.db2.gz KPWFJDNDNOGYJH-OAHLLOKOSA-N 1 1 323.780 2.350 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1CCC[N@H+]1CCCO ZINC000449385083 405535831 /nfs/dbraw/zinc/53/58/31/405535831.db2.gz DOOHVLKOMUQASX-QTONRWBISA-N 1 1 319.405 2.044 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1CCC[N@@H+]1CCCO ZINC000449385083 405535834 /nfs/dbraw/zinc/53/58/34/405535834.db2.gz DOOHVLKOMUQASX-QTONRWBISA-N 1 1 319.405 2.044 20 5 DEBDMO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000580069568 405579730 /nfs/dbraw/zinc/57/97/30/405579730.db2.gz LQJHGBKGVLBVLW-SWLSCSKDSA-N 1 1 321.377 2.421 20 5 DEBDMO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000580069568 405579738 /nfs/dbraw/zinc/57/97/38/405579738.db2.gz LQJHGBKGVLBVLW-SWLSCSKDSA-N 1 1 321.377 2.421 20 5 DEBDMO C[C@H]1OCC[C@]1(C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000494209656 405662197 /nfs/dbraw/zinc/66/21/97/405662197.db2.gz TYJWFFBLXCFRIA-BMIGLBTASA-N 1 1 318.333 2.302 20 5 DEBDMO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000494265083 405670488 /nfs/dbraw/zinc/67/04/88/405670488.db2.gz MLKDXUHWNATHII-ZUZCIYMTSA-N 1 1 318.333 2.302 20 5 DEBDMO COc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457087682 405690209 /nfs/dbraw/zinc/69/02/09/405690209.db2.gz QOVZWPXITOBCRK-CYBMUJFWSA-N 1 1 321.377 2.158 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000457093700 405695961 /nfs/dbraw/zinc/69/59/61/405695961.db2.gz YXESCNJEIHQILM-AWEZNQCLSA-N 1 1 305.378 2.078 20 5 DEBDMO CCC(N)(CC)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423288853 405750143 /nfs/dbraw/zinc/75/01/43/405750143.db2.gz VKRQGYKFHUKPKO-QWHCGFSZSA-N 1 1 309.414 2.382 20 5 DEBDMO CCOc1cc(C[N@@H+](C)C2CCN(OC)CC2)ccc1[N+](=O)[O-] ZINC000459583180 405967521 /nfs/dbraw/zinc/96/75/21/405967521.db2.gz SFVKJRCMLRUEFU-UHFFFAOYSA-N 1 1 323.393 2.451 20 5 DEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[NH+](C(C)C)C1 ZINC000457717829 405967793 /nfs/dbraw/zinc/96/77/93/405967793.db2.gz JGZDSKFSRRKNRI-AWEZNQCLSA-N 1 1 319.405 2.372 20 5 DEBDMO CC(C)(O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000531415967 405955715 /nfs/dbraw/zinc/95/57/15/405955715.db2.gz ORQQEEGZEOKBOG-UHFFFAOYSA-N 1 1 322.405 2.389 20 5 DEBDMO CC(=O)Nc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC000433208512 405901884 /nfs/dbraw/zinc/90/18/84/405901884.db2.gz NSJHASHSEIKKQS-UHFFFAOYSA-N 1 1 306.347 2.300 20 5 DEBDMO C[N@@H+](CCCN1CCCC1=O)CCc1ccccc1[N+](=O)[O-] ZINC000561313990 405919037 /nfs/dbraw/zinc/91/90/37/405919037.db2.gz GAKABIRAQVKNTA-UHFFFAOYSA-N 1 1 305.378 2.082 20 5 DEBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000532590756 406086636 /nfs/dbraw/zinc/08/66/36/406086636.db2.gz UJPJOOYBFNBDDN-ZDUSSCGKSA-N 1 1 322.409 2.031 20 5 DEBDMO CC[N@@H+](CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C(C)C ZINC000515445787 406070013 /nfs/dbraw/zinc/07/00/13/406070013.db2.gz YXIYVMQCSSCDSW-UHFFFAOYSA-N 1 1 319.365 2.386 20 5 DEBDMO CC(C)[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000533358527 406139417 /nfs/dbraw/zinc/13/94/17/406139417.db2.gz WSXOMMWXPXXKOS-HNNXBMFYSA-N 1 1 308.378 2.455 20 5 DEBDMO Cc1ccncc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000533463968 406144574 /nfs/dbraw/zinc/14/45/74/406144574.db2.gz SVPVFRPMWUAOKY-UHFFFAOYSA-N 1 1 313.361 2.015 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000535742096 406233354 /nfs/dbraw/zinc/23/33/54/406233354.db2.gz DPUINOGVXKKTGL-NWDGAFQWSA-N 1 1 320.393 2.191 20 5 DEBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000570111455 406348084 /nfs/dbraw/zinc/34/80/84/406348084.db2.gz RONHMMGKGWYHCG-OAHLLOKOSA-N 1 1 320.393 2.049 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@]1(C)CO ZINC000546810255 406382304 /nfs/dbraw/zinc/38/23/04/406382304.db2.gz WMCAEENUGVUPDO-MRXNPFEDSA-N 1 1 321.377 2.079 20 5 DEBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000525670973 406493470 /nfs/dbraw/zinc/49/34/70/406493470.db2.gz XYKKZEDFIRSIOP-UHFFFAOYSA-N 1 1 319.405 2.470 20 5 DEBDMO CSc1cccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000548276485 406494812 /nfs/dbraw/zinc/49/48/12/406494812.db2.gz QUPIWGGYNISEMG-LLVKDONJSA-N 1 1 323.418 2.388 20 5 DEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000524155941 406441735 /nfs/dbraw/zinc/44/17/35/406441735.db2.gz COGRGYKCEQUSLK-LBPRGKRZSA-N 1 1 320.393 2.097 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524254728 406443935 /nfs/dbraw/zinc/44/39/35/406443935.db2.gz NSGYUKMLVMCLOC-ZDUSSCGKSA-N 1 1 319.405 2.330 20 5 DEBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000547793033 406447541 /nfs/dbraw/zinc/44/75/41/406447541.db2.gz SLJSGFXFJOTLOW-UHFFFAOYSA-N 1 1 321.377 2.247 20 5 DEBDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491534768 406612618 /nfs/dbraw/zinc/61/26/18/406612618.db2.gz YQCQDIMLKGDKDM-MEJMFZKBSA-N 1 1 303.362 2.018 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491925864 406779487 /nfs/dbraw/zinc/77/94/87/406779487.db2.gz OZSMOORVSMIINK-FMFIFOJESA-N 1 1 303.362 2.066 20 5 DEBDMO CC(C)[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000555509380 406844806 /nfs/dbraw/zinc/84/48/06/406844806.db2.gz NLXICUFUEUXGLW-HNNXBMFYSA-N 1 1 320.393 2.076 20 5 DEBDMO CCC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000131377944 196163229 /nfs/dbraw/zinc/16/32/29/196163229.db2.gz SRCKGBXGWHCODA-OAHLLOKOSA-N 1 1 321.377 2.424 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](OCCOC)C1 ZINC000189706934 225061082 /nfs/dbraw/zinc/06/10/82/225061082.db2.gz JQWQPWFUUAGWDM-HNNXBMFYSA-N 1 1 324.377 2.231 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OCCOC)C1 ZINC000189706934 225061084 /nfs/dbraw/zinc/06/10/84/225061084.db2.gz JQWQPWFUUAGWDM-HNNXBMFYSA-N 1 1 324.377 2.231 20 5 DEBDMO Cc1cncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000189954444 225070547 /nfs/dbraw/zinc/07/05/47/225070547.db2.gz ZELOYOMKHNAEKB-AWEZNQCLSA-N 1 1 313.361 2.380 20 5 DEBDMO Cc1nc(N2CC([N@@H+](C)Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000295748243 225193285 /nfs/dbraw/zinc/19/32/85/225193285.db2.gz ZIMVYZSFJLYXQE-UHFFFAOYSA-N 1 1 313.361 2.014 20 5 DEBDMO C[C@@H]1C[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2F)CCCO1 ZINC000413269103 228299273 /nfs/dbraw/zinc/29/92/73/228299273.db2.gz RRXNZGJBQOSUMG-LLVKDONJSA-N 1 1 312.345 2.042 20 5 DEBDMO CCOC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000193785701 424871141 /nfs/dbraw/zinc/87/11/41/424871141.db2.gz OLTWMWVRKWVMDB-LBPRGKRZSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H](c1nccc(N)n1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000593986860 425010291 /nfs/dbraw/zinc/01/02/91/425010291.db2.gz JICFORAIJHRMAH-LLVKDONJSA-N 1 1 301.350 2.203 20 5 DEBDMO C[C@H](c1nccc(N)n1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000593986860 425010294 /nfs/dbraw/zinc/01/02/94/425010294.db2.gz JICFORAIJHRMAH-LLVKDONJSA-N 1 1 301.350 2.203 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000334042445 269009842 /nfs/dbraw/zinc/00/98/42/269009842.db2.gz NATUQXBHOONLPN-CABZTGNLSA-N 1 1 311.769 2.461 20 5 DEBDMO CC(C)(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000429890809 269121379 /nfs/dbraw/zinc/12/13/79/269121379.db2.gz LDBVVJCILWAGCR-GFCCVEGCSA-N 1 1 317.389 2.225 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000430222192 269126721 /nfs/dbraw/zinc/12/67/21/269126721.db2.gz FIAVUICWEUBVMS-UHFFFAOYSA-N 1 1 321.377 2.046 20 5 DEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC[N@@H+](C)C1CC1 ZINC000450274481 274140005 /nfs/dbraw/zinc/14/00/05/274140005.db2.gz KHAKGYQMZBVADS-UHFFFAOYSA-N 1 1 316.361 2.080 20 5 DEBDMO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275393787 274363947 /nfs/dbraw/zinc/36/39/47/274363947.db2.gz AYJBVTDMCXOCOH-LLVKDONJSA-N 1 1 311.357 2.015 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420643600 276232607 /nfs/dbraw/zinc/23/26/07/276232607.db2.gz VTXUOAJNZFBCRM-NSHDSACASA-N 1 1 308.382 2.226 20 5 DEBDMO CC[C@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155063219 276637942 /nfs/dbraw/zinc/63/79/42/276637942.db2.gz HECCWZXBZDTXTK-YOEHRIQHSA-N 1 1 320.437 2.271 20 5 DEBDMO CC(=O)c1ccc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000272214066 277111606 /nfs/dbraw/zinc/11/16/06/277111606.db2.gz QTDVFKJCMYGAIO-LRDDRELGSA-N 1 1 303.362 2.328 20 5 DEBDMO CSc1cccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000421711069 278175443 /nfs/dbraw/zinc/17/54/43/278175443.db2.gz NQDWRRWPNMQTDQ-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225765 282064671 /nfs/dbraw/zinc/06/46/71/282064671.db2.gz WYOJXXSIRSUVHV-OAHLLOKOSA-N 1 1 308.378 2.345 20 5 DEBDMO CC(C)[NH2+]CCCN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000573593373 326073098 /nfs/dbraw/zinc/07/30/98/326073098.db2.gz YAZXVCNIHZGYJZ-CYBMUJFWSA-N 1 1 322.409 2.290 20 5 DEBDMO C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000575800961 326246637 /nfs/dbraw/zinc/24/66/37/326246637.db2.gz WFFVNWHAMKBLFH-ZIAGYGMSSA-N 1 1 319.405 2.499 20 5 DEBDMO CC[N@@H+](C)C[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000575812986 326248411 /nfs/dbraw/zinc/24/84/11/326248411.db2.gz SXNXDDHNZAGHIO-INIZCTEOSA-N 1 1 309.410 2.118 20 5 DEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000245431485 524583953 /nfs/dbraw/zinc/58/39/53/524583953.db2.gz ASTNGDXQKKAJCJ-GHMZBOCLSA-N 1 1 307.350 2.415 20 5 DEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000245431485 524583960 /nfs/dbraw/zinc/58/39/60/524583960.db2.gz ASTNGDXQKKAJCJ-GHMZBOCLSA-N 1 1 307.350 2.415 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000364268260 527260478 /nfs/dbraw/zinc/26/04/78/527260478.db2.gz ZNSMRPLDUWMIRE-AWEZNQCLSA-N 1 1 304.350 2.297 20 5 DEBDMO CC(C)[C@@H](CNc1sccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000301995443 528467384 /nfs/dbraw/zinc/46/73/84/528467384.db2.gz PHCBSSAKJSTKHS-CYBMUJFWSA-N 1 1 312.439 2.340 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000444146612 529049431 /nfs/dbraw/zinc/04/94/31/529049431.db2.gz QGWRLMIJDIBZHB-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO CC[NH+]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000330838539 529133130 /nfs/dbraw/zinc/13/31/30/529133130.db2.gz INKGMWJHTIVNPD-LLVKDONJSA-N 1 1 309.341 2.002 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000451736660 536142366 /nfs/dbraw/zinc/14/23/66/536142366.db2.gz ZKSJIZYALMZJDT-AWEZNQCLSA-N 1 1 307.394 2.390 20 5 DEBDMO CO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374676551 536710764 /nfs/dbraw/zinc/71/07/64/536710764.db2.gz HETNMDOJWMMNRZ-WFASDCNBSA-N 1 1 321.377 2.423 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000247270492 536951056 /nfs/dbraw/zinc/95/10/56/536951056.db2.gz FMOLJEYMQQWVIX-SMDDNHRTSA-N 1 1 321.377 2.016 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCCC(F)(F)F)CC2)cn1 ZINC001355204777 1151992011 /nfs/dbraw/zinc/99/20/11/1151992011.db2.gz QPBAEHWOZVNODV-UHFFFAOYSA-N 1 1 318.299 2.454 20 5 DEBDMO CCOc1cc(NC(=O)Cn2c[nH+]cc2C)ccc1[N+](=O)[O-] ZINC000892743523 625531432 /nfs/dbraw/zinc/53/14/32/625531432.db2.gz YSOOLWPQNMHWJA-UHFFFAOYSA-N 1 1 304.306 2.137 20 5 DEBDMO O=C1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000893361684 625689321 /nfs/dbraw/zinc/68/93/21/625689321.db2.gz NWZNEVCKFLVLCS-NSHDSACASA-N 1 1 309.753 2.101 20 5 DEBDMO CCC[N@H+]1CC[C@@H](CNc2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000891967566 624704706 /nfs/dbraw/zinc/70/47/06/624704706.db2.gz OKCZWGTUVMCHDC-JTQLQIEISA-N 1 1 305.338 2.275 20 5 DEBDMO C[N@H+]1CC[C@H](CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC000892320073 625092112 /nfs/dbraw/zinc/09/21/12/625092112.db2.gz SLQHLPXCXFUMBH-SNVBAGLBSA-N 1 1 304.325 2.068 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000892660018 625237653 /nfs/dbraw/zinc/23/76/53/625237653.db2.gz XWELNBHMCGMRDF-CYBMUJFWSA-N 1 1 322.409 2.338 20 5 DEBDMO COc1cccc(C(=O)NCC[N@H+]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000890071700 634829775 /nfs/dbraw/zinc/82/97/75/634829775.db2.gz FPSIUUCPKYGDLB-UHFFFAOYSA-N 1 1 321.377 2.065 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]21 ZINC000836365336 650083904 /nfs/dbraw/zinc/08/39/04/650083904.db2.gz CJMFQGFXRPWVMC-RNCFNFMXSA-N 1 1 324.768 2.416 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000734484866 633374733 /nfs/dbraw/zinc/37/47/33/633374733.db2.gz KPOGKHWGTHBETB-LBPRGKRZSA-N 1 1 303.366 2.021 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)CCc2ccccn2)c1[N+](=O)[O-] ZINC000893538891 634247185 /nfs/dbraw/zinc/24/71/85/634247185.db2.gz BAHBOTRSGWSECW-UHFFFAOYSA-N 1 1 317.345 2.379 20 5 DEBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000921807722 635350980 /nfs/dbraw/zinc/35/09/80/635350980.db2.gz SJWPECPPZDWMME-GMXVVIOVSA-N 1 1 306.366 2.048 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000893873513 636052625 /nfs/dbraw/zinc/05/26/25/636052625.db2.gz QKUYVZGYYICZHY-HBIYDYFMSA-N 1 1 303.362 2.209 20 5 DEBDMO C[C@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928451508 637263407 /nfs/dbraw/zinc/26/34/07/637263407.db2.gz UENBIHAODHCOAQ-SMDDNHRTSA-N 1 1 305.378 2.081 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](CCO)CC2)c1[N+](=O)[O-] ZINC000894988899 637362843 /nfs/dbraw/zinc/36/28/43/637362843.db2.gz YPZHCYFSEGDDPM-LBPRGKRZSA-N 1 1 324.377 2.294 20 5 DEBDMO CC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000895154684 637681377 /nfs/dbraw/zinc/68/13/77/637681377.db2.gz YOKFJGQWQODCJW-LBPRGKRZSA-N 1 1 310.350 2.310 20 5 DEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000839416652 637871430 /nfs/dbraw/zinc/87/14/30/637871430.db2.gz NLPOXEAJCGXQEU-NSHDSACASA-N 1 1 309.341 2.290 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000839416652 637871433 /nfs/dbraw/zinc/87/14/33/637871433.db2.gz NLPOXEAJCGXQEU-NSHDSACASA-N 1 1 309.341 2.290 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000741578164 637995476 /nfs/dbraw/zinc/99/54/76/637995476.db2.gz GGHALWBYIJGSRF-QMTHXVAHSA-N 1 1 309.341 2.146 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000742424698 638071726 /nfs/dbraw/zinc/07/17/26/638071726.db2.gz AQWOBWYGTSQCDM-LLVKDONJSA-N 1 1 318.377 2.376 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000895538651 638076738 /nfs/dbraw/zinc/07/67/38/638076738.db2.gz GSZGPJUDYQOULY-CYBMUJFWSA-N 1 1 305.378 2.426 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000744345889 638212735 /nfs/dbraw/zinc/21/27/35/638212735.db2.gz TYIFNMDTBFFEMN-JTQLQIEISA-N 1 1 311.769 2.462 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000749688103 638671712 /nfs/dbraw/zinc/67/17/12/638671712.db2.gz IWQVQOSIARSMFK-JLJPHGGASA-N 1 1 321.421 2.433 20 5 DEBDMO CCC(=O)N1CCC([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000985188026 639132386 /nfs/dbraw/zinc/13/23/86/639132386.db2.gz ZNMDAFFOLMEGJB-UHFFFAOYSA-N 1 1 305.378 2.428 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000007561254 639306597 /nfs/dbraw/zinc/30/65/97/639306597.db2.gz VDRQNWVKQGZLCZ-CYBMUJFWSA-N 1 1 308.407 2.366 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000756887088 639710053 /nfs/dbraw/zinc/71/00/53/639710053.db2.gz MTTNLHKJUXUSQW-SWLSCSKDSA-N 1 1 316.361 2.403 20 5 DEBDMO C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925232528 639719809 /nfs/dbraw/zinc/71/98/09/639719809.db2.gz MUCKUPNMMATVOT-CHWSQXEVSA-N 1 1 320.393 2.249 20 5 DEBDMO COCC[N@@H+]1CC[C@@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872035883 639889150 /nfs/dbraw/zinc/88/91/50/639889150.db2.gz OIHORCUQCGGJOD-VXGBXAGGSA-N 1 1 311.357 2.105 20 5 DEBDMO COCC[N@H+]1CC[C@@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872035883 639889154 /nfs/dbraw/zinc/88/91/54/639889154.db2.gz OIHORCUQCGGJOD-VXGBXAGGSA-N 1 1 311.357 2.105 20 5 DEBDMO Cc1cc(F)cc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000758506314 639966310 /nfs/dbraw/zinc/96/63/10/639966310.db2.gz XBFOSNILFUMQHT-SNVBAGLBSA-N 1 1 309.341 2.114 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000758598425 639977249 /nfs/dbraw/zinc/97/72/49/639977249.db2.gz XZTDTSZTNBMWSO-QMTHXVAHSA-N 1 1 321.352 2.255 20 5 DEBDMO Cc1cc(F)cc(C(=O)NCC[N@@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000762704851 640452120 /nfs/dbraw/zinc/45/21/20/640452120.db2.gz GMHUFSRWOBVRGM-UHFFFAOYSA-N 1 1 321.352 2.424 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1O ZINC000897679127 640900238 /nfs/dbraw/zinc/90/02/38/640900238.db2.gz HUOOMGMNQMYEEP-PRHODGIISA-N 1 1 304.268 2.426 20 5 DEBDMO COc1nn(C)cc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000898025968 641004200 /nfs/dbraw/zinc/00/42/00/641004200.db2.gz SKDTWNZJFQOHGZ-ZDUSSCGKSA-N 1 1 302.334 2.114 20 5 DEBDMO Cc1[nH+]ccn1CCCCOC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000769081414 641169961 /nfs/dbraw/zinc/16/99/61/641169961.db2.gz FTGONTBRSYBNNO-UHFFFAOYSA-N 1 1 318.333 2.319 20 5 DEBDMO CC(C)(C)C[N@@H+](CCCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583114 642188141 /nfs/dbraw/zinc/18/81/41/642188141.db2.gz WTZWXZJMKBWTGT-HNNXBMFYSA-N 1 1 310.394 2.359 20 5 DEBDMO CC(C)CO[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587111 642189723 /nfs/dbraw/zinc/18/97/23/642189723.db2.gz UIVPAGOHAJUPEC-HOTGVXAUSA-N 1 1 308.378 2.375 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1C ZINC000901309341 642620356 /nfs/dbraw/zinc/62/03/56/642620356.db2.gz VILGVZQIDDHZKN-QWHCGFSZSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1C ZINC000901309341 642620357 /nfs/dbraw/zinc/62/03/57/642620357.db2.gz VILGVZQIDDHZKN-QWHCGFSZSA-N 1 1 305.378 2.376 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3ncsc3C2)c1 ZINC000782633024 642910211 /nfs/dbraw/zinc/91/02/11/642910211.db2.gz BTQITWRUYXTVQW-ZDUSSCGKSA-N 1 1 305.359 2.143 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3ncsc3C2)c1 ZINC000782633024 642910214 /nfs/dbraw/zinc/91/02/14/642910214.db2.gz BTQITWRUYXTVQW-ZDUSSCGKSA-N 1 1 305.359 2.143 20 5 DEBDMO O=C(CC[N@H+]1CCC[C@@H](F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000902994602 643214531 /nfs/dbraw/zinc/21/45/31/643214531.db2.gz FUZZAFQTOUJZGY-SNVBAGLBSA-N 1 1 313.304 2.496 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H](F)C1 ZINC000902995948 643218051 /nfs/dbraw/zinc/21/80/51/643218051.db2.gz POLVCWNZGINSDZ-NSHDSACASA-N 1 1 323.324 2.327 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H](F)C1 ZINC000902995948 643218055 /nfs/dbraw/zinc/21/80/55/643218055.db2.gz POLVCWNZGINSDZ-NSHDSACASA-N 1 1 323.324 2.327 20 5 DEBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785545144 643247342 /nfs/dbraw/zinc/24/73/42/643247342.db2.gz FHOVXXPUQYPHFC-KNPMLCFXSA-N 1 1 308.378 2.110 20 5 DEBDMO COc1nn(C)cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000903335765 643318078 /nfs/dbraw/zinc/31/80/78/643318078.db2.gz DRGFXOKSZALVQW-LLVKDONJSA-N 1 1 304.350 2.496 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCCC[C@H]2CCO)cc1 ZINC000792925283 644169330 /nfs/dbraw/zinc/16/93/30/644169330.db2.gz JNPRCJDDPWGHED-HOCLYGCPSA-N 1 1 308.378 2.255 20 5 DEBDMO Cc1c(-c2noc(C[NH2+]C[C@@H]3CCCO3)n2)cccc1[N+](=O)[O-] ZINC000843238806 650936504 /nfs/dbraw/zinc/93/65/04/650936504.db2.gz ZVDKBBOVQBRGSQ-NSHDSACASA-N 1 1 318.333 2.222 20 5 DEBDMO C[C@@H](CO)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000796546674 644751926 /nfs/dbraw/zinc/75/19/26/644751926.db2.gz NCJDSKGFDSMTTA-BLLLJJGKSA-N 1 1 308.378 2.111 20 5 DEBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cc1[N+](=O)[O-] ZINC000799157170 645135399 /nfs/dbraw/zinc/13/53/99/645135399.db2.gz PSMPLHKLJMOECK-UZMCECQYSA-N 1 1 322.409 2.319 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000910290201 645393023 /nfs/dbraw/zinc/39/30/23/645393023.db2.gz YIOJDJJTOQYGRF-LLVKDONJSA-N 1 1 309.341 2.290 20 5 DEBDMO C[N@@H+](CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000839956053 645500067 /nfs/dbraw/zinc/50/00/67/645500067.db2.gz RWRNOGKYWMJDLG-INIZCTEOSA-N 1 1 319.361 2.364 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000843896532 651045331 /nfs/dbraw/zinc/04/53/31/651045331.db2.gz GPPYSDMESRARBX-AOOOYVTPSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000843896532 651045335 /nfs/dbraw/zinc/04/53/35/651045335.db2.gz GPPYSDMESRARBX-AOOOYVTPSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1nn(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000840117212 645991357 /nfs/dbraw/zinc/99/13/57/645991357.db2.gz SZIMJHNUMKBAFG-GUTXKFCHSA-N 1 1 308.382 2.073 20 5 DEBDMO Cc1nn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000840117212 645991361 /nfs/dbraw/zinc/99/13/61/645991361.db2.gz SZIMJHNUMKBAFG-GUTXKFCHSA-N 1 1 308.382 2.073 20 5 DEBDMO COCCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809790010 646283182 /nfs/dbraw/zinc/28/31/82/646283182.db2.gz SCCQLFOYWVMMDB-UHFFFAOYSA-N 1 1 302.758 2.343 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000810244925 646344412 /nfs/dbraw/zinc/34/44/12/646344412.db2.gz KCZUMCHQPWODJN-MRXNPFEDSA-N 1 1 323.368 2.424 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000044725661 646427606 /nfs/dbraw/zinc/42/76/06/646427606.db2.gz LPRPXENFMLMEQE-JTQLQIEISA-N 1 1 309.753 2.215 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171668674 646709898 /nfs/dbraw/zinc/70/98/98/646709898.db2.gz VXIPYPAGIUGJKG-NSHDSACASA-N 1 1 310.325 2.319 20 5 DEBDMO CC1(C)[C@@H]2C[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@@H]21 ZINC000172944192 646755873 /nfs/dbraw/zinc/75/58/73/646755873.db2.gz NDUDIODKIYLFPB-BETUJISGSA-N 1 1 313.361 2.399 20 5 DEBDMO CC1(C)[C@@H]2C[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@@H]21 ZINC000172944192 646755878 /nfs/dbraw/zinc/75/58/78/646755878.db2.gz NDUDIODKIYLFPB-BETUJISGSA-N 1 1 313.361 2.399 20 5 DEBDMO CC(C)(C)C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000753697219 646913202 /nfs/dbraw/zinc/91/32/02/646913202.db2.gz NZWQFHRMWFDURG-UHFFFAOYSA-N 1 1 320.393 2.117 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142940 646978295 /nfs/dbraw/zinc/97/82/95/646978295.db2.gz ADHKNKUZVZDULA-IAGOWNOFSA-N 1 1 319.405 2.046 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142941 646978574 /nfs/dbraw/zinc/97/85/74/646978574.db2.gz ADHKNKUZVZDULA-IRXDYDNUSA-N 1 1 319.405 2.046 20 5 DEBDMO CCc1nocc1C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000815172189 646983611 /nfs/dbraw/zinc/98/36/11/646983611.db2.gz NFTZRZVHZYNJDH-HNNXBMFYSA-N 1 1 305.334 2.311 20 5 DEBDMO CCc1nocc1C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000815172189 646983616 /nfs/dbraw/zinc/98/36/16/646983616.db2.gz NFTZRZVHZYNJDH-HNNXBMFYSA-N 1 1 305.334 2.311 20 5 DEBDMO O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000730957335 647436924 /nfs/dbraw/zinc/43/69/24/647436924.db2.gz LZAYIZQIPIPROO-CYBMUJFWSA-N 1 1 320.418 2.366 20 5 DEBDMO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819036962 647569464 /nfs/dbraw/zinc/56/94/64/647569464.db2.gz LDHYTYGURZFNST-CKEIUWERSA-N 1 1 321.421 2.481 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000820832319 647927950 /nfs/dbraw/zinc/92/79/50/647927950.db2.gz VWXQPIPFWYYAPW-SMDDNHRTSA-N 1 1 317.389 2.424 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000822581880 648237269 /nfs/dbraw/zinc/23/72/69/648237269.db2.gz AVAYHWXYMCKFEE-UHFFFAOYSA-N 1 1 303.362 2.203 20 5 DEBDMO CCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000824840763 648660671 /nfs/dbraw/zinc/66/06/71/648660671.db2.gz DICZUXZAWWFUBG-OWCLPIDISA-N 1 1 317.389 2.251 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827232990 648997423 /nfs/dbraw/zinc/99/74/23/648997423.db2.gz NTRLGAKUWLVWLU-YPMHNXCESA-N 1 1 321.352 2.209 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827320841 649014617 /nfs/dbraw/zinc/01/46/17/649014617.db2.gz SOQMFBSRBFSAGZ-YGRLFVJLSA-N 1 1 323.780 2.414 20 5 DEBDMO C[C@@](CO)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(O)c1 ZINC000829921167 649374254 /nfs/dbraw/zinc/37/42/54/649374254.db2.gz HXLYPKRBVDKCNR-INIZCTEOSA-N 1 1 320.320 2.437 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000830218959 649411736 /nfs/dbraw/zinc/41/17/36/649411736.db2.gz AMXDQJLYWYDKIA-CVEARBPZSA-N 1 1 306.362 2.129 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000830218959 649411740 /nfs/dbraw/zinc/41/17/40/649411740.db2.gz AMXDQJLYWYDKIA-CVEARBPZSA-N 1 1 306.362 2.129 20 5 DEBDMO COc1cc(C(=O)OC[C@@H]2CC[N@@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000845819209 651285889 /nfs/dbraw/zinc/28/58/89/651285889.db2.gz GIDCKKQCCLOCRE-NEPJUHHUSA-N 1 1 322.361 2.409 20 5 DEBDMO CCN1C[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)OC1=O ZINC000846817912 651354467 /nfs/dbraw/zinc/35/44/67/651354467.db2.gz GUQZOMBSZCUWAA-HNNXBMFYSA-N 1 1 319.361 2.400 20 5 DEBDMO CCN1C[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)OC1=O ZINC000846817912 651354468 /nfs/dbraw/zinc/35/44/68/651354468.db2.gz GUQZOMBSZCUWAA-HNNXBMFYSA-N 1 1 319.361 2.400 20 5 DEBDMO C[C@H]1CC[N@@H+](CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000847564940 651402909 /nfs/dbraw/zinc/40/29/09/651402909.db2.gz NQIOPHAULSSWHS-JTQLQIEISA-N 1 1 311.769 2.206 20 5 DEBDMO COc1ccc(CC(=O)OCC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000847827837 651421834 /nfs/dbraw/zinc/42/18/34/651421834.db2.gz YRMNXXQAGRRXFA-LBPRGKRZSA-N 1 1 322.361 2.031 20 5 DEBDMO C[C@H]1C[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C ZINC000848480760 651461735 /nfs/dbraw/zinc/46/17/35/651461735.db2.gz SSDVVPWKCPGUGT-ZENOOKHLSA-N 1 1 317.389 2.456 20 5 DEBDMO C[N@@H+](CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)C1CCC1 ZINC000848481280 651461811 /nfs/dbraw/zinc/46/18/11/651461811.db2.gz XNVDEQAAXLAJCC-HNNXBMFYSA-N 1 1 303.362 2.353 20 5 DEBDMO COc1ccc(OCCO[NH+]=C(N)[C@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000848520453 651466170 /nfs/dbraw/zinc/46/61/70/651466170.db2.gz OXZHHORCZOHBTD-ONGXEEELSA-N 1 1 309.322 2.137 20 5 DEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C2 ZINC000854736711 651548367 /nfs/dbraw/zinc/54/83/67/651548367.db2.gz HDAAKPBPOHQRNE-MRXNPFEDSA-N 1 1 321.352 2.292 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000855289784 651666200 /nfs/dbraw/zinc/66/62/00/651666200.db2.gz UTXFUJLOHWDXMP-NSHDSACASA-N 1 1 309.341 2.337 20 5 DEBDMO CC(C)(CCC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)[N+](=O)[O-] ZINC000856358915 651906891 /nfs/dbraw/zinc/90/68/91/651906891.db2.gz VDHLTOSGLPBVJY-OAHLLOKOSA-N 1 1 319.405 2.213 20 5 DEBDMO Cc1noc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1[N+](=O)[O-] ZINC000851730276 652219569 /nfs/dbraw/zinc/21/95/69/652219569.db2.gz APHZUEJKRJUMLT-NSHDSACASA-N 1 1 305.338 2.004 20 5 DEBDMO Cc1noc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1[N+](=O)[O-] ZINC000851730276 652219571 /nfs/dbraw/zinc/21/95/71/652219571.db2.gz APHZUEJKRJUMLT-NSHDSACASA-N 1 1 305.338 2.004 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccn1 ZINC000852018703 652315546 /nfs/dbraw/zinc/31/55/46/652315546.db2.gz PHKMFVZCVDMOPD-MRXNPFEDSA-N 1 1 301.346 2.198 20 5 DEBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000852494846 652410058 /nfs/dbraw/zinc/41/00/58/652410058.db2.gz FVLJEZWEPYSIII-LBPRGKRZSA-N 1 1 300.742 2.095 20 5 DEBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000852494846 652410059 /nfs/dbraw/zinc/41/00/59/652410059.db2.gz FVLJEZWEPYSIII-LBPRGKRZSA-N 1 1 300.742 2.095 20 5 DEBDMO C[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C[C@H]1C ZINC000853500224 652556666 /nfs/dbraw/zinc/55/66/66/652556666.db2.gz PDGXVAFESXVBCJ-TXEJJXNPSA-N 1 1 301.350 2.399 20 5 DEBDMO Cc1nn(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000853573022 652570731 /nfs/dbraw/zinc/57/07/31/652570731.db2.gz VOEUEAQGHMYJCV-HIFRSBDPSA-N 1 1 308.382 2.338 20 5 DEBDMO Cc1nn(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000853573022 652570732 /nfs/dbraw/zinc/57/07/32/652570732.db2.gz VOEUEAQGHMYJCV-HIFRSBDPSA-N 1 1 308.382 2.338 20 5 DEBDMO Cc1cn2c([nH+]1)C[C@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)CC2 ZINC000858772477 685595010 /nfs/dbraw/zinc/59/50/10/685595010.db2.gz BGDZLPVWBGWVMS-LLVKDONJSA-N 1 1 319.365 2.292 20 5 DEBDMO COCC[N@@H+]1[C@H](C)CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000130254093 684187062 /nfs/dbraw/zinc/18/70/62/684187062.db2.gz FMYHQBYYUWOQFM-OKILXGFUSA-N 1 1 307.394 2.136 20 5 DEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C1(O)CCC1 ZINC000929337205 693939092 /nfs/dbraw/zinc/93/90/92/693939092.db2.gz CETKXKSFTOVDDM-HNNXBMFYSA-N 1 1 308.378 2.081 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccnc(F)c3)C2)nc1 ZINC000859193740 685677604 /nfs/dbraw/zinc/67/76/04/685677604.db2.gz CWGZULMIVBCQCU-GFCCVEGCSA-N 1 1 317.324 2.210 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccnc(F)c3)C2)nc1 ZINC000859193740 685677607 /nfs/dbraw/zinc/67/76/07/685677607.db2.gz CWGZULMIVBCQCU-GFCCVEGCSA-N 1 1 317.324 2.210 20 5 DEBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccnc(F)c3)CC2)n1 ZINC000859282361 685697395 /nfs/dbraw/zinc/69/73/95/685697395.db2.gz DEQXWKMNZSKKHY-UHFFFAOYSA-N 1 1 305.313 2.163 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C2CC2)c1 ZINC000929854846 694043819 /nfs/dbraw/zinc/04/38/19/694043819.db2.gz WKQVTZFMRILZGR-COXVUDFISA-N 1 1 318.373 2.363 20 5 DEBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000929954303 694058534 /nfs/dbraw/zinc/05/85/34/694058534.db2.gz GKVYRNIFXASPBK-LBPRGKRZSA-N 1 1 320.324 2.332 20 5 DEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000929954303 694058539 /nfs/dbraw/zinc/05/85/39/694058539.db2.gz GKVYRNIFXASPBK-LBPRGKRZSA-N 1 1 320.324 2.332 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864879973 686872314 /nfs/dbraw/zinc/87/23/14/686872314.db2.gz PMAUPHYWWGXKQK-GFCCVEGCSA-N 1 1 323.368 2.267 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)C1(O)CCCC1)C1CC1 ZINC000930061930 694080111 /nfs/dbraw/zinc/08/01/11/694080111.db2.gz VVTSEUGUFAKCJV-MRXNPFEDSA-N 1 1 320.389 2.225 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)C1(O)CCCC1)C1CC1 ZINC000930061930 694080115 /nfs/dbraw/zinc/08/01/15/694080115.db2.gz VVTSEUGUFAKCJV-MRXNPFEDSA-N 1 1 320.389 2.225 20 5 DEBDMO O=[N+]([O-])c1cc(CO)c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000865447375 687214745 /nfs/dbraw/zinc/21/47/45/687214745.db2.gz HDKAOAONNUPHMG-NEPJUHHUSA-N 1 1 309.341 2.265 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)c(C(F)F)c1 ZINC000865675597 687298153 /nfs/dbraw/zinc/29/81/53/687298153.db2.gz BOCMSIDKJYINBY-LLVKDONJSA-N 1 1 313.304 2.053 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCOC[C@H]3C2)c(C(F)F)c1 ZINC000865675597 687298156 /nfs/dbraw/zinc/29/81/56/687298156.db2.gz BOCMSIDKJYINBY-LLVKDONJSA-N 1 1 313.304 2.053 20 5 DEBDMO C[C@@](CO)([NH2+]Cc1ccnc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000865703955 687306989 /nfs/dbraw/zinc/30/69/89/687306989.db2.gz PEIZLSTWHGHNSO-HNNXBMFYSA-N 1 1 305.309 2.126 20 5 DEBDMO CC[N@@H+](CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000865819279 687344575 /nfs/dbraw/zinc/34/45/75/687344575.db2.gz GKZRTQHHMWRCSG-UHFFFAOYSA-N 1 1 311.357 2.123 20 5 DEBDMO C[N@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CCC1(C)C ZINC000866114846 687451554 /nfs/dbraw/zinc/45/15/54/687451554.db2.gz RMPPMWGTAQRFIK-UHFFFAOYSA-N 1 1 309.395 2.225 20 5 DEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866206386 687491849 /nfs/dbraw/zinc/49/18/49/687491849.db2.gz DAXHLVXHMKZAEK-WFASDCNBSA-N 1 1 303.362 2.328 20 5 DEBDMO C[C@@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1cccc([N+](=O)[O-])c1 ZINC000866411934 687564867 /nfs/dbraw/zinc/56/48/67/687564867.db2.gz YXVLXWHJCCBTEJ-OCCSQVGLSA-N 1 1 307.394 2.091 20 5 DEBDMO C[C@@H](N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1cccc([N+](=O)[O-])c1 ZINC000866411934 687564870 /nfs/dbraw/zinc/56/48/70/687564870.db2.gz YXVLXWHJCCBTEJ-OCCSQVGLSA-N 1 1 307.394 2.091 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868013433 687876501 /nfs/dbraw/zinc/87/65/01/687876501.db2.gz GQIJEXMVVXMZTE-AWEZNQCLSA-N 1 1 320.393 2.187 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930677120 694216127 /nfs/dbraw/zinc/21/61/27/694216127.db2.gz XJFHZWBSPLMQCF-DAXOMENPSA-N 1 1 315.373 2.051 20 5 DEBDMO C[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000871150699 688735776 /nfs/dbraw/zinc/73/57/76/688735776.db2.gz QOBVZZCQWMBDNN-UHFFFAOYSA-N 1 1 305.378 2.080 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCN1CCC(O)CC1 ZINC000873021287 689142399 /nfs/dbraw/zinc/14/23/99/689142399.db2.gz KOBNKOPYZYECAS-UHFFFAOYSA-N 1 1 321.421 2.148 20 5 DEBDMO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000930927246 694275946 /nfs/dbraw/zinc/27/59/46/694275946.db2.gz BJIXXJIIXFVZDX-JKSUJKDBSA-N 1 1 315.373 2.005 20 5 DEBDMO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000930912600 694270506 /nfs/dbraw/zinc/27/05/06/694270506.db2.gz ACIGMEHAFYLCGM-OUAUKWLOSA-N 1 1 309.341 2.208 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000874845921 689515878 /nfs/dbraw/zinc/51/58/78/689515878.db2.gz WWTMNQDYQXTLHC-KGLIPLIRSA-N 1 1 307.325 2.043 20 5 DEBDMO CCCCN1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876976729 689988112 /nfs/dbraw/zinc/98/81/12/689988112.db2.gz RQGWFQWRRJARAT-UHFFFAOYSA-N 1 1 321.425 2.349 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931200508 694339161 /nfs/dbraw/zinc/33/91/61/694339161.db2.gz UBNAKIWUWVFXHX-SNVBAGLBSA-N 1 1 302.334 2.153 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931200508 694339163 /nfs/dbraw/zinc/33/91/63/694339163.db2.gz UBNAKIWUWVFXHX-SNVBAGLBSA-N 1 1 302.334 2.153 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000877626306 690171425 /nfs/dbraw/zinc/17/14/25/690171425.db2.gz UKHBMFCZMYJCIF-CYBMUJFWSA-N 1 1 319.361 2.238 20 5 DEBDMO O=C1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCCCCCN1 ZINC000877685921 690190916 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ZINC000933756619 800178818 /nfs/dbraw/zinc/17/88/18/800178818.db2.gz VMGAIAFKAFLEIQ-MKBNYLNASA-N 1 1 303.362 2.243 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000934121078 800268165 /nfs/dbraw/zinc/26/81/65/800268165.db2.gz JWKGZZQGQBDORK-DDTOSNHZSA-N 1 1 307.350 2.031 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000934121078 800268169 /nfs/dbraw/zinc/26/81/69/800268169.db2.gz JWKGZZQGQBDORK-DDTOSNHZSA-N 1 1 307.350 2.031 20 5 DEBDMO CC(=O)c1cccc(O[C@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001229138841 801229426 /nfs/dbraw/zinc/22/94/26/801229426.db2.gz QVEBZBAQLBHEHI-NSHDSACASA-N 1 1 301.302 2.388 20 5 DEBDMO CC[N@H+]1CC[C@H](Oc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001229958837 801342992 /nfs/dbraw/zinc/34/29/92/801342992.db2.gz WMGLINWOJCVYNG-NSHDSACASA-N 1 1 308.334 2.163 20 5 DEBDMO CN1CCO[C@@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001231620785 801696578 /nfs/dbraw/zinc/69/65/78/801696578.db2.gz INKQKTXTLFLVHK-LYYDLTQRSA-N 1 1 317.389 2.013 20 5 DEBDMO CC[N@H+]1CCC[C@@H](OCc2cccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001223663020 802807233 /nfs/dbraw/zinc/80/72/33/802807233.db2.gz QQGDLGBTAZSVPJ-CYBMUJFWSA-N 1 1 322.361 2.382 20 5 DEBDMO CC[N@H+]1CCC[C@@H](Oc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC001227044934 803192846 /nfs/dbraw/zinc/19/28/46/803192846.db2.gz RYSZLCPBDBKERD-GFCCVEGCSA-N 1 1 308.334 2.245 20 5 DEBDMO CC[N@H+]1CC[C@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227218865 803217076 /nfs/dbraw/zinc/21/70/76/803217076.db2.gz DJRQLKVZCFDROC-NSHDSACASA-N 1 1 303.318 2.322 20 5 DEBDMO COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001227542173 803249808 /nfs/dbraw/zinc/24/98/08/803249808.db2.gz UPYPBWFVKNTNBV-SECBINFHSA-N 1 1 314.363 2.304 20 5 DEBDMO COC(=O)c1cccc(O[C@@H]2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC001227894998 803292594 /nfs/dbraw/zinc/29/25/94/803292594.db2.gz STYYYQLCRAPBRJ-LLVKDONJSA-N 1 1 308.334 2.245 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001334807633 1150343789 /nfs/dbraw/zinc/34/37/89/1150343789.db2.gz IAVPBMGDOZSHBJ-AWEZNQCLSA-N 1 1 321.352 2.496 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001336053989 1150607789 /nfs/dbraw/zinc/60/77/89/1150607789.db2.gz AFFZAWXNMRFBGE-HNNXBMFYSA-N 1 1 303.362 2.310 20 5 DEBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346217228 1150952341 /nfs/dbraw/zinc/95/23/41/1150952341.db2.gz FWPVCWGUWIGJRQ-UHFFFAOYSA-N 1 1 305.378 2.266 20 5 DEBDMO CC[C@@H](C)[N@@H+](CC)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604007639 1070174775 /nfs/dbraw/zinc/17/47/75/1070174775.db2.gz PUSZOBFBNGZCDT-SNVBAGLBSA-N 1 1 304.354 2.395 20 5 DEBDMO Cc1[nH]c(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC001456034822 1057808745 /nfs/dbraw/zinc/80/87/45/1057808745.db2.gz HQKPZEFPUKEBIL-UHFFFAOYSA-N 1 1 320.374 2.343 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001470071254 1060045974 /nfs/dbraw/zinc/04/59/74/1060045974.db2.gz CCXVKSUIMDXNSN-NSHDSACASA-N 1 1 320.393 2.027 20 5 DEBDMO CC/C=C\CC[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001495160701 1064735112 /nfs/dbraw/zinc/73/51/12/1064735112.db2.gz KDPXJCASYSBIJL-JHZNUDOXSA-N 1 1 309.410 2.027 20 5 DEBDMO CC(C)CNC(=O)C1([NH2+]Cc2cccnc2[N+](=O)[O-])CCCC1 ZINC001616002364 1078129591 /nfs/dbraw/zinc/12/95/91/1078129591.db2.gz CSQRXGIIXLPYGD-UHFFFAOYSA-N 1 1 320.393 2.164 20 5 DEBDMO C[C@@H](C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001628224889 1078293659 /nfs/dbraw/zinc/29/36/59/1078293659.db2.gz YKMWRZIWLBLOQO-YUELXQCFSA-N 1 1 317.389 2.108 20 5 DEBDMO O=C(NCc1c[nH+]c2n1CCC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC001634540172 1078431004 /nfs/dbraw/zinc/43/10/04/1078431004.db2.gz HAQGVHGEBRGSSM-UHFFFAOYSA-N 1 1 320.736 2.321 20 5 DEBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)c(N)c1[N+](=O)[O-] ZINC001636724134 1078487794 /nfs/dbraw/zinc/48/77/94/1078487794.db2.gz PFJGKFFWGVEFFR-GFCCVEGCSA-N 1 1 304.350 2.051 20 5 DEBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c(N)c1[N+](=O)[O-] ZINC001636724134 1078487799 /nfs/dbraw/zinc/48/77/99/1078487799.db2.gz PFJGKFFWGVEFFR-GFCCVEGCSA-N 1 1 304.350 2.051 20 5 DEBDMO C[C@@H](NC(=O)[C@H]1[NH2+]CCc2occc21)c1ccccc1[N+](=O)[O-] ZINC001579410336 1067332284 /nfs/dbraw/zinc/33/22/84/1067332284.db2.gz KFRGNZRZKIOGCJ-BMIGLBTASA-N 1 1 315.329 2.252 20 5 DEBDMO Cc1[nH]c(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001638892842 1078585550 /nfs/dbraw/zinc/58/55/50/1078585550.db2.gz KAIXHZOTZJOXPF-VIFPVBQESA-N 1 1 302.334 2.355 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001644455828 1078846366 /nfs/dbraw/zinc/84/63/66/1078846366.db2.gz YVZWNCXZUQMITM-UHFFFAOYSA-N 1 1 316.361 2.103 20 5 DEBDMO CCOc1cc(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001648478409 1074999468 /nfs/dbraw/zinc/99/94/68/1074999468.db2.gz FIQJGDWIMQNGEK-PBHICJAKSA-N 1 1 319.405 2.377 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C(C)(C)C1 ZINC001558524669 1075097423 /nfs/dbraw/zinc/09/74/23/1075097423.db2.gz DEWYCHILNMKURP-AWEZNQCLSA-N 1 1 321.377 2.064 20 5 DEBDMO O=C1OCC[C@]12CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001560237396 1075134549 /nfs/dbraw/zinc/13/45/49/1075134549.db2.gz MTENKYBHUCRJQN-AWEZNQCLSA-N 1 1 310.737 2.387 20 5 DEBDMO O=C1OCC[C@]12CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001560237396 1075134550 /nfs/dbraw/zinc/13/45/50/1075134550.db2.gz MTENKYBHUCRJQN-AWEZNQCLSA-N 1 1 310.737 2.387 20 5 DEBDMO Cc1ccc(CNC[C@@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC001560363765 1075138305 /nfs/dbraw/zinc/13/83/05/1075138305.db2.gz HLFSEFWMMJSRHG-HNNXBMFYSA-N 1 1 309.435 2.430 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@]2(CCOC2=O)C1 ZINC001561052878 1075150878 /nfs/dbraw/zinc/15/08/78/1075150878.db2.gz NSVWVYQIOLPJSU-INIZCTEOSA-N 1 1 304.346 2.351 20 5 DEBDMO Cc1nc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC001620865366 1076544488 /nfs/dbraw/zinc/54/44/88/1076544488.db2.gz PVOHXWWAEKCMKR-UHFFFAOYSA-N 1 1 303.366 2.477 20 5 DEBDMO Cc1nnc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[nH]1 ZINC001620865366 1076544491 /nfs/dbraw/zinc/54/44/91/1076544491.db2.gz PVOHXWWAEKCMKR-UHFFFAOYSA-N 1 1 303.366 2.477 20 5 DEBDMO CC[C@@H]1CCC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590514037 1076645550 /nfs/dbraw/zinc/64/55/50/1076645550.db2.gz YQBSXAIJSJMVKN-LLVKDONJSA-N 1 1 316.365 2.397 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001608184441 1077604197 /nfs/dbraw/zinc/60/41/97/1077604197.db2.gz SOJQATRFOSTJNZ-AWEZNQCLSA-N 1 1 323.368 2.219 20 5 DEBDMO Nc1nc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)ncc1[N+](=O)[O-] ZINC001651340049 1079803401 /nfs/dbraw/zinc/80/34/01/1079803401.db2.gz KDHWRKZTQHEQKJ-LBPRGKRZSA-N 1 1 320.397 2.176 20 5 DEBDMO Nc1[nH+]ccc2c1CN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2 ZINC001651509153 1079816866 /nfs/dbraw/zinc/81/68/66/1079816866.db2.gz CQZKICGJSKMWER-UHFFFAOYSA-N 1 1 322.328 2.078 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001652340329 1079871140 /nfs/dbraw/zinc/87/11/40/1079871140.db2.gz XOIXVIJDCFUSBA-ZDUSSCGKSA-N 1 1 304.394 2.399 20 5 DEBDMO O=C1OCC[C@]12CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001655919095 1080025752 /nfs/dbraw/zinc/02/57/52/1080025752.db2.gz ODGZJGZTQSGCIU-AWEZNQCLSA-N 1 1 310.737 2.387 20 5 DEBDMO O=C1OCC[C@]12CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001655919095 1080025763 /nfs/dbraw/zinc/02/57/63/1080025763.db2.gz ODGZJGZTQSGCIU-AWEZNQCLSA-N 1 1 310.737 2.387 20 5 DEBDMO COc1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC001658175762 1080200465 /nfs/dbraw/zinc/20/04/65/1080200465.db2.gz QFYYDXZMKIQENY-BFHYXJOUSA-N 1 1 305.378 2.033 20 5 DEBDMO C[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC001660098117 1080267348 /nfs/dbraw/zinc/26/73/48/1080267348.db2.gz DIKVUYSCFLOYHP-LBPRGKRZSA-N 1 1 324.340 2.454 20 5 DEBDMO C/C=C(\C)C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001490176705 1093233975 /nfs/dbraw/zinc/23/39/75/1093233975.db2.gz UPVDBQJHWYMWBN-YIXHJXPBSA-N 1 1 305.378 2.499 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC001293854265 1139049793 /nfs/dbraw/zinc/04/97/93/1139049793.db2.gz ALOKJDGVLDHOPO-BXUZGUMPSA-N 1 1 323.368 2.455 20 5 DEBDMO Cc1cc(NCC[N@@H+](C)CCO)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307208741 1139712915 /nfs/dbraw/zinc/71/29/15/1139712915.db2.gz QATUHSYWUNSRQP-UHFFFAOYSA-N 1 1 321.299 2.258 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC001319031754 1140493181 /nfs/dbraw/zinc/49/31/81/1140493181.db2.gz YAIFQTAFNOBOHC-CYBMUJFWSA-N 1 1 320.393 2.126 20 5 DEBDMO Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001319645302 1140635066 /nfs/dbraw/zinc/63/50/66/1140635066.db2.gz MAZBTMITYTVSHM-UHFFFAOYSA-N 1 1 301.302 2.046 20 5 DEBDMO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCC[C@H]2N)c([N+](=O)[O-])c1 ZINC001246475292 1140915340 /nfs/dbraw/zinc/91/53/40/1140915340.db2.gz CWJJGVCRDIWNCQ-DFBGVHRSSA-N 1 1 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ZINC000578435757 356816035 /nfs/dbraw/zinc/81/60/35/356816035.db2.gz PKQXGLPXEOEBHE-NSHDSACASA-N 1 1 308.256 2.006 20 5 DEBDMO CON1CCC([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000590967258 357655151 /nfs/dbraw/zinc/65/51/51/357655151.db2.gz WBBIKIATNVAFCQ-UHFFFAOYSA-N 1 1 323.393 2.321 20 5 DEBDMO COC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591015697 357660995 /nfs/dbraw/zinc/66/09/95/357660995.db2.gz CNOOJIVYCIWRBB-CQSZACIVSA-N 1 1 307.350 2.034 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000592140548 357838157 /nfs/dbraw/zinc/83/81/57/357838157.db2.gz XHDKBTJHNSBMGI-ZOWXZIJZSA-N 1 1 319.361 2.033 20 5 DEBDMO Cc1c(NC(=O)CCN2CCC(C)([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000592485180 357885426 /nfs/dbraw/zinc/88/54/26/357885426.db2.gz QIILWJVJRKWSDB-UHFFFAOYSA-N 1 1 320.393 2.045 20 5 DEBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592770657 357940300 /nfs/dbraw/zinc/94/03/00/357940300.db2.gz CBYIKKSSASRNMT-OUCADQQQSA-N 1 1 305.378 2.421 20 5 DEBDMO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C)C1 ZINC000592832784 357954267 /nfs/dbraw/zinc/95/42/67/357954267.db2.gz WAXXWDLXGUUGNH-GFCCVEGCSA-N 1 1 309.341 2.290 20 5 DEBDMO COc1cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000593189241 358031401 /nfs/dbraw/zinc/03/14/01/358031401.db2.gz YPWOXSIDLJJGSU-WOPDTQHZSA-N 1 1 321.377 2.157 20 5 DEBDMO O=C(CC[N@@H+]1CCCCC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000594017431 358190012 /nfs/dbraw/zinc/19/00/12/358190012.db2.gz ZRWHSYPIAJWBBZ-CYBMUJFWSA-N 1 1 321.377 2.160 20 5 DEBDMO COc1cc(C[N@@H+]2CCCCC[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000594017158 358190044 /nfs/dbraw/zinc/19/00/44/358190044.db2.gz SJVZMEUDGNLBDV-GFCCVEGCSA-N 1 1 312.341 2.479 20 5 DEBDMO COc1cc(C[N@H+]2CCCCC[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000594017158 358190048 /nfs/dbraw/zinc/19/00/48/358190048.db2.gz SJVZMEUDGNLBDV-GFCCVEGCSA-N 1 1 312.341 2.479 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])s1 ZINC000594197354 358221514 /nfs/dbraw/zinc/22/15/14/358221514.db2.gz CNMLRQPDJFHEGE-GHMZBOCLSA-N 1 1 309.391 2.403 20 5 DEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])s1 ZINC000594197360 358221921 /nfs/dbraw/zinc/22/19/21/358221921.db2.gz CNMLRQPDJFHEGE-WDEREUQCSA-N 1 1 309.391 2.403 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000338444637 127352974 /nfs/dbraw/zinc/35/29/74/127352974.db2.gz ZUTDMNXEHHQBBG-UHFFFAOYSA-N 1 1 321.312 2.451 20 5 DEBDMO Cc1noc(CN2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595290684 358413851 /nfs/dbraw/zinc/41/38/51/358413851.db2.gz JKLMIVXYYOOZKU-UHFFFAOYSA-N 1 1 316.361 2.209 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@]1(C)CO ZINC000595870531 358568179 /nfs/dbraw/zinc/56/81/79/358568179.db2.gz HGJJXXRFBLKUTL-BONVTDFDSA-N 1 1 305.334 2.186 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596093656 358609183 /nfs/dbraw/zinc/60/91/83/358609183.db2.gz CVXFLJMLMNMORW-LBPRGKRZSA-N 1 1 320.393 2.226 20 5 DEBDMO Cc1cc(N2CCN(c3[nH+]ccn3C)CC2)c([N+](=O)[O-])s1 ZINC000596135288 358619364 /nfs/dbraw/zinc/61/93/64/358619364.db2.gz PHWIVRFLVBVHKM-UHFFFAOYSA-N 1 1 307.379 2.025 20 5 DEBDMO Nc1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1[N+](=O)[O-] ZINC000596169087 358628615 /nfs/dbraw/zinc/62/86/15/358628615.db2.gz FAYLYZJMNKBVPC-BXUZGUMPSA-N 1 1 317.393 2.025 20 5 DEBDMO Cc1nn(C)c(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596477306 358694940 /nfs/dbraw/zinc/69/49/40/358694940.db2.gz JNGPOYOJTLNVGF-GFCCVEGCSA-N 1 1 307.398 2.456 20 5 DEBDMO COc1c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597926041 359044660 /nfs/dbraw/zinc/04/46/60/359044660.db2.gz ZUKNJFKWYMRYPX-NSHDSACASA-N 1 1 321.377 2.206 20 5 DEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000597716969 358987309 /nfs/dbraw/zinc/98/73/09/358987309.db2.gz UQGBJJPNFLMLRR-QGZVFWFLSA-N 1 1 317.389 2.082 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598343468 359170460 /nfs/dbraw/zinc/17/04/60/359170460.db2.gz WBSXNLGTUXSLSO-CQSZACIVSA-N 1 1 319.405 2.473 20 5 DEBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000598645315 359273412 /nfs/dbraw/zinc/27/34/12/359273412.db2.gz CQGNXGSUJHTABY-CMPLNLGQSA-N 1 1 312.341 2.193 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000598645315 359273415 /nfs/dbraw/zinc/27/34/15/359273415.db2.gz CQGNXGSUJHTABY-CMPLNLGQSA-N 1 1 312.341 2.193 20 5 DEBDMO CO[C@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599093668 359402077 /nfs/dbraw/zinc/40/20/77/359402077.db2.gz VENWWVTYXCJSFM-BPLDGKMQSA-N 1 1 316.361 2.185 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000186774698 200008489 /nfs/dbraw/zinc/00/84/89/200008489.db2.gz UDRBKVJOSLQVPJ-UHFFFAOYSA-N 1 1 305.378 2.080 20 5 DEBDMO CC1(CO)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000186948807 200036288 /nfs/dbraw/zinc/03/62/88/200036288.db2.gz SCKKIAXJRKEKHS-UHFFFAOYSA-N 1 1 305.334 2.330 20 5 DEBDMO CN(C(=O)C[N@@H+]1CCCC2(CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000186993698 200044806 /nfs/dbraw/zinc/04/48/06/200044806.db2.gz UFMYWDRKJNALQT-UHFFFAOYSA-N 1 1 303.362 2.434 20 5 DEBDMO CN(C(=O)C[N@H+]1CCCC2(CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000186993698 200044808 /nfs/dbraw/zinc/04/48/08/200044808.db2.gz UFMYWDRKJNALQT-UHFFFAOYSA-N 1 1 303.362 2.434 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601006407 359891535 /nfs/dbraw/zinc/89/15/35/359891535.db2.gz WNRNJDFEDAULCV-UHFFFAOYSA-N 1 1 306.297 2.059 20 5 DEBDMO C[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[S@@]1=O ZINC000601156513 359946347 /nfs/dbraw/zinc/94/63/47/359946347.db2.gz XVOUUGAFOHSDJN-SAHAZLINSA-N 1 1 319.386 2.490 20 5 DEBDMO CCC[C@@H](C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602474663 360393098 /nfs/dbraw/zinc/39/30/98/360393098.db2.gz RDFACJRSUICRQG-JSGCOSHPSA-N 1 1 308.382 2.291 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000602590927 360447754 /nfs/dbraw/zinc/44/77/54/360447754.db2.gz LKNIMXLOMDJHON-BXUZGUMPSA-N 1 1 316.361 2.262 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(CN[C@@H]3CC[N@H+](C4CC4)C3)nc2c1 ZINC000602543390 360424945 /nfs/dbraw/zinc/42/49/45/360424945.db2.gz CNJSXHBQRNMIDI-SNVBAGLBSA-N 1 1 302.334 2.062 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCN(C4CC4)C3)nc2c1 ZINC000602543390 360424949 /nfs/dbraw/zinc/42/49/49/360424949.db2.gz CNJSXHBQRNMIDI-SNVBAGLBSA-N 1 1 302.334 2.062 20 5 DEBDMO CC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC ZINC000602685658 360497034 /nfs/dbraw/zinc/49/70/34/360497034.db2.gz JTBKGIOSXSRRAC-JTQLQIEISA-N 1 1 319.283 2.228 20 5 DEBDMO Cc1c(C[NH2+]Cc2cc3c(cn2)OCCO3)cccc1[N+](=O)[O-] ZINC000602631972 360467802 /nfs/dbraw/zinc/46/78/02/360467802.db2.gz HJAPFEUEAFOGFI-UHFFFAOYSA-N 1 1 315.329 2.359 20 5 DEBDMO CC[C@@]1(O)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602739328 360529506 /nfs/dbraw/zinc/52/95/06/360529506.db2.gz MPYJHVFGRRYEDH-OAHLLOKOSA-N 1 1 305.334 2.473 20 5 DEBDMO CC[C@@]1(O)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602739328 360529510 /nfs/dbraw/zinc/52/95/10/360529510.db2.gz MPYJHVFGRRYEDH-OAHLLOKOSA-N 1 1 305.334 2.473 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H](C)c1nccs1 ZINC000602805711 360564697 /nfs/dbraw/zinc/56/46/97/360564697.db2.gz OSFGWQQJXAYJKB-JTQLQIEISA-N 1 1 309.395 2.292 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCSC2(CCC2)CC1 ZINC000602841791 360584871 /nfs/dbraw/zinc/58/48/71/360584871.db2.gz UJQCTDYIRAVOPT-UHFFFAOYSA-N 1 1 310.423 2.461 20 5 DEBDMO CC[C@@]1(O)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602983395 360653751 /nfs/dbraw/zinc/65/37/51/360653751.db2.gz JJCINONZLJQYFT-BLLLJJGKSA-N 1 1 321.377 2.159 20 5 DEBDMO CC[C@@]1(O)CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602983395 360653753 /nfs/dbraw/zinc/65/37/53/360653753.db2.gz JJCINONZLJQYFT-BLLLJJGKSA-N 1 1 321.377 2.159 20 5 DEBDMO CC[NH+](CC)Cc1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000603224575 360754831 /nfs/dbraw/zinc/75/48/31/360754831.db2.gz QWZGFBJKYPRRHG-UHFFFAOYSA-N 1 1 307.329 2.216 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC4(C3)CCOCC4)nc2c1 ZINC000444650389 238224636 /nfs/dbraw/zinc/22/46/36/238224636.db2.gz OLUHHHPXEZWPFK-UHFFFAOYSA-N 1 1 316.361 2.474 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC4(C3)CCOCC4)nc2c1 ZINC000444650389 238224643 /nfs/dbraw/zinc/22/46/43/238224643.db2.gz OLUHHHPXEZWPFK-UHFFFAOYSA-N 1 1 316.361 2.474 20 5 DEBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000604482389 360909584 /nfs/dbraw/zinc/90/95/84/360909584.db2.gz BXUPRQSREAUAQA-UHFFFAOYSA-N 1 1 322.409 2.270 20 5 DEBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000609141509 361283205 /nfs/dbraw/zinc/28/32/05/361283205.db2.gz OHHAPGZDQAQCSK-UHFFFAOYSA-N 1 1 314.345 2.026 20 5 DEBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000609141509 361283211 /nfs/dbraw/zinc/28/32/11/361283211.db2.gz OHHAPGZDQAQCSK-UHFFFAOYSA-N 1 1 314.345 2.026 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000609442553 361312272 /nfs/dbraw/zinc/31/22/72/361312272.db2.gz CJLHBVAZWLBKAW-LLVKDONJSA-N 1 1 309.341 2.194 20 5 DEBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000610476479 361405384 /nfs/dbraw/zinc/40/53/84/361405384.db2.gz QKEDXPADVDKOCS-BNOWGMLFSA-N 1 1 322.409 2.354 20 5 DEBDMO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000193722899 201112449 /nfs/dbraw/zinc/11/24/49/201112449.db2.gz FTWQUZVGNRPPPJ-LBPRGKRZSA-N 1 1 322.365 2.277 20 5 DEBDMO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000610437229 361400070 /nfs/dbraw/zinc/40/00/70/361400070.db2.gz XCHKUJLNCBXFMY-HNNXBMFYSA-N 1 1 317.389 2.371 20 5 DEBDMO CC[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000611092094 361525590 /nfs/dbraw/zinc/52/55/90/361525590.db2.gz IPOGNVZWRFYZJW-NSHDSACASA-N 1 1 304.350 2.262 20 5 DEBDMO C[N@H+]1CCN(CCNc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000281569012 216390802 /nfs/dbraw/zinc/39/08/02/216390802.db2.gz DUOKORAKJHQCHL-UHFFFAOYSA-N 1 1 310.373 2.172 20 5 DEBDMO CC(C)Oc1nc(NCCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC001354028589 1151867671 /nfs/dbraw/zinc/86/76/71/1151867671.db2.gz HFEZXWBKLDCQEB-UHFFFAOYSA-N 1 1 305.338 2.165 20 5 DEBDMO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451558337 243114999 /nfs/dbraw/zinc/11/49/99/243114999.db2.gz GBHNYPBXHNSEPR-SLEUVZQESA-N 1 1 321.377 2.279 20 5 DEBDMO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451558337 243115009 /nfs/dbraw/zinc/11/50/09/243115009.db2.gz GBHNYPBXHNSEPR-SLEUVZQESA-N 1 1 321.377 2.279 20 5 DEBDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451556835 243119657 /nfs/dbraw/zinc/11/96/57/243119657.db2.gz DQJLOGIFUMFEGA-TZMCWYRMSA-N 1 1 305.378 2.251 20 5 DEBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000264650222 204053330 /nfs/dbraw/zinc/05/33/30/204053330.db2.gz QEJVMDFDXSDBTB-LBPRGKRZSA-N 1 1 303.362 2.117 20 5 DEBDMO CCCCCNC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282560809 217090278 /nfs/dbraw/zinc/09/02/78/217090278.db2.gz YLGUXQMMOGFROT-UHFFFAOYSA-N 1 1 307.394 2.376 20 5 DEBDMO CCCCCNC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282560809 217090279 /nfs/dbraw/zinc/09/02/79/217090279.db2.gz YLGUXQMMOGFROT-UHFFFAOYSA-N 1 1 307.394 2.376 20 5 DEBDMO CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CCC[N@@H+](C)C1 ZINC000265960060 205000470 /nfs/dbraw/zinc/00/04/70/205000470.db2.gz GPPKYHRAFDENAY-GFCCVEGCSA-N 1 1 316.361 2.242 20 5 DEBDMO CC[N@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000267600392 206167788 /nfs/dbraw/zinc/16/77/88/206167788.db2.gz LXJNZAKGLUTJQI-UHFFFAOYSA-N 1 1 304.350 2.264 20 5 DEBDMO CC(C)[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000493015635 249196062 /nfs/dbraw/zinc/19/60/62/249196062.db2.gz KLFNMPOSDCTXRA-FDMDGMSGSA-N 1 1 317.389 2.407 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000105347765 194099380 /nfs/dbraw/zinc/09/93/80/194099380.db2.gz FEPPPMFGXAAVFT-UHFFFAOYSA-N 1 1 306.366 2.463 20 5 DEBDMO O=[N+]([O-])c1ccccc1-c1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000273860879 211120652 /nfs/dbraw/zinc/12/06/52/211120652.db2.gz CVPSAQYCBBHSHU-MFKMUULPSA-N 1 1 316.317 2.181 20 5 DEBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCC[C@@H]1O ZINC000159479556 197357016 /nfs/dbraw/zinc/35/70/16/197357016.db2.gz YNOBGFSGFFPADQ-MFKMUULPSA-N 1 1 305.334 2.329 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cs1 ZINC000105884169 194157465 /nfs/dbraw/zinc/15/74/65/194157465.db2.gz QNTSPPGFWIVULF-NSHDSACASA-N 1 1 307.379 2.160 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)cs1 ZINC000105884169 194157467 /nfs/dbraw/zinc/15/74/67/194157467.db2.gz QNTSPPGFWIVULF-NSHDSACASA-N 1 1 307.379 2.160 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000119817114 195042968 /nfs/dbraw/zinc/04/29/68/195042968.db2.gz ZSFDIFAKDVNFBF-OAHLLOKOSA-N 1 1 319.405 2.231 20 5 DEBDMO CC(C)[C@H](C)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272950875 210338360 /nfs/dbraw/zinc/33/83/60/210338360.db2.gz PTIVPGXQJRRBRM-LBPRGKRZSA-N 1 1 314.407 2.345 20 5 DEBDMO CC(C)[C@H](C)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272950875 210338364 /nfs/dbraw/zinc/33/83/64/210338364.db2.gz PTIVPGXQJRRBRM-LBPRGKRZSA-N 1 1 314.407 2.345 20 5 DEBDMO CCOCC[N@@H+](CC)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000157572350 197198883 /nfs/dbraw/zinc/19/88/83/197198883.db2.gz OINYVSKFKQDFLH-OAHLLOKOSA-N 1 1 321.377 2.059 20 5 DEBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ncccc1[N+](=O)[O-] ZINC000154573425 196975859 /nfs/dbraw/zinc/97/58/59/196975859.db2.gz WLBNIVOYEWAXCE-UHFFFAOYSA-N 1 1 315.333 2.273 20 5 DEBDMO Cn1ccnc1[C@H]([NH2+]CCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000353669892 132991927 /nfs/dbraw/zinc/99/19/27/132991927.db2.gz JYQGKEYHGMGVCN-CQSZACIVSA-N 1 1 318.377 2.168 20 5 DEBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000359942747 133154371 /nfs/dbraw/zinc/15/43/71/133154371.db2.gz OLDNLLMPIATROA-VXGBXAGGSA-N 1 1 321.377 2.076 20 5 DEBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000359942747 133154372 /nfs/dbraw/zinc/15/43/72/133154372.db2.gz OLDNLLMPIATROA-VXGBXAGGSA-N 1 1 321.377 2.076 20 5 DEBDMO C[N@H+]1CCCC12CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000364643593 404481980 /nfs/dbraw/zinc/48/19/80/404481980.db2.gz GSJLLIIXXMQTIG-INIZCTEOSA-N 1 1 319.405 2.188 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000246943668 145120227 /nfs/dbraw/zinc/12/02/27/145120227.db2.gz NQNMTQWGENPDJJ-CABCVRRESA-N 1 1 324.402 2.180 20 5 DEBDMO C[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751257 145363466 /nfs/dbraw/zinc/36/34/66/145363466.db2.gz HXECMHDWEZLRFA-MAZHCROVSA-N 1 1 305.378 2.109 20 5 DEBDMO C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751257 145363467 /nfs/dbraw/zinc/36/34/67/145363467.db2.gz HXECMHDWEZLRFA-MAZHCROVSA-N 1 1 305.378 2.109 20 5 DEBDMO Cc1cccn2cc(Cn3cc([N+](=O)[O-])cc(Cl)c3=O)[nH+]c12 ZINC000346640683 146115282 /nfs/dbraw/zinc/11/52/82/146115282.db2.gz HKXFMFHKSZYCBV-UHFFFAOYSA-N 1 1 318.720 2.414 20 5 DEBDMO Cc1nc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000348341266 146257827 /nfs/dbraw/zinc/25/78/27/146257827.db2.gz MLLMHYXBRNAZBR-AWEZNQCLSA-N 1 1 304.394 2.466 20 5 DEBDMO Cc1c(CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000358376918 147122814 /nfs/dbraw/zinc/12/28/14/147122814.db2.gz BIEKKSLEOJLTKP-NSHDSACASA-N 1 1 320.393 2.185 20 5 DEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000359374866 147317238 /nfs/dbraw/zinc/31/72/38/147317238.db2.gz YNVCHMNDMNGTAR-UKRRQHHQSA-N 1 1 319.405 2.469 20 5 DEBDMO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000370700913 148046321 /nfs/dbraw/zinc/04/63/21/148046321.db2.gz NYBBTNOGCYUBDQ-XJKSGUPXSA-N 1 1 306.362 2.365 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000370700913 148046322 /nfs/dbraw/zinc/04/63/22/148046322.db2.gz NYBBTNOGCYUBDQ-XJKSGUPXSA-N 1 1 306.362 2.365 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)N1CCN(C)CC1 ZINC000127554648 401739384 /nfs/dbraw/zinc/73/93/84/401739384.db2.gz UGHJSIFYCWLCPS-LSDHHAIUSA-N 1 1 320.437 2.190 20 5 DEBDMO COCCCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665347 401711632 /nfs/dbraw/zinc/71/16/32/401711632.db2.gz HCHQDGQPRGOTQK-ZDUSSCGKSA-N 1 1 308.382 2.293 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000119107173 401926427 /nfs/dbraw/zinc/92/64/27/401926427.db2.gz OAVHOHIDFASSCC-GHMZBOCLSA-N 1 1 309.391 2.213 20 5 DEBDMO NC(=O)C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119272864 401937704 /nfs/dbraw/zinc/93/77/04/401937704.db2.gz HLTKVSPHWSSNHD-SNVBAGLBSA-N 1 1 311.769 2.336 20 5 DEBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119272864 401937708 /nfs/dbraw/zinc/93/77/08/401937708.db2.gz HLTKVSPHWSSNHD-SNVBAGLBSA-N 1 1 311.769 2.336 20 5 DEBDMO CC[C@@]1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000135718346 401951307 /nfs/dbraw/zinc/95/13/07/401951307.db2.gz YEITVZKVDFYRJM-INIZCTEOSA-N 1 1 321.377 2.424 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000119477600 401953266 /nfs/dbraw/zinc/95/32/66/401953266.db2.gz XBHKZBPEKYOXLA-GFCCVEGCSA-N 1 1 307.394 2.292 20 5 DEBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000047966965 401991479 /nfs/dbraw/zinc/99/14/79/401991479.db2.gz CHAIMSWEEFPOMT-NSHDSACASA-N 1 1 304.350 2.201 20 5 DEBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000047978897 401991991 /nfs/dbraw/zinc/99/19/91/401991991.db2.gz ZMZLWBOPUJERPD-HNNXBMFYSA-N 1 1 317.389 2.333 20 5 DEBDMO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000120640684 401996525 /nfs/dbraw/zinc/99/65/25/401996525.db2.gz IEBFBVKYRNIUBC-SMDDNHRTSA-N 1 1 305.378 2.315 20 5 DEBDMO COC(=O)[C@@]1(C)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093813532 402021378 /nfs/dbraw/zinc/02/13/78/402021378.db2.gz NCBGOOJIPTTWLU-YERXGYGTSA-N 1 1 304.346 2.493 20 5 DEBDMO C[C@H](CO)[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122351178 402074323 /nfs/dbraw/zinc/07/43/23/402074323.db2.gz JXWKAIDUUABEKM-MRVPVSSYSA-N 1 1 303.156 2.170 20 5 DEBDMO Cn1cc(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000055899464 402087432 /nfs/dbraw/zinc/08/74/32/402087432.db2.gz HSMWEVLUUHBPTL-UHFFFAOYSA-N 1 1 304.350 2.229 20 5 DEBDMO CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000152732627 402105886 /nfs/dbraw/zinc/10/58/86/402105886.db2.gz ZDRFQJITCXCWHN-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO COCC[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000054355716 402066536 /nfs/dbraw/zinc/06/65/36/402066536.db2.gz GJYRXYAUAAYSEB-UHFFFAOYSA-N 1 1 320.292 2.283 20 5 DEBDMO COCC[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000054355716 402066539 /nfs/dbraw/zinc/06/65/39/402066539.db2.gz GJYRXYAUAAYSEB-UHFFFAOYSA-N 1 1 320.292 2.283 20 5 DEBDMO CC(C)[N@@H+](CCN1CCCC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000066434595 402133776 /nfs/dbraw/zinc/13/37/76/402133776.db2.gz DOCQHYLJANRSJL-UHFFFAOYSA-N 1 1 305.378 2.428 20 5 DEBDMO COC(=O)[C@H](C)C[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000107904814 402242959 /nfs/dbraw/zinc/24/29/59/402242959.db2.gz IXPBVBDTLPIKPD-SECBINFHSA-N 1 1 300.742 2.489 20 5 DEBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000107904814 402242961 /nfs/dbraw/zinc/24/29/61/402242961.db2.gz IXPBVBDTLPIKPD-SECBINFHSA-N 1 1 300.742 2.489 20 5 DEBDMO CC[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000125740578 402248079 /nfs/dbraw/zinc/24/80/79/402248079.db2.gz OGQWRAIZPUPEQC-GFCCVEGCSA-N 1 1 303.362 2.216 20 5 DEBDMO Cc1c(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000108496917 402254961 /nfs/dbraw/zinc/25/49/61/402254961.db2.gz NMOPAYIJOGZYSU-GFCCVEGCSA-N 1 1 306.366 2.367 20 5 DEBDMO CN(C(=O)C[N@H+](C)C[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000126056415 402262145 /nfs/dbraw/zinc/26/21/45/402262145.db2.gz IOPMHPNHBSKQKB-HNNXBMFYSA-N 1 1 321.377 2.059 20 5 DEBDMO CN(C(=O)C[N@@H+](C)C[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000126056415 402262147 /nfs/dbraw/zinc/26/21/47/402262147.db2.gz IOPMHPNHBSKQKB-HNNXBMFYSA-N 1 1 321.377 2.059 20 5 DEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000184702971 402293324 /nfs/dbraw/zinc/29/33/24/402293324.db2.gz JYQMRAJTMHXJBL-HUUCEWRRSA-N 1 1 319.405 2.231 20 5 DEBDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000160343219 402341612 /nfs/dbraw/zinc/34/16/12/402341612.db2.gz JIOMQFKIBIYXME-CQSZACIVSA-N 1 1 315.329 2.305 20 5 DEBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000160343219 402341617 /nfs/dbraw/zinc/34/16/17/402341617.db2.gz JIOMQFKIBIYXME-CQSZACIVSA-N 1 1 315.329 2.305 20 5 DEBDMO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000185594087 402363681 /nfs/dbraw/zinc/36/36/81/402363681.db2.gz CUSJQALYBCVISB-HZSPNIEDSA-N 1 1 308.378 2.455 20 5 DEBDMO O=[N+]([O-])c1cc(Cl)cnc1NCC[NH+]1CCSCC1 ZINC000227284612 402331188 /nfs/dbraw/zinc/33/11/88/402331188.db2.gz CTCIUISQPZDPSJ-UHFFFAOYSA-N 1 1 302.787 2.104 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000164543272 402464205 /nfs/dbraw/zinc/46/42/05/402464205.db2.gz BDLSFXGKBULMFL-CABCVRRESA-N 1 1 317.389 2.080 20 5 DEBDMO COc1cc(CN(C)CC[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1F ZINC000186791443 402465031 /nfs/dbraw/zinc/46/50/31/402465031.db2.gz LDROSCAGGSOSGW-UHFFFAOYSA-N 1 1 311.357 2.269 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000245577883 402472386 /nfs/dbraw/zinc/47/23/86/402472386.db2.gz GZKAOEMVBIRWFP-KGLIPLIRSA-N 1 1 323.418 2.117 20 5 DEBDMO CC[C@]1(CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000189658554 402550359 /nfs/dbraw/zinc/55/03/59/402550359.db2.gz BJRKWEGAFLGEIZ-MRXNPFEDSA-N 1 1 322.361 2.198 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+]2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000170774657 402523194 /nfs/dbraw/zinc/52/31/94/402523194.db2.gz FXQCJIYCJKFGFP-GFCCVEGCSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170774584 402523791 /nfs/dbraw/zinc/52/37/91/402523791.db2.gz TUBWOKWFPIDIQP-GFCCVEGCSA-N 1 1 307.350 2.034 20 5 DEBDMO Cc1c(CNC(=O)C[N@H+]2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000566448635 292242114 /nfs/dbraw/zinc/24/21/14/292242114.db2.gz BIQHJZKDLNILCO-UHFFFAOYSA-N 1 1 305.378 2.251 20 5 DEBDMO Cc1nc([C@@H]2CN([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n[nH]1 ZINC000173671937 402707533 /nfs/dbraw/zinc/70/75/33/402707533.db2.gz VDHGRADMXMABKV-HZMBPMFUSA-N 1 1 317.349 2.156 20 5 DEBDMO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000192171550 402716010 /nfs/dbraw/zinc/71/60/10/402716010.db2.gz OTZXKOJFUJYLJO-NSHDSACASA-N 1 1 309.391 2.361 20 5 DEBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000192171550 402716013 /nfs/dbraw/zinc/71/60/13/402716013.db2.gz OTZXKOJFUJYLJO-NSHDSACASA-N 1 1 309.391 2.361 20 5 DEBDMO C[C@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000254916125 402672444 /nfs/dbraw/zinc/67/24/44/402672444.db2.gz KDTBNCMTKMFZCI-OJIASSBASA-N 1 1 303.362 2.207 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000255914110 402699261 /nfs/dbraw/zinc/69/92/61/402699261.db2.gz OTMOBWHHPVDKQL-AFNCTOJWSA-N 1 1 303.362 2.066 20 5 DEBDMO C[C@@H]1CN(CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000192762191 402748422 /nfs/dbraw/zinc/74/84/22/402748422.db2.gz JXRRPJSIXQFZFK-CQSZACIVSA-N 1 1 319.405 2.280 20 5 DEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183596427 402779923 /nfs/dbraw/zinc/77/99/23/402779923.db2.gz WMHUXZKAEJWTLD-LBPRGKRZSA-N 1 1 321.381 2.328 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)C1 ZINC000263721738 402795197 /nfs/dbraw/zinc/79/51/97/402795197.db2.gz OTTAWBXGUTYBOL-LLVKDONJSA-N 1 1 307.350 2.274 20 5 DEBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000175998711 402846837 /nfs/dbraw/zinc/84/68/37/402846837.db2.gz WCEIUBJNLJDRFK-GXTWGEPZSA-N 1 1 320.393 2.358 20 5 DEBDMO CC(C)[N@@H+](C)CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272466279 402940726 /nfs/dbraw/zinc/94/07/26/402940726.db2.gz LLAYDBRGPFHTPB-UHFFFAOYSA-N 1 1 313.785 2.247 20 5 DEBDMO C[C@H](CCCO)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272501187 402945146 /nfs/dbraw/zinc/94/51/46/402945146.db2.gz GVSQMVSASPRIAO-IUODEOHRSA-N 1 1 318.377 2.168 20 5 DEBDMO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000265769516 402947965 /nfs/dbraw/zinc/94/79/65/402947965.db2.gz HZAPDOPECOINLF-GFCCVEGCSA-N 1 1 319.405 2.471 20 5 DEBDMO CO[C@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000279207725 402916294 /nfs/dbraw/zinc/91/62/94/402916294.db2.gz BKUBYUITEPVIKF-MRXNPFEDSA-N 1 1 322.361 2.462 20 5 DEBDMO CO[C@]1(C)CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000279207725 402916297 /nfs/dbraw/zinc/91/62/97/402916297.db2.gz BKUBYUITEPVIKF-MRXNPFEDSA-N 1 1 322.361 2.462 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCCCO1 ZINC000266745957 402988290 /nfs/dbraw/zinc/98/82/90/402988290.db2.gz RFXPUQHSXKYCMU-SWLSCSKDSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000266745957 402988291 /nfs/dbraw/zinc/98/82/91/402988291.db2.gz RFXPUQHSXKYCMU-SWLSCSKDSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H](CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000273566054 403015846 /nfs/dbraw/zinc/01/58/46/403015846.db2.gz XDICYPVVQUGRLT-LBPRGKRZSA-N 1 1 321.377 2.295 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000275495003 403103460 /nfs/dbraw/zinc/10/34/60/403103460.db2.gz BWTJKPCUULOFFY-SWLSCSKDSA-N 1 1 318.377 2.461 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[NH+]1CCSCC1 ZINC000275545313 403104094 /nfs/dbraw/zinc/10/40/94/403104094.db2.gz RBDBAYLTJCYCTL-UHFFFAOYSA-N 1 1 324.406 2.074 20 5 DEBDMO CC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276305921 403162454 /nfs/dbraw/zinc/16/24/54/403162454.db2.gz KYYVDXFODFJYCR-UHFFFAOYSA-N 1 1 309.341 2.177 20 5 DEBDMO CC[N@H+](C[C@H]1CCCO1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000270759287 403221265 /nfs/dbraw/zinc/22/12/65/403221265.db2.gz XCWVETGTQFUHMJ-IUODEOHRSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000270759287 403221267 /nfs/dbraw/zinc/22/12/67/403221267.db2.gz XCWVETGTQFUHMJ-IUODEOHRSA-N 1 1 321.377 2.423 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000283846289 403227914 /nfs/dbraw/zinc/22/79/14/403227914.db2.gz GWKWCDJWNOEEMP-NSHDSACASA-N 1 1 321.377 2.206 20 5 DEBDMO C[N@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000270887119 403236004 /nfs/dbraw/zinc/23/60/04/403236004.db2.gz GRWGZVUQGWTEJZ-RMKNXTFCSA-N 1 1 303.362 2.161 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000284145663 403249240 /nfs/dbraw/zinc/24/92/40/403249240.db2.gz PBFAVHOBXNHPQL-GFCCVEGCSA-N 1 1 309.322 2.240 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000284145663 403249243 /nfs/dbraw/zinc/24/92/43/403249243.db2.gz PBFAVHOBXNHPQL-GFCCVEGCSA-N 1 1 309.322 2.240 20 5 DEBDMO C[N@H+](CCCn1ccnc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284262064 403258269 /nfs/dbraw/zinc/25/82/69/403258269.db2.gz WYSLFWJYVPGXNR-UHFFFAOYSA-N 1 1 319.321 2.222 20 5 DEBDMO C[N@@H+](CCCn1ccnc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284262064 403258271 /nfs/dbraw/zinc/25/82/71/403258271.db2.gz WYSLFWJYVPGXNR-UHFFFAOYSA-N 1 1 319.321 2.222 20 5 DEBDMO CCCCOC[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285383127 403284747 /nfs/dbraw/zinc/28/47/47/403284747.db2.gz RUWVEJMXWCIJHN-OAHLLOKOSA-N 1 1 310.394 2.247 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000330620819 403291272 /nfs/dbraw/zinc/29/12/72/403291272.db2.gz AQWNVEKSVQNJIY-VXGBXAGGSA-N 1 1 305.378 2.322 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000330620819 403291277 /nfs/dbraw/zinc/29/12/77/403291277.db2.gz AQWNVEKSVQNJIY-VXGBXAGGSA-N 1 1 305.378 2.322 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292257403 403336107 /nfs/dbraw/zinc/33/61/07/403336107.db2.gz PIEVSWIXMLLRNI-BBOMDTFKSA-N 1 1 315.373 2.162 20 5 DEBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000331285262 403369518 /nfs/dbraw/zinc/36/95/18/403369518.db2.gz LKYLFDWISSQNJA-XJKCOSOUSA-N 1 1 308.378 2.455 20 5 DEBDMO Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000298505678 403399794 /nfs/dbraw/zinc/39/97/94/403399794.db2.gz PQQJMKPBXIKDQP-KBPBESRZSA-N 1 1 303.362 2.260 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1C ZINC000342934999 403402803 /nfs/dbraw/zinc/40/28/03/403402803.db2.gz QFOZEVVXEFGRLF-QWRGUYRKSA-N 1 1 316.361 2.289 20 5 DEBDMO CC(C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000286184118 403468493 /nfs/dbraw/zinc/46/84/93/403468493.db2.gz QLANFQRBJUCHPP-OAHLLOKOSA-N 1 1 324.400 2.418 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000332051925 403470662 /nfs/dbraw/zinc/47/06/62/403470662.db2.gz YARYOSAJRLYRBU-MNOVXSKESA-N 1 1 316.361 2.241 20 5 DEBDMO Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286425056 403523382 /nfs/dbraw/zinc/52/33/82/403523382.db2.gz RKBMNXLJKDFMLJ-ZFWWWQNUSA-N 1 1 305.378 2.203 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000286445257 403528119 /nfs/dbraw/zinc/52/81/19/403528119.db2.gz MRQWNLCAQUJAFO-ZDUSSCGKSA-N 1 1 323.368 2.283 20 5 DEBDMO CC[N@H+](CCOC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000299141016 403533200 /nfs/dbraw/zinc/53/32/00/403533200.db2.gz SUPVRZVMQVMZMN-UHFFFAOYSA-N 1 1 315.757 2.155 20 5 DEBDMO CC[N@@H+](CCOC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000299141016 403533204 /nfs/dbraw/zinc/53/32/04/403533204.db2.gz SUPVRZVMQVMZMN-UHFFFAOYSA-N 1 1 315.757 2.155 20 5 DEBDMO COCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332203354 403513550 /nfs/dbraw/zinc/51/35/50/403513550.db2.gz IETQCIPMRRZYSK-UHFFFAOYSA-N 1 1 304.350 2.330 20 5 DEBDMO CC[N@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C1 ZINC000343272666 403521682 /nfs/dbraw/zinc/52/16/82/403521682.db2.gz DZQSIYKCTOPXKQ-NSHDSACASA-N 1 1 317.349 2.175 20 5 DEBDMO C[C@@H](CNc1c([N+](=O)[O-])ncn1C)[N@@H+](C)Cc1ccccc1 ZINC000347267803 403643294 /nfs/dbraw/zinc/64/32/94/403643294.db2.gz FCAJJSWWKCWVSK-LBPRGKRZSA-N 1 1 303.366 2.261 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCN1CCOCC1 ZINC000347332734 403668276 /nfs/dbraw/zinc/66/82/76/403668276.db2.gz HGRKLGRGQNAYCA-QINSGFPZSA-N 1 1 319.405 2.262 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC2CCC1CC2 ZINC000368617556 403811907 /nfs/dbraw/zinc/81/19/07/403811907.db2.gz ZTGFHDCUGFSOCR-RUXDESIVSA-N 1 1 306.362 2.209 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(C)(C)CO ZINC000295148819 403775756 /nfs/dbraw/zinc/77/57/56/403775756.db2.gz CWNLFKUIXWFZSQ-UHFFFAOYSA-N 1 1 323.393 2.182 20 5 DEBDMO CC(C)C[C@H]1CCCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304335782 403782308 /nfs/dbraw/zinc/78/23/08/403782308.db2.gz WVLWEVMESFMSFK-ZBFHGGJFSA-N 1 1 324.425 2.443 20 5 DEBDMO CCC[C@@]1(CO)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000288912101 403791657 /nfs/dbraw/zinc/79/16/57/403791657.db2.gz UFOSPRLKUADWOF-JKSUJKDBSA-N 1 1 308.378 2.113 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000411394380 403841641 /nfs/dbraw/zinc/84/16/41/403841641.db2.gz GUPDGZSBKUXRMY-DOMZBBRYSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000411397735 403843310 /nfs/dbraw/zinc/84/33/10/403843310.db2.gz MUATYWZQQLIWGG-SWLSCSKDSA-N 1 1 321.377 2.016 20 5 DEBDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1COC1 ZINC000295332547 403862730 /nfs/dbraw/zinc/86/27/30/403862730.db2.gz HLGNZMKFHUMHSJ-UHFFFAOYSA-N 1 1 307.350 2.033 20 5 DEBDMO O=C(CC[N@H+]1CCC[C@]12CCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411763809 403961134 /nfs/dbraw/zinc/96/11/34/403961134.db2.gz CTINHMSYHLHQHW-MRXNPFEDSA-N 1 1 319.361 2.178 20 5 DEBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+](C2CC2)C1 ZINC000295401735 403905110 /nfs/dbraw/zinc/90/51/10/403905110.db2.gz RNUFXJCSQGYORB-LLVKDONJSA-N 1 1 321.352 2.290 20 5 DEBDMO COCCC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1F ZINC000336849235 403923267 /nfs/dbraw/zinc/92/32/67/403923267.db2.gz QTACHCXRDWSHLF-UHFFFAOYSA-N 1 1 300.330 2.219 20 5 DEBDMO COCCC[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1F ZINC000336849235 403923273 /nfs/dbraw/zinc/92/32/73/403923273.db2.gz QTACHCXRDWSHLF-UHFFFAOYSA-N 1 1 300.330 2.219 20 5 DEBDMO C[C@@H]1C[C@@H](CO)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000344152436 403942104 /nfs/dbraw/zinc/94/21/04/403942104.db2.gz UAZLAWFIIZSAHA-MNOVXSKESA-N 1 1 304.350 2.064 20 5 DEBDMO C[C@@H]1C[C@@H](CO)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000344152436 403942109 /nfs/dbraw/zinc/94/21/09/403942109.db2.gz UAZLAWFIIZSAHA-MNOVXSKESA-N 1 1 304.350 2.064 20 5 DEBDMO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000344152439 403942200 /nfs/dbraw/zinc/94/22/00/403942200.db2.gz UAZLAWFIIZSAHA-QWRGUYRKSA-N 1 1 304.350 2.064 20 5 DEBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000344152439 403942206 /nfs/dbraw/zinc/94/22/06/403942206.db2.gz UAZLAWFIIZSAHA-QWRGUYRKSA-N 1 1 304.350 2.064 20 5 DEBDMO C[C@@H](C(=O)N1CC[N@@H+](C)CC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000347916599 403949661 /nfs/dbraw/zinc/94/96/61/403949661.db2.gz TVXRYYHXWMBFAU-LLVKDONJSA-N 1 1 323.368 2.390 20 5 DEBDMO CCCNC(=O)CCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000411745567 403956919 /nfs/dbraw/zinc/95/69/19/403956919.db2.gz NAHLZDOHRYNKHU-UHFFFAOYSA-N 1 1 321.377 2.096 20 5 DEBDMO CCCNC(=O)CCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000411745567 403956925 /nfs/dbraw/zinc/95/69/25/403956925.db2.gz NAHLZDOHRYNKHU-UHFFFAOYSA-N 1 1 321.377 2.096 20 5 DEBDMO COC(=O)[C@]1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000337418876 404010578 /nfs/dbraw/zinc/01/05/78/404010578.db2.gz AKCZDECAXGGYLA-BLLLJJGKSA-N 1 1 322.361 2.105 20 5 DEBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC[C@H]1CCCO1 ZINC000337470360 404046703 /nfs/dbraw/zinc/04/67/03/404046703.db2.gz OZOQZXUNQUUEHG-CYBMUJFWSA-N 1 1 321.377 2.424 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@H](c3nnc(C)[nH]3)C2)cc1[N+](=O)[O-] ZINC000412025350 404062903 /nfs/dbraw/zinc/06/29/03/404062903.db2.gz HAYOGYRXSQKHGT-LBPRGKRZSA-N 1 1 317.349 2.019 20 5 DEBDMO COc1ccc(C[N@@H+]2CC[C@H](c3nc(C)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000412025350 404062909 /nfs/dbraw/zinc/06/29/09/404062909.db2.gz HAYOGYRXSQKHGT-LBPRGKRZSA-N 1 1 317.349 2.019 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@H](c3nc(C)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000412025350 404062915 /nfs/dbraw/zinc/06/29/15/404062915.db2.gz HAYOGYRXSQKHGT-LBPRGKRZSA-N 1 1 317.349 2.019 20 5 DEBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352041721 404105874 /nfs/dbraw/zinc/10/58/74/404105874.db2.gz BGRBJKHYGDZADO-GFCCVEGCSA-N 1 1 305.378 2.035 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352041721 404105878 /nfs/dbraw/zinc/10/58/78/404105878.db2.gz BGRBJKHYGDZADO-GFCCVEGCSA-N 1 1 305.378 2.035 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000412126600 404147392 /nfs/dbraw/zinc/14/73/92/404147392.db2.gz FBSCNKLNJGTCSK-RUAUBTSSSA-N 1 1 317.389 2.297 20 5 DEBDMO C[N@@H+](C[C@H](O)COc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000290508064 404199277 /nfs/dbraw/zinc/19/92/77/404199277.db2.gz BEPRCDQLLUMSTH-NSHDSACASA-N 1 1 300.742 2.082 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000369834830 404244591 /nfs/dbraw/zinc/24/45/91/404244591.db2.gz LWRBNYRLCQPGFF-ZDUSSCGKSA-N 1 1 316.361 2.364 20 5 DEBDMO C[C@H](NC(=O)N1CC[N@@H+](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341912018 404250934 /nfs/dbraw/zinc/25/09/34/404250934.db2.gz AGSPSAIRHIZIBI-STQMWFEESA-N 1 1 320.393 2.391 20 5 DEBDMO COCC[C@]1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCOC1 ZINC000352414301 404353441 /nfs/dbraw/zinc/35/34/41/404353441.db2.gz SVLOUXXJVUZWRA-AWEZNQCLSA-N 1 1 316.304 2.158 20 5 DEBDMO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000356321034 404447520 /nfs/dbraw/zinc/44/75/20/404447520.db2.gz FWQPVPOUIBTOQQ-VXGBXAGGSA-N 1 1 321.377 2.293 20 5 DEBDMO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000356321034 404447525 /nfs/dbraw/zinc/44/75/25/404447525.db2.gz FWQPVPOUIBTOQQ-VXGBXAGGSA-N 1 1 321.377 2.293 20 5 DEBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345060599 404523725 /nfs/dbraw/zinc/52/37/25/404523725.db2.gz HDOGYPBXDNMVPO-QWHCGFSZSA-N 1 1 319.405 2.423 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345060599 404523731 /nfs/dbraw/zinc/52/37/31/404523731.db2.gz HDOGYPBXDNMVPO-QWHCGFSZSA-N 1 1 319.405 2.423 20 5 DEBDMO CCC[N@@H+](C)CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000352730314 404581222 /nfs/dbraw/zinc/58/12/22/404581222.db2.gz QZHSFKYHCSDVAY-UHFFFAOYSA-N 1 1 307.394 2.376 20 5 DEBDMO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H](C)[N@@H+]1C ZINC000338796435 404552424 /nfs/dbraw/zinc/55/24/24/404552424.db2.gz SGIWUYWXCAFARX-PHIMTYICSA-N 1 1 317.349 2.174 20 5 DEBDMO C[C@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000351618476 404674158 /nfs/dbraw/zinc/67/41/58/404674158.db2.gz HKJPIXSGVAQVHM-JOYOIKCWSA-N 1 1 310.329 2.338 20 5 DEBDMO C[C@H]1C[N@@H+](C)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000330533226 404681680 /nfs/dbraw/zinc/68/16/80/404681680.db2.gz UDRYPJGLZROVAZ-LBPRGKRZSA-N 1 1 316.361 2.386 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000356762623 404683502 /nfs/dbraw/zinc/68/35/02/404683502.db2.gz IVRAJZFSJGZVRP-ZDUSSCGKSA-N 1 1 322.409 2.242 20 5 DEBDMO COC(C)(C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353395449 404821515 /nfs/dbraw/zinc/82/15/15/404821515.db2.gz PJBIGGRZOWSDIJ-CQSZACIVSA-N 1 1 318.377 2.432 20 5 DEBDMO COC[C@@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000451199664 404899119 /nfs/dbraw/zinc/89/91/19/404899119.db2.gz FHIBTWTYVVLWOQ-HNNXBMFYSA-N 1 1 304.350 2.330 20 5 DEBDMO COC[C@@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000451199664 404899121 /nfs/dbraw/zinc/89/91/21/404899121.db2.gz FHIBTWTYVVLWOQ-HNNXBMFYSA-N 1 1 304.350 2.330 20 5 DEBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000353497820 404847946 /nfs/dbraw/zinc/84/79/46/404847946.db2.gz SZPXNLZZTHPROR-GFCCVEGCSA-N 1 1 321.377 2.077 20 5 DEBDMO CS[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000451329878 404957181 /nfs/dbraw/zinc/95/71/81/404957181.db2.gz YKJATWRBWBFGRA-ZDUSSCGKSA-N 1 1 309.391 2.361 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC000361211501 404975644 /nfs/dbraw/zinc/97/56/44/404975644.db2.gz PIDIVHWFWRGRGP-LBPRGKRZSA-N 1 1 320.393 2.050 20 5 DEBDMO Cc1nn(C)c(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000408168122 405129051 /nfs/dbraw/zinc/12/90/51/405129051.db2.gz DWNXFSAHRZOSEM-SCRDCRAPSA-N 1 1 321.425 2.478 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000408070926 405104387 /nfs/dbraw/zinc/10/43/87/405104387.db2.gz IAKNYJWSQIAPDW-WDEREUQCSA-N 1 1 316.361 2.241 20 5 DEBDMO COC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000452032810 405132593 /nfs/dbraw/zinc/13/25/93/405132593.db2.gz BKVNJDPRMMDLGR-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO COC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000452032810 405132597 /nfs/dbraw/zinc/13/25/97/405132597.db2.gz BKVNJDPRMMDLGR-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408073050 405105794 /nfs/dbraw/zinc/10/57/94/405105794.db2.gz SQLAWLGZQYGJSM-WDEREUQCSA-N 1 1 316.361 2.241 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408073050 405105797 /nfs/dbraw/zinc/10/57/97/405105797.db2.gz SQLAWLGZQYGJSM-WDEREUQCSA-N 1 1 316.361 2.241 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000361561947 405132028 /nfs/dbraw/zinc/13/20/28/405132028.db2.gz JPLDIIGIUBFDOB-UHFFFAOYSA-N 1 1 314.345 2.044 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000361561947 405132032 /nfs/dbraw/zinc/13/20/32/405132032.db2.gz JPLDIIGIUBFDOB-UHFFFAOYSA-N 1 1 314.345 2.044 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451984311 405117908 /nfs/dbraw/zinc/11/79/08/405117908.db2.gz DAPXXYAHMOKPRL-OLZOCXBDSA-N 1 1 320.393 2.391 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451984311 405117913 /nfs/dbraw/zinc/11/79/13/405117913.db2.gz DAPXXYAHMOKPRL-OLZOCXBDSA-N 1 1 320.393 2.391 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000408277196 405159879 /nfs/dbraw/zinc/15/98/79/405159879.db2.gz NQFLMLNSDIZLLX-IINYFYTJSA-N 1 1 322.340 2.292 20 5 DEBDMO Cc1c(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000420324171 405319571 /nfs/dbraw/zinc/31/95/71/405319571.db2.gz GVWLALQEYRYBDA-HNNXBMFYSA-N 1 1 319.405 2.091 20 5 DEBDMO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000425933125 405331367 /nfs/dbraw/zinc/33/13/67/405331367.db2.gz TVTBYZDFWDEJTH-HNNXBMFYSA-N 1 1 305.378 2.080 20 5 DEBDMO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000425933125 405331370 /nfs/dbraw/zinc/33/13/70/405331370.db2.gz TVTBYZDFWDEJTH-HNNXBMFYSA-N 1 1 305.378 2.080 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1CCO ZINC000426252957 405347532 /nfs/dbraw/zinc/34/75/32/405347532.db2.gz OWZGNUGTDVZULX-ZDUSSCGKSA-N 1 1 321.377 2.079 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc4nccn43)nc2c1 ZINC000446835581 405394299 /nfs/dbraw/zinc/39/42/99/405394299.db2.gz PKQHWWGCDRZRNV-UHFFFAOYSA-N 1 1 322.328 2.409 20 5 DEBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000429777152 405449243 /nfs/dbraw/zinc/44/92/43/405449243.db2.gz VCMUGTHPFJTLLI-KGLIPLIRSA-N 1 1 308.378 2.457 20 5 DEBDMO COc1cc(C[NH2+]Cc2ccnc(C)c2)c([N+](=O)[O-])cc1O ZINC000449400995 405548159 /nfs/dbraw/zinc/54/81/59/405548159.db2.gz FEMFGBBZDMXKJG-UHFFFAOYSA-N 1 1 303.318 2.302 20 5 DEBDMO COc1cc(C[N@@H+](C)CC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000449412458 405550480 /nfs/dbraw/zinc/55/04/80/405550480.db2.gz CUQKPIZDBQFGDB-UHFFFAOYSA-N 1 1 312.366 2.062 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000421707501 405601700 /nfs/dbraw/zinc/60/17/00/405601700.db2.gz XRTAGJYVONLHTJ-CYBMUJFWSA-N 1 1 323.418 2.240 20 5 DEBDMO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000494209658 405662564 /nfs/dbraw/zinc/66/25/64/405662564.db2.gz TYJWFFBLXCFRIA-MEBBXXQBSA-N 1 1 318.333 2.302 20 5 DEBDMO COCC[N@@H+](C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450302249 405824544 /nfs/dbraw/zinc/82/45/44/405824544.db2.gz HFSIECCXBRZODS-UHFFFAOYSA-N 1 1 304.350 2.133 20 5 DEBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000530867864 405873966 /nfs/dbraw/zinc/87/39/66/405873966.db2.gz YBYXXDCRCLPGMF-UHFFFAOYSA-N 1 1 318.333 2.256 20 5 DEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[NH+](C(C)C)C1 ZINC000457717831 405967618 /nfs/dbraw/zinc/96/76/18/405967618.db2.gz JGZDSKFSRRKNRI-CQSZACIVSA-N 1 1 319.405 2.372 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000487145250 406208988 /nfs/dbraw/zinc/20/89/88/406208988.db2.gz BBYIOIIXPIZQOL-SNVBAGLBSA-N 1 1 309.391 2.093 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000487145250 406208993 /nfs/dbraw/zinc/20/89/93/406208993.db2.gz BBYIOIIXPIZQOL-SNVBAGLBSA-N 1 1 309.391 2.093 20 5 DEBDMO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569884760 406315786 /nfs/dbraw/zinc/31/57/86/406315786.db2.gz YVBZGOFZEWZPQO-BFHYXJOUSA-N 1 1 308.378 2.455 20 5 DEBDMO CN1CCC[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000521545775 406352577 /nfs/dbraw/zinc/35/25/77/406352577.db2.gz KSFGHGCLERDHAU-GOEBONIOSA-N 1 1 317.389 2.395 20 5 DEBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000547797852 406448032 /nfs/dbraw/zinc/44/80/32/406448032.db2.gz PHARGWNUXUTZPZ-MRXNPFEDSA-N 1 1 319.405 2.470 20 5 DEBDMO CCOc1cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000491611950 406631576 /nfs/dbraw/zinc/63/15/76/406631576.db2.gz FFZKXGBERQODEN-GUTXKFCHSA-N 1 1 306.362 2.196 20 5 DEBDMO Cc1cncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000527190607 406593557 /nfs/dbraw/zinc/59/35/57/406593557.db2.gz GJEDIRQMKOAFTK-UHFFFAOYSA-N 1 1 313.361 2.015 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000491925866 406779507 /nfs/dbraw/zinc/77/95/07/406779507.db2.gz OZSMOORVSMIINK-KTRBRXNASA-N 1 1 303.362 2.066 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000491913867 406776362 /nfs/dbraw/zinc/77/63/62/406776362.db2.gz KJLIABQPOPFEDV-YBGXSUTOSA-N 1 1 321.352 2.346 20 5 DEBDMO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000415117971 228634543 /nfs/dbraw/zinc/63/45/43/228634543.db2.gz DMIBAXKNYCCBBI-RDJZCZTQSA-N 1 1 319.405 2.313 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000867113617 649856635 /nfs/dbraw/zinc/85/66/35/649856635.db2.gz UVORWEKKIDBITR-NWDGAFQWSA-N 1 1 323.368 2.218 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000443505631 269138827 /nfs/dbraw/zinc/13/88/27/269138827.db2.gz AXQLKHJYCAALGX-QWRGUYRKSA-N 1 1 317.349 2.174 20 5 DEBDMO 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2.246 20 5 DEBDMO CC(C)[C@H]1CN(C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000330985320 527851781 /nfs/dbraw/zinc/85/17/81/527851781.db2.gz LDMKSVVJIUEOPJ-MRXNPFEDSA-N 1 1 307.394 2.246 20 5 DEBDMO CC(C)[C@H]1CN(C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000330985320 527851784 /nfs/dbraw/zinc/85/17/84/527851784.db2.gz LDMKSVVJIUEOPJ-MRXNPFEDSA-N 1 1 307.394 2.246 20 5 DEBDMO CCOc1cccc(NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000188492132 528673899 /nfs/dbraw/zinc/67/38/99/528673899.db2.gz WPOFECQFSXEMOR-UHFFFAOYSA-N 1 1 309.366 2.128 20 5 DEBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCCO1 ZINC000444599515 528888233 /nfs/dbraw/zinc/88/82/33/528888233.db2.gz APTYDXSSEHVROV-LBPRGKRZSA-N 1 1 304.350 2.472 20 5 DEBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCCO1 ZINC000444599515 528888238 /nfs/dbraw/zinc/88/82/38/528888238.db2.gz APTYDXSSEHVROV-LBPRGKRZSA-N 1 1 304.350 2.472 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000299390798 529013855 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20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000456374839 536134904 /nfs/dbraw/zinc/13/49/04/536134904.db2.gz JKCFNUBJQNVLSV-HNNXBMFYSA-N 1 1 319.405 2.388 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000359536709 536144007 /nfs/dbraw/zinc/14/40/07/536144007.db2.gz XRRWLCZFKKZWBJ-CQSZACIVSA-N 1 1 321.425 2.288 20 5 DEBDMO C[N@H+]1CCCC12CCN(C(=O)c1csc([N+](=O)[O-])c1)CC2 ZINC000375204870 536352445 /nfs/dbraw/zinc/35/24/45/536352445.db2.gz AYFWNRYELLENOG-UHFFFAOYSA-N 1 1 309.391 2.357 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000458213084 536383152 /nfs/dbraw/zinc/38/31/52/536383152.db2.gz MGAQAFZMUHFWHD-OAHLLOKOSA-N 1 1 319.405 2.376 20 5 DEBDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000451571793 536683922 /nfs/dbraw/zinc/68/39/22/536683922.db2.gz PZFKIQQPKIJSBU-IUODEOHRSA-N 1 1 321.377 2.199 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000451571793 536683931 /nfs/dbraw/zinc/68/39/31/536683931.db2.gz PZFKIQQPKIJSBU-IUODEOHRSA-N 1 1 321.377 2.199 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000247270486 536950892 /nfs/dbraw/zinc/95/08/92/536950892.db2.gz FMOLJEYMQQWVIX-BXUZGUMPSA-N 1 1 321.377 2.016 20 5 DEBDMO CC1(C)[C@H](NCCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925598694 625436178 /nfs/dbraw/zinc/43/61/78/625436178.db2.gz SSRLKQOMKMYAFN-OWCLPIDISA-N 1 1 319.405 2.340 20 5 DEBDMO C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000892112111 624784802 /nfs/dbraw/zinc/78/48/02/624784802.db2.gz PKJHTACGNSFBCL-CHWSQXEVSA-N 1 1 320.393 2.297 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000892145823 624795867 /nfs/dbraw/zinc/79/58/67/624795867.db2.gz SZDXZHZCEVZORA-AAEUAGOBSA-N 1 1 322.361 2.167 20 5 DEBDMO COc1ccc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)nc1 ZINC000934348334 624852004 /nfs/dbraw/zinc/85/20/04/624852004.db2.gz DXNUQCOGYOYQIP-AWEZNQCLSA-N 1 1 317.349 2.032 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000892300352 625034542 /nfs/dbraw/zinc/03/45/42/625034542.db2.gz LYYBOUPJIINOTM-JTQLQIEISA-N 1 1 303.322 2.106 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000893194948 625219083 /nfs/dbraw/zinc/21/90/83/625219083.db2.gz OHXQNIZCQXZWBG-GXTWGEPZSA-N 1 1 315.377 2.261 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)OCCC[N@H+]1CCO[C@@H](C)C1 ZINC000893387087 633228446 /nfs/dbraw/zinc/22/84/46/633228446.db2.gz ADMSGVCCTHYQBZ-ZDUSSCGKSA-N 1 1 322.361 2.171 20 5 DEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000734446786 633372827 /nfs/dbraw/zinc/37/28/27/633372827.db2.gz FWRQOTJGONQGGF-LLVKDONJSA-N 1 1 309.341 2.148 20 5 DEBDMO C/C(=C\C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000836848970 650136316 /nfs/dbraw/zinc/13/63/16/650136316.db2.gz MTAKLEGSAUHQMB-SUBBQANTSA-N 1 1 315.373 2.161 20 5 DEBDMO CC(C)([NH2+]Cc1cnc2n1CCOC2)c1ccccc1[N+](=O)[O-] ZINC000922143683 635893648 /nfs/dbraw/zinc/89/36/48/635893648.db2.gz NKFYKXATMMJCGT-UHFFFAOYSA-N 1 1 316.361 2.346 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894255464 636578746 /nfs/dbraw/zinc/57/87/46/636578746.db2.gz ZEOILRNAXDIWDA-JQWIXIFHSA-N 1 1 310.350 2.308 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)[C@@H](CO)CC(C)C)c1[N+](=O)[O-] ZINC000894495982 637073286 /nfs/dbraw/zinc/07/32/86/637073286.db2.gz NXQQBAAZSXTZPW-GFCCVEGCSA-N 1 1 312.366 2.148 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500904 637217341 /nfs/dbraw/zinc/21/73/41/637217341.db2.gz ROTZEGKHUXADEP-STQMWFEESA-N 1 1 307.394 2.410 20 5 DEBDMO C[C@H]1[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000928454060 637290569 /nfs/dbraw/zinc/29/05/69/637290569.db2.gz KENGTONQXSFSSR-JOYOIKCWSA-N 1 1 303.318 2.163 20 5 DEBDMO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928454473 637291584 /nfs/dbraw/zinc/29/15/84/637291584.db2.gz NGRNGMFUOOLPIZ-ONGXEEELSA-N 1 1 309.391 2.139 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC000895367704 637975229 /nfs/dbraw/zinc/97/52/29/637975229.db2.gz XLBQTDKMDPMPTG-INIZCTEOSA-N 1 1 322.361 2.046 20 5 DEBDMO COc1c(O)ccc(C[N@H+](C)CC2=CCSC2)c1[N+](=O)[O-] ZINC000895465866 638039743 /nfs/dbraw/zinc/03/97/43/638039743.db2.gz MHZWWTFGLXYELT-UHFFFAOYSA-N 1 1 310.375 2.414 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)CC2=CCSC2)c1[N+](=O)[O-] ZINC000895465866 638039750 /nfs/dbraw/zinc/03/97/50/638039750.db2.gz MHZWWTFGLXYELT-UHFFFAOYSA-N 1 1 310.375 2.414 20 5 DEBDMO Cc1cnc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c([N+](=O)[O-])c1 ZINC000895565725 638091401 /nfs/dbraw/zinc/09/14/01/638091401.db2.gz CSJVICKKBIVADY-DGCLKSJQSA-N 1 1 308.407 2.290 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC4(C3)CCOCC4)c2c1 ZINC000743405920 638144211 /nfs/dbraw/zinc/14/42/11/638144211.db2.gz RPQJEJRBNPMKMI-UHFFFAOYSA-N 1 1 316.361 2.405 20 5 DEBDMO Cc1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cnc1F ZINC000895753122 638181048 /nfs/dbraw/zinc/18/10/48/638181048.db2.gz NJIDTOOKOWAPNY-MRXNPFEDSA-N 1 1 319.336 2.435 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895982635 638296048 /nfs/dbraw/zinc/29/60/48/638296048.db2.gz QINZDWDCSYYOHB-OIOXUXFSSA-N 1 1 324.402 2.163 20 5 DEBDMO C[C@@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000896510471 638545719 /nfs/dbraw/zinc/54/57/19/638545719.db2.gz QKQSMLWCXFQJJK-CYBMUJFWSA-N 1 1 321.421 2.481 20 5 DEBDMO C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000896612828 638603681 /nfs/dbraw/zinc/60/36/81/638603681.db2.gz PHMXFNBJLKTWTN-CHWSQXEVSA-N 1 1 320.393 2.297 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000750075392 638709207 /nfs/dbraw/zinc/70/92/07/638709207.db2.gz XZZHQZLFBJLNIU-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC000750105617 638713632 /nfs/dbraw/zinc/71/36/32/638713632.db2.gz KDSSACKOXLRHAO-QGZVFWFLSA-N 1 1 314.341 2.392 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC000750105617 638713635 /nfs/dbraw/zinc/71/36/35/638713635.db2.gz KDSSACKOXLRHAO-QGZVFWFLSA-N 1 1 314.341 2.392 20 5 DEBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000755255361 639534797 /nfs/dbraw/zinc/53/47/97/639534797.db2.gz BGSNNRFHDRFLQC-GAJOTYCWSA-N 1 1 303.362 2.209 20 5 DEBDMO CO[C@@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764974008 640720507 /nfs/dbraw/zinc/72/05/07/640720507.db2.gz UPOSCUSEXABKFU-CYBMUJFWSA-N 1 1 304.350 2.321 20 5 DEBDMO CO[C@@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764974008 640720512 /nfs/dbraw/zinc/72/05/12/640720512.db2.gz UPOSCUSEXABKFU-CYBMUJFWSA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000767604406 641000010 /nfs/dbraw/zinc/00/00/10/641000010.db2.gz RBAAKTJPUOIXSM-UHFFFAOYSA-N 1 1 307.281 2.486 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000771893880 641567169 /nfs/dbraw/zinc/56/71/69/641567169.db2.gz RNLWBKYNOHPELS-UHFFFAOYSA-N 1 1 321.358 2.435 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000776279103 642152675 /nfs/dbraw/zinc/15/26/75/642152675.db2.gz VOXNUIBTJJKKJN-PVAVHDDUSA-N 1 1 319.405 2.044 20 5 DEBDMO CCOC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776280048 642153214 /nfs/dbraw/zinc/15/32/14/642153214.db2.gz WHGJGYYLUCENAO-CZUORRHYSA-N 1 1 308.378 2.377 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCO)Cc2ccccc2)cc1 ZINC000776583093 642188660 /nfs/dbraw/zinc/18/86/60/642188660.db2.gz ZRVJXVGUZUFOOO-KRWDZBQOSA-N 1 1 316.357 2.123 20 5 DEBDMO CC(C)CO[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587114 642189532 /nfs/dbraw/zinc/18/95/32/642189532.db2.gz UIVPAGOHAJUPEC-HZPDHXFCSA-N 1 1 308.378 2.375 20 5 DEBDMO Cc1[nH+]ccn1CCCCOC(=O)c1cc([N+](=O)[O-])cn1C ZINC000778765677 642427718 /nfs/dbraw/zinc/42/77/18/642427718.db2.gz FGHCCEDZIDNKHZ-UHFFFAOYSA-N 1 1 306.322 2.075 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1C ZINC000901288611 642622573 /nfs/dbraw/zinc/62/25/73/642622573.db2.gz WKRUWTGVVKMNJU-NWDGAFQWSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1C ZINC000901288611 642622576 /nfs/dbraw/zinc/62/25/76/642622576.db2.gz WKRUWTGVVKMNJU-NWDGAFQWSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000902397824 643029073 /nfs/dbraw/zinc/02/90/73/643029073.db2.gz XPUKGTIZDRSXGX-GFCCVEGCSA-N 1 1 321.377 2.103 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000783918452 643068982 /nfs/dbraw/zinc/06/89/82/643068982.db2.gz DWMUHGDBKQLHKY-NSHDSACASA-N 1 1 316.361 2.290 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000785725689 643267543 /nfs/dbraw/zinc/26/75/43/643267543.db2.gz ARYSURKLRXIHQS-BETUJISGSA-N 1 1 322.361 2.390 20 5 DEBDMO [NH3+][C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000903540590 643379137 /nfs/dbraw/zinc/37/91/37/643379137.db2.gz DISMMHWBUBTLPB-MNOVXSKESA-N 1 1 319.283 2.012 20 5 DEBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786844422 643417542 /nfs/dbraw/zinc/41/75/42/643417542.db2.gz DDWNZHAWXQNZLU-UHFFFAOYSA-N 1 1 320.393 2.123 20 5 DEBDMO CCCS(=O)(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000795220071 644536856 /nfs/dbraw/zinc/53/68/56/644536856.db2.gz PGXYKHLOZRZANH-UHFFFAOYSA-N 1 1 314.407 2.244 20 5 DEBDMO Cc1[nH+]ccn1CCCOC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000796252137 644707137 /nfs/dbraw/zinc/70/71/37/644707137.db2.gz ACDPIJZMJDUNJK-UHFFFAOYSA-N 1 1 321.337 2.193 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000908142428 644760347 /nfs/dbraw/zinc/76/03/47/644760347.db2.gz LQQQUJOAQLVFFL-GFCCVEGCSA-N 1 1 305.378 2.378 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000908142428 644760350 /nfs/dbraw/zinc/76/03/50/644760350.db2.gz LQQQUJOAQLVFFL-GFCCVEGCSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1noc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000796695812 644778149 /nfs/dbraw/zinc/77/81/49/644778149.db2.gz PMIBOGTZKAYYDI-UONOGXRCSA-N 1 1 318.333 2.157 20 5 DEBDMO Cc1noc([C@@H]2CCC[N@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000796695812 644778153 /nfs/dbraw/zinc/77/81/53/644778153.db2.gz PMIBOGTZKAYYDI-UONOGXRCSA-N 1 1 318.333 2.157 20 5 DEBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cc1[N+](=O)[O-] ZINC000799157171 645135111 /nfs/dbraw/zinc/13/51/11/645135111.db2.gz PSMPLHKLJMOECK-YYWXWVFPSA-N 1 1 322.409 2.319 20 5 DEBDMO Cc1cc[nH+]c(N2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)c1 ZINC000800858475 645313489 /nfs/dbraw/zinc/31/34/89/645313489.db2.gz KHEYXNIOZBJJNF-UHFFFAOYSA-N 1 1 313.361 2.207 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000910281396 645386619 /nfs/dbraw/zinc/38/66/19/645386619.db2.gz XTXICOADJNVXJG-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000910295876 645408415 /nfs/dbraw/zinc/40/84/15/645408415.db2.gz PIUHFJFRNYNNQE-GFCCVEGCSA-N 1 1 305.378 2.460 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000843823350 651036248 /nfs/dbraw/zinc/03/62/48/651036248.db2.gz WLCWXYMUIFHSNQ-RNCFNFMXSA-N 1 1 321.352 2.255 20 5 DEBDMO CS[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000840114252 645985348 /nfs/dbraw/zinc/98/53/48/645985348.db2.gz PVGCLEYHUWKBST-LLVKDONJSA-N 1 1 307.379 2.043 20 5 DEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)CCC1(C)C ZINC000808187154 646053281 /nfs/dbraw/zinc/05/32/81/646053281.db2.gz DKNKUNXOBBNUFV-UHFFFAOYSA-N 1 1 305.378 2.428 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)CCC1(C)C ZINC000808187154 646053284 /nfs/dbraw/zinc/05/32/84/646053284.db2.gz DKNKUNXOBBNUFV-UHFFFAOYSA-N 1 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DEBDMO Cc1csc([C@H]2CC[N@H+](Cn3cc([N+](=O)[O-])c(C)n3)C2)n1 ZINC000872806804 689098184 /nfs/dbraw/zinc/09/81/84/689098184.db2.gz VCYIYBFOGOVYNX-NSHDSACASA-N 1 1 307.379 2.312 20 5 DEBDMO Cc1csc([C@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])c(C)n3)C2)n1 ZINC000872806804 689098187 /nfs/dbraw/zinc/09/81/87/689098187.db2.gz VCYIYBFOGOVYNX-NSHDSACASA-N 1 1 307.379 2.312 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000874837419 689510819 /nfs/dbraw/zinc/51/08/19/689510819.db2.gz JHUOBZZJVGRDPK-HUUCEWRRSA-N 1 1 303.362 2.212 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000874849595 689518174 /nfs/dbraw/zinc/51/81/74/689518174.db2.gz KGNXVPYRBCBKOD-GJZGRUSLSA-N 1 1 303.362 2.212 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874849335 689518512 /nfs/dbraw/zinc/51/85/12/689518512.db2.gz JJRDAZGAIRJCRR-KBPBESRZSA-N 1 1 303.362 2.212 20 5 DEBDMO Cc1c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874849607 689519252 /nfs/dbraw/zinc/51/92/52/689519252.db2.gz KKWQQPMEZUKING-GJZGRUSLSA-N 1 1 303.362 2.212 20 5 DEBDMO C[C@@]([NH3+])(C(=O)N1CCC(CCF)CC1)c1cccc([N+](=O)[O-])c1 ZINC000877148158 690030506 /nfs/dbraw/zinc/03/05/06/690030506.db2.gz UYUBWARJIFBOLQ-INIZCTEOSA-N 1 1 323.368 2.367 20 5 DEBDMO COc1ccc(OCC[N@H+]2C[C@H](OC)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000879320685 690618659 /nfs/dbraw/zinc/61/86/59/690618659.db2.gz KYCJNOHBTSQXHA-TZMCWYRMSA-N 1 1 324.377 2.482 20 5 DEBDMO NC(=O)[C@@H](C1CC1)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CC1 ZINC000879490367 690652676 /nfs/dbraw/zinc/65/26/76/690652676.db2.gz ZQZLXWDZCFDZNH-OAHLLOKOSA-N 1 1 321.352 2.210 20 5 DEBDMO NC(=O)[C@@H](C1CC1)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CC1 ZINC000879490367 690652678 /nfs/dbraw/zinc/65/26/78/690652678.db2.gz ZQZLXWDZCFDZNH-OAHLLOKOSA-N 1 1 321.352 2.210 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@]3(CCc4ccccc43)C2)c1 ZINC000879997362 690776028 /nfs/dbraw/zinc/77/60/28/690776028.db2.gz HNCDVOKMNVHBOQ-QGZVFWFLSA-N 1 1 312.373 2.381 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880144283 690820751 /nfs/dbraw/zinc/82/07/51/690820751.db2.gz BJINPNUBTHYPIS-NWDGAFQWSA-N 1 1 321.377 2.015 20 5 DEBDMO O=C(C[N@@H+]1CCC[C@@H](CF)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880234276 690846282 /nfs/dbraw/zinc/84/62/82/690846282.db2.gz FBEQMBFUZNEXIQ-LBPRGKRZSA-N 1 1 321.352 2.165 20 5 DEBDMO O=C(C[N@H+]1CCC[C@@H](CF)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880234276 690846284 /nfs/dbraw/zinc/84/62/84/690846284.db2.gz FBEQMBFUZNEXIQ-LBPRGKRZSA-N 1 1 321.352 2.165 20 5 DEBDMO O=C(C[N@@H+]1CCC[C@@H](CF)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880234122 690846522 /nfs/dbraw/zinc/84/65/22/690846522.db2.gz PNNNCWIWBGKSOD-LBPRGKRZSA-N 1 1 321.352 2.165 20 5 DEBDMO O=C(C[N@H+]1CCC[C@@H](CF)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880234122 690846526 /nfs/dbraw/zinc/84/65/26/690846526.db2.gz PNNNCWIWBGKSOD-LBPRGKRZSA-N 1 1 321.352 2.165 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880586665 690934216 /nfs/dbraw/zinc/93/42/16/690934216.db2.gz VRGLXVAZTDXUTP-GFCCVEGCSA-N 1 1 324.352 2.097 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880586665 690934217 /nfs/dbraw/zinc/93/42/17/690934217.db2.gz VRGLXVAZTDXUTP-GFCCVEGCSA-N 1 1 324.352 2.097 20 5 DEBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882270748 691249176 /nfs/dbraw/zinc/24/91/76/691249176.db2.gz DHIBTMZRFSGSNA-JTQLQIEISA-N 1 1 305.313 2.246 20 5 DEBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000882397002 691275603 /nfs/dbraw/zinc/27/56/03/691275603.db2.gz JLWCTRVDJBXQLO-MRXNPFEDSA-N 1 1 303.362 2.329 20 5 DEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000931626859 694443248 /nfs/dbraw/zinc/44/32/48/694443248.db2.gz UJHRWSIZVAIUOQ-SECBINFHSA-N 1 1 312.757 2.382 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000882961413 691398536 /nfs/dbraw/zinc/39/85/36/691398536.db2.gz MWVDWLKMLSTLFU-VUDGCMKMSA-N 1 1 319.361 2.287 20 5 DEBDMO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000931780796 694477711 /nfs/dbraw/zinc/47/77/11/694477711.db2.gz QEINSHQBKTUORS-XFBWCDHKSA-N 1 1 317.389 2.297 20 5 DEBDMO C[N@@H+]1CCN(Cc2cccnc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000886089764 692001735 /nfs/dbraw/zinc/00/17/35/692001735.db2.gz JGAVSTUXDDUFMC-INIZCTEOSA-N 1 1 312.373 2.479 20 5 DEBDMO C[N@H+]1CCN(Cc2cccnc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000886089764 692001739 /nfs/dbraw/zinc/00/17/39/692001739.db2.gz JGAVSTUXDDUFMC-INIZCTEOSA-N 1 1 312.373 2.479 20 5 DEBDMO CC(C)([NH2+]Cc1cccnc1[N+](=O)[O-])C(=O)NCC1CCCC1 ZINC000886100452 692003093 /nfs/dbraw/zinc/00/30/93/692003093.db2.gz NOYKXIUMFZGAGO-UHFFFAOYSA-N 1 1 320.393 2.164 20 5 DEBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886145352 692011866 /nfs/dbraw/zinc/01/18/66/692011866.db2.gz VVHGPBNYVYIXOR-QGZVFWFLSA-N 1 1 324.340 2.086 20 5 DEBDMO Cc1n[nH]cc1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886194324 692021589 /nfs/dbraw/zinc/02/15/89/692021589.db2.gz ODCMWIIPFMFSLF-UHFFFAOYSA-N 1 1 301.350 2.401 20 5 DEBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000886589322 692120538 /nfs/dbraw/zinc/12/05/38/692120538.db2.gz QOWVTTFCISQZLP-HNNXBMFYSA-N 1 1 305.378 2.397 20 5 DEBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000886589322 692120540 /nfs/dbraw/zinc/12/05/40/692120540.db2.gz QOWVTTFCISQZLP-HNNXBMFYSA-N 1 1 305.378 2.397 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H]([C@@H]4CCCO4)C3)nc2c1 ZINC000886822416 692201718 /nfs/dbraw/zinc/20/17/18/692201718.db2.gz QEFUJQJYZANTAW-ABAIWWIYSA-N 1 1 316.361 2.472 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000887268151 692318369 /nfs/dbraw/zinc/31/83/69/692318369.db2.gz DEQKHNXFOPRSDF-CMPLNLGQSA-N 1 1 306.322 2.176 20 5 DEBDMO C[N@H+]1C[C@@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000887939152 692486547 /nfs/dbraw/zinc/48/65/47/692486547.db2.gz QRTGIWRKMFHVOX-IKLSJNRZSA-N 1 1 315.373 2.018 20 5 DEBDMO C[C@@]1([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)COC(=O)N1 ZINC000932025775 694531319 /nfs/dbraw/zinc/53/13/19/694531319.db2.gz HFQPKOKOZDNJTP-CJNGLKHVSA-N 1 1 319.361 2.305 20 5 DEBDMO CC(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048685206 692677769 /nfs/dbraw/zinc/67/77/69/692677769.db2.gz MVZLDLJMHATORS-BETUJISGSA-N 1 1 323.418 2.203 20 5 DEBDMO CC(C)C(=O)N1C[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048685206 692677770 /nfs/dbraw/zinc/67/77/70/692677770.db2.gz MVZLDLJMHATORS-BETUJISGSA-N 1 1 323.418 2.203 20 5 DEBDMO CC(C)(C)OC[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000932167413 694565614 /nfs/dbraw/zinc/56/56/14/694565614.db2.gz SHPFWGIKMBSRKU-CQSZACIVSA-N 1 1 323.393 2.036 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](C)CC2)cccc1[N+](=O)[O-] ZINC000932342341 694596865 /nfs/dbraw/zinc/59/68/65/694596865.db2.gz MOWHSXJIODXSEP-LBPRGKRZSA-N 1 1 321.377 2.343 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335459597 1150423411 /nfs/dbraw/zinc/42/34/11/1150423411.db2.gz IIJAFWDJQIQDOI-ZFWWWQNUSA-N 1 1 307.394 2.091 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335459597 1150423412 /nfs/dbraw/zinc/42/34/12/1150423412.db2.gz IIJAFWDJQIQDOI-ZFWWWQNUSA-N 1 1 307.394 2.091 20 5 DEBDMO Cc1ccc(NCCNC(=O)c2cc([N+](=O)[O-])ccc2C)[nH+]c1 ZINC001351810054 1151615609 /nfs/dbraw/zinc/61/56/09/1151615609.db2.gz NYBDKEGDOXTXSG-UHFFFAOYSA-N 1 1 314.345 2.449 20 5 DEBDMO CC(C)Oc1nc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000580570812 719242902 /nfs/dbraw/zinc/24/29/02/719242902.db2.gz MSYXWZOFTLFHLK-NWDGAFQWSA-N 1 1 308.382 2.306 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001164631798 719250149 /nfs/dbraw/zinc/25/01/49/719250149.db2.gz GDYIVAJNLUKVLF-WDEREUQCSA-N 1 1 301.350 2.067 20 5 DEBDMO CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168964617 784989005 /nfs/dbraw/zinc/98/90/05/784989005.db2.gz UPMBQFVFKUYMOV-FRRDWIJNSA-N 1 1 300.399 2.388 20 5 DEBDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169005695 785000869 /nfs/dbraw/zinc/00/08/69/785000869.db2.gz CHQPKSMLIFZDMT-ZNMIVQPWSA-N 1 1 311.426 2.012 20 5 DEBDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011414 785003384 /nfs/dbraw/zinc/00/33/84/785003384.db2.gz KEIMQIJRZNVQFD-OLZOCXBDSA-N 1 1 315.414 2.278 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(N3CCC(F)CC3)CC2)C1 ZINC001169034239 785011963 /nfs/dbraw/zinc/01/19/63/785011963.db2.gz GHQKQQVGWLEGNP-BBRMVZONSA-N 1 1 313.417 2.330 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H](N2CCC([NH+]3CCC(F)CC3)CC2)C1 ZINC001169034239 785011966 /nfs/dbraw/zinc/01/19/66/785011966.db2.gz GHQKQQVGWLEGNP-BBRMVZONSA-N 1 1 313.417 2.330 20 5 DEBDMO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036450 785011971 /nfs/dbraw/zinc/01/19/71/785011971.db2.gz FXTBDZWKDSVLMM-JYJNAYRXSA-N 1 1 320.389 2.148 20 5 DEBDMO Cc1ccc2c(n1)N(C)CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018924 785016770 /nfs/dbraw/zinc/01/67/70/785016770.db2.gz DOCBECCNLUUVCL-DZGCQCFKSA-N 1 1 304.394 2.087 20 5 DEBDMO CCOCc1ncn2c1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169020529 785017616 /nfs/dbraw/zinc/01/76/16/785017616.db2.gz JHXHLPYRHUEIHD-UONOGXRCSA-N 1 1 322.409 2.071 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)C1 ZINC001169023643 785018461 /nfs/dbraw/zinc/01/84/61/785018461.db2.gz PHHZGOULYNBRIZ-LTIDMASMSA-N 1 1 304.390 2.110 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3ncnc(C4CC4)c3CC2)C1 ZINC001169025285 785019043 /nfs/dbraw/zinc/01/90/43/785019043.db2.gz SZRSNIKGYXTSJA-TZMCWYRMSA-N 1 1 316.405 2.200 20 5 DEBDMO CCOCc1noc2c1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169026735 785019591 /nfs/dbraw/zinc/01/95/91/785019591.db2.gz NPXACEIHDNPGAG-NEPJUHHUSA-N 1 1 309.366 2.015 20 5 DEBDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169026518 785020209 /nfs/dbraw/zinc/02/02/09/785020209.db2.gz LXPFKRPLYDYGFR-MJBXVCDLSA-N 1 1 312.410 2.486 20 5 DEBDMO CC(C)CC(=O)N1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169047597 785021526 /nfs/dbraw/zinc/02/15/26/785021526.db2.gz RMCKJOKYZBICQD-CABCVRRESA-N 1 1 311.426 2.012 20 5 DEBDMO CC[N@@H+](CCN(C)C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329536 786910477 /nfs/dbraw/zinc/91/04/77/786910477.db2.gz QSWMPLYWLCQVNZ-CYBMUJFWSA-N 1 1 309.410 2.418 20 5 DEBDMO CCN(CC[NH+](C)C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329536 786910484 /nfs/dbraw/zinc/91/04/84/786910484.db2.gz QSWMPLYWLCQVNZ-CYBMUJFWSA-N 1 1 309.410 2.418 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+](C)Cc2ncccn2)c([N+](=O)[O-])c1 ZINC001170329367 786910708 /nfs/dbraw/zinc/91/07/08/786910708.db2.gz PMGQBTYUXVQMKH-LBPRGKRZSA-N 1 1 316.361 2.456 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2ncccn2)c([N+](=O)[O-])c1 ZINC001170329367 786910710 /nfs/dbraw/zinc/91/07/10/786910710.db2.gz PMGQBTYUXVQMKH-LBPRGKRZSA-N 1 1 316.361 2.456 20 5 DEBDMO COc1ccc(C[C@@H](C)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170352832 786917219 /nfs/dbraw/zinc/91/72/19/786917219.db2.gz RIXSYICYIBUXCG-YUELXQCFSA-N 1 1 319.405 2.028 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170352832 786917265 /nfs/dbraw/zinc/91/72/65/786917265.db2.gz RIXSYICYIBUXCG-YUELXQCFSA-N 1 1 319.405 2.028 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170352832 786917273 /nfs/dbraw/zinc/91/72/73/786917273.db2.gz RIXSYICYIBUXCG-YUELXQCFSA-N 1 1 319.405 2.028 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001137492158 788370734 /nfs/dbraw/zinc/37/07/34/788370734.db2.gz MBTAQMJSCBHPDT-QWRGUYRKSA-N 1 1 321.352 2.397 20 5 DEBDMO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@@H](N)CCC[NH3+] ZINC001170900504 789644616 /nfs/dbraw/zinc/64/46/16/789644616.db2.gz LXZJNBPDBNXNBY-SNVBAGLBSA-N 1 1 302.762 2.001 20 5 DEBDMO C[C@@H]1C(=O)N(C)CC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914086 793530350 /nfs/dbraw/zinc/53/03/50/793530350.db2.gz ZBCNBMAVUVOHFG-DOMZBBRYSA-N 1 1 317.389 2.005 20 5 DEBDMO CC[N@@H+](CC(=O)OC)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911725 793543485 /nfs/dbraw/zinc/54/34/85/793543485.db2.gz FIVBTWICYYKKBN-AWEZNQCLSA-N 1 1 306.362 2.337 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2nn(C)cc2C1 ZINC001173228546 793642766 /nfs/dbraw/zinc/64/27/66/793642766.db2.gz XNEKFVGUWXMBHN-GFCCVEGCSA-N 1 1 300.362 2.318 20 5 DEBDMO CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225670 793643439 /nfs/dbraw/zinc/64/34/39/793643439.db2.gz FHOVOOFKUKFENB-IUODEOHRSA-N 1 1 305.378 2.126 20 5 DEBDMO CCOC(=O)N1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173234226 793646371 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Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC001637494486 1078522088 /nfs/dbraw/zinc/52/20/88/1078522088.db2.gz FUWGTKJHISEGDC-MNOVXSKESA-N 1 1 309.341 2.207 20 5 DEBDMO CC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(C)O ZINC001644640800 1078853328 /nfs/dbraw/zinc/85/33/28/1078853328.db2.gz OBVUIGPBYUACLL-UHFFFAOYSA-N 1 1 320.349 2.238 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001645239902 1078888787 /nfs/dbraw/zinc/88/87/87/1078888787.db2.gz BOEHUFQIRCXLFB-LBPRGKRZSA-N 1 1 311.769 2.318 20 5 DEBDMO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001543965884 1072513796 /nfs/dbraw/zinc/51/37/96/1072513796.db2.gz DLGAHTAHDZDLGG-NSHDSACASA-N 1 1 323.780 2.144 20 5 DEBDMO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)CCO1 ZINC001620678080 1076065844 /nfs/dbraw/zinc/06/58/44/1076065844.db2.gz HOKNDNOJDQPMHM-CHWSQXEVSA-N 1 1 321.377 2.057 20 5 DEBDMO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)CCO1 ZINC001620678080 1076065845 /nfs/dbraw/zinc/06/58/45/1076065845.db2.gz HOKNDNOJDQPMHM-CHWSQXEVSA-N 1 1 321.377 2.057 20 5 DEBDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])CC1CCC1 ZINC001591136807 1076713008 /nfs/dbraw/zinc/71/30/08/1076713008.db2.gz JNZBWUVGIVLPGV-UHFFFAOYSA-N 1 1 302.338 2.007 20 5 DEBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609167815 1077781362 /nfs/dbraw/zinc/78/13/62/1077781362.db2.gz BUEHQDLZOJRWOP-VHSXEESVSA-N 1 1 302.338 2.005 20 5 DEBDMO CCC(C)(C)[N@@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609183000 1077788311 /nfs/dbraw/zinc/78/83/11/1077788311.db2.gz RCFDSLWGRNWYEG-UHFFFAOYSA-N 1 1 304.354 2.395 20 5 DEBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1n[nH]c(=O)n1C ZINC001652756062 1079896353 /nfs/dbraw/zinc/89/63/53/1079896353.db2.gz HCWMGNJIQSSDBR-QWRGUYRKSA-N 1 1 319.365 2.101 20 5 DEBDMO Cc1ccc(NC(=O)Cn2cc[nH+]c2C(C)C)c(N)c1[N+](=O)[O-] ZINC001653214716 1079917814 /nfs/dbraw/zinc/91/78/14/1079917814.db2.gz MYIDUYUWFOSIOG-UHFFFAOYSA-N 1 1 317.349 2.444 20 5 DEBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001654911710 1079981857 /nfs/dbraw/zinc/98/18/57/1079981857.db2.gz CZJBGRGQTHJBJI-GFCCVEGCSA-N 1 1 309.341 2.034 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001654954488 1079982894 /nfs/dbraw/zinc/98/28/94/1079982894.db2.gz QRGREPNRTYWIRI-GMXVVIOVSA-N 1 1 305.334 2.086 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001654954488 1079982899 /nfs/dbraw/zinc/98/28/99/1079982899.db2.gz QRGREPNRTYWIRI-GMXVVIOVSA-N 1 1 305.334 2.086 20 5 DEBDMO COc1cc(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC001655054166 1079985662 /nfs/dbraw/zinc/98/56/62/1079985662.db2.gz QPYJJENZAPNZPQ-NTZNESFSSA-N 1 1 324.352 2.335 20 5 DEBDMO CC(C)[N@@H+](CCNC(=O)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001657068944 1080152568 /nfs/dbraw/zinc/15/25/68/1080152568.db2.gz JVPFGMIEKVYLGS-UHFFFAOYSA-N 1 1 305.378 2.331 20 5 DEBDMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001660028899 1080259825 /nfs/dbraw/zinc/25/98/25/1080259825.db2.gz ZOSVTMSKWVZBHD-LLVKDONJSA-N 1 1 309.322 2.096 20 5 DEBDMO O=C(NC/C=C/C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccoc1 ZINC001268511285 1080692289 /nfs/dbraw/zinc/69/22/89/1080692289.db2.gz KMUDOYOIBHWUDD-OWOJBTEDSA-N 1 1 321.358 2.325 20 5 DEBDMO CC[N@H+](CCNC(=O)c1cc[nH]c1)Cc1ccccc1[N+](=O)[O-] ZINC001663386116 1080739542 /nfs/dbraw/zinc/73/95/42/1080739542.db2.gz SAXULTDVURKWEW-UHFFFAOYSA-N 1 1 316.361 2.175 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1cc[nH]c1)Cc1ccccc1[N+](=O)[O-] ZINC001663386116 1080739548 /nfs/dbraw/zinc/73/95/48/1080739548.db2.gz SAXULTDVURKWEW-UHFFFAOYSA-N 1 1 316.361 2.175 20 5 DEBDMO C[N@@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC1CCC1 ZINC001271772248 1082150770 /nfs/dbraw/zinc/15/07/70/1082150770.db2.gz MDQNYVWWALPCFA-HZPDHXFCSA-N 1 1 323.437 2.012 20 5 DEBDMO C[N@H+](CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)CC1CCC1 ZINC001271772248 1082150775 /nfs/dbraw/zinc/15/07/75/1082150775.db2.gz MDQNYVWWALPCFA-HZPDHXFCSA-N 1 1 323.437 2.012 20 5 DEBDMO C[N@@H+](CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)CC1CCC1 ZINC001271772248 1082150778 /nfs/dbraw/zinc/15/07/78/1082150778.db2.gz MDQNYVWWALPCFA-HZPDHXFCSA-N 1 1 323.437 2.012 20 5 DEBDMO CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000957547722 1088400039 /nfs/dbraw/zinc/40/00/39/1088400039.db2.gz NDEFSHLYRWGNDQ-HUUCEWRRSA-N 1 1 323.437 2.156 20 5 DEBDMO Cc1cc(Cl)nc(N2CCC(F)(F)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001164319619 1089445572 /nfs/dbraw/zinc/44/55/72/1089445572.db2.gz KYLAZZUNQFJFCY-ZETCQYMHSA-N 1 1 306.700 2.124 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC001293854267 1139050281 /nfs/dbraw/zinc/05/02/81/1139050281.db2.gz ALOKJDGVLDHOPO-RISCZKNCSA-N 1 1 323.368 2.455 20 5 DEBDMO COc1ccc(C(=O)Nc2cc(C)[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC001319180053 1140519335 /nfs/dbraw/zinc/51/93/35/1140519335.db2.gz MTSRDSOEITYNMQ-UHFFFAOYSA-N 1 1 301.302 2.289 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCCNC2)c1F ZINC001246130061 1140864324 /nfs/dbraw/zinc/86/43/24/1140864324.db2.gz RPRPJZSIXNKSGW-MNOVXSKESA-N 1 1 311.357 2.015 20 5 DEBDMO CCC[C@@H]1CN(c2c(C)cncc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC001322485388 1141607324 /nfs/dbraw/zinc/60/73/24/1141607324.db2.gz MRNIWYRULGVPCW-CQSZACIVSA-N 1 1 322.409 2.235 20 5 DEBDMO COC(=O)CC(C)(C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001322884787 1141755455 /nfs/dbraw/zinc/75/54/55/1141755455.db2.gz BGGPNYGNQALMHS-UHFFFAOYSA-N 1 1 310.350 2.247 20 5 DEBDMO CN(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001336846904 1142594850 /nfs/dbraw/zinc/59/48/50/1142594850.db2.gz ZTXSCGKPJXBBHD-HRCADAONSA-N 1 1 319.405 2.091 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001336887531 1142616485 /nfs/dbraw/zinc/61/64/85/1142616485.db2.gz UTLXMTAYLPWVKQ-DIOULYMOSA-N 1 1 305.378 2.493 20 5 DEBDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001337035324 1142666522 /nfs/dbraw/zinc/66/65/22/1142666522.db2.gz JGIXLKNNEZXUBU-MRXNPFEDSA-N 1 1 319.405 2.374 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001254560236 1143247836 /nfs/dbraw/zinc/24/78/36/1143247836.db2.gz QJWHNICCZVMTEJ-BLLLJJGKSA-N 1 1 319.361 2.100 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2nn(C)cc2C1 ZINC001254559801 1143248624 /nfs/dbraw/zinc/24/86/24/1143248624.db2.gz NAFVMHVNPAALOI-GFCCVEGCSA-N 1 1 300.362 2.318 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001254567368 1143250008 /nfs/dbraw/zinc/25/00/08/1143250008.db2.gz CIPHHARTZUESHS-UKRRQHHQSA-N 1 1 317.389 2.223 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001254569105 1143255543 /nfs/dbraw/zinc/25/55/43/1143255543.db2.gz HZPWJBAHUPFERA-HIFRSBDPSA-N 1 1 315.377 2.454 20 5 DEBDMO O=C1N[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc21 ZINC001254583177 1143267981 /nfs/dbraw/zinc/26/79/81/1143267981.db2.gz YDSOPFBETJFDSG-WBMJQRKESA-N 1 1 309.325 2.094 20 5 DEBDMO COC(=O)[C@@H]1C[C@@H](C)C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602136 1143277109 /nfs/dbraw/zinc/27/71/09/1143277109.db2.gz CGPRUNQYBHGHGA-DJSGYFEHSA-N 1 1 318.373 2.193 20 5 DEBDMO COC(=O)C[C@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605526 1143278471 /nfs/dbraw/zinc/27/84/71/1143278471.db2.gz AZKUPUMZDMYOPJ-WBMJQRKESA-N 1 1 318.373 2.337 20 5 DEBDMO COC(=O)CC(C)(C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001255937303 1143815552 /nfs/dbraw/zinc/81/55/52/1143815552.db2.gz FPPYWDWHNNGOLQ-UHFFFAOYSA-N 1 1 320.349 2.245 20 5 DEBDMO C[NH+](C)Cc1nnc(-c2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC001261570177 1144257647 /nfs/dbraw/zinc/25/76/47/1144257647.db2.gz HZUNFHCFGCBVOT-UHFFFAOYSA-N 1 1 314.248 2.308 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC001261647924 1144262517 /nfs/dbraw/zinc/26/25/17/1144262517.db2.gz MJRUMVVQXIEWQJ-GFCCVEGCSA-N 1 1 320.393 2.098 20 5 DEBDMO CCc1[nH+]ccn1CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001307207305 1147405975 /nfs/dbraw/zinc/40/59/75/1147405975.db2.gz PDQVCKYUSQEWKW-UHFFFAOYSA-N 1 1 305.294 2.374 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@H](c3ccccc3)CC2)n1 ZINC001308158154 1147448525 /nfs/dbraw/zinc/44/85/25/1147448525.db2.gz UKYJZZZQBKTDGU-HNNXBMFYSA-N 1 1 316.361 2.255 20 5 DEBDMO CC[N@@H+](CCNC(=O)C(C)(C)F)Cc1cccc([N+](=O)[O-])c1 ZINC001317474962 1147713494 /nfs/dbraw/zinc/71/34/94/1147713494.db2.gz FKEJNPIEAVOXCY-UHFFFAOYSA-N 1 1 311.357 2.281 20 5 DEBDMO C[NH+](C)[C@@H]1CCCC[C@@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001325871508 1148011538 /nfs/dbraw/zinc/01/15/38/1148011538.db2.gz PBWQKMNEGILPRG-ARFHVFGLSA-N 1 1 307.394 2.091 20 5 DEBDMO C[NH+](C)[C@@H]1CCCC[C@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001325871515 1148011674 /nfs/dbraw/zinc/01/16/74/1148011674.db2.gz PBWQKMNEGILPRG-OAGGEKHMSA-N 1 1 307.394 2.091 20 5 DEBDMO C[NH+](C)Cc1nnc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)o1 ZINC001326292439 1148071242 /nfs/dbraw/zinc/07/12/42/1148071242.db2.gz KFSZSOSSZCJXMD-UHFFFAOYSA-N 1 1 317.349 2.307 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286555302 219051419 /nfs/dbraw/zinc/05/14/19/219051419.db2.gz ABLKYMLNCKYQBL-ZDUSSCGKSA-N 1 1 319.405 2.425 20 5 DEBDMO CC[N@H+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286555302 219051422 /nfs/dbraw/zinc/05/14/22/219051422.db2.gz ABLKYMLNCKYQBL-ZDUSSCGKSA-N 1 1 319.405 2.425 20 5 DEBDMO Cc1cnc(NC(C)(C)CCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000613705409 362185298 /nfs/dbraw/zinc/18/52/98/362185298.db2.gz ZQVHDCSEXUUTDO-UHFFFAOYSA-N 1 1 321.425 2.126 20 5 DEBDMO C[NH+]1CCN(CCCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000299413737 529771707 /nfs/dbraw/zinc/77/17/07/529771707.db2.gz HZCXMEYTACSSOL-UHFFFAOYSA-N 1 1 312.801 2.298 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000421713596 529949522 /nfs/dbraw/zinc/94/95/22/529949522.db2.gz SYSKYQHPYJUCJS-ZDUSSCGKSA-N 1 1 319.405 2.425 20 5 DEBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000189607414 282313948 /nfs/dbraw/zinc/31/39/48/282313948.db2.gz KFLVUNZJLFXUNF-HNNXBMFYSA-N 1 1 312.341 2.479 20 5 DEBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330880105 232135375 /nfs/dbraw/zinc/13/53/75/232135375.db2.gz YVXOXZMCQROVKR-SDDRHHMPSA-N 1 1 323.368 2.436 20 5 DEBDMO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000181808132 199355598 /nfs/dbraw/zinc/35/55/98/199355598.db2.gz XVKMWDYFJPAWRM-LLVKDONJSA-N 1 1 318.333 2.489 20 5 DEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000119299125 185722662 /nfs/dbraw/zinc/72/26/62/185722662.db2.gz RVLQTQAYJNZLAE-ZDUSSCGKSA-N 1 1 305.378 2.303 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000141954163 186031321 /nfs/dbraw/zinc/03/13/21/186031321.db2.gz PMVZSHISEJEEKZ-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000141954163 186031323 /nfs/dbraw/zinc/03/13/23/186031323.db2.gz PMVZSHISEJEEKZ-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@H+]1C ZINC000149461877 186050110 /nfs/dbraw/zinc/05/01/10/186050110.db2.gz RQRLFMAWYWNANW-ZJUUUORDSA-N 1 1 311.769 2.461 20 5 DEBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000152480762 186078121 /nfs/dbraw/zinc/07/81/21/186078121.db2.gz VQELSLNCHOGRPP-RISCZKNCSA-N 1 1 322.361 2.197 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155656430 186100023 /nfs/dbraw/zinc/10/00/23/186100023.db2.gz GVKPPXYLFIEYAY-UHFFFAOYSA-N 1 1 319.340 2.238 20 5 DEBDMO CC1(C)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181876886 186214105 /nfs/dbraw/zinc/21/41/05/186214105.db2.gz IODJETVVZXPCOC-ZDUSSCGKSA-N 1 1 308.378 2.457 20 5 DEBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595496808 358465542 /nfs/dbraw/zinc/46/55/42/358465542.db2.gz ISVJYKNQMQFWLV-ZDUSSCGKSA-N 1 1 323.368 2.472 20 5 DEBDMO COCC1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCOCC1 ZINC000595501600 358466244 /nfs/dbraw/zinc/46/62/44/358466244.db2.gz UMYZUMMZIYEWPX-UHFFFAOYSA-N 1 1 316.304 2.158 20 5 DEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173155077 198189535 /nfs/dbraw/zinc/18/95/35/198189535.db2.gz PMVFVVATYDTBPR-GFCCVEGCSA-N 1 1 316.361 2.095 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000173212900 198196298 /nfs/dbraw/zinc/19/62/98/198196298.db2.gz HUCHPMHXAMPBDN-GXTWGEPZSA-N 1 1 305.378 2.315 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000174494068 198341701 /nfs/dbraw/zinc/34/17/01/198341701.db2.gz YFLMVYHTFMLVOE-ZDUSSCGKSA-N 1 1 305.378 2.317 20 5 DEBDMO O=[N+]([O-])c1cccnc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023640599 354060601 /nfs/dbraw/zinc/06/06/01/354060601.db2.gz JORHDLLYERPLPN-UHFFFAOYSA-N 1 1 320.393 2.437 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000046878850 354295934 /nfs/dbraw/zinc/29/59/34/354295934.db2.gz RNENYELZVDCCOZ-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO CCOC(=O)N[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052871037 354414811 /nfs/dbraw/zinc/41/48/11/354414811.db2.gz GOJDLOXGBVTSJP-CQSZACIVSA-N 1 1 321.377 2.348 20 5 DEBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000056343369 354529408 /nfs/dbraw/zinc/52/94/08/354529408.db2.gz OYWDQHLBXDGIIE-UHFFFAOYSA-N 1 1 308.382 2.115 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000067529550 354766843 /nfs/dbraw/zinc/76/68/43/354766843.db2.gz MHAHAJSKPUHAML-LBPRGKRZSA-N 1 1 306.366 2.447 20 5 DEBDMO CC(C)[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000068916433 354839081 /nfs/dbraw/zinc/83/90/81/354839081.db2.gz SOMAQCYVHKBLBD-UHFFFAOYSA-N 1 1 308.338 2.424 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332565067 235112741 /nfs/dbraw/zinc/11/27/41/235112741.db2.gz ASNACRAXIDFPLK-ZDUSSCGKSA-N 1 1 303.362 2.132 20 5 DEBDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595593109 358494758 /nfs/dbraw/zinc/49/47/58/358494758.db2.gz NSSXWMZDOORGJL-SNVBAGLBSA-N 1 1 323.349 2.382 20 5 DEBDMO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000081519753 355435488 /nfs/dbraw/zinc/43/54/88/355435488.db2.gz DSMIJRMHPRDPSJ-CYBMUJFWSA-N 1 1 321.377 2.200 20 5 DEBDMO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000081519753 355435491 /nfs/dbraw/zinc/43/54/91/355435491.db2.gz DSMIJRMHPRDPSJ-CYBMUJFWSA-N 1 1 321.377 2.200 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+](C)C1CC1 ZINC000094056088 355692311 /nfs/dbraw/zinc/69/23/11/355692311.db2.gz TYMPETHDVVJTNV-UHFFFAOYSA-N 1 1 305.378 2.344 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000140682314 355887479 /nfs/dbraw/zinc/88/74/79/355887479.db2.gz HRUVXXHLTSUUJJ-INIZCTEOSA-N 1 1 305.378 2.020 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000142905040 355895976 /nfs/dbraw/zinc/89/59/76/355895976.db2.gz KBFJANSHQGECAD-GFCCVEGCSA-N 1 1 306.322 2.178 20 5 DEBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000164961143 355975017 /nfs/dbraw/zinc/97/50/17/355975017.db2.gz ZGGNZLZNAAZVQH-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@@H](C1CC1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182209330 356114058 /nfs/dbraw/zinc/11/40/58/356114058.db2.gz YHIXPHLCLQIVSE-NSHDSACASA-N 1 1 312.391 2.099 20 5 DEBDMO C[C@@H](C1CC1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182209330 356114063 /nfs/dbraw/zinc/11/40/63/356114063.db2.gz YHIXPHLCLQIVSE-NSHDSACASA-N 1 1 312.391 2.099 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000198962839 356265727 /nfs/dbraw/zinc/26/57/27/356265727.db2.gz XDIBCYXDRDAMAT-LBPRGKRZSA-N 1 1 303.362 2.358 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000618455984 363498221 /nfs/dbraw/zinc/49/82/21/363498221.db2.gz UMCMBPWWJPUVKJ-ZDUSSCGKSA-N 1 1 303.362 2.117 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCc4[nH+]ccn43)n2)o1 ZINC000351144337 356621423 /nfs/dbraw/zinc/62/14/23/356621423.db2.gz HYGJMQCPVXNZDG-QMMMGPOBSA-N 1 1 301.262 2.360 20 5 DEBDMO Cc1cc(-c2noc(CCc3c[nH+]cn3C)n2)cc([N+](=O)[O-])c1 ZINC000351150092 356622757 /nfs/dbraw/zinc/62/27/57/356622757.db2.gz SSCYWLZYVIKHAR-UHFFFAOYSA-N 1 1 313.317 2.472 20 5 DEBDMO Cn1c[nH+]cc1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000579086281 356917699 /nfs/dbraw/zinc/91/76/99/356917699.db2.gz ISNXFWJKZRFIGQ-UHFFFAOYSA-N 1 1 315.255 2.397 20 5 DEBDMO C[C@@H]1C[C@@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000580987689 357111931 /nfs/dbraw/zinc/11/19/31/357111931.db2.gz QFVSOHFTOUUMRK-GHMZBOCLSA-N 1 1 309.391 2.070 20 5 DEBDMO Cc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)cc1[N+](=O)[O-] ZINC000589684381 357489367 /nfs/dbraw/zinc/48/93/67/357489367.db2.gz CBVNUAHQUQNEBG-ZDUSSCGKSA-N 1 1 323.368 2.343 20 5 DEBDMO CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H](C)OC ZINC000589737579 357493461 /nfs/dbraw/zinc/49/34/61/357493461.db2.gz XAWIACCOLYRZBD-LLVKDONJSA-N 1 1 310.350 2.223 20 5 DEBDMO Cc1cc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)ccn1 ZINC000590655514 357574005 /nfs/dbraw/zinc/57/40/05/357574005.db2.gz GHVVVZSRJWPPKW-UHFFFAOYSA-N 1 1 315.329 2.359 20 5 DEBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000593133661 358018384 /nfs/dbraw/zinc/01/83/84/358018384.db2.gz ALLDGJIXGBKQNB-UONOGXRCSA-N 1 1 321.352 2.019 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593424448 358074400 /nfs/dbraw/zinc/07/44/00/358074400.db2.gz GWIKCDVKNNGCQF-GFCCVEGCSA-N 1 1 323.368 2.123 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000593514744 358095029 /nfs/dbraw/zinc/09/50/29/358095029.db2.gz BVCFIMMXSNHZRN-MFKMUULPSA-N 1 1 321.352 2.018 20 5 DEBDMO C[N@@H+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000594356525 358247996 /nfs/dbraw/zinc/24/79/96/358247996.db2.gz OFHMIPJNBADISQ-UHFFFAOYSA-N 1 1 319.405 2.425 20 5 DEBDMO C[N@H+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000594356525 358247998 /nfs/dbraw/zinc/24/79/98/358247998.db2.gz OFHMIPJNBADISQ-UHFFFAOYSA-N 1 1 319.405 2.425 20 5 DEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594201714 358223016 /nfs/dbraw/zinc/22/30/16/358223016.db2.gz PXFBCANQVAQHBN-JKSUJKDBSA-N 1 1 317.389 2.270 20 5 DEBDMO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000594389269 358254499 /nfs/dbraw/zinc/25/44/99/358254499.db2.gz HNVHLBCNPINTRK-UHFFFAOYSA-N 1 1 321.377 2.247 20 5 DEBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@H]1C ZINC000594568595 358295328 /nfs/dbraw/zinc/29/53/28/358295328.db2.gz UYCAYPYNERQQCU-GFCCVEGCSA-N 1 1 308.382 2.307 20 5 DEBDMO NC(=O)c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594602530 358302430 /nfs/dbraw/zinc/30/24/30/358302430.db2.gz QYMHCSAIULHSMX-TZMCWYRMSA-N 1 1 318.377 2.123 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)s1 ZINC000594600484 358302491 /nfs/dbraw/zinc/30/24/91/358302491.db2.gz QWVSHNMLGUEBMC-GFCCVEGCSA-N 1 1 311.407 2.347 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595350992 358428415 /nfs/dbraw/zinc/42/84/15/358428415.db2.gz CZOOQIPRWXWTNA-QGZVFWFLSA-N 1 1 321.421 2.260 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180991920 199238200 /nfs/dbraw/zinc/23/82/00/199238200.db2.gz GTECPCFJRXZMCF-LBPRGKRZSA-N 1 1 320.393 2.027 20 5 DEBDMO CN(c1ccccc1)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595825274 358557008 /nfs/dbraw/zinc/55/70/08/358557008.db2.gz DTDVLZDFZKESSH-HNNXBMFYSA-N 1 1 315.377 2.002 20 5 DEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC000595741535 358537416 /nfs/dbraw/zinc/53/74/16/358537416.db2.gz URMJCFOGVQCKLI-HOCLYGCPSA-N 1 1 322.409 2.054 20 5 DEBDMO C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@H+]1CCCC[C@H]1C ZINC000596075387 358604587 /nfs/dbraw/zinc/60/45/87/358604587.db2.gz ZKJPOZJDFUJUFA-VXGBXAGGSA-N 1 1 320.393 2.369 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000596246547 358651233 /nfs/dbraw/zinc/65/12/33/358651233.db2.gz GZLGHQVTTZXWAC-CQSZACIVSA-N 1 1 305.378 2.204 20 5 DEBDMO NC(=O)c1cc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000596298140 358663064 /nfs/dbraw/zinc/66/30/64/358663064.db2.gz URKRFZJUIGWXCX-UKRRQHHQSA-N 1 1 318.377 2.123 20 5 DEBDMO NC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000596648240 358732051 /nfs/dbraw/zinc/73/20/51/358732051.db2.gz MXZWERZSNWKPSR-STQMWFEESA-N 1 1 307.398 2.136 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000597605488 358961492 /nfs/dbraw/zinc/96/14/92/358961492.db2.gz PJOKEPHKVMHKKW-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO Cc1c(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000618866141 363621284 /nfs/dbraw/zinc/62/12/84/363621284.db2.gz USPHVYGWTQPIKN-HNNXBMFYSA-N 1 1 303.362 2.146 20 5 DEBDMO CCC(O)(CC)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599673622 359566312 /nfs/dbraw/zinc/56/63/12/359566312.db2.gz RSIYBJQHGFXUIL-LBPRGKRZSA-N 1 1 323.393 2.405 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)(CO)CC1 ZINC000186957860 200038976 /nfs/dbraw/zinc/03/89/76/200038976.db2.gz NPFMNNYSLVBINR-GFCCVEGCSA-N 1 1 321.377 2.016 20 5 DEBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000600311598 359719294 /nfs/dbraw/zinc/71/92/94/359719294.db2.gz PUEASRBJBNYBEG-LLVKDONJSA-N 1 1 309.341 2.196 20 5 DEBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000281115068 216089313 /nfs/dbraw/zinc/08/93/13/216089313.db2.gz NLUKWIXUZZOAHK-CQSZACIVSA-N 1 1 311.769 2.206 20 5 DEBDMO COCCN(CCOC)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601098664 359918939 /nfs/dbraw/zinc/91/89/39/359918939.db2.gz CVUODWQQTXMITO-UHFFFAOYSA-N 1 1 305.334 2.242 20 5 DEBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)[S@@]1=O ZINC000601151841 359944203 /nfs/dbraw/zinc/94/42/03/359944203.db2.gz FYOBSHSVVCGZRM-JVHXITMCSA-N 1 1 319.386 2.489 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601259880 359984414 /nfs/dbraw/zinc/98/44/14/359984414.db2.gz FGWOQOUZORJDHB-NSHDSACASA-N 1 1 309.341 2.148 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601666725 360106238 /nfs/dbraw/zinc/10/62/38/360106238.db2.gz QKWQMUQGIQKQID-JTQLQIEISA-N 1 1 309.341 2.337 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CCn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000601914173 360189801 /nfs/dbraw/zinc/18/98/01/360189801.db2.gz UZXLJNPWHSFRTE-QWRGUYRKSA-N 1 1 303.366 2.367 20 5 DEBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+]1C1CCCC1 ZINC000602068838 360254672 /nfs/dbraw/zinc/25/46/72/360254672.db2.gz BEWNPGQSWDTUJZ-HNNXBMFYSA-N 1 1 303.362 2.228 20 5 DEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601971531 360216233 /nfs/dbraw/zinc/21/62/33/360216233.db2.gz DIJWVXSOOIVUJP-OKILXGFUSA-N 1 1 306.362 2.460 20 5 DEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601976246 360218625 /nfs/dbraw/zinc/21/86/25/360218625.db2.gz OXONVAZCQBSPTA-PHIMTYICSA-N 1 1 314.288 2.274 20 5 DEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601976246 360218628 /nfs/dbraw/zinc/21/86/28/360218628.db2.gz OXONVAZCQBSPTA-PHIMTYICSA-N 1 1 314.288 2.274 20 5 DEBDMO CSCCC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281208655 216152960 /nfs/dbraw/zinc/15/29/60/216152960.db2.gz AXSVCAUZJAJFTB-GFCCVEGCSA-N 1 1 314.407 2.019 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000602838008 360582033 /nfs/dbraw/zinc/58/20/33/360582033.db2.gz RHGNJGWWCFWGAA-AWEZNQCLSA-N 1 1 310.423 2.319 20 5 DEBDMO [NH3+]CC[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000443068800 238103178 /nfs/dbraw/zinc/10/31/78/238103178.db2.gz IKXFYZRXKFEXAX-NSHDSACASA-N 1 1 304.350 2.297 20 5 DEBDMO CC[NH+](CC)Cc1cn(CCOc2cccc([N+](=O)[O-])c2)nn1 ZINC000603200198 360743571 /nfs/dbraw/zinc/74/35/71/360743571.db2.gz FYLYISLYVFFGHZ-UHFFFAOYSA-N 1 1 319.365 2.107 20 5 DEBDMO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444592252 238195395 /nfs/dbraw/zinc/19/53/95/238195395.db2.gz CJDDGKZXFATVDT-IINYFYTJSA-N 1 1 304.350 2.206 20 5 DEBDMO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444592252 238195407 /nfs/dbraw/zinc/19/54/07/238195407.db2.gz CJDDGKZXFATVDT-IINYFYTJSA-N 1 1 304.350 2.206 20 5 DEBDMO O=[N+]([O-])c1cccnc1N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000603417039 360825781 /nfs/dbraw/zinc/82/57/81/360825781.db2.gz WQRKNBICSLSODL-GJZGRUSLSA-N 1 1 310.357 2.453 20 5 DEBDMO O=[N+]([O-])c1ccccc1CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000603848323 360865224 /nfs/dbraw/zinc/86/52/24/360865224.db2.gz LLQSTZQEKGHALB-MRXNPFEDSA-N 1 1 319.405 2.282 20 5 DEBDMO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444665123 238231261 /nfs/dbraw/zinc/23/12/61/238231261.db2.gz SUHAZMZSIUJQBA-JQWIXIFHSA-N 1 1 304.350 2.206 20 5 DEBDMO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444665123 238231274 /nfs/dbraw/zinc/23/12/74/238231274.db2.gz SUHAZMZSIUJQBA-JQWIXIFHSA-N 1 1 304.350 2.206 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CO)c3ccccc3)nc2c1 ZINC000444673578 238237277 /nfs/dbraw/zinc/23/72/77/238237277.db2.gz NEDRVRLBEOGUKF-OAHLLOKOSA-N 1 1 312.329 2.294 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H]([C@@H]4CCOC4)C3)nc2c1 ZINC000444664920 238223300 /nfs/dbraw/zinc/22/33/00/238223300.db2.gz SGNSADXHCISFCA-VXGBXAGGSA-N 1 1 316.361 2.330 20 5 DEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281411354 216281580 /nfs/dbraw/zinc/28/15/80/216281580.db2.gz ODRLBTBWAPGYQB-ZDUSSCGKSA-N 1 1 321.377 2.424 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609383670 361308596 /nfs/dbraw/zinc/30/85/96/361308596.db2.gz ZVSGGUINBDXEMQ-CYBMUJFWSA-N 1 1 303.362 2.117 20 5 DEBDMO COC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000610615479 361431166 /nfs/dbraw/zinc/43/11/66/361431166.db2.gz FDVYXUMGMJWBJA-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO CN(C(=O)C[N@H+](C)CCOC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000610859896 361479014 /nfs/dbraw/zinc/47/90/14/361479014.db2.gz SYJZGEHIYQSRAZ-UHFFFAOYSA-N 1 1 323.393 2.305 20 5 DEBDMO CN(C(=O)C[N@@H+](C)CCOC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000610859896 361479019 /nfs/dbraw/zinc/47/90/19/361479019.db2.gz SYJZGEHIYQSRAZ-UHFFFAOYSA-N 1 1 323.393 2.305 20 5 DEBDMO Cn1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1=O ZINC000610864877 361481337 /nfs/dbraw/zinc/48/13/37/361481337.db2.gz WQJAMDGBTRIGNL-UHFFFAOYSA-N 1 1 313.357 2.458 20 5 DEBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)CO ZINC000611170999 361539739 /nfs/dbraw/zinc/53/97/39/361539739.db2.gz DIFUERLEOSAPBT-UHFFFAOYSA-N 1 1 305.334 2.453 20 5 DEBDMO COCC1([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000611178463 361541960 /nfs/dbraw/zinc/54/19/60/361541960.db2.gz BPYWNVOXVZXSRS-UHFFFAOYSA-N 1 1 310.350 2.093 20 5 DEBDMO CC[C@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCCO1 ZINC000281538280 216368680 /nfs/dbraw/zinc/36/86/80/216368680.db2.gz WOMMWAKKPJJBAF-ZDUSSCGKSA-N 1 1 324.377 2.483 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707524 361663253 /nfs/dbraw/zinc/66/32/53/361663253.db2.gz IUKZFMCPJKXPPV-ZUZCIYMTSA-N 1 1 313.361 2.433 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000449195945 240182944 /nfs/dbraw/zinc/18/29/44/240182944.db2.gz XCRDHKXSHBGNNQ-SMDDNHRTSA-N 1 1 300.362 2.396 20 5 DEBDMO Cc1ncccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534763 193266093 /nfs/dbraw/zinc/26/60/93/193266093.db2.gz CCCZYYZSXDOEKL-CQSZACIVSA-N 1 1 313.361 2.380 20 5 DEBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000265846530 204919734 /nfs/dbraw/zinc/91/97/34/204919734.db2.gz OVHZZTXXZHMVDW-UMVBOHGHSA-N 1 1 308.378 2.455 20 5 DEBDMO Cc1c(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423072030 291543328 /nfs/dbraw/zinc/54/33/28/291543328.db2.gz IQOYPSLKQSFHNY-HRCADAONSA-N 1 1 319.405 2.150 20 5 DEBDMO Cc1cccc([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000159919110 197373815 /nfs/dbraw/zinc/37/38/15/197373815.db2.gz DGVQCLUYKHNVQL-OAHLLOKOSA-N 1 1 301.350 2.332 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(CCO)CC3)nc2c1 ZINC000530962648 284492339 /nfs/dbraw/zinc/49/23/39/284492339.db2.gz GWOQWDDQCBRJBP-UHFFFAOYSA-N 1 1 305.334 2.330 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000262071846 296227848 /nfs/dbraw/zinc/22/78/48/296227848.db2.gz WXRYQQIAMNAWRQ-GFCCVEGCSA-N 1 1 319.292 2.114 20 5 DEBDMO COc1ccc(OCC[N@@H+](C)CCOCC2CC2)c([N+](=O)[O-])c1 ZINC000268008597 206394112 /nfs/dbraw/zinc/39/41/12/206394112.db2.gz FWTPLJVYESEJIE-UHFFFAOYSA-N 1 1 324.377 2.341 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492264130 249026247 /nfs/dbraw/zinc/02/62/47/249026247.db2.gz VNSURIRVBDKBJL-RYYBZQDPSA-N 1 1 303.362 2.159 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492264110 249026620 /nfs/dbraw/zinc/02/66/20/249026620.db2.gz VGXRDEUPAHBMJP-KPRDYVAISA-N 1 1 303.362 2.159 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492323251 249039043 /nfs/dbraw/zinc/03/90/43/249039043.db2.gz NEALEOSSFLUCCI-WACGGTQYSA-N 1 1 303.362 2.159 20 5 DEBDMO Cc1cnc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000532166819 284661511 /nfs/dbraw/zinc/66/15/11/284661511.db2.gz HVCMRWPFJTUDRN-ZIAGYGMSSA-N 1 1 320.393 2.354 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000159782525 197364545 /nfs/dbraw/zinc/36/45/45/197364545.db2.gz PXYJWALJKYXXBQ-OAHLLOKOSA-N 1 1 313.357 2.246 20 5 DEBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])cn1 ZINC000274050471 211308636 /nfs/dbraw/zinc/30/86/36/211308636.db2.gz YUCDNEQNUNBMHU-LBPRGKRZSA-N 1 1 301.350 2.317 20 5 DEBDMO Cn1cnnc1C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000105796916 194130161 /nfs/dbraw/zinc/13/01/61/194130161.db2.gz GBHTUELEBGMDJV-UHFFFAOYSA-N 1 1 307.379 2.164 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@](C)(O)C(F)(F)F ZINC000285208476 218333952 /nfs/dbraw/zinc/33/39/52/218333952.db2.gz DLMUJEXEJSVGIU-LBPRGKRZSA-N 1 1 306.284 2.382 20 5 DEBDMO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285351878 218393928 /nfs/dbraw/zinc/39/39/28/218393928.db2.gz PPUKYFHKBUJVQM-ZDUSSCGKSA-N 1 1 307.394 2.324 20 5 DEBDMO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285351878 218393931 /nfs/dbraw/zinc/39/39/31/218393931.db2.gz PPUKYFHKBUJVQM-ZDUSSCGKSA-N 1 1 307.394 2.324 20 5 DEBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000110732964 194355023 /nfs/dbraw/zinc/35/50/23/194355023.db2.gz LHQNVSQYKCHNKQ-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000110732964 194355025 /nfs/dbraw/zinc/35/50/25/194355025.db2.gz LHQNVSQYKCHNKQ-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000110996121 194378210 /nfs/dbraw/zinc/37/82/10/194378210.db2.gz SEXKULRSDVLEII-ZDUSSCGKSA-N 1 1 321.377 2.208 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000110996760 194378537 /nfs/dbraw/zinc/37/85/37/194378537.db2.gz QEKAWKQXCYRSSX-LBPRGKRZSA-N 1 1 309.341 2.338 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)cc1 ZINC000281740611 285115700 /nfs/dbraw/zinc/11/57/00/285115700.db2.gz QJYHMEBXMURBMF-KRWDZBQOSA-N 1 1 314.341 2.355 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000444910242 533139731 /nfs/dbraw/zinc/13/97/31/533139731.db2.gz VPJZIOZTZIRBHE-GHMZBOCLSA-N 1 1 322.365 2.160 20 5 DEBDMO Cc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000155216948 197032957 /nfs/dbraw/zinc/03/29/57/197032957.db2.gz NYPYGYALMUMAOU-CJNGLKHVSA-N 1 1 317.389 2.460 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000289442484 220977222 /nfs/dbraw/zinc/97/72/22/220977222.db2.gz OMUYIMCSUJVLON-CABCVRRESA-N 1 1 320.389 2.457 20 5 DEBDMO Cc1cnn([C@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000290047448 221399692 /nfs/dbraw/zinc/39/96/92/221399692.db2.gz WVBUYRZRLXAVCE-HNNXBMFYSA-N 1 1 316.361 2.426 20 5 DEBDMO C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000331371080 533298678 /nfs/dbraw/zinc/29/86/78/533298678.db2.gz DOJYQRTUZFHRFS-GHMZBOCLSA-N 1 1 321.352 2.190 20 5 DEBDMO COc1cccc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000444404323 533400269 /nfs/dbraw/zinc/40/02/69/533400269.db2.gz RPXJHYXFKJMPAM-ZDUSSCGKSA-N 1 1 321.377 2.016 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000366655956 131309969 /nfs/dbraw/zinc/30/99/69/131309969.db2.gz OZMDHUMJFJUCRV-ZIAGYGMSSA-N 1 1 306.362 2.332 20 5 DEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355739556 133045184 /nfs/dbraw/zinc/04/51/84/133045184.db2.gz GHCHPVJOYXPKOD-NSHDSACASA-N 1 1 308.334 2.131 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCC(F)(F)F)C2)nc1 ZINC000355889058 133054067 /nfs/dbraw/zinc/05/40/67/133054067.db2.gz JUBYAFRWPMLZDW-VIFPVBQESA-N 1 1 304.272 2.428 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCC2CC2)CC1 ZINC000359841023 133148488 /nfs/dbraw/zinc/14/84/88/133148488.db2.gz DINDCVFYVYRCAP-UHFFFAOYSA-N 1 1 309.391 2.214 20 5 DEBDMO Cc1ccc(CNc2c[nH+]ccc2-n2ccnn2)cc1[N+](=O)[O-] ZINC000377401771 133328956 /nfs/dbraw/zinc/32/89/56/133328956.db2.gz KMICISLSWRFFTI-UHFFFAOYSA-N 1 1 310.317 2.491 20 5 DEBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCCC2 ZINC000372720809 133363586 /nfs/dbraw/zinc/36/35/86/133363586.db2.gz ZFAPSAZEYKWWBY-UONOGXRCSA-N 1 1 322.409 2.498 20 5 DEBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCCC2 ZINC000372720809 133363587 /nfs/dbraw/zinc/36/35/87/133363587.db2.gz ZFAPSAZEYKWWBY-UONOGXRCSA-N 1 1 322.409 2.498 20 5 DEBDMO CCC[C@H](C(=O)OCC)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373271836 133384508 /nfs/dbraw/zinc/38/45/08/133384508.db2.gz FGRVHXFEWXAZRB-CYBMUJFWSA-N 1 1 324.381 2.160 20 5 DEBDMO C[C@H]1CCCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000187923682 145004908 /nfs/dbraw/zinc/00/49/08/145004908.db2.gz ZPFOZMJXVLVIDT-ZFWWWQNUSA-N 1 1 308.378 2.457 20 5 DEBDMO [NH3+]CCCOC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000346693714 146125706 /nfs/dbraw/zinc/12/57/06/146125706.db2.gz PCZXCOLIFLKMPQ-ZZXKWVIFSA-N 1 1 319.405 2.438 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOC3CCC3)C2)nc1 ZINC000346993245 146175972 /nfs/dbraw/zinc/17/59/72/146175972.db2.gz ISDOZYWBCLXIML-LBPRGKRZSA-N 1 1 306.366 2.045 20 5 DEBDMO C[C@@H](C(=O)NCC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000348011024 146211351 /nfs/dbraw/zinc/21/13/51/146211351.db2.gz KNVSPHDEKJQETL-SNVBAGLBSA-N 1 1 309.341 2.048 20 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148236436 /nfs/dbraw/zinc/23/64/36/148236436.db2.gz PZLKGZPCLQRTJQ-LLVKDONJSA-N 1 1 318.333 2.113 20 5 DEBDMO CC[N@H+]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000110587493 401691507 /nfs/dbraw/zinc/69/15/07/401691507.db2.gz FUDKBMLNZOUTPN-UHFFFAOYSA-N 1 1 318.377 2.012 20 5 DEBDMO COC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000112990607 401764477 /nfs/dbraw/zinc/76/44/77/401764477.db2.gz CSZXFDHTMYCKGG-OLZOCXBDSA-N 1 1 321.377 2.280 20 5 DEBDMO CC(C)OC(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000075626839 401764707 /nfs/dbraw/zinc/76/47/07/401764707.db2.gz YKWXRQOPGYWOEQ-UHFFFAOYSA-N 1 1 321.377 2.059 20 5 DEBDMO CO[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000076348050 401792489 /nfs/dbraw/zinc/79/24/89/401792489.db2.gz XJRLRVVDLLDGOH-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000025508700 401834760 /nfs/dbraw/zinc/83/47/60/401834760.db2.gz SSSIYKFGMUAUSQ-BETUJISGSA-N 1 1 317.389 2.462 20 5 DEBDMO CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000117335012 401875375 /nfs/dbraw/zinc/87/53/75/401875375.db2.gz DBONKVGZYMVMSA-UHFFFAOYSA-N 1 1 305.334 2.377 20 5 DEBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000047966867 401991417 /nfs/dbraw/zinc/99/14/17/401991417.db2.gz HALHONPQHWZFAM-LLVKDONJSA-N 1 1 304.350 2.201 20 5 DEBDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000091099827 401993525 /nfs/dbraw/zinc/99/35/25/401993525.db2.gz VBYJLMROZTWJKW-GFCCVEGCSA-N 1 1 311.407 2.267 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000122925035 402101689 /nfs/dbraw/zinc/10/16/89/402101689.db2.gz LGJQPPSQEOGNQO-UHFFFAOYSA-N 1 1 322.365 2.163 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000067963218 402180921 /nfs/dbraw/zinc/18/09/21/402180921.db2.gz IGFOTKFQBBFJHY-RYUDHWBXSA-N 1 1 321.377 2.341 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000154774946 402230887 /nfs/dbraw/zinc/23/08/87/402230887.db2.gz CBVZQVNQOUFZRP-HIFRSBDPSA-N 1 1 303.362 2.151 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000107890851 402243251 /nfs/dbraw/zinc/24/32/51/402243251.db2.gz UZTWVMRWAUFTLQ-LHRNQBEKSA-N 1 1 303.362 2.066 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000069858746 402247466 /nfs/dbraw/zinc/24/74/66/402247466.db2.gz DWYDHNYJZOVOBR-HNNXBMFYSA-N 1 1 319.405 2.139 20 5 DEBDMO O=[N+]([O-])c1ccccc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069858746 402247469 /nfs/dbraw/zinc/24/74/69/402247469.db2.gz DWYDHNYJZOVOBR-HNNXBMFYSA-N 1 1 319.405 2.139 20 5 DEBDMO Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000184613258 402283721 /nfs/dbraw/zinc/28/37/21/402283721.db2.gz NQROJBCQBPTUKE-UHFFFAOYSA-N 1 1 306.366 2.461 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000157260424 402293521 /nfs/dbraw/zinc/29/35/21/402293521.db2.gz SNDCKYJXGBDEBB-IAQYHMDHSA-N 1 1 321.352 2.290 20 5 DEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)CC ZINC000184788155 402299664 /nfs/dbraw/zinc/29/96/64/402299664.db2.gz UYOSTIJRMKVTLS-AWEZNQCLSA-N 1 1 307.394 2.231 20 5 DEBDMO CC[C@H]1[C@@H](C)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000185594145 402363719 /nfs/dbraw/zinc/36/37/19/402363719.db2.gz CUSJQALYBCVISB-IHRRRGAJSA-N 1 1 308.378 2.455 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@@H+](CCC(F)(F)F)CC2CC2)n1 ZINC000177171361 402377959 /nfs/dbraw/zinc/37/79/59/402377959.db2.gz MTYUJORNHWJECN-UHFFFAOYSA-N 1 1 306.288 2.456 20 5 DEBDMO Cc1noc(C)c1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237607475 402414881 /nfs/dbraw/zinc/41/48/81/402414881.db2.gz IULYRFMIJYKOCN-GFCCVEGCSA-N 1 1 317.349 2.281 20 5 DEBDMO C[C@H](O)C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162452529 402420478 /nfs/dbraw/zinc/42/04/78/402420478.db2.gz YCHXBBHMUMTUBL-QMMMGPOBSA-N 1 1 303.156 2.170 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177651560 402423769 /nfs/dbraw/zinc/42/37/69/402423769.db2.gz MGWKFZBVVRSRNQ-YPMHNXCESA-N 1 1 318.377 2.019 20 5 DEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000177817204 402439018 /nfs/dbraw/zinc/43/90/18/402439018.db2.gz RNTXMKOUCLEVHZ-HIFRSBDPSA-N 1 1 303.362 2.294 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000178439419 402498856 /nfs/dbraw/zinc/49/88/56/402498856.db2.gz QQPCAFBSZWOJCB-OAHLLOKOSA-N 1 1 318.421 2.201 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@H](C)C1 ZINC000170774571 402523737 /nfs/dbraw/zinc/52/37/37/402523737.db2.gz IBMGBWXGZGWAPW-NEPJUHHUSA-N 1 1 307.350 2.033 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCO[C@H](C)C1 ZINC000170774571 402523739 /nfs/dbraw/zinc/52/37/39/402523739.db2.gz IBMGBWXGZGWAPW-NEPJUHHUSA-N 1 1 307.350 2.033 20 5 DEBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCOC1 ZINC000178761967 402535759 /nfs/dbraw/zinc/53/57/59/402535759.db2.gz ZABLLGXXPUWVCQ-LLVKDONJSA-N 1 1 318.333 2.113 20 5 DEBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000189471220 402539404 /nfs/dbraw/zinc/53/94/04/402539404.db2.gz QXJRBLYBVLBSTR-GFCCVEGCSA-N 1 1 306.284 2.382 20 5 DEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@@H]1O ZINC000181423948 402645564 /nfs/dbraw/zinc/64/55/64/402645564.db2.gz YXKCIEYGKXSXAC-BBRMVZONSA-N 1 1 308.378 2.457 20 5 DEBDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000251722259 402649486 /nfs/dbraw/zinc/64/94/86/402649486.db2.gz JYOQSEZAQODEAJ-BXKDBHETSA-N 1 1 312.753 2.489 20 5 DEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000251722259 402649488 /nfs/dbraw/zinc/64/94/88/402649488.db2.gz JYOQSEZAQODEAJ-BXKDBHETSA-N 1 1 312.753 2.489 20 5 DEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CC2CC2)C2CCCCC2)c1 ZINC000173636721 402706118 /nfs/dbraw/zinc/70/61/18/402706118.db2.gz GTZOZYXWWRJWLW-MRXNPFEDSA-N 1 1 322.409 2.197 20 5 DEBDMO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192171266 402715884 /nfs/dbraw/zinc/71/58/84/402715884.db2.gz DPGMIOPTEAVVCL-LBPRGKRZSA-N 1 1 323.418 2.385 20 5 DEBDMO C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192171266 402715885 /nfs/dbraw/zinc/71/58/85/402715885.db2.gz DPGMIOPTEAVVCL-LBPRGKRZSA-N 1 1 323.418 2.385 20 5 DEBDMO O=[N+]([O-])c1cccc(OCCN2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000172803238 402676731 /nfs/dbraw/zinc/67/67/31/402676731.db2.gz NHLOGYXCCWMKMP-OAHLLOKOSA-N 1 1 305.378 2.144 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255455445 402688193 /nfs/dbraw/zinc/68/81/93/402688193.db2.gz UZTWVMRWAUFTLQ-BMWLXYDHSA-N 1 1 303.362 2.066 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000255568150 402691128 /nfs/dbraw/zinc/69/11/28/402691128.db2.gz USOMGHUSIPPUFM-FFZKKDKQSA-N 1 1 315.373 2.349 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000174674343 402751665 /nfs/dbraw/zinc/75/16/65/402751665.db2.gz UDNLPEOERNSXGA-CMDGGOBGSA-N 1 1 305.378 2.456 20 5 DEBDMO C[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000264382634 402873273 /nfs/dbraw/zinc/87/32/73/402873273.db2.gz PHWYXPIXNCHHIB-GFCCVEGCSA-N 1 1 317.393 2.035 20 5 DEBDMO CC[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000271523272 402879354 /nfs/dbraw/zinc/87/93/54/402879354.db2.gz OQZXJPOPRQGGTG-CABCVRRESA-N 1 1 304.350 2.103 20 5 DEBDMO CC[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265697457 402940941 /nfs/dbraw/zinc/94/09/41/402940941.db2.gz CAYMAXXEVSJLLN-UHFFFAOYSA-N 1 1 305.378 2.037 20 5 DEBDMO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000279195323 402914438 /nfs/dbraw/zinc/91/44/38/402914438.db2.gz AAMNKLHGABCFJE-LRDDRELGSA-N 1 1 321.377 2.423 20 5 DEBDMO CO[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000279195323 402914440 /nfs/dbraw/zinc/91/44/40/402914440.db2.gz AAMNKLHGABCFJE-LRDDRELGSA-N 1 1 321.377 2.423 20 5 DEBDMO CO[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000279195325 402914542 /nfs/dbraw/zinc/91/45/42/402914542.db2.gz AAMNKLHGABCFJE-MLGOLLRUSA-N 1 1 321.377 2.423 20 5 DEBDMO CO[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000279195325 402914545 /nfs/dbraw/zinc/91/45/45/402914545.db2.gz AAMNKLHGABCFJE-MLGOLLRUSA-N 1 1 321.377 2.423 20 5 DEBDMO Cc1c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000272370903 402928966 /nfs/dbraw/zinc/92/89/66/402928966.db2.gz AQMUIWNWEALEED-IUODEOHRSA-N 1 1 303.362 2.069 20 5 DEBDMO Cn1ccnc1[C@@H]([NH2+]CCCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000280438550 402999968 /nfs/dbraw/zinc/99/99/68/402999968.db2.gz KDKSLTHLTOGORO-HNNXBMFYSA-N 1 1 318.377 2.170 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2[nH+]ccn2C)CC1 ZINC000266958189 403002896 /nfs/dbraw/zinc/00/28/96/403002896.db2.gz WAXIIJDETUEONR-CYBMUJFWSA-N 1 1 315.377 2.212 20 5 DEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1OCCc2ccccc21 ZINC000267105208 403015784 /nfs/dbraw/zinc/01/57/84/403015784.db2.gz VNEXZGLRZFFVED-HNNXBMFYSA-N 1 1 316.361 2.037 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000268221343 403063039 /nfs/dbraw/zinc/06/30/39/403063039.db2.gz QIEOOBOUTXQRJX-AYBYEKEQSA-N 1 1 315.373 2.207 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000268240626 403065468 /nfs/dbraw/zinc/06/54/68/403065468.db2.gz UXMXKOQIGNDYDM-RNCFNFMXSA-N 1 1 323.780 2.461 20 5 DEBDMO Cc1ccc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000275641553 403111814 /nfs/dbraw/zinc/11/18/14/403111814.db2.gz WPHSVGVTUXJDEO-ZDUSSCGKSA-N 1 1 307.394 2.185 20 5 DEBDMO Cc1ccc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000275641548 403112063 /nfs/dbraw/zinc/11/20/63/403112063.db2.gz WPHSVGVTUXJDEO-CYBMUJFWSA-N 1 1 307.394 2.185 20 5 DEBDMO COCCn1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000281864526 403099217 /nfs/dbraw/zinc/09/92/17/403099217.db2.gz CDWPJEVTEHLYOB-UHFFFAOYSA-N 1 1 324.768 2.381 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000270478232 403194129 /nfs/dbraw/zinc/19/41/29/403194129.db2.gz JBADVYONODOLJC-LBPRGKRZSA-N 1 1 322.283 2.396 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000330643123 403296174 /nfs/dbraw/zinc/29/61/74/403296174.db2.gz XTXQYFLIXDJXMY-OLZOCXBDSA-N 1 1 305.378 2.078 20 5 DEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284287001 403260135 /nfs/dbraw/zinc/26/01/35/403260135.db2.gz NSKQKHIHUSQWHF-CMPLNLGQSA-N 1 1 318.333 2.212 20 5 DEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284287001 403260137 /nfs/dbraw/zinc/26/01/37/403260137.db2.gz NSKQKHIHUSQWHF-CMPLNLGQSA-N 1 1 318.333 2.212 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000277953254 403274328 /nfs/dbraw/zinc/27/43/28/403274328.db2.gz JYPXGQVFXGAQTB-CYBMUJFWSA-N 1 1 305.378 2.317 20 5 DEBDMO C[C@@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1CCC1 ZINC000284980828 403275619 /nfs/dbraw/zinc/27/56/19/403275619.db2.gz YAOVWUXZOVVATJ-NSHDSACASA-N 1 1 323.349 2.486 20 5 DEBDMO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331245118 403361258 /nfs/dbraw/zinc/36/12/58/403361258.db2.gz LTLXUYVCEXPTEJ-SMDDNHRTSA-N 1 1 305.378 2.045 20 5 DEBDMO CC(C)CCOCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298163600 403324551 /nfs/dbraw/zinc/32/45/51/403324551.db2.gz SSBMMDSNYFEFCH-UHFFFAOYSA-N 1 1 322.409 2.175 20 5 DEBDMO C[C@H](NC(=O)[C@@H]1CC[NH2+]CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000342748518 403332866 /nfs/dbraw/zinc/33/28/66/403332866.db2.gz JPYKXPZSUDHGSY-CABZTGNLSA-N 1 1 313.304 2.017 20 5 DEBDMO Cc1c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000331143122 403338599 /nfs/dbraw/zinc/33/85/99/403338599.db2.gz MSODDPUMFHTYJA-OAHLLOKOSA-N 1 1 305.378 2.315 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000331157243 403342072 /nfs/dbraw/zinc/34/20/72/403342072.db2.gz QDIIFJPNACMXGL-OAHLLOKOSA-N 1 1 305.378 2.315 20 5 DEBDMO CC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000298419254 403378887 /nfs/dbraw/zinc/37/88/87/403378887.db2.gz LDCGCEVJCITGLY-UKRRQHHQSA-N 1 1 308.378 2.457 20 5 DEBDMO CS[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331587991 403424211 /nfs/dbraw/zinc/42/42/11/403424211.db2.gz OCIQXSMUUMVGEZ-UONOGXRCSA-N 1 1 321.402 2.137 20 5 DEBDMO CS[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331587991 403424215 /nfs/dbraw/zinc/42/42/15/403424215.db2.gz OCIQXSMUUMVGEZ-UONOGXRCSA-N 1 1 321.402 2.137 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343052074 403445301 /nfs/dbraw/zinc/44/53/01/403445301.db2.gz JANYQMAJIBCDOR-CYBMUJFWSA-N 1 1 320.393 2.226 20 5 DEBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000332241802 403527173 /nfs/dbraw/zinc/52/71/73/403527173.db2.gz ANSJTNYRUNCOOW-CYBMUJFWSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000332241802 403527176 /nfs/dbraw/zinc/52/71/76/403527176.db2.gz ANSJTNYRUNCOOW-CYBMUJFWSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000332241802 403527178 /nfs/dbraw/zinc/52/71/78/403527178.db2.gz ANSJTNYRUNCOOW-CYBMUJFWSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000332241802 403527181 /nfs/dbraw/zinc/52/71/81/403527181.db2.gz ANSJTNYRUNCOOW-CYBMUJFWSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000332241802 403527183 /nfs/dbraw/zinc/52/71/83/403527183.db2.gz ANSJTNYRUNCOOW-CYBMUJFWSA-N 1 1 301.350 2.401 20 5 DEBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000332244254 403527626 /nfs/dbraw/zinc/52/76/26/403527626.db2.gz QBECFANFSFZZRJ-QWRGUYRKSA-N 1 1 316.361 2.241 20 5 DEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000332244254 403527627 /nfs/dbraw/zinc/52/76/27/403527627.db2.gz QBECFANFSFZZRJ-QWRGUYRKSA-N 1 1 316.361 2.241 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000345907040 403528715 /nfs/dbraw/zinc/52/87/15/403528715.db2.gz NIQAUVOCGAOHJA-CHWSQXEVSA-N 1 1 305.378 2.458 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000343335884 403544059 /nfs/dbraw/zinc/54/40/59/403544059.db2.gz KNZKLWOYAXUCAZ-UHFFFAOYSA-N 1 1 314.345 2.068 20 5 DEBDMO CC[N@@H+](CCOC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000299243873 403553891 /nfs/dbraw/zinc/55/38/91/403553891.db2.gz VWQMCIABCZWORM-UHFFFAOYSA-N 1 1 309.366 2.200 20 5 DEBDMO CN(c1nc2sccn2c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286402228 403518079 /nfs/dbraw/zinc/51/80/79/403518079.db2.gz OKDNRBBEJOUDKW-ZACCUICWSA-N 1 1 321.406 2.365 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC[N@H+]1C ZINC000343441125 403592668 /nfs/dbraw/zinc/59/26/68/403592668.db2.gz BTCWLEOIAWREFZ-NOZJJQNGSA-N 1 1 311.769 2.461 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345978512 403557396 /nfs/dbraw/zinc/55/73/96/403557396.db2.gz JFYADARGSOGXNW-ZIAGYGMSSA-N 1 1 319.405 2.469 20 5 DEBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCOCC1 ZINC000332361547 403560284 /nfs/dbraw/zinc/56/02/84/403560284.db2.gz XBEDDJYMYKYZBK-UHFFFAOYSA-N 1 1 304.350 2.330 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345986438 403560594 /nfs/dbraw/zinc/56/05/94/403560594.db2.gz POZANUICBCHCMU-CHWSQXEVSA-N 1 1 305.378 2.078 20 5 DEBDMO CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347255327 403638902 /nfs/dbraw/zinc/63/89/02/403638902.db2.gz FLTHVVXZXAINQJ-NSHDSACASA-N 1 1 310.329 2.340 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347259704 403639571 /nfs/dbraw/zinc/63/95/71/403639571.db2.gz DBHQJOUERNFZCA-UHFFFAOYSA-N 1 1 308.313 2.117 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287815962 403672550 /nfs/dbraw/zinc/67/25/50/403672550.db2.gz KOESBBOHRLFSRP-KOLCDFICSA-N 1 1 321.406 2.376 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc([N+](=O)[O-])c1 ZINC000294271700 403689033 /nfs/dbraw/zinc/68/90/33/403689033.db2.gz UHPAHAMJBDMTMV-KRWDZBQOSA-N 1 1 317.389 2.461 20 5 DEBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000343692338 403695359 /nfs/dbraw/zinc/69/53/59/403695359.db2.gz USBDUUJBIDYZCM-LLVKDONJSA-N 1 1 310.350 2.377 20 5 DEBDMO C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000287952026 403698267 /nfs/dbraw/zinc/69/82/67/403698267.db2.gz QLQSWSLYRUSGTI-QMMMGPOBSA-N 1 1 307.379 2.494 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000343583905 403650507 /nfs/dbraw/zinc/65/05/07/403650507.db2.gz ZEUUOPGFKLMMLZ-GFCCVEGCSA-N 1 1 309.341 2.338 20 5 DEBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000288546159 403757801 /nfs/dbraw/zinc/75/78/01/403757801.db2.gz VIKRUEUTNCEPBM-UHFFFAOYSA-N 1 1 315.329 2.144 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295290715 403836164 /nfs/dbraw/zinc/83/61/64/403836164.db2.gz INGYNZVZIPHZBL-LBPRGKRZSA-N 1 1 303.362 2.151 20 5 DEBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000347629870 403782706 /nfs/dbraw/zinc/78/27/06/403782706.db2.gz MKSLOBMSRXLEHU-CQSZACIVSA-N 1 1 305.378 2.333 20 5 DEBDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304375928 403786953 /nfs/dbraw/zinc/78/69/53/403786953.db2.gz XEPFFDOZQSRQBE-AEGPPILISA-N 1 1 310.398 2.053 20 5 DEBDMO Cc1c(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000361748518 403841075 /nfs/dbraw/zinc/84/10/75/403841075.db2.gz BNWFXUKOTHAJEZ-IUODEOHRSA-N 1 1 318.377 2.461 20 5 DEBDMO CCOc1cc(NCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000315481482 404013384 /nfs/dbraw/zinc/01/33/84/404013384.db2.gz AYKNHNSLHIJGSK-UHFFFAOYSA-N 1 1 309.366 2.128 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000289980745 404013606 /nfs/dbraw/zinc/01/36/06/404013606.db2.gz XPOVNKIYLGPBIF-SQWLQELKSA-N 1 1 319.405 2.451 20 5 DEBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000337422257 404013734 /nfs/dbraw/zinc/01/37/34/404013734.db2.gz BRPDGAHQRHITKP-BDJLRTHQSA-N 1 1 322.361 2.234 20 5 DEBDMO C[C@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347952624 403974091 /nfs/dbraw/zinc/97/40/91/403974091.db2.gz YMIWTUAGFRBKBE-NEPJUHHUSA-N 1 1 323.368 2.390 20 5 DEBDMO C[C@H](C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347958704 403977906 /nfs/dbraw/zinc/97/79/06/403977906.db2.gz OOQKZZKJFPYOSY-PGUXBMHVSA-N 1 1 323.368 2.436 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000351958993 404036766 /nfs/dbraw/zinc/03/67/66/404036766.db2.gz PICOHHSPSUGEHR-LBPRGKRZSA-N 1 1 324.406 2.239 20 5 DEBDMO CN(C)c1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000341567598 404039381 /nfs/dbraw/zinc/03/93/81/404039381.db2.gz ZSMQPRCWSIMAQU-UHFFFAOYSA-N 1 1 321.768 2.394 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](c3ccncc3)C2)n1 ZINC000296025721 404055378 /nfs/dbraw/zinc/05/53/78/404055378.db2.gz ROUSQBDLIDXGQL-CQSZACIVSA-N 1 1 301.350 2.066 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000341846918 404211090 /nfs/dbraw/zinc/21/10/90/404211090.db2.gz LJTMKNOZIIFDMA-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000341846918 404211096 /nfs/dbraw/zinc/21/10/96/404211096.db2.gz LJTMKNOZIIFDMA-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000290644709 404254606 /nfs/dbraw/zinc/25/46/06/404254606.db2.gz QHSZWERZFYQTFA-CYBMUJFWSA-N 1 1 307.394 2.374 20 5 DEBDMO COc1cc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000344625834 404270256 /nfs/dbraw/zinc/27/02/56/404270256.db2.gz JTWVCJBORGLECU-YPMHNXCESA-N 1 1 323.393 2.184 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000344644548 404281249 /nfs/dbraw/zinc/28/12/49/404281249.db2.gz NMLNZCLTELRFAQ-HNNXBMFYSA-N 1 1 319.405 2.374 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc2n1CCC2 ZINC000344841853 404400313 /nfs/dbraw/zinc/40/03/13/404400313.db2.gz APOGLZLGNUJOMY-WQLSENKSSA-N 1 1 313.361 2.326 20 5 DEBDMO Cc1c(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291785880 404520063 /nfs/dbraw/zinc/52/00/63/404520063.db2.gz MMSGHRHSZJYMER-GFCCVEGCSA-N 1 1 300.305 2.353 20 5 DEBDMO Cc1c(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291785880 404520066 /nfs/dbraw/zinc/52/00/66/404520066.db2.gz MMSGHRHSZJYMER-GFCCVEGCSA-N 1 1 300.305 2.353 20 5 DEBDMO Cc1[nH+]ccn1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000297670158 404586708 /nfs/dbraw/zinc/58/67/08/404586708.db2.gz VSEXPRVTHOVDHI-UHFFFAOYSA-N 1 1 314.345 2.291 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000342374469 404539654 /nfs/dbraw/zinc/53/96/54/404539654.db2.gz UBWSOAPADDXQFB-NSHDSACASA-N 1 1 321.406 2.376 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000352684115 404546468 /nfs/dbraw/zinc/54/64/68/404546468.db2.gz NFWMVHLDDIYGKQ-UHFFFAOYSA-N 1 1 324.381 2.457 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc([N+](=O)[O-])c1 ZINC000292057029 404648979 /nfs/dbraw/zinc/64/89/79/404648979.db2.gz BJKGHOURADVSIY-INIZCTEOSA-N 1 1 303.362 2.071 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000342602154 404673199 /nfs/dbraw/zinc/67/31/99/404673199.db2.gz LTPORXZYZBEMAV-ZDUSSCGKSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342602154 404673205 /nfs/dbraw/zinc/67/32/05/404673205.db2.gz LTPORXZYZBEMAV-ZDUSSCGKSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000351620050 404674051 /nfs/dbraw/zinc/67/40/51/404674051.db2.gz LTSICKWPVGUXDT-UKRRQHHQSA-N 1 1 308.378 2.457 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000356758590 404682482 /nfs/dbraw/zinc/68/24/82/404682482.db2.gz FAAKJQIMCQRMRW-LLVKDONJSA-N 1 1 309.366 2.062 20 5 DEBDMO CSc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330585627 404694004 /nfs/dbraw/zinc/69/40/04/404694004.db2.gz LJLDUWFDUVYHNI-WDEREUQCSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330585627 404694006 /nfs/dbraw/zinc/69/40/06/404694006.db2.gz LJLDUWFDUVYHNI-WDEREUQCSA-N 1 1 323.418 2.481 20 5 DEBDMO C[NH2+]Cc1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000414636378 404698280 /nfs/dbraw/zinc/69/82/80/404698280.db2.gz AEJHHNDAHLNPKD-UHFFFAOYSA-N 1 1 302.212 2.383 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414781570 404733038 /nfs/dbraw/zinc/73/30/38/404733038.db2.gz NFFCWUQOIIGTSB-OAHLLOKOSA-N 1 1 319.405 2.091 20 5 DEBDMO Cc1c(C[N@@H+](C)CCN2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000434694037 404926764 /nfs/dbraw/zinc/92/67/64/404926764.db2.gz QASWNUQRRWRQKV-UHFFFAOYSA-N 1 1 321.421 2.446 20 5 DEBDMO NC(=O)c1ccc(C[N@@H+](CC2CC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000361580468 405142509 /nfs/dbraw/zinc/14/25/09/405142509.db2.gz YQCPCMLHCLFDDQ-UHFFFAOYSA-N 1 1 303.362 2.458 20 5 DEBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](CCCO)C2)c(F)c1 ZINC000452127491 405187258 /nfs/dbraw/zinc/18/72/58/405187258.db2.gz WBHVIUKHHZQHRI-JTQLQIEISA-N 1 1 300.305 2.467 20 5 DEBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](CCCO)C2)c(F)c1 ZINC000452127491 405187262 /nfs/dbraw/zinc/18/72/62/405187262.db2.gz WBHVIUKHHZQHRI-JTQLQIEISA-N 1 1 300.305 2.467 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000452113579 405175033 /nfs/dbraw/zinc/17/50/33/405175033.db2.gz ISAWQTXTSGUPNC-CYBMUJFWSA-N 1 1 317.393 2.386 20 5 DEBDMO COc1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1[N+](=O)[O-] ZINC000425353722 405278492 /nfs/dbraw/zinc/27/84/92/405278492.db2.gz QIIRCKHXEJCRNT-CYBMUJFWSA-N 1 1 317.349 2.032 20 5 DEBDMO COc1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)cc1[N+](=O)[O-] ZINC000425353722 405278495 /nfs/dbraw/zinc/27/84/95/405278495.db2.gz QIIRCKHXEJCRNT-CYBMUJFWSA-N 1 1 317.349 2.032 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c(Cl)c1 ZINC000425359433 405280093 /nfs/dbraw/zinc/28/00/93/405280093.db2.gz SKTFSJDSCHLMHH-SNVBAGLBSA-N 1 1 307.741 2.356 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c(Cl)c1 ZINC000425359433 405280095 /nfs/dbraw/zinc/28/00/95/405280095.db2.gz SKTFSJDSCHLMHH-SNVBAGLBSA-N 1 1 307.741 2.356 20 5 DEBDMO CC[C@@]1(O)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000425931787 405331263 /nfs/dbraw/zinc/33/12/63/405331263.db2.gz MYPJKHSLGACDDN-MRXNPFEDSA-N 1 1 321.377 2.079 20 5 DEBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000426228832 405345514 /nfs/dbraw/zinc/34/55/14/405345514.db2.gz UAGFRIKPCCZCDU-UKRRQHHQSA-N 1 1 324.377 2.218 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420953570 405414722 /nfs/dbraw/zinc/41/47/22/405414722.db2.gz SVYRYDWTYSMJDW-JTQLQIEISA-N 1 1 306.288 2.456 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426482465 405363007 /nfs/dbraw/zinc/36/30/07/405363007.db2.gz LFSLZPPOUBYWKH-BXUZGUMPSA-N 1 1 319.361 2.416 20 5 DEBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000426537953 405367662 /nfs/dbraw/zinc/36/76/62/405367662.db2.gz HQQSTZCIYMFLMG-CQSZACIVSA-N 1 1 322.361 2.377 20 5 DEBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492281347 405497342 /nfs/dbraw/zinc/49/73/42/405497342.db2.gz CQJDBWDWCKFZSI-KRYZUYOTSA-N 1 1 321.352 2.298 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCn3c(nnc3C(F)F)C2)cc1 ZINC000556368949 405475474 /nfs/dbraw/zinc/47/54/74/405475474.db2.gz AKXDKNRRWURELO-UHFFFAOYSA-N 1 1 323.303 2.182 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCn3c(nnc3C(F)F)C2)cc1 ZINC000556368949 405475484 /nfs/dbraw/zinc/47/54/84/405475484.db2.gz AKXDKNRRWURELO-UHFFFAOYSA-N 1 1 323.303 2.182 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000421712914 405608461 /nfs/dbraw/zinc/60/84/61/405608461.db2.gz RSGAOYZGQRIFQZ-HNNXBMFYSA-N 1 1 305.378 2.080 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000421748769 405625423 /nfs/dbraw/zinc/62/54/23/405625423.db2.gz NGYBSRUZVMCDDR-GFCCVEGCSA-N 1 1 303.362 2.178 20 5 DEBDMO CCOc1ccc([C@@H](C)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000423336414 405766029 /nfs/dbraw/zinc/76/60/29/405766029.db2.gz GWGVNCHHAFPIQG-SECBINFHSA-N 1 1 303.309 2.238 20 5 DEBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000530674099 405843328 /nfs/dbraw/zinc/84/33/28/405843328.db2.gz PXCDEOHIOSNVIZ-UHFFFAOYSA-N 1 1 320.393 2.024 20 5 DEBDMO COCCC[N@@H+](C)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515432448 406068829 /nfs/dbraw/zinc/06/88/29/406068829.db2.gz DFJYTWLWUOULMI-OAHLLOKOSA-N 1 1 307.394 2.140 20 5 DEBDMO CC(C)O[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000516864714 406107160 /nfs/dbraw/zinc/10/71/60/406107160.db2.gz DYNXIELJCHIKPB-IUODEOHRSA-N 1 1 321.377 2.421 20 5 DEBDMO CC(C)O[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000516864714 406107167 /nfs/dbraw/zinc/10/71/67/406107167.db2.gz DYNXIELJCHIKPB-IUODEOHRSA-N 1 1 321.377 2.421 20 5 DEBDMO Cc1c(CC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000533040306 406115712 /nfs/dbraw/zinc/11/57/12/406115712.db2.gz TXMAYOYCFXOQJE-AWEZNQCLSA-N 1 1 319.405 2.292 20 5 DEBDMO COC(C)(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000533345177 406137997 /nfs/dbraw/zinc/13/79/97/406137997.db2.gz PRNAUWHDNXRYQR-LLVKDONJSA-N 1 1 309.366 2.279 20 5 DEBDMO COc1ccc(CN2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000487968620 406278749 /nfs/dbraw/zinc/27/87/49/406278749.db2.gz GCXQCBJCNPSWLR-OAHLLOKOSA-N 1 1 307.394 2.375 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)n1 ZINC000488715805 406340170 /nfs/dbraw/zinc/34/01/70/406340170.db2.gz BEARPEUWXBWGFG-LALPHHSUSA-N 1 1 304.394 2.465 20 5 DEBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H](C)C1 ZINC000488717599 406340522 /nfs/dbraw/zinc/34/05/22/406340522.db2.gz FAZRINLMFNXNIT-GYSYKLTISA-N 1 1 322.384 2.483 20 5 DEBDMO C[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000571193764 406489902 /nfs/dbraw/zinc/48/99/02/406489902.db2.gz KKSMCSUQWITDFR-FRRDWIJNSA-N 1 1 305.378 2.249 20 5 DEBDMO CC(C)[N@@H+](CC[C@@H]1CCNC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000571773278 406564056 /nfs/dbraw/zinc/56/40/56/406564056.db2.gz BNBZCMYBTQKMCO-AWEZNQCLSA-N 1 1 305.378 2.331 20 5 DEBDMO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000491564433 406624609 /nfs/dbraw/zinc/62/46/09/406624609.db2.gz WZKQJJQSTSQTNM-XYRDXQRHSA-N 1 1 319.336 2.100 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491890422 406765566 /nfs/dbraw/zinc/76/55/66/406765566.db2.gz XRGFMRYJWVDFLO-TXNVCOODSA-N 1 1 321.352 2.300 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491917297 406777939 /nfs/dbraw/zinc/77/79/39/406777939.db2.gz YECBVIPGEQXGDJ-CFHLNLSMSA-N 1 1 303.362 2.066 20 5 DEBDMO C[C@@H]1COCC[N@H+]1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000555877274 406857146 /nfs/dbraw/zinc/85/71/46/406857146.db2.gz CAXQEAKGDXDCEL-CQSZACIVSA-N 1 1 319.405 2.280 20 5 DEBDMO C[C@@H]1COCCN1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000555877274 406857150 /nfs/dbraw/zinc/85/71/50/406857150.db2.gz CAXQEAKGDXDCEL-CQSZACIVSA-N 1 1 319.405 2.280 20 5 DEBDMO C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000130569203 196091287 /nfs/dbraw/zinc/09/12/87/196091287.db2.gz VMRMHBZOWLMVOG-XQQFMLRXSA-N 1 1 305.378 2.472 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000132827585 196288142 /nfs/dbraw/zinc/28/81/42/196288142.db2.gz ZJHMHIZBMRHLHA-LLVKDONJSA-N 1 1 309.341 2.196 20 5 DEBDMO CCOC(=O)c1ccnc(NCC[N@@H+](CC)C2CC2)c1[N+](=O)[O-] ZINC000133980554 196351073 /nfs/dbraw/zinc/35/10/73/196351073.db2.gz WCNBHVSORCSLGA-UHFFFAOYSA-N 1 1 322.365 2.063 20 5 DEBDMO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000295580027 225008262 /nfs/dbraw/zinc/00/82/62/225008262.db2.gz LXHOAKFFHJYCDX-OAHLLOKOSA-N 1 1 321.377 2.300 20 5 DEBDMO CN(C)C(=O)O[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000295580026 225010204 /nfs/dbraw/zinc/01/02/04/225010204.db2.gz LXHOAKFFHJYCDX-HNNXBMFYSA-N 1 1 321.377 2.300 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000192694021 225141000 /nfs/dbraw/zinc/14/10/00/225141000.db2.gz YMQUHBMNXOAHGF-CHWSQXEVSA-N 1 1 307.398 2.040 20 5 DEBDMO CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@H](C)OC ZINC000291112921 222146532 /nfs/dbraw/zinc/14/65/32/222146532.db2.gz SZGKNCDADCYZOF-NSHDSACASA-N 1 1 312.366 2.469 20 5 DEBDMO C[NH+](C)C1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC1 ZINC000600817749 422411957 /nfs/dbraw/zinc/41/19/57/422411957.db2.gz VPFXYUWKHFQPDJ-UHFFFAOYSA-N 1 1 315.333 2.018 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C2(CCCCC2)C1 ZINC000080958971 267378072 /nfs/dbraw/zinc/37/80/72/267378072.db2.gz DOZXJBAZOJXXNZ-UHFFFAOYSA-N 1 1 307.350 2.278 20 5 DEBDMO COCC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000507161453 269315049 /nfs/dbraw/zinc/31/50/49/269315049.db2.gz QPYOLBPISAYPTO-UHFFFAOYSA-N 1 1 310.350 2.223 20 5 DEBDMO COCC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000507161453 269315050 /nfs/dbraw/zinc/31/50/50/269315050.db2.gz QPYOLBPISAYPTO-UHFFFAOYSA-N 1 1 310.350 2.223 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000338686334 274118456 /nfs/dbraw/zinc/11/84/56/274118456.db2.gz FZCZUHVDZMEWTL-LLVKDONJSA-N 1 1 302.334 2.331 20 5 DEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000295266159 274451463 /nfs/dbraw/zinc/45/14/63/274451463.db2.gz RRPKGYOMTNHCQH-OAHLLOKOSA-N 1 1 321.308 2.115 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)cc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000289532588 275035805 /nfs/dbraw/zinc/03/58/05/275035805.db2.gz DVWCRRFZXDLYAJ-UHFFFAOYSA-N 1 1 307.741 2.298 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000161909006 275036779 /nfs/dbraw/zinc/03/67/79/275036779.db2.gz UEWJVFDIWSILCM-IUODEOHRSA-N 1 1 302.378 2.443 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000161909157 275036919 /nfs/dbraw/zinc/03/69/19/275036919.db2.gz UEWJVFDIWSILCM-DOMZBBRYSA-N 1 1 302.378 2.443 20 5 DEBDMO CC1(C)CCC[N@H+]1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000457080760 276106181 /nfs/dbraw/zinc/10/61/81/276106181.db2.gz UYFWZEAYPNNQNZ-UHFFFAOYSA-N 1 1 305.378 2.128 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000294090221 277086463 /nfs/dbraw/zinc/08/64/63/277086463.db2.gz KCCXVTJBEZLHIQ-INIZCTEOSA-N 1 1 321.352 2.292 20 5 DEBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000356841698 278091302 /nfs/dbraw/zinc/09/13/02/278091302.db2.gz GPGJVZTUGUXYHL-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000356841698 278091303 /nfs/dbraw/zinc/09/13/03/278091303.db2.gz GPGJVZTUGUXYHL-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO CC[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000342859571 288026674 /nfs/dbraw/zinc/02/66/74/288026674.db2.gz GUFUKZURTYTWAS-UGFHNGPFSA-N 1 1 305.378 2.360 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000356873797 279082498 /nfs/dbraw/zinc/08/24/98/279082498.db2.gz KMUOTAPKXNSPBQ-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000356873797 279082499 /nfs/dbraw/zinc/08/24/99/279082499.db2.gz KMUOTAPKXNSPBQ-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000408092296 279102604 /nfs/dbraw/zinc/10/26/04/279102604.db2.gz YMOTYRRUBUKBGE-WDEREUQCSA-N 1 1 316.361 2.241 20 5 DEBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000376486583 279376478 /nfs/dbraw/zinc/37/64/78/279376478.db2.gz SJGRXQZMIHKILC-LLVKDONJSA-N 1 1 301.350 2.295 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000351958892 279384671 /nfs/dbraw/zinc/38/46/71/279384671.db2.gz PICOHHSPSUGEHR-GFCCVEGCSA-N 1 1 324.406 2.239 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000332224328 281008491 /nfs/dbraw/zinc/00/84/91/281008491.db2.gz BMCKOHJDFXDJMP-ZFWWWQNUSA-N 1 1 303.362 2.260 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411936290 281021209 /nfs/dbraw/zinc/02/12/09/281021209.db2.gz FLCXYIPOXGKWBV-QWHCGFSZSA-N 1 1 305.378 2.374 20 5 DEBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc([O-])ccc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000339192105 294038286 /nfs/dbraw/zinc/03/82/86/294038286.db2.gz KLUVPGDCARFQNI-VSGLDEAGSA-N 1 1 304.346 2.156 20 5 DEBDMO COc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000194450179 295283019 /nfs/dbraw/zinc/28/30/19/295283019.db2.gz QQPUWECGNZFXFR-AAEUAGOBSA-N 1 1 321.377 2.016 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000573577846 326072213 /nfs/dbraw/zinc/07/22/13/326072213.db2.gz YTJNZBZVLXOGIP-TXEJJXNPSA-N 1 1 320.393 2.191 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000573797101 326092743 /nfs/dbraw/zinc/09/27/43/326092743.db2.gz HGDRSUJMTPJPKT-ZDUSSCGKSA-N 1 1 306.366 2.461 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134295158 501062636 /nfs/dbraw/zinc/06/26/36/501062636.db2.gz RICVCYNCUGUJNY-GFCCVEGCSA-N 1 1 321.352 2.481 20 5 DEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296577632 534095369 /nfs/dbraw/zinc/09/53/69/534095369.db2.gz DNLULKPGDJQAOS-SMDDNHRTSA-N 1 1 307.350 2.428 20 5 DEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296577632 534095382 /nfs/dbraw/zinc/09/53/82/534095382.db2.gz DNLULKPGDJQAOS-SMDDNHRTSA-N 1 1 307.350 2.428 20 5 DEBDMO O=C(CC[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1ccccc1[N+](=O)[O-] ZINC000299270933 534419844 /nfs/dbraw/zinc/41/98/44/534419844.db2.gz KYVKLOUTYJURMO-TXEJJXNPSA-N 1 1 317.345 2.119 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000338425871 519620872 /nfs/dbraw/zinc/62/08/72/519620872.db2.gz RIHHKUATKXPCHG-UHFFFAOYSA-N 1 1 311.407 2.143 20 5 DEBDMO CC(C)c1ccc(C[N@@H+](C)CCNC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000354189254 519835915 /nfs/dbraw/zinc/83/59/15/519835915.db2.gz HPLMEBNRDKYROU-UHFFFAOYSA-N 1 1 322.409 2.421 20 5 DEBDMO CCCC[N@@H+](CCO)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000159094711 520521788 /nfs/dbraw/zinc/52/17/88/520521788.db2.gz OVENWMSLJMCHLU-UHFFFAOYSA-N 1 1 312.366 2.206 20 5 DEBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000338437113 520583011 /nfs/dbraw/zinc/58/30/11/520583011.db2.gz DCWMPFGBYLFMLW-GFCCVEGCSA-N 1 1 308.382 2.307 20 5 DEBDMO CCOc1ccc(C(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000338439755 520909816 /nfs/dbraw/zinc/90/98/16/520909816.db2.gz QYIAZBCNYGXFLB-UHFFFAOYSA-N 1 1 309.366 2.064 20 5 DEBDMO CCNC(=O)[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000339319398 521746531 /nfs/dbraw/zinc/74/65/31/521746531.db2.gz FQYNEJNBLSVXKQ-CYBMUJFWSA-N 1 1 313.785 2.499 20 5 DEBDMO C[N@@H+](CCCn1ccnc1)CCOc1cccc([N+](=O)[O-])c1 ZINC000124422006 522802482 /nfs/dbraw/zinc/80/24/82/522802482.db2.gz INTWVVHNUIUFPD-UHFFFAOYSA-N 1 1 304.350 2.192 20 5 DEBDMO O=C(NCC[NH+]1CCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000337295336 526304826 /nfs/dbraw/zinc/30/48/26/526304826.db2.gz AJBRQBGJYPVTOW-UHFFFAOYSA-N 1 1 317.267 2.049 20 5 DEBDMO CC(=O)c1ccc(N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292386404 527289580 /nfs/dbraw/zinc/28/95/80/527289580.db2.gz SYXKNHUXICOPPO-INIZCTEOSA-N 1 1 303.362 2.329 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364240099 527401233 /nfs/dbraw/zinc/40/12/33/527401233.db2.gz KAHUACKIVFWRGN-UHFFFAOYSA-N 1 1 306.362 2.366 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000356169349 535263711 /nfs/dbraw/zinc/26/37/11/535263711.db2.gz IHVHYHAVJJALMK-NSHDSACASA-N 1 1 310.373 2.484 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000248164080 536380524 /nfs/dbraw/zinc/38/05/24/536380524.db2.gz SPWCSOPLKQBIKU-BXUZGUMPSA-N 1 1 321.352 2.290 20 5 DEBDMO C[N@H+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000492262053 536398761 /nfs/dbraw/zinc/39/87/61/536398761.db2.gz PEDJUOJMWHMYOL-FPLPWBNLSA-N 1 1 303.362 2.161 20 5 DEBDMO C[N@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000492271883 536398939 /nfs/dbraw/zinc/39/89/39/536398939.db2.gz GRWGZVUQGWTEJZ-TWGQIWQCSA-N 1 1 303.362 2.161 20 5 DEBDMO C[N@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H](c2ccccc2)C1 ZINC000371526381 536486673 /nfs/dbraw/zinc/48/66/73/536486673.db2.gz DNWSYXDLDMGDNR-CHWSQXEVSA-N 1 1 315.329 2.015 20 5 DEBDMO Cc1nn(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC001327697294 1148626718 /nfs/dbraw/zinc/62/67/18/1148626718.db2.gz GNHLKEVOBGPEKC-WBMJQRKESA-N 1 1 316.361 2.179 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001327814803 1148649622 /nfs/dbraw/zinc/64/96/22/1148649622.db2.gz PBVYIDIVXZQDJY-LLVKDONJSA-N 1 1 321.381 2.030 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933063615 624055491 /nfs/dbraw/zinc/05/54/91/624055491.db2.gz OMTOKLKMDGANNF-AWEZNQCLSA-N 1 1 324.352 2.240 20 5 DEBDMO COc1c(O)ccc(CN2CCC[N@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000891439833 624176087 /nfs/dbraw/zinc/17/60/87/624176087.db2.gz DLCGWKMXTILTAM-UHFFFAOYSA-N 1 1 323.393 2.225 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000892065280 624767328 /nfs/dbraw/zinc/76/73/28/624767328.db2.gz LDFOVCFZDINLKT-JQWIXIFHSA-N 1 1 310.350 2.044 20 5 DEBDMO COc1c(O)ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892104710 624783282 /nfs/dbraw/zinc/78/32/82/624783282.db2.gz DZVRTDAXVXQHPX-WCQYABFASA-N 1 1 323.393 2.224 20 5 DEBDMO C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000892329819 625126183 /nfs/dbraw/zinc/12/61/83/625126183.db2.gz CYYYEIGQHFJSIS-CHWSQXEVSA-N 1 1 320.393 2.092 20 5 DEBDMO CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001026142170 625153040 /nfs/dbraw/zinc/15/30/40/625153040.db2.gz JOHHNLJORFZKOY-NHAGDIPZSA-N 1 1 317.389 2.187 20 5 DEBDMO COCCCOCC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000091102575 634324997 /nfs/dbraw/zinc/32/49/97/634324997.db2.gz UKTHGRMBXPJEBG-UHFFFAOYSA-N 1 1 300.330 2.219 20 5 DEBDMO COCCCOCC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000091102575 634325003 /nfs/dbraw/zinc/32/50/03/634325003.db2.gz UKTHGRMBXPJEBG-UHFFFAOYSA-N 1 1 300.330 2.219 20 5 DEBDMO C/C(=C/C(=O)NC1C[NH+](C(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000837544265 650216178 /nfs/dbraw/zinc/21/61/78/650216178.db2.gz IBYFYQALNUXJFM-WQLSENKSSA-N 1 1 303.362 2.207 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C3OCCO3)C2)ccc1Cl ZINC000932003380 635926869 /nfs/dbraw/zinc/92/68/69/635926869.db2.gz QEUADVRVPYOUNS-NSHDSACASA-N 1 1 312.753 2.443 20 5 DEBDMO CCN1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000922639088 636290766 /nfs/dbraw/zinc/29/07/66/636290766.db2.gz HCFZBFDJNXZPBX-CYBMUJFWSA-N 1 1 311.769 2.349 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000923315829 637105862 /nfs/dbraw/zinc/10/58/62/637105862.db2.gz MTPVEHXMYRABFO-XJAWQDFRSA-N 1 1 315.373 2.303 20 5 DEBDMO C[N@H+]1C[C@@]2(C)CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894801342 637214523 /nfs/dbraw/zinc/21/45/23/637214523.db2.gz HVLQYFPTXHWFOV-GASCZTMLSA-N 1 1 320.349 2.281 20 5 DEBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928438908 637236781 /nfs/dbraw/zinc/23/67/81/637236781.db2.gz NDNFNNVMZZMDIV-SRDIGTRLSA-N 1 1 303.362 2.207 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000840655145 650343995 /nfs/dbraw/zinc/34/39/95/650343995.db2.gz FJIDIXCRRNBZGR-LSDHHAIUSA-N 1 1 315.329 2.447 20 5 DEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000839416650 637871060 /nfs/dbraw/zinc/87/10/60/637871060.db2.gz NLPOXEAJCGXQEU-LLVKDONJSA-N 1 1 309.341 2.290 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000839416650 637871064 /nfs/dbraw/zinc/87/10/64/637871064.db2.gz NLPOXEAJCGXQEU-LLVKDONJSA-N 1 1 309.341 2.290 20 5 DEBDMO Cc1[nH+]ccn1CCCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000742007567 638030612 /nfs/dbraw/zinc/03/06/12/638030612.db2.gz MMKQJZZMKPEHIT-UHFFFAOYSA-N 1 1 316.361 2.239 20 5 DEBDMO CCOC(=O)Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895734988 638176851 /nfs/dbraw/zinc/17/68/51/638176851.db2.gz BHKCZVIVDRQNNL-WCQYABFASA-N 1 1 321.377 2.205 20 5 DEBDMO Cc1cc(F)ncc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000895751776 638180603 /nfs/dbraw/zinc/18/06/03/638180603.db2.gz BPUBBYGXRADCCA-MRXNPFEDSA-N 1 1 319.336 2.435 20 5 DEBDMO Cc1cccc(C(=O)OC[C@H]2C[N@H+](C(C)C)CCO2)c1[N+](=O)[O-] ZINC000753949453 639365231 /nfs/dbraw/zinc/36/52/31/639365231.db2.gz KBUIOOJBMDFYIH-CYBMUJFWSA-N 1 1 322.361 2.169 20 5 DEBDMO Cc1cccc(C(=O)OC[C@H]2C[N@@H+](C(C)C)CCO2)c1[N+](=O)[O-] ZINC000753949453 639365238 /nfs/dbraw/zinc/36/52/38/639365238.db2.gz KBUIOOJBMDFYIH-CYBMUJFWSA-N 1 1 322.361 2.169 20 5 DEBDMO COC(C)(C)C[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000758404026 639956186 /nfs/dbraw/zinc/95/61/86/639956186.db2.gz FHMGICAIHQUGHK-UHFFFAOYSA-N 1 1 319.365 2.168 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000758508842 639967545 /nfs/dbraw/zinc/96/75/45/639967545.db2.gz UDQNXCDBBLOYNY-JQWIXIFHSA-N 1 1 309.341 2.255 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000758598429 639977475 /nfs/dbraw/zinc/97/74/75/639977475.db2.gz XZTDTSZTNBMWSO-YGRLFVJLSA-N 1 1 321.352 2.255 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](OCCO)C2)cc1Cl ZINC000761511171 640319667 /nfs/dbraw/zinc/31/96/67/640319667.db2.gz KMOMMELCDNUUMI-LBPRGKRZSA-N 1 1 314.769 2.222 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)cc1Cl ZINC000761511171 640319671 /nfs/dbraw/zinc/31/96/71/640319671.db2.gz KMOMMELCDNUUMI-LBPRGKRZSA-N 1 1 314.769 2.222 20 5 DEBDMO COC[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765024580 640726762 /nfs/dbraw/zinc/72/67/62/640726762.db2.gz GDGSJOVLGAYQOO-LBPRGKRZSA-N 1 1 304.350 2.179 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1C ZINC000765635946 640802965 /nfs/dbraw/zinc/80/29/65/640802965.db2.gz OKGXAAWJTLNEJR-NXEZZACHSA-N 1 1 305.338 2.050 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1C ZINC000765635948 640803014 /nfs/dbraw/zinc/80/30/14/640803014.db2.gz OKGXAAWJTLNEJR-VHSXEESVSA-N 1 1 305.338 2.050 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765789567 640818880 /nfs/dbraw/zinc/81/88/80/640818880.db2.gz BAOGPMUHEMQCQR-NUEKZKHPSA-N 1 1 319.405 2.417 20 5 DEBDMO COc1nn(C)cc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000898029061 641005111 /nfs/dbraw/zinc/00/51/11/641005111.db2.gz DWQIIQBIGWLUJU-UHFFFAOYSA-N 1 1 310.741 2.280 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000768526926 641092777 /nfs/dbraw/zinc/09/27/77/641092777.db2.gz RZCXVDXSBCZGDA-GHMZBOCLSA-N 1 1 318.377 2.008 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000771401316 641506023 /nfs/dbraw/zinc/50/60/23/641506023.db2.gz BXYYUPATLFLGLF-WDEREUQCSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000771401316 641506027 /nfs/dbraw/zinc/50/60/27/641506027.db2.gz BXYYUPATLFLGLF-WDEREUQCSA-N 1 1 309.341 2.207 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000774516032 641914175 /nfs/dbraw/zinc/91/41/75/641914175.db2.gz NIYJYGWTSRYPIQ-MRXNPFEDSA-N 1 1 305.378 2.286 20 5 DEBDMO C[N@@H+]1CCC[C@H]1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000899219092 641992374 /nfs/dbraw/zinc/99/23/74/641992374.db2.gz PEVZEGGXTDLKJQ-ZDUSSCGKSA-N 1 1 300.318 2.176 20 5 DEBDMO C[N@H+]1CCC[C@H]1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000899219092 641992377 /nfs/dbraw/zinc/99/23/77/641992377.db2.gz PEVZEGGXTDLKJQ-ZDUSSCGKSA-N 1 1 300.318 2.176 20 5 DEBDMO COC(=O)CC[N@@H+](CC(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579932 642187473 /nfs/dbraw/zinc/18/74/73/642187473.db2.gz PRRWWSRWIPFPTF-HNNXBMFYSA-N 1 1 324.377 2.149 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCO)C2CCCCC2)cc1 ZINC000776590954 642189733 /nfs/dbraw/zinc/18/97/33/642189733.db2.gz MPOLTYFFFDODFR-MRXNPFEDSA-N 1 1 308.378 2.255 20 5 DEBDMO C[C@@]1(CCCO)CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776595855 642190381 /nfs/dbraw/zinc/19/03/81/642190381.db2.gz BSGRBQKQICKPDQ-CVEARBPZSA-N 1 1 308.378 2.255 20 5 DEBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@@H]1O ZINC000778247556 642360499 /nfs/dbraw/zinc/36/04/99/642360499.db2.gz XTOOYMSFANCNEI-BPUTZDHNSA-N 1 1 308.378 2.111 20 5 DEBDMO Cc1nn(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c(C)c1[N+](=O)[O-] ZINC000782286435 642854669 /nfs/dbraw/zinc/85/46/69/642854669.db2.gz AKXLWZVMEUJOFH-OAHLLOKOSA-N 1 1 315.377 2.325 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c(C)c1[N+](=O)[O-] ZINC000782286435 642854675 /nfs/dbraw/zinc/85/46/75/642854675.db2.gz AKXLWZVMEUJOFH-OAHLLOKOSA-N 1 1 315.377 2.325 20 5 DEBDMO NC(C[NH+]1CCCCC1)=NOCc1ccc([N+](=O)[O-])cc1F ZINC000902655977 643096389 /nfs/dbraw/zinc/09/63/89/643096389.db2.gz BAVCSNLXXRJDSU-UHFFFAOYSA-N 1 1 310.329 2.218 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)cc1F ZINC000903024021 643228824 /nfs/dbraw/zinc/22/88/24/643228824.db2.gz SBFAJVZMEKEHII-LBPRGKRZSA-N 1 1 317.324 2.210 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)cc1F ZINC000903024021 643228828 /nfs/dbraw/zinc/22/88/28/643228828.db2.gz SBFAJVZMEKEHII-LBPRGKRZSA-N 1 1 317.324 2.210 20 5 DEBDMO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1=O ZINC000903388215 643337880 /nfs/dbraw/zinc/33/78/80/643337880.db2.gz LTKHDKOGBQVPLP-BXUZGUMPSA-N 1 1 321.377 2.265 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@H]1C[NH3+] ZINC000904411509 643661976 /nfs/dbraw/zinc/66/19/76/643661976.db2.gz LIKRKWNKBNEEDS-UWVGGRQHSA-N 1 1 313.785 2.371 20 5 DEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CCC1(O)CCC1 ZINC000905908014 644079442 /nfs/dbraw/zinc/07/94/42/644079442.db2.gz XSIVLLFISIUWCD-AWEZNQCLSA-N 1 1 308.378 2.083 20 5 DEBDMO CO[C@]1(C)CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000794654233 644453862 /nfs/dbraw/zinc/45/38/62/644453862.db2.gz GWWPPHSRVNBPHE-OAHLLOKOSA-N 1 1 304.350 2.403 20 5 DEBDMO CO[C@]1(C)CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000794654233 644453864 /nfs/dbraw/zinc/45/38/64/644453864.db2.gz GWWPPHSRVNBPHE-OAHLLOKOSA-N 1 1 304.350 2.403 20 5 DEBDMO O=[N+]([O-])c1ccc(NC(=S)NCC[N@@H+]2CC=CCC2)cc1 ZINC000795015800 644508935 /nfs/dbraw/zinc/50/89/35/644508935.db2.gz UEXCNWVDGRGUOP-UHFFFAOYSA-N 1 1 306.391 2.143 20 5 DEBDMO CO[C@@H](C)C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796641182 644770378 /nfs/dbraw/zinc/77/03/78/644770378.db2.gz JRDUMJSDGBQUIK-VIFPVBQESA-N 1 1 315.757 2.153 20 5 DEBDMO CO[C@@H](C)C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796641182 644770382 /nfs/dbraw/zinc/77/03/82/644770382.db2.gz JRDUMJSDGBQUIK-VIFPVBQESA-N 1 1 315.757 2.153 20 5 DEBDMO O=[N+]([O-])CC[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000798194428 644982447 /nfs/dbraw/zinc/98/24/47/644982447.db2.gz CPCUAQLFPADBSD-UHFFFAOYSA-N 1 1 307.177 2.455 20 5 DEBDMO O=[N+]([O-])CC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000798194428 644982451 /nfs/dbraw/zinc/98/24/51/644982451.db2.gz CPCUAQLFPADBSD-UHFFFAOYSA-N 1 1 307.177 2.455 20 5 DEBDMO CSCCC[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000799159118 645135473 /nfs/dbraw/zinc/13/54/73/645135473.db2.gz BXBBTAJKTHXAGV-UHFFFAOYSA-N 1 1 321.406 2.496 20 5 DEBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801524992 645409089 /nfs/dbraw/zinc/40/90/89/645409089.db2.gz OLXOVWWYNKXQRI-ZDUSSCGKSA-N 1 1 309.341 2.034 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000801600362 645422261 /nfs/dbraw/zinc/42/22/61/645422261.db2.gz OYXMEPDCVHWIIG-AWEZNQCLSA-N 1 1 304.346 2.165 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000843800987 651031879 /nfs/dbraw/zinc/03/18/79/651031879.db2.gz XMESHXFSJQCVQV-GFCCVEGCSA-N 1 1 323.368 2.456 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000843805947 651033072 /nfs/dbraw/zinc/03/30/72/651033072.db2.gz PYYOGDSLDOBODH-KOLCDFICSA-N 1 1 309.341 2.255 20 5 DEBDMO C[C@@H]1C[C@@H](C)[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840010300 645675386 /nfs/dbraw/zinc/67/53/86/645675386.db2.gz VKAYFXLTMRLMQF-XHBSWPGZSA-N 1 1 319.361 2.220 20 5 DEBDMO C[C@@H]1C[C@@H](C)[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840010300 645675390 /nfs/dbraw/zinc/67/53/90/645675390.db2.gz VKAYFXLTMRLMQF-XHBSWPGZSA-N 1 1 319.361 2.220 20 5 DEBDMO C[C@@H]1C[C@H](C)[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840010298 645675449 /nfs/dbraw/zinc/67/54/49/645675449.db2.gz VKAYFXLTMRLMQF-WQGACYEGSA-N 1 1 319.361 2.220 20 5 DEBDMO C[C@@H]1C[C@H](C)[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840010298 645675452 /nfs/dbraw/zinc/67/54/52/645675452.db2.gz VKAYFXLTMRLMQF-WQGACYEGSA-N 1 1 319.361 2.220 20 5 DEBDMO CCCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000843991494 651059628 /nfs/dbraw/zinc/05/96/28/651059628.db2.gz KYUGMYANPJLCQX-GFCCVEGCSA-N 1 1 309.341 2.290 20 5 DEBDMO CO[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000840125537 646008710 /nfs/dbraw/zinc/00/87/10/646008710.db2.gz MMHGKKXPYVPWHU-ABAIWWIYSA-N 1 1 304.350 2.259 20 5 DEBDMO CCOC1CC([N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000808212090 646056760 /nfs/dbraw/zinc/05/67/60/646056760.db2.gz JCJRQXJKUNBPQZ-UHFFFAOYSA-N 1 1 319.365 2.105 20 5 DEBDMO [NH3+]CCN(Cc1[nH]nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000809735202 646271095 /nfs/dbraw/zinc/27/10/95/646271095.db2.gz UZLGUUGEIAJGJS-UHFFFAOYSA-N 1 1 311.345 2.436 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000810244924 646344038 /nfs/dbraw/zinc/34/40/38/646344038.db2.gz KCZUMCHQPWODJN-INIZCTEOSA-N 1 1 323.368 2.424 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@H](n4cccn4)C3)c2c1 ZINC000812294517 646626916 /nfs/dbraw/zinc/62/69/16/646626916.db2.gz OXCKERVIPBJWMC-CQSZACIVSA-N 1 1 312.333 2.046 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H](n4cccn4)C3)c2c1 ZINC000812294517 646626919 /nfs/dbraw/zinc/62/69/19/646626919.db2.gz OXCKERVIPBJWMC-CQSZACIVSA-N 1 1 312.333 2.046 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812331317 646636762 /nfs/dbraw/zinc/63/67/62/646636762.db2.gz VCMWATMPIIHDRW-PWSUYJOCSA-N 1 1 323.780 2.272 20 5 DEBDMO C[N@@H+](CCc1ccncc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351120 646725284 /nfs/dbraw/zinc/72/52/84/646725284.db2.gz SDSHERKGZLSQJK-MRXNPFEDSA-N 1 1 301.346 2.198 20 5 DEBDMO C[C@@H]1C[C@H]1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171345 646742831 /nfs/dbraw/zinc/74/28/31/646742831.db2.gz UUHRTZYFJZURSO-BYCMXARLSA-N 1 1 304.346 2.368 20 5 DEBDMO C[C@@H]1C[C@H]1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171345 646742834 /nfs/dbraw/zinc/74/28/34/646742834.db2.gz UUHRTZYFJZURSO-BYCMXARLSA-N 1 1 304.346 2.368 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCCCCCO)C2)nc1 ZINC000173474821 646770367 /nfs/dbraw/zinc/77/03/67/646770367.db2.gz JHCAHLDHPHERNT-CQSZACIVSA-N 1 1 322.409 2.419 20 5 DEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000816952958 647205109 /nfs/dbraw/zinc/20/51/09/647205109.db2.gz WLBADUKZJDQVGI-CABZTGNLSA-N 1 1 309.753 2.024 20 5 DEBDMO CCn1nc(C)c(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000818222084 647436129 /nfs/dbraw/zinc/43/61/29/647436129.db2.gz VWLSTPNOKABMTF-VURMDHGXSA-N 1 1 301.350 2.318 20 5 DEBDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818971750 647553826 /nfs/dbraw/zinc/55/38/26/647553826.db2.gz AHYJNSPGBDZETL-JKIFEVAISA-N 1 1 321.421 2.338 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818971750 647553831 /nfs/dbraw/zinc/55/38/31/647553831.db2.gz AHYJNSPGBDZETL-JKIFEVAISA-N 1 1 321.421 2.338 20 5 DEBDMO C[C@@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000818980552 647556700 /nfs/dbraw/zinc/55/67/00/647556700.db2.gz KYZKBDXCHRMTOF-YOEHRIQHSA-N 1 1 321.421 2.338 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000819174824 647601029 /nfs/dbraw/zinc/60/10/29/647601029.db2.gz YEBBCVYZCROSSA-ZIAGYGMSSA-N 1 1 302.334 2.019 20 5 DEBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000732960515 647775167 /nfs/dbraw/zinc/77/51/67/647775167.db2.gz MSUCOIGENRBBHD-UHFFFAOYSA-N 1 1 320.324 2.484 20 5 DEBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000820688479 647896428 /nfs/dbraw/zinc/89/64/28/647896428.db2.gz SMTQDAAYNGZBDY-SHUKQUCYSA-N 1 1 317.389 2.249 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822529479 648226326 /nfs/dbraw/zinc/22/63/26/648226326.db2.gz ZPGKXMXTSRPBGH-AWEZNQCLSA-N 1 1 313.442 2.450 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823938172 648501888 /nfs/dbraw/zinc/50/18/88/648501888.db2.gz ANFLTARUVWETIM-NSHDSACASA-N 1 1 323.397 2.419 20 5 DEBDMO C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000828258639 649156157 /nfs/dbraw/zinc/15/61/57/649156157.db2.gz FRPHKZZHMCQBNH-LBPRGKRZSA-N 1 1 315.377 2.163 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000831778028 649641644 /nfs/dbraw/zinc/64/16/44/649641644.db2.gz IJSCXADZZHCLID-HUUCEWRRSA-N 1 1 308.403 2.456 20 5 DEBDMO COC[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000112960189 651614427 /nfs/dbraw/zinc/61/44/27/651614427.db2.gz WAKDBQQXTABEMA-LBPRGKRZSA-N 1 1 304.350 2.260 20 5 DEBDMO Cc1noc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1[N+](=O)[O-] ZINC000851989211 652303756 /nfs/dbraw/zinc/30/37/56/652303756.db2.gz HJBOZQGQTCNRIQ-LLVKDONJSA-N 1 1 305.338 2.004 20 5 DEBDMO Cc1noc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1[N+](=O)[O-] ZINC000851989211 652303759 /nfs/dbraw/zinc/30/37/59/652303759.db2.gz HJBOZQGQTCNRIQ-LLVKDONJSA-N 1 1 305.338 2.004 20 5 DEBDMO C[C@@]1(C2CC2)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000852322653 652385317 /nfs/dbraw/zinc/38/53/17/652385317.db2.gz OUUCGFWDRCLETO-HOTGVXAUSA-N 1 1 306.362 2.129 20 5 DEBDMO C[C@@]1(C2CC2)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000852322653 652385321 /nfs/dbraw/zinc/38/53/21/652385321.db2.gz OUUCGFWDRCLETO-HOTGVXAUSA-N 1 1 306.362 2.129 20 5 DEBDMO Cc1noc(COC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000853913615 652620885 /nfs/dbraw/zinc/62/08/85/652620885.db2.gz ABRVAHGBEYUJOO-GFCCVEGCSA-N 1 1 323.349 2.341 20 5 DEBDMO Cc1noc(COC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000853913615 652620888 /nfs/dbraw/zinc/62/08/88/652620888.db2.gz ABRVAHGBEYUJOO-GFCCVEGCSA-N 1 1 323.349 2.341 20 5 DEBDMO C[C@H]1[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[N@H+]1C ZINC000928428503 693776189 /nfs/dbraw/zinc/77/61/89/693776189.db2.gz XNSMGBOLFDYZRN-SWLSCSKDSA-N 1 1 317.389 2.225 20 5 DEBDMO O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929488751 693966417 /nfs/dbraw/zinc/96/64/17/693966417.db2.gz GFYMILZNUHJDJM-AWEZNQCLSA-N 1 1 323.780 2.364 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000859925704 685855139 /nfs/dbraw/zinc/85/51/39/685855139.db2.gz SFPQRGUCISBUGY-SWLSCSKDSA-N 1 1 321.333 2.097 20 5 DEBDMO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000860176702 685896177 /nfs/dbraw/zinc/89/61/77/685896177.db2.gz HSCVGGXYGGXHFQ-CYBMUJFWSA-N 1 1 309.341 2.225 20 5 DEBDMO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000860176702 685896181 /nfs/dbraw/zinc/89/61/81/685896181.db2.gz HSCVGGXYGGXHFQ-CYBMUJFWSA-N 1 1 309.341 2.225 20 5 DEBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCF)CC1 ZINC000862110969 686237260 /nfs/dbraw/zinc/23/72/60/686237260.db2.gz DNJKPEAZTPVJJC-QPJJXVBHSA-N 1 1 321.352 2.112 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000930317593 694135327 /nfs/dbraw/zinc/13/53/27/694135327.db2.gz VHGHYAGJVOBXGV-NWDGAFQWSA-N 1 1 306.366 2.426 20 5 DEBDMO Cc1ccc(CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000868626411 688082196 /nfs/dbraw/zinc/08/21/96/688082196.db2.gz JGORIPUOTVQZGV-CYBMUJFWSA-N 1 1 322.409 2.431 20 5 DEBDMO C[C@@]([NH3+])(C(=O)N1CCC(C)(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000870879618 688676287 /nfs/dbraw/zinc/67/62/87/688676287.db2.gz KLANXPUXZPSNFO-INIZCTEOSA-N 1 1 305.378 2.417 20 5 DEBDMO C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000870911599 688684879 /nfs/dbraw/zinc/68/48/79/688684879.db2.gz YPDIUBUFYHOSAE-XHBSWPGZSA-N 1 1 305.378 2.273 20 5 DEBDMO COc1c(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000871156666 688738891 /nfs/dbraw/zinc/73/88/91/688738891.db2.gz HZYFDYIBNMQXKO-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036475 688917589 /nfs/dbraw/zinc/91/75/89/688917589.db2.gz SLBNQRZAPSIOHI-NEPJUHHUSA-N 1 1 312.341 2.438 20 5 DEBDMO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043921 688918286 /nfs/dbraw/zinc/91/82/86/688918286.db2.gz ODSAPLPZWCLAGO-NXEZZACHSA-N 1 1 318.370 2.208 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](OC3CCC3)CC2)n1 ZINC000872278147 688972105 /nfs/dbraw/zinc/97/21/05/688972105.db2.gz HWLQSKJJPOIVNC-AWEZNQCLSA-N 1 1 308.382 2.215 20 5 DEBDMO CC(C)[C@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000872738512 689080267 /nfs/dbraw/zinc/08/02/67/689080267.db2.gz KICWAKUACPBNSE-MRXNPFEDSA-N 1 1 317.393 2.174 20 5 DEBDMO Cc1c(CNCC2([NH+](C)C)CCOCC2)cccc1[N+](=O)[O-] ZINC000873050772 689148658 /nfs/dbraw/zinc/14/86/58/689148658.db2.gz SADQYVAOGNPBCL-UHFFFAOYSA-N 1 1 307.394 2.104 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC1([NH+](C)C)CCOCC1 ZINC000873049894 689148668 /nfs/dbraw/zinc/14/86/68/689148668.db2.gz HMXQCJFTBGBSLX-UHFFFAOYSA-N 1 1 321.421 2.412 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@H]1C ZINC000930913480 694271545 /nfs/dbraw/zinc/27/15/45/694271545.db2.gz XMWOXSAVTZJQQY-JTNHKYCSSA-N 1 1 321.377 2.078 20 5 DEBDMO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000930918610 694273340 /nfs/dbraw/zinc/27/33/40/694273340.db2.gz OXRATVOBVXXZHN-LALPHHSUSA-N 1 1 305.378 2.112 20 5 DEBDMO 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CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001119386492 795295781 /nfs/dbraw/zinc/29/57/81/795295781.db2.gz KAQYECUYBLLMAJ-LLVKDONJSA-N 1 1 310.329 2.292 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC001181841043 795548287 /nfs/dbraw/zinc/54/82/87/795548287.db2.gz VJAUSQUACFBGFM-LLVKDONJSA-N 1 1 316.361 2.242 20 5 DEBDMO CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087566 795588679 /nfs/dbraw/zinc/58/86/79/795588679.db2.gz NTSATELWWTWJEV-KDUKZITGSA-N 1 1 323.437 2.249 20 5 DEBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001122277104 795743205 /nfs/dbraw/zinc/74/32/05/795743205.db2.gz LIHRUWAZXWKYJH-AWEZNQCLSA-N 1 1 320.393 2.221 20 5 DEBDMO CCc1[nH+]ccn1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC001187615822 796555852 /nfs/dbraw/zinc/55/58/52/796555852.db2.gz PWSSXEVWDHGHKJ-UHFFFAOYSA-N 1 1 306.351 2.175 20 5 DEBDMO CCOc1nc(NCc2ccc(N)[nH+]c2C)ccc1[N+](=O)[O-] ZINC001156980626 798122386 /nfs/dbraw/zinc/12/23/86/798122386.db2.gz KOLBWONUOHIBJY-UHFFFAOYSA-N 1 1 303.322 2.286 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(NCC[NH+]2CCSCC2)nc1Cl ZINC001157043197 798132190 /nfs/dbraw/zinc/13/21/90/798132190.db2.gz FPEWNEMOIZICKQ-UHFFFAOYSA-N 1 1 316.814 2.412 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC=CC12CCCCC2 ZINC001198801635 798399430 /nfs/dbraw/zinc/39/94/30/798399430.db2.gz UMJDHESODQOZFD-UHFFFAOYSA-N 1 1 303.362 2.331 20 5 DEBDMO CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200472602 798644127 /nfs/dbraw/zinc/64/41/27/798644127.db2.gz RSQBUIGASXAQQU-ZIAGYGMSSA-N 1 1 311.426 2.059 20 5 DEBDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001160469585 798693691 /nfs/dbraw/zinc/69/36/91/798693691.db2.gz XGSFSOMYUOPTEE-RTCCRHLQSA-N 1 1 321.337 2.325 20 5 DEBDMO Cc1ccc2c(ccnc2NC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001162682948 799146563 /nfs/dbraw/zinc/14/65/63/799146563.db2.gz LSTLOUWRXOVIJK-LBPRGKRZSA-N 1 1 316.361 2.194 20 5 DEBDMO Cc1ccc2c(ccnc2NC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001162682948 799146566 /nfs/dbraw/zinc/14/65/66/799146566.db2.gz LSTLOUWRXOVIJK-LBPRGKRZSA-N 1 1 316.361 2.194 20 5 DEBDMO [NH3+][C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CCC1(F)F ZINC001164322805 799571245 /nfs/dbraw/zinc/57/12/45/799571245.db2.gz FJSHHFSTVPFBKD-GFCCVEGCSA-N 1 1 308.288 2.316 20 5 DEBDMO C[NH+](C)/C=C/c1cc(N2CC[C@@]3(CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165255739 799687695 /nfs/dbraw/zinc/68/76/95/799687695.db2.gz XTEDPKKIJLXUHT-WUTVXBCWSA-N 1 1 318.377 2.139 20 5 DEBDMO COc1nc(C)c(NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001165278871 799695171 /nfs/dbraw/zinc/69/51/71/799695171.db2.gz MYMLDOSRJLZZBM-LBPRGKRZSA-N 1 1 308.382 2.451 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000932728132 799911909 /nfs/dbraw/zinc/91/19/09/799911909.db2.gz DAEOSNLRUCEUDA-CABCVRRESA-N 1 1 305.378 2.155 20 5 DEBDMO CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000933485710 800107119 /nfs/dbraw/zinc/10/71/19/800107119.db2.gz KFDSACHXMBUTFE-HRCADAONSA-N 1 1 317.389 2.251 20 5 DEBDMO COc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1C ZINC000933484931 800107377 /nfs/dbraw/zinc/10/73/77/800107377.db2.gz UUGAMOFENDFEAI-LLVKDONJSA-N 1 1 304.350 2.496 20 5 DEBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000933750981 800177972 /nfs/dbraw/zinc/17/79/72/800177972.db2.gz COXKXPVMYQBORA-NHYWBVRUSA-N 1 1 323.780 2.336 20 5 DEBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000934116103 800265538 /nfs/dbraw/zinc/26/55/38/800265538.db2.gz FCHBSNCRBVAERF-GJZGRUSLSA-N 1 1 321.377 2.341 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935747954 800755870 /nfs/dbraw/zinc/75/58/70/800755870.db2.gz CASDZPSCEXKYDV-JKSUJKDBSA-N 1 1 315.373 2.076 20 5 DEBDMO C[N@H+]1CCC[C@@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)CC1 ZINC001229367488 801265015 /nfs/dbraw/zinc/26/50/15/801265015.db2.gz NEUYBBAXKGJHIA-SNVBAGLBSA-N 1 1 318.333 2.107 20 5 DEBDMO COc1ncc(Nc2cc[nH+]c(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC001210136038 801339391 /nfs/dbraw/zinc/33/93/91/801339391.db2.gz FFIZLKSCJCCUDG-UHFFFAOYSA-N 1 1 303.278 2.095 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230516933 801409931 /nfs/dbraw/zinc/40/99/31/801409931.db2.gz VJJCWBVUBDQOJE-MRVPVSSYSA-N 1 1 316.321 2.026 20 5 DEBDMO O=[N+]([O-])c1cc2cn[nH]c2cc1OC1CC[NH+](C2CC2)CC1 ZINC001230601611 801434226 /nfs/dbraw/zinc/43/42/26/801434226.db2.gz OSRVTZSZWSZTEI-UHFFFAOYSA-N 1 1 302.334 2.477 20 5 DEBDMO CC1(C)C[NH2+]CC[C@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001218313169 802166542 /nfs/dbraw/zinc/16/65/42/802166542.db2.gz ZUROJJYIEFBZKN-GFCCVEGCSA-N 1 1 318.333 2.011 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CO[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001224707988 802897283 /nfs/dbraw/zinc/89/72/83/802897283.db2.gz VCKBVXJRVGHLRI-GJZGRUSLSA-N 1 1 320.393 2.069 20 5 DEBDMO CC(C)(C)[NH+]1CC(OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224986363 802923977 /nfs/dbraw/zinc/92/39/77/802923977.db2.gz GFESDNJCUPDGGJ-UHFFFAOYSA-N 1 1 322.361 2.137 20 5 DEBDMO Cc1cc2[nH]c(O[C@@H]3CCc4[nH+]ccn4C3)nc2cc1[N+](=O)[O-] ZINC001228672746 803391332 /nfs/dbraw/zinc/39/13/32/803391332.db2.gz AICBYJRKIKYCPJ-SNVBAGLBSA-N 1 1 313.317 2.370 20 5 DEBDMO COc1c(O)ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001334286846 1150258543 /nfs/dbraw/zinc/25/85/43/1150258543.db2.gz HHMQMJHZTDAXHB-AAEUAGOBSA-N 1 1 323.393 2.081 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC001328454640 1148796383 /nfs/dbraw/zinc/79/63/83/1148796383.db2.gz HILZUFPVPLYIPX-LBPRGKRZSA-N 1 1 320.393 2.050 20 5 DEBDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])CC1CCCC1 ZINC001604807768 1070499594 /nfs/dbraw/zinc/49/95/94/1070499594.db2.gz UYIAOUHYEPZAAH-UHFFFAOYSA-N 1 1 316.365 2.397 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC001460228824 1058283723 /nfs/dbraw/zinc/28/37/23/1058283723.db2.gz KJTAUFQPDFSLJA-YGRLFVJLSA-N 1 1 321.402 2.093 20 5 DEBDMO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC001460599547 1058479340 /nfs/dbraw/zinc/47/93/40/1058479340.db2.gz DKTRBVFEESAPSE-MRVPVSSYSA-N 1 1 320.374 2.309 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1F ZINC001463123859 1058936709 /nfs/dbraw/zinc/93/67/09/1058936709.db2.gz AGYWLWWDFMOOSF-BZNIZROVSA-N 1 1 321.352 2.066 20 5 DEBDMO CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001502779377 1060293694 /nfs/dbraw/zinc/29/36/94/1060293694.db2.gz WVSSDQHEGDIJRQ-JBZXTQMFSA-N 1 1 323.437 2.369 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CC)C2)cc1[N+](=O)[O-] ZINC001472448015 1060510392 /nfs/dbraw/zinc/51/03/92/1060510392.db2.gz LGGMDTIORWEGEC-CYBMUJFWSA-N 1 1 321.377 2.160 20 5 DEBDMO C/C=C(\C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001480390856 1062780790 /nfs/dbraw/zinc/78/07/90/1062780790.db2.gz SAPILEWOZVXSCV-ZNMKPQBCSA-N 1 1 315.373 2.107 20 5 DEBDMO CC(C)(C)CC[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001495161010 1064736524 /nfs/dbraw/zinc/73/65/24/1064736524.db2.gz RHYUQTDGWGDKAI-CHWSQXEVSA-N 1 1 311.426 2.106 20 5 DEBDMO CC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC001577162342 1066776952 /nfs/dbraw/zinc/77/69/52/1066776952.db2.gz VTGQTOGXCBISSR-MNOVXSKESA-N 1 1 316.365 2.395 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CO)C2)c(Br)c1 ZINC000051887276 1078517008 /nfs/dbraw/zinc/51/70/08/1078517008.db2.gz FDRWZDRAGKTUMS-VIFPVBQESA-N 1 1 315.167 2.172 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CO)C2)c(Br)c1 ZINC000051887276 1078517014 /nfs/dbraw/zinc/51/70/14/1078517014.db2.gz FDRWZDRAGKTUMS-VIFPVBQESA-N 1 1 315.167 2.172 20 5 DEBDMO Cc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(C)[nH+]1 ZINC001638892652 1078585072 /nfs/dbraw/zinc/58/50/72/1078585072.db2.gz GBABHQHXVJRHFU-UHFFFAOYSA-N 1 1 302.334 2.482 20 5 DEBDMO CC/C=C(/C)C(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001267188211 1078651977 /nfs/dbraw/zinc/65/19/77/1078651977.db2.gz MLHISAHXHPSWIX-MLPAPPSSSA-N 1 1 305.378 2.499 20 5 DEBDMO CC/C=C(/C)C(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001267188211 1078651983 /nfs/dbraw/zinc/65/19/83/1078651983.db2.gz MLHISAHXHPSWIX-MLPAPPSSSA-N 1 1 305.378 2.499 20 5 DEBDMO C[C@H](Nc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001515986968 1068908708 /nfs/dbraw/zinc/90/87/08/1068908708.db2.gz FQFZKWDBRHDJNL-GWCFXTLKSA-N 1 1 312.801 2.294 20 5 DEBDMO CNC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001644496942 1078848426 /nfs/dbraw/zinc/84/84/26/1078848426.db2.gz SDRNHASQUYNDGW-RYUDHWBXSA-N 1 1 306.366 2.049 20 5 DEBDMO CNC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001644496942 1078848429 /nfs/dbraw/zinc/84/84/29/1078848429.db2.gz SDRNHASQUYNDGW-RYUDHWBXSA-N 1 1 306.366 2.049 20 5 DEBDMO CNC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001644496940 1078849360 /nfs/dbraw/zinc/84/93/60/1078849360.db2.gz SDRNHASQUYNDGW-NEPJUHHUSA-N 1 1 306.366 2.049 20 5 DEBDMO CNC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001644496940 1078849367 /nfs/dbraw/zinc/84/93/67/1078849367.db2.gz SDRNHASQUYNDGW-NEPJUHHUSA-N 1 1 306.366 2.049 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001645337210 1078894781 /nfs/dbraw/zinc/89/47/81/1078894781.db2.gz CZFVPSVCSCHQJM-YYRKOSNBSA-N 1 1 317.389 2.455 20 5 DEBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cn(C4CC4)cn3)CC2)n1 ZINC001560802422 1075146452 /nfs/dbraw/zinc/14/64/52/1075146452.db2.gz UEEKTBTVGJSGHG-UHFFFAOYSA-N 1 1 316.365 2.160 20 5 DEBDMO CN(C)c1cc(NC(=O)NCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001563143534 1075165001 /nfs/dbraw/zinc/16/50/01/1075165001.db2.gz NJRVVSPSNIZSCR-UHFFFAOYSA-N 1 1 315.333 2.378 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001583981435 1076281985 /nfs/dbraw/zinc/28/19/85/1076281985.db2.gz QIHLRCSPARWQKP-UHFFFAOYSA-N 1 1 322.752 2.112 20 5 DEBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC001590273188 1076604897 /nfs/dbraw/zinc/60/48/97/1076604897.db2.gz WGSBOOGMXRBJBM-WDEREUQCSA-N 1 1 316.365 2.253 20 5 DEBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590501881 1076641207 /nfs/dbraw/zinc/64/12/07/1076641207.db2.gz GSQOBTYGXWTOIX-GWCFXTLKSA-N 1 1 316.365 2.395 20 5 DEBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001593467398 1077005583 /nfs/dbraw/zinc/00/55/83/1077005583.db2.gz PTUZFYGOISUYNY-TXEJJXNPSA-N 1 1 314.349 2.007 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609154836 1077776380 /nfs/dbraw/zinc/77/63/80/1077776380.db2.gz SHXYHHUNLFASHV-PHIMTYICSA-N 1 1 316.365 2.253 20 5 DEBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC001652263927 1079862437 /nfs/dbraw/zinc/86/24/37/1079862437.db2.gz JCGVGYWGPBADCZ-ZDUSSCGKSA-N 1 1 317.393 2.409 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070231869 1079981842 /nfs/dbraw/zinc/98/18/42/1079981842.db2.gz ACGATHLQEDRHCV-LLVKDONJSA-N 1 1 311.769 2.462 20 5 DEBDMO Cc1noc([C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC001655159182 1079988972 /nfs/dbraw/zinc/98/89/72/1079988972.db2.gz PBPOTMKBYLYLBW-ZIAGYGMSSA-N 1 1 320.349 2.307 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(N)o3)C2)cc1[N+](=O)[O-] ZINC001655205414 1079989601 /nfs/dbraw/zinc/98/96/01/1079989601.db2.gz HKNXXVUYQAPWKQ-LBPRGKRZSA-N 1 1 317.349 2.248 20 5 DEBDMO COC(=O)c1cnc(Nc2ccc3[nH+]ccn3c2)c([N+](=O)[O-])c1 ZINC001655693422 1080011987 /nfs/dbraw/zinc/01/19/87/1080011987.db2.gz BWXZPRHXFFVKQB-UHFFFAOYSA-N 1 1 313.273 2.168 20 5 DEBDMO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC001656523611 1080099222 /nfs/dbraw/zinc/09/92/22/1080099222.db2.gz NSOXUOJUSXZIFC-OAHLLOKOSA-N 1 1 316.361 2.292 20 5 DEBDMO Cn1cc(C[N@H+]2CCO[C@@H](c3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC001656523611 1080099230 /nfs/dbraw/zinc/09/92/30/1080099230.db2.gz NSOXUOJUSXZIFC-OAHLLOKOSA-N 1 1 316.361 2.292 20 5 DEBDMO Cc1ccc(O)c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC001658430392 1080207281 /nfs/dbraw/zinc/20/72/81/1080207281.db2.gz HXJGFSMHHSERAL-INIZCTEOSA-N 1 1 317.345 2.001 20 5 DEBDMO O=[N+]([O-])c1cc(CN2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)ccc1Cl ZINC001660495067 1080343073 /nfs/dbraw/zinc/34/30/73/1080343073.db2.gz OVSWCRCNRSIFEO-RYUDHWBXSA-N 1 1 313.760 2.476 20 5 DEBDMO O=[N+]([O-])c1cc(CN2CC[N@H+]3C[C@@H](F)C[C@H]3C2)ccc1Cl ZINC001660495067 1080343078 /nfs/dbraw/zinc/34/30/78/1080343078.db2.gz OVSWCRCNRSIFEO-RYUDHWBXSA-N 1 1 313.760 2.476 20 5 DEBDMO CC(C)CC(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001665249103 1081005030 /nfs/dbraw/zinc/00/50/30/1081005030.db2.gz NGSBPKNLSLTIOS-UHFFFAOYSA-N 1 1 305.378 2.189 20 5 DEBDMO CC/C(C)=C/C(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001480862202 1081924165 /nfs/dbraw/zinc/92/41/65/1081924165.db2.gz VGHIEMSHHPIPKO-JLHYYAGUSA-N 1 1 305.378 2.499 20 5 DEBDMO CC/C(C)=C/C(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001480862202 1081924167 /nfs/dbraw/zinc/92/41/67/1081924167.db2.gz VGHIEMSHHPIPKO-JLHYYAGUSA-N 1 1 305.378 2.499 20 5 DEBDMO CC(C)[C@@]1(CO)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000351951207 1138313352 /nfs/dbraw/zinc/31/33/52/1138313352.db2.gz ZHFQVCFAUJMFKJ-INIZCTEOSA-N 1 1 318.377 2.312 20 5 DEBDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000351951207 1138313356 /nfs/dbraw/zinc/31/33/56/1138313356.db2.gz ZHFQVCFAUJMFKJ-INIZCTEOSA-N 1 1 318.377 2.312 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001318980702 1140484767 /nfs/dbraw/zinc/48/47/67/1140484767.db2.gz ZBKJOCXSJXLLEG-UHFFFAOYSA-N 1 1 315.333 2.350 20 5 DEBDMO CC(C)(C)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001323596110 1141868546 /nfs/dbraw/zinc/86/85/46/1141868546.db2.gz LDSWEDABOFCGMW-UHFFFAOYSA-N 1 1 311.407 2.441 20 5 DEBDMO O=C(NCC[NH+]1CC=CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001252484103 1142731289 /nfs/dbraw/zinc/73/12/89/1142731289.db2.gz YFQQPLYUIAFRMW-UHFFFAOYSA-N 1 1 317.370 2.411 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1[N+](=O)[O-] ZINC001337716511 1142791635 /nfs/dbraw/zinc/79/16/35/1142791635.db2.gz KSOQRLNZKUMLQC-DDTOSNHZSA-N 1 1 321.352 2.112 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC001339199247 1142978134 /nfs/dbraw/zinc/97/81/34/1142978134.db2.gz BFZAPPPNOPFKKT-NHCYSSNCSA-N 1 1 323.780 2.318 20 5 DEBDMO C[C@@]1(O)CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254473559 1143129905 /nfs/dbraw/zinc/12/99/05/1143129905.db2.gz FPLWFEFBLUMJCU-MRXNPFEDSA-N 1 1 305.378 2.020 20 5 DEBDMO C[C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1O ZINC001254475033 1143132522 /nfs/dbraw/zinc/13/25/22/1143132522.db2.gz YSPCZSJLJADTKK-DYVFJYSZSA-N 1 1 319.405 2.266 20 5 DEBDMO C[C@H]1C[C@H](O)CC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479739 1143134596 /nfs/dbraw/zinc/13/45/96/1143134596.db2.gz JZBPKWKGDTXMHX-SUMWQHHRSA-N 1 1 319.405 2.409 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001254560784 1143248467 /nfs/dbraw/zinc/24/84/67/1143248467.db2.gz YIJDLWHKMMQMPZ-WFASDCNBSA-N 1 1 305.378 2.078 20 5 DEBDMO CC[N@@H+](CCN1CCOCC1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560802 1143248898 /nfs/dbraw/zinc/24/88/98/1143248898.db2.gz YNUMTNRCIYXGTL-OAHLLOKOSA-N 1 1 321.421 2.180 20 5 DEBDMO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605755 1143278417 /nfs/dbraw/zinc/27/84/17/1143278417.db2.gz DHHJLBFVVYLSPR-GDBMZVCRSA-N 1 1 317.389 2.053 20 5 DEBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H](CF)C2)nc1-c1ccncc1 ZINC001262051127 1144287829 /nfs/dbraw/zinc/28/78/29/1144287829.db2.gz FWXXFSPDOJVBQJ-GFCCVEGCSA-N 1 1 319.340 2.492 20 5 DEBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@H](CF)C2)nc1-c1ccncc1 ZINC001262051127 1144287831 /nfs/dbraw/zinc/28/78/31/1144287831.db2.gz FWXXFSPDOJVBQJ-GFCCVEGCSA-N 1 1 319.340 2.492 20 5 DEBDMO Cc1n[nH]c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC001262109325 1144291188 /nfs/dbraw/zinc/29/11/88/1144291188.db2.gz PVZRMFMYDVKOKS-LBPRGKRZSA-N 1 1 316.365 2.016 20 5 DEBDMO Cc1n[nH]c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC001262109325 1144291192 /nfs/dbraw/zinc/29/11/92/1144291192.db2.gz PVZRMFMYDVKOKS-LBPRGKRZSA-N 1 1 316.365 2.016 20 5 DEBDMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3ccc([N+](=O)[O-])cc3)C[N@H+]2C1 ZINC001263709983 1144390280 /nfs/dbraw/zinc/39/02/80/1144390280.db2.gz JHJXBLVZMZFTGQ-INWMFGNUSA-N 1 1 317.389 2.331 20 5 DEBDMO C[C@@H](C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC001289376442 1146821695 /nfs/dbraw/zinc/82/16/95/1146821695.db2.gz DVVPHDOJEDEHFG-MRRJBJDNSA-N 1 1 317.389 2.108 20 5 DEBDMO C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001303988399 1147341279 /nfs/dbraw/zinc/34/12/79/1147341279.db2.gz IHZWAGWBSABCEP-RRFJBIMHSA-N 1 1 317.389 2.155 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC001306058206 1147378312 /nfs/dbraw/zinc/37/83/12/1147378312.db2.gz UVROYKBIZBFUBV-GFCCVEGCSA-N 1 1 316.361 2.242 20 5 DEBDMO C[C@@H](CNc1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC001306951812 1147394905 /nfs/dbraw/zinc/39/49/05/1147394905.db2.gz SNPLBYLDSOIZFQ-JTQLQIEISA-N 1 1 321.406 2.249 20 5 DEBDMO C[C@@H](CNc1nn(C)cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC001306951812 1147394912 /nfs/dbraw/zinc/39/49/12/1147394912.db2.gz SNPLBYLDSOIZFQ-JTQLQIEISA-N 1 1 321.406 2.249 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001307905065 1147440530 /nfs/dbraw/zinc/44/05/30/1147440530.db2.gz LGCVKBSXFYBCOH-SLEUVZQESA-N 1 1 319.361 2.395 20 5 DEBDMO CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CC(C)C)CC1 ZINC001317004236 1147647240 /nfs/dbraw/zinc/64/72/40/1147647240.db2.gz QMIVMCQAZGLXHN-HUUCEWRRSA-N 1 1 311.426 2.011 20 5 DEBDMO CN(C[C@@H]1CC[N@@H+](C)C1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278357035 214111997 /nfs/dbraw/zinc/11/19/97/214111997.db2.gz KAMLWCZJWNTXIU-SECBINFHSA-N 1 1 318.299 2.397 20 5 DEBDMO CC[N@H+](Cc1ccoc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612067278 361736243 /nfs/dbraw/zinc/73/62/43/361736243.db2.gz LIIITXXJHBGOCB-AWEZNQCLSA-N 1 1 320.345 2.450 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000090008110 185276488 /nfs/dbraw/zinc/27/64/88/185276488.db2.gz FDRUIAWHHXBTOC-MRXNPFEDSA-N 1 1 306.362 2.475 20 5 DEBDMO C[N@@H+](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000299279374 529916740 /nfs/dbraw/zinc/91/67/40/529916740.db2.gz QVIKMLKPZZTJMI-UHFFFAOYSA-N 1 1 303.318 2.165 20 5 DEBDMO Cc1c(CC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000272734177 210139844 /nfs/dbraw/zinc/13/98/44/210139844.db2.gz LWCBKADVAUVHJC-ZDUSSCGKSA-N 1 1 317.389 2.212 20 5 DEBDMO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279792034 215150335 /nfs/dbraw/zinc/15/03/35/215150335.db2.gz OKPGTEYTFRKZIP-CHWSQXEVSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279792034 215150338 /nfs/dbraw/zinc/15/03/38/215150338.db2.gz OKPGTEYTFRKZIP-CHWSQXEVSA-N 1 1 321.377 2.159 20 5 DEBDMO CC(C)(C)[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000279953220 215266036 /nfs/dbraw/zinc/26/60/36/215266036.db2.gz XXEZXVQWFADJAT-GJZGRUSLSA-N 1 1 308.378 2.375 20 5 DEBDMO CC(C)(C)[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000279953220 215266037 /nfs/dbraw/zinc/26/60/37/215266037.db2.gz XXEZXVQWFADJAT-GJZGRUSLSA-N 1 1 308.378 2.375 20 5 DEBDMO CC[C@@]1([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000616865651 362952332 /nfs/dbraw/zinc/95/23/32/362952332.db2.gz ZLMGSHLOXSTNKM-OAHLLOKOSA-N 1 1 318.333 2.304 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000290932844 186628732 /nfs/dbraw/zinc/62/87/32/186628732.db2.gz NPVDKPOOEGOSFB-ZDUSSCGKSA-N 1 1 323.393 2.210 20 5 DEBDMO CC[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000173725982 198245445 /nfs/dbraw/zinc/24/54/45/198245445.db2.gz UYYYDWDSMGLVGK-QWHCGFSZSA-N 1 1 324.377 2.482 20 5 DEBDMO CC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000173725982 198245447 /nfs/dbraw/zinc/24/54/47/198245447.db2.gz UYYYDWDSMGLVGK-QWHCGFSZSA-N 1 1 324.377 2.482 20 5 DEBDMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617724550 363234115 /nfs/dbraw/zinc/23/41/15/363234115.db2.gz QJKUUAQBYLQTND-DOMZBBRYSA-N 1 1 317.389 2.299 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000046955701 354299259 /nfs/dbraw/zinc/29/92/59/354299259.db2.gz GGSSUFWNVGADNC-LBPRGKRZSA-N 1 1 306.366 2.367 20 5 DEBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000047266074 354311281 /nfs/dbraw/zinc/31/12/81/354311281.db2.gz YVHUXLGAAOYSSI-ZDUSSCGKSA-N 1 1 313.361 2.268 20 5 DEBDMO CC(C)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000061854872 354631951 /nfs/dbraw/zinc/63/19/51/354631951.db2.gz AVIBFEZGWHURSY-UHFFFAOYSA-N 1 1 311.407 2.460 20 5 DEBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000072665214 354912357 /nfs/dbraw/zinc/91/23/57/354912357.db2.gz SBXAZYOZXPWXFR-NSHDSACASA-N 1 1 319.390 2.441 20 5 DEBDMO CCN1CC[NH+]([C@@H](C)CNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000079905762 355335238 /nfs/dbraw/zinc/33/52/38/355335238.db2.gz LBYHHIQTOHSURH-AWEZNQCLSA-N 1 1 306.410 2.341 20 5 DEBDMO Cc1cccc(NCCNC(=O)Cc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000126357566 355816862 /nfs/dbraw/zinc/81/68/62/355816862.db2.gz HBESWAJEJBMCGQ-UHFFFAOYSA-N 1 1 314.345 2.069 20 5 DEBDMO Cc1cc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(C)[nH+]1 ZINC000133599601 355856297 /nfs/dbraw/zinc/85/62/97/355856297.db2.gz NTKOYYQUCXFRTJ-GFCCVEGCSA-N 1 1 314.349 2.087 20 5 DEBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000182668830 356138029 /nfs/dbraw/zinc/13/80/29/356138029.db2.gz IQXNRIQDUICDBT-GFCCVEGCSA-N 1 1 310.350 2.247 20 5 DEBDMO C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@@H+](C)C1CC1 ZINC000185179418 356203021 /nfs/dbraw/zinc/20/30/21/356203021.db2.gz BEHBTCAQDQNOKZ-MNOVXSKESA-N 1 1 323.368 2.436 20 5 DEBDMO COc1cc(C[N@@H+](C)CC2(O)CCCC2)c([N+](=O)[O-])cc1F ZINC000184269475 199695730 /nfs/dbraw/zinc/69/57/30/199695730.db2.gz YSIBVCLUYFIUMZ-UHFFFAOYSA-N 1 1 312.341 2.479 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000578392183 356808436 /nfs/dbraw/zinc/80/84/36/356808436.db2.gz OKFFSKHDIKSCQI-LBPRGKRZSA-N 1 1 316.361 2.242 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000578392183 356808440 /nfs/dbraw/zinc/80/84/40/356808440.db2.gz OKFFSKHDIKSCQI-LBPRGKRZSA-N 1 1 316.361 2.242 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000581989562 357280151 /nfs/dbraw/zinc/28/01/51/357280151.db2.gz WNORWWISCPIUCU-UHOFOFEASA-N 1 1 317.389 2.156 20 5 DEBDMO CNc1c(C(=O)NCC[N@H+]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000590889202 357636532 /nfs/dbraw/zinc/63/65/32/357636532.db2.gz DZXHEKAIEBRVFW-UHFFFAOYSA-N 1 1 320.393 2.241 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000451992134 283284093 /nfs/dbraw/zinc/28/40/93/283284093.db2.gz LHJFXNVNQYIEIQ-CQSZACIVSA-N 1 1 320.393 2.139 20 5 DEBDMO Cc1c(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000451992134 283284096 /nfs/dbraw/zinc/28/40/96/283284096.db2.gz LHJFXNVNQYIEIQ-CQSZACIVSA-N 1 1 320.393 2.139 20 5 DEBDMO CC[N@H+](CCSC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000592201466 357850691 /nfs/dbraw/zinc/85/06/91/357850691.db2.gz GYTVSXBHCJQRPE-UHFFFAOYSA-N 1 1 323.418 2.169 20 5 DEBDMO CC[N@@H+](CCSC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000592201466 357850695 /nfs/dbraw/zinc/85/06/95/357850695.db2.gz GYTVSXBHCJQRPE-UHFFFAOYSA-N 1 1 323.418 2.169 20 5 DEBDMO CCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592831357 357953365 /nfs/dbraw/zinc/95/33/65/357953365.db2.gz LJNATOFGLCXZGY-CQSZACIVSA-N 1 1 305.378 2.460 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1csc([N+](=O)[O-])c1 ZINC000594204969 358223303 /nfs/dbraw/zinc/22/33/03/358223303.db2.gz YZOLRGMBMZQHRE-VXGBXAGGSA-N 1 1 309.391 2.403 20 5 DEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594201711 358222317 /nfs/dbraw/zinc/22/23/17/358222317.db2.gz PXFBCANQVAQHBN-CVEARBPZSA-N 1 1 317.389 2.270 20 5 DEBDMO CC(C)Oc1nc(N(C)CC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000594574044 358296455 /nfs/dbraw/zinc/29/64/55/358296455.db2.gz XSHJSRQORVIMEU-UHFFFAOYSA-N 1 1 308.382 2.307 20 5 DEBDMO COc1cc(C[NH2+][C@H](C)CN2CCCCC2)c([N+](=O)[O-])cc1O ZINC000594914190 358356948 /nfs/dbraw/zinc/35/69/48/358356948.db2.gz FCFRQCMBIPUREZ-GFCCVEGCSA-N 1 1 323.393 2.273 20 5 DEBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595674529 358518665 /nfs/dbraw/zinc/51/86/65/358518665.db2.gz LDMYGXUISFWVNM-UONOGXRCSA-N 1 1 308.378 2.457 20 5 DEBDMO CCCCNC(=O)C1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595287260 358412263 /nfs/dbraw/zinc/41/22/63/358412263.db2.gz AWIMIBXYJBIYAT-UHFFFAOYSA-N 1 1 324.381 2.020 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000595326668 358422800 /nfs/dbraw/zinc/42/28/00/358422800.db2.gz ODYDZNPBIKNBQW-HNNXBMFYSA-N 1 1 323.368 2.031 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000595326668 358422803 /nfs/dbraw/zinc/42/28/03/358422803.db2.gz ODYDZNPBIKNBQW-HNNXBMFYSA-N 1 1 323.368 2.031 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000595349374 358427676 /nfs/dbraw/zinc/42/76/76/358427676.db2.gz CFWNYMGAAXVBDR-OCCSQVGLSA-N 1 1 312.366 2.440 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000595349374 358427680 /nfs/dbraw/zinc/42/76/80/358427680.db2.gz CFWNYMGAAXVBDR-OCCSQVGLSA-N 1 1 312.366 2.440 20 5 DEBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000595831090 358558288 /nfs/dbraw/zinc/55/82/88/358558288.db2.gz ICCRCRVXDSHJLI-AWEZNQCLSA-N 1 1 303.362 2.039 20 5 DEBDMO Cc1cc(N2CCC([N@@H+](C)CCCO)CC2)c([N+](=O)[O-])s1 ZINC000596128305 358617586 /nfs/dbraw/zinc/61/75/86/358617586.db2.gz HIQUYHJHHJFPTD-UHFFFAOYSA-N 1 1 313.423 2.248 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1C ZINC000596135214 358619206 /nfs/dbraw/zinc/61/92/06/358619206.db2.gz FJUQNUALFMHXJD-YPMHNXCESA-N 1 1 320.393 2.003 20 5 DEBDMO Cc1cc(NCCN2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])s1 ZINC000596223311 358644372 /nfs/dbraw/zinc/64/43/72/358644372.db2.gz OZDKFTJQNOLWGH-UHFFFAOYSA-N 1 1 312.439 2.403 20 5 DEBDMO CC[N@H+]1CCCN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000596269579 358656504 /nfs/dbraw/zinc/65/65/04/358656504.db2.gz UJONKEQVHSPAJR-JTQLQIEISA-N 1 1 309.395 2.225 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000597605487 358961098 /nfs/dbraw/zinc/96/10/98/358961098.db2.gz PJOKEPHKVMHKKW-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000598563033 359242949 /nfs/dbraw/zinc/24/29/49/359242949.db2.gz ZKNVPPOJKCSIGO-CQSZACIVSA-N 1 1 317.389 2.447 20 5 DEBDMO CCC(O)(CC)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599672587 359565462 /nfs/dbraw/zinc/56/54/62/359565462.db2.gz GYIZKKWXQUSXPF-GFCCVEGCSA-N 1 1 323.393 2.405 20 5 DEBDMO CCC(O)(CC)C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000599683801 359570651 /nfs/dbraw/zinc/57/06/51/359570651.db2.gz ZELBYSXOOVULHK-UHFFFAOYSA-N 1 1 324.377 2.444 20 5 DEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601311396 360002454 /nfs/dbraw/zinc/00/24/54/360002454.db2.gz XNMSWDSCZONJFA-LBPRGKRZSA-N 1 1 323.368 2.442 20 5 DEBDMO COC(=O)c1cnc(NCC[N@@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000189271667 200374378 /nfs/dbraw/zinc/37/43/78/200374378.db2.gz ICMMHORXEPUFTE-UHFFFAOYSA-N 1 1 322.365 2.063 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609345028 361306003 /nfs/dbraw/zinc/30/60/03/361306003.db2.gz JJIZKEUGZVGVDT-SNVBAGLBSA-N 1 1 314.345 2.043 20 5 DEBDMO C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609640198 361331445 /nfs/dbraw/zinc/33/14/45/361331445.db2.gz AKMCKWORLQVPDG-AAEUAGOBSA-N 1 1 318.377 2.192 20 5 DEBDMO CC[C@@H]1CN(c2cc(C)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000610677459 361443463 /nfs/dbraw/zinc/44/34/63/361443463.db2.gz KPGQWFNXIRGPHH-CQSZACIVSA-N 1 1 307.394 2.450 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCOC[C@H]1C ZINC000610990941 361504810 /nfs/dbraw/zinc/50/48/10/361504810.db2.gz VTJLTQOSQUFLLC-CYBMUJFWSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCOC[C@@H]1C ZINC000610990942 361505592 /nfs/dbraw/zinc/50/55/92/361505592.db2.gz VTJLTQOSQUFLLC-ZDUSSCGKSA-N 1 1 321.377 2.343 20 5 DEBDMO CC[N@H+]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611092434 361525615 /nfs/dbraw/zinc/52/56/15/361525615.db2.gz UIKQUESYFSYRFF-ZDUSSCGKSA-N 1 1 323.393 2.008 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1cccnc1)C1CC1 ZINC000611560008 361632223 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Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451667245 243281068 /nfs/dbraw/zinc/28/10/68/243281068.db2.gz UEESIFBYRWNPCH-ZNMIVQPWSA-N 1 1 321.421 2.351 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451667245 243281075 /nfs/dbraw/zinc/28/10/75/243281075.db2.gz UEESIFBYRWNPCH-ZNMIVQPWSA-N 1 1 321.421 2.351 20 5 DEBDMO COC(=O)[C@@H]1CSCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000332247190 284146415 /nfs/dbraw/zinc/14/64/15/284146415.db2.gz XDXDOMHMBHJXQY-NEPJUHHUSA-N 1 1 324.402 2.494 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093664328 193286694 /nfs/dbraw/zinc/28/66/94/193286694.db2.gz CXQUGOFSKRFAGJ-MRXNPFEDSA-N 1 1 319.405 2.057 20 5 DEBDMO Cc1ccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093664328 193286695 /nfs/dbraw/zinc/28/66/95/193286695.db2.gz CXQUGOFSKRFAGJ-MRXNPFEDSA-N 1 1 319.405 2.057 20 5 DEBDMO CC(C)N1CCC[C@@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000282479552 217027102 /nfs/dbraw/zinc/02/71/02/217027102.db2.gz OPOWMYZQSBQCHY-MRXNPFEDSA-N 1 1 319.405 2.469 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492160387 249009062 /nfs/dbraw/zinc/00/90/62/249009062.db2.gz FPUZIEKVCODCHH-CWOSQUEISA-N 1 1 315.373 2.207 20 5 DEBDMO CC1=CC[N@@H+](CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000492558219 249089211 /nfs/dbraw/zinc/08/92/11/249089211.db2.gz FKQVNUKHIIGKKI-DAXSKMNVSA-N 1 1 315.373 2.376 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492651857 249108732 /nfs/dbraw/zinc/10/87/32/249108732.db2.gz SHQVTKPRTVRMEM-JXMROGBWSA-N 1 1 303.362 2.161 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1cccs1)C1CC1 ZINC000159712328 197361618 /nfs/dbraw/zinc/36/16/18/197361618.db2.gz MSBJLISYNUYGDN-UHFFFAOYSA-N 1 1 319.386 2.483 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159471743 197356237 /nfs/dbraw/zinc/35/62/37/197356237.db2.gz 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DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](CC)C2CC2)c1 ZINC000283649001 403212307 /nfs/dbraw/zinc/21/23/07/403212307.db2.gz CVHKYBJBDPDVLL-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO CC[N@@H+](CC(C)(C)O)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270761947 403221610 /nfs/dbraw/zinc/22/16/10/403221610.db2.gz YFKZZEWYSZZIEO-LLVKDONJSA-N 1 1 309.366 2.015 20 5 DEBDMO C[C@H]1OCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000283224441 403182238 /nfs/dbraw/zinc/18/22/38/403182238.db2.gz IGBFSSHEOZSSEW-VXGBXAGGSA-N 1 1 307.350 2.033 20 5 DEBDMO C[C@H](O)C[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000276563870 403186665 /nfs/dbraw/zinc/18/66/65/403186665.db2.gz MCTDMTIHGWBTLE-MNOVXSKESA-N 1 1 313.785 2.140 20 5 DEBDMO COc1ccc(OCCN2CC[N@@H+](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000271073614 403260784 /nfs/dbraw/zinc/26/07/84/403260784.db2.gz WFRBHCHVVYRHIR-UHFFFAOYSA-N 1 1 323.393 2.008 20 5 DEBDMO CC(C)([NH2+]Cc1cc(=O)c(O)co1)c1ccccc1[N+](=O)[O-] ZINC000292077410 403284842 /nfs/dbraw/zinc/28/48/42/403284842.db2.gz FJCBOJCPDBQBBY-UHFFFAOYSA-N 1 1 304.302 2.279 20 5 DEBDMO COc1ccc(OCCN2C[C@@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000330595942 403285015 /nfs/dbraw/zinc/28/50/15/403285015.db2.gz RGQQMWJOMOHYSW-CHWSQXEVSA-N 1 1 323.393 2.007 20 5 DEBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCCCF)CC1 ZINC000293142179 403399068 /nfs/dbraw/zinc/39/90/68/403399068.db2.gz NPWLEZASKKQHJC-UHFFFAOYSA-N 1 1 323.368 2.492 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000286101786 403450057 /nfs/dbraw/zinc/45/00/57/403450057.db2.gz CYVJVFZOKYQNLN-ONGXEEELSA-N 1 1 319.390 2.130 20 5 DEBDMO CN(c1ccc([N+](=O)[O-])c2nonc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286195885 403470025 /nfs/dbraw/zinc/47/00/25/403470025.db2.gz AQWORPRZXBIEKE-ZACCUICWSA-N 1 1 317.349 2.192 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000286251483 403482005 /nfs/dbraw/zinc/48/20/05/403482005.db2.gz AQSQINCEJPIDLY-SNVBAGLBSA-N 1 1 310.329 2.292 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000345905110 403527872 /nfs/dbraw/zinc/52/78/72/403527872.db2.gz LEUULMNIWLKUHK-OLZOCXBDSA-N 1 1 319.405 2.387 20 5 DEBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000286451753 403529469 /nfs/dbraw/zinc/52/94/69/403529469.db2.gz JWLQQFQWOKMRJH-PASATYPHSA-N 1 1 318.373 2.329 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000345919105 403532664 /nfs/dbraw/zinc/53/26/64/403532664.db2.gz LVZGTNMBYZHTOZ-NWDGAFQWSA-N 1 1 323.368 2.218 20 5 DEBDMO CC(C)[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299180769 403542861 /nfs/dbraw/zinc/54/28/61/403542861.db2.gz ZCSRFUFWWDODIV-UHFFFAOYSA-N 1 1 316.361 2.242 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000332224325 403521464 /nfs/dbraw/zinc/52/14/64/403521464.db2.gz BMCKOHJDFXDJMP-HIFRSBDPSA-N 1 1 303.362 2.260 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000293860577 403584140 /nfs/dbraw/zinc/58/41/40/403584140.db2.gz DRXMGNWLJOTHRZ-INIZCTEOSA-N 1 1 321.352 2.292 20 5 DEBDMO Cc1c(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000287246141 403559279 /nfs/dbraw/zinc/55/92/79/403559279.db2.gz GOROXORQMWQYQB-OAHLLOKOSA-N 1 1 317.389 2.348 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340318578 403578063 /nfs/dbraw/zinc/57/80/63/403578063.db2.gz WCTKDJRWAZVPHS-CYBMUJFWSA-N 1 1 319.405 2.425 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287506848 403613311 /nfs/dbraw/zinc/61/33/11/403613311.db2.gz ZDDQTGOAZAIEDV-JTQLQIEISA-N 1 1 321.406 2.378 20 5 DEBDMO CCOC(=O)c1ccnc(N[C@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000343488481 403610454 /nfs/dbraw/zinc/61/04/54/403610454.db2.gz YJTOQOKZKRFZMB-JQWIXIFHSA-N 1 1 322.365 2.061 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000343563292 403640486 /nfs/dbraw/zinc/64/04/86/403640486.db2.gz GTBTXXSVXZTJKS-ZDUSSCGKSA-N 1 1 321.377 2.208 20 5 DEBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000347294449 403653950 /nfs/dbraw/zinc/65/39/50/403653950.db2.gz XFFDWQWDINTWQJ-WCQYABFASA-N 1 1 322.340 2.482 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000301702554 403667023 /nfs/dbraw/zinc/66/70/23/403667023.db2.gz GXZDFHOUHKSVTL-CYBMUJFWSA-N 1 1 315.377 2.491 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000343626102 403667519 /nfs/dbraw/zinc/66/75/19/403667519.db2.gz XVXNEMQKNUUQDF-CYBMUJFWSA-N 1 1 309.341 2.338 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1(O)CCOCC1 ZINC000347379988 403686213 /nfs/dbraw/zinc/68/62/13/403686213.db2.gz RSQSAVBPEWHAKI-UVTDQMKNSA-N 1 1 320.389 2.471 20 5 DEBDMO C[C@H]1C[C@@H](O)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000340936489 403705529 /nfs/dbraw/zinc/70/55/29/403705529.db2.gz YSXHDJCEBQDEPT-SMDDNHRTSA-N 1 1 317.345 2.247 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000295119751 403765888 /nfs/dbraw/zinc/76/58/88/403765888.db2.gz MYEGYQFUAVGRHU-CYBMUJFWSA-N 1 1 307.350 2.176 20 5 DEBDMO Cc1ccc(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000295119751 403765890 /nfs/dbraw/zinc/76/58/90/403765890.db2.gz MYEGYQFUAVGRHU-CYBMUJFWSA-N 1 1 307.350 2.176 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N(C)CCC[N@H+](C)CCN(C)C)c1 ZINC000341041695 403748450 /nfs/dbraw/zinc/74/84/50/403748450.db2.gz OPBKGZHGVYSIAD-UHFFFAOYSA-N 1 1 308.426 2.223 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N(C)CCCN(C)CC[NH+](C)C)c1 ZINC000341041695 403748454 /nfs/dbraw/zinc/74/84/54/403748454.db2.gz OPBKGZHGVYSIAD-UHFFFAOYSA-N 1 1 308.426 2.223 20 5 DEBDMO O=[N+]([O-])c1ccc2c(ccnc2NCC[N@H+]2CCCOCC2)c1 ZINC000295095122 403757827 /nfs/dbraw/zinc/75/78/27/403757827.db2.gz SQHNJLKIOBVWPF-UHFFFAOYSA-N 1 1 316.361 2.277 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351622844 403811146 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317.389 2.460 20 5 DEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344213679 403982095 /nfs/dbraw/zinc/98/20/95/403982095.db2.gz HXLOAIVZCFANJZ-SNVBAGLBSA-N 1 1 320.324 2.305 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411856011 403993619 /nfs/dbraw/zinc/99/36/19/403993619.db2.gz QLMKBFCYSQYHGB-UHFFFAOYSA-N 1 1 316.361 2.285 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCc2c(cnn2C)C1 ZINC000411856011 403993627 /nfs/dbraw/zinc/99/36/27/403993627.db2.gz QLMKBFCYSQYHGB-UHFFFAOYSA-N 1 1 316.361 2.285 20 5 DEBDMO C[C@@H]1[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000344235435 403998210 /nfs/dbraw/zinc/99/82/10/403998210.db2.gz LFEQYJMWFRRWOT-OCCSQVGLSA-N 1 1 320.393 2.219 20 5 DEBDMO Cc1nc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295742452 404009682 /nfs/dbraw/zinc/00/96/82/404009682.db2.gz YMCRAMHONCSIFM-NSHDSACASA-N 1 1 305.382 2.004 20 5 DEBDMO CCOC1CC(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000351877462 403979959 /nfs/dbraw/zinc/97/99/59/403979959.db2.gz PNMMAMZVVHCGQK-JVWICGRDSA-N 1 1 320.393 2.291 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000319346984 404054869 /nfs/dbraw/zinc/05/48/69/404054869.db2.gz PSALAXDYODREMW-NSHDSACASA-N 1 1 309.341 2.194 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363096772 404069941 /nfs/dbraw/zinc/06/99/41/404069941.db2.gz DNUQEDLMJMQRHJ-QWHCGFSZSA-N 1 1 303.362 2.260 20 5 DEBDMO COC(=O)[C@@]1(C)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000412110597 404141403 /nfs/dbraw/zinc/14/14/03/404141403.db2.gz VARSLJPXLWAGIR-INIZCTEOSA-N 1 1 322.361 2.249 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412256321 404211985 /nfs/dbraw/zinc/21/19/85/404211985.db2.gz LVMFXAYPNAYICR-JKSUJKDBSA-N 1 1 317.389 2.251 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCSC[C@H]1CCO ZINC000355094600 404214598 /nfs/dbraw/zinc/21/45/98/404214598.db2.gz ZTMQFGVCCNSDJC-PKXJPQMGSA-N 1 1 308.403 2.408 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCSC[C@H]1CCO ZINC000355094600 404214599 /nfs/dbraw/zinc/21/45/99/404214599.db2.gz ZTMQFGVCCNSDJC-PKXJPQMGSA-N 1 1 308.403 2.408 20 5 DEBDMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCNC1=O ZINC000355189542 404270921 /nfs/dbraw/zinc/27/09/21/404270921.db2.gz OQBIBVAJBFKQRZ-CQSZACIVSA-N 1 1 315.329 2.175 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCNC1=O ZINC000355189542 404270925 /nfs/dbraw/zinc/27/09/25/404270925.db2.gz OQBIBVAJBFKQRZ-CQSZACIVSA-N 1 1 315.329 2.175 20 5 DEBDMO Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000296494904 404274929 /nfs/dbraw/zinc/27/49/29/404274929.db2.gz LGYJRQAXGHPUDG-AWEZNQCLSA-N 1 1 313.361 2.380 20 5 DEBDMO Cc1nc(NCC[N@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000296504306 404279547 /nfs/dbraw/zinc/27/95/47/404279547.db2.gz LTGFSGSGYZOHDW-UHFFFAOYSA-N 1 1 313.361 2.163 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@]12CCOC2 ZINC000341969570 404285803 /nfs/dbraw/zinc/28/58/03/404285803.db2.gz MVBGRMLJQUIBNG-MRXNPFEDSA-N 1 1 319.361 2.097 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@]12CCOC2 ZINC000341969570 404285805 /nfs/dbraw/zinc/28/58/05/404285805.db2.gz MVBGRMLJQUIBNG-MRXNPFEDSA-N 1 1 319.361 2.097 20 5 DEBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCOC1 ZINC000352228910 404230963 /nfs/dbraw/zinc/23/09/63/404230963.db2.gz BKAHMBTUVNVQDC-CYBMUJFWSA-N 1 1 318.333 2.256 20 5 DEBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCOC1 ZINC000352228910 404230971 /nfs/dbraw/zinc/23/09/71/404230971.db2.gz BKAHMBTUVNVQDC-CYBMUJFWSA-N 1 1 318.333 2.256 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000296862063 404347186 /nfs/dbraw/zinc/34/71/86/404347186.db2.gz MCCUEJQFGLWESN-PHIMTYICSA-N 1 1 322.365 2.160 20 5 DEBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)NCc1ccco1 ZINC000350242631 404351144 /nfs/dbraw/zinc/35/11/44/404351144.db2.gz FXJQKFNIELHEAK-JTQLQIEISA-N 1 1 321.308 2.121 20 5 DEBDMO Cc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000297016539 404413817 /nfs/dbraw/zinc/41/38/17/404413817.db2.gz MXCNJXSUICVVGO-YHWZYXNKSA-N 1 1 303.362 2.258 20 5 DEBDMO Cc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000356284606 404425195 /nfs/dbraw/zinc/42/51/95/404425195.db2.gz PQNHREBLAGYPDO-KRWDZBQOSA-N 1 1 317.389 2.461 20 5 DEBDMO C[C@H]1[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCC[N@H+]1C ZINC000345006821 404496093 /nfs/dbraw/zinc/49/60/93/404496093.db2.gz LLZFPWZQEXKSAI-CMPLNLGQSA-N 1 1 316.361 2.289 20 5 DEBDMO CCCCNC(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352544229 404447703 /nfs/dbraw/zinc/44/77/03/404447703.db2.gz PEGGRWFFTOHAFO-UHFFFAOYSA-N 1 1 307.394 2.376 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000344923003 404448956 /nfs/dbraw/zinc/44/89/56/404448956.db2.gz WDIJATCHTUDMMJ-JQWIXIFHSA-N 1 1 322.365 2.208 20 5 DEBDMO CCOC(=O)c1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000338788482 404547939 /nfs/dbraw/zinc/54/79/39/404547939.db2.gz UNDXNNRBSOEBCF-TXEJJXNPSA-N 1 1 321.377 2.300 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000373919889 404640587 /nfs/dbraw/zinc/64/05/87/404640587.db2.gz FDFZSVNZPVQENV-DGCLKSJQSA-N 1 1 321.333 2.361 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000373919891 404640752 /nfs/dbraw/zinc/64/07/52/404640752.db2.gz FDFZSVNZPVQENV-YPMHNXCESA-N 1 1 321.333 2.361 20 5 DEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000373920729 404641107 /nfs/dbraw/zinc/64/11/07/404641107.db2.gz HKGAZIAGAOYASW-WDEREUQCSA-N 1 1 307.325 2.091 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000352769900 404606695 /nfs/dbraw/zinc/60/66/95/404606695.db2.gz LYEWIDPXJBAYQY-JSGCOSHPSA-N 1 1 303.362 2.271 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000352769900 404606700 /nfs/dbraw/zinc/60/67/00/404606700.db2.gz LYEWIDPXJBAYQY-JSGCOSHPSA-N 1 1 303.362 2.271 20 5 DEBDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000374075715 404687069 /nfs/dbraw/zinc/68/70/69/404687069.db2.gz WDEHFTLXGXSODM-OSFYFWSMSA-N 1 1 322.409 2.090 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000330580522 404692537 /nfs/dbraw/zinc/69/25/37/404692537.db2.gz QEMSBFGSKZDEED-ZIAGYGMSSA-N 1 1 307.394 2.388 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000330580520 404692821 /nfs/dbraw/zinc/69/28/21/404692821.db2.gz QEMSBFGSKZDEED-KGLIPLIRSA-N 1 1 307.394 2.388 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000357975999 404749734 /nfs/dbraw/zinc/74/97/34/404749734.db2.gz PNOFPLTYASFVJE-ZDUSSCGKSA-N 1 1 322.409 2.165 20 5 DEBDMO COc1cc(C[NH+]2CC([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000366246934 404779143 /nfs/dbraw/zinc/77/91/43/404779143.db2.gz KWMJKVVLFXSJOM-LLVKDONJSA-N 1 1 322.361 2.080 20 5 DEBDMO CN(C)c1nccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000361027090 404884823 /nfs/dbraw/zinc/88/48/23/404884823.db2.gz KGOPPWHHKYTRJQ-UHFFFAOYSA-N 1 1 315.377 2.476 20 5 DEBDMO COC[C@H](C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353497010 404847937 /nfs/dbraw/zinc/84/79/37/404847937.db2.gz NOPMCPVCMWUGMC-DOMZBBRYSA-N 1 1 318.377 2.290 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000354017901 405005582 /nfs/dbraw/zinc/00/55/82/405005582.db2.gz CNWCRXAUHJDATE-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO O=C1[C@H]([NH+]2CCC(CF)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451388268 404977781 /nfs/dbraw/zinc/97/77/81/404977781.db2.gz BKRCJXVDNYGMCE-OAHLLOKOSA-N 1 1 321.352 2.382 20 5 DEBDMO CSc1ccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000354005545 404996191 /nfs/dbraw/zinc/99/61/91/404996191.db2.gz HJHBKPFEFDYUTO-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000451941520 405102477 /nfs/dbraw/zinc/10/24/77/405102477.db2.gz ZGIGFOPNRUCTGS-GDBMZVCRSA-N 1 1 324.377 2.276 20 5 DEBDMO C[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)C[N@H+]1C ZINC000408070924 405104169 /nfs/dbraw/zinc/10/41/69/405104169.db2.gz IAKNYJWSQIAPDW-MNOVXSKESA-N 1 1 316.361 2.241 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408069425 405104639 /nfs/dbraw/zinc/10/46/39/405104639.db2.gz BFMBTLNGFUGPOG-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408069425 405104643 /nfs/dbraw/zinc/10/46/43/405104643.db2.gz BFMBTLNGFUGPOG-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO CC[N@@H+](C[C@@H](C)OC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361574280 405139440 /nfs/dbraw/zinc/13/94/40/405139440.db2.gz ULDDHDCKQZYMKE-NEPJUHHUSA-N 1 1 309.366 2.279 20 5 DEBDMO Cc1c(NC(=O)CCN[C@@H](C[NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000420372572 405336213 /nfs/dbraw/zinc/33/62/13/405336213.db2.gz YIHXFEUJMKXPKC-AWEZNQCLSA-N 1 1 322.409 2.195 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000426922091 405383460 /nfs/dbraw/zinc/38/34/60/405383460.db2.gz XYFAYFKPMZPEJV-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000421714936 405610612 /nfs/dbraw/zinc/61/06/12/405610612.db2.gz WPBGCFOVNXUYIE-LBPRGKRZSA-N 1 1 323.418 2.240 20 5 DEBDMO CO[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1O ZINC000449570319 405619152 /nfs/dbraw/zinc/61/91/52/405619152.db2.gz GZOYJPNRMCDELP-GDBMZVCRSA-N 1 1 318.329 2.046 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000580116420 405590009 /nfs/dbraw/zinc/59/00/09/405590009.db2.gz MZWUZVTWWHEZTR-STQMWFEESA-N 1 1 307.398 2.040 20 5 DEBDMO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000580592745 405652322 /nfs/dbraw/zinc/65/23/22/405652322.db2.gz PNCBQCPLGDSWKJ-CYBMUJFWSA-N 1 1 321.377 2.247 20 5 DEBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000580592745 405652330 /nfs/dbraw/zinc/65/23/30/405652330.db2.gz PNCBQCPLGDSWKJ-CYBMUJFWSA-N 1 1 321.377 2.247 20 5 DEBDMO CC(=O)c1cc(NC[C@@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450590343 405967732 /nfs/dbraw/zinc/96/77/32/405967732.db2.gz DMEIXTWHPZAQHG-AWEZNQCLSA-N 1 1 321.377 2.056 20 5 DEBDMO Cc1[nH+]ccn1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000457689708 405951842 /nfs/dbraw/zinc/95/18/42/405951842.db2.gz WJYYNUQJPKKRGO-UHFFFAOYSA-N 1 1 314.345 2.291 20 5 DEBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000459711639 406014317 /nfs/dbraw/zinc/01/43/17/406014317.db2.gz MERFLGAWKZMWPX-AWEZNQCLSA-N 1 1 321.377 2.085 20 5 DEBDMO CCOc1cccc(NC[C@@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000450595779 405971824 /nfs/dbraw/zinc/97/18/24/405971824.db2.gz MMHXIQSJWKUJHS-ZDUSSCGKSA-N 1 1 323.393 2.252 20 5 DEBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC1 ZINC000532583336 406086215 /nfs/dbraw/zinc/08/62/15/406086215.db2.gz MIFCJVJLICTJAJ-UHFFFAOYSA-N 1 1 321.333 2.136 20 5 DEBDMO COC(C)(C)C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000532645274 406091725 /nfs/dbraw/zinc/09/17/25/406091725.db2.gz JFRCZEAVUGAESW-CQSZACIVSA-N 1 1 321.377 2.057 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000567910898 406158642 /nfs/dbraw/zinc/15/86/42/406158642.db2.gz JFANWQPGOWIHRN-STQMWFEESA-N 1 1 320.393 2.043 20 5 DEBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCc2[nH+]ccn21 ZINC000487560169 406246551 /nfs/dbraw/zinc/24/65/51/406246551.db2.gz PINIRVUYAZCRPH-LBPRGKRZSA-N 1 1 304.281 2.447 20 5 DEBDMO CN1CCC[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000521545778 406352842 /nfs/dbraw/zinc/35/28/42/406352842.db2.gz KSFGHGCLERDHAU-ZBFHGGJFSA-N 1 1 317.389 2.395 20 5 DEBDMO COc1cc(C[NH+]2CCC(CCO)CC2)c([N+](=O)[O-])cc1F ZINC000546636907 406369420 /nfs/dbraw/zinc/36/94/20/406369420.db2.gz YIXDMKAITDIEOA-UHFFFAOYSA-N 1 1 312.341 2.337 20 5 DEBDMO CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491686871 406669524 /nfs/dbraw/zinc/66/95/24/406669524.db2.gz SZLAPZQJKWBZNM-VCELZJIISA-N 1 1 315.373 2.303 20 5 DEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491890419 406766297 /nfs/dbraw/zinc/76/62/97/406766297.db2.gz XRGFMRYJWVDFLO-RNZFLTOJSA-N 1 1 321.352 2.300 20 5 DEBDMO CCO[C@@H]1C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000555964775 406858736 /nfs/dbraw/zinc/85/87/36/406858736.db2.gz YUOASMYWZGEGLR-ZYHUDNBSSA-N 1 1 302.277 2.463 20 5 DEBDMO C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000121026569 287035464 /nfs/dbraw/zinc/03/54/64/287035464.db2.gz GPKUODFCKXWIJE-LSDHHAIUSA-N 1 1 320.437 2.129 20 5 DEBDMO CCC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000131378176 196163619 /nfs/dbraw/zinc/16/36/19/196163619.db2.gz SRCKGBXGWHCODA-HNNXBMFYSA-N 1 1 321.377 2.424 20 5 DEBDMO C[N@@H+](C[C@H](O)COc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000290802579 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[NH3+]CC[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000904405627 643659789 /nfs/dbraw/zinc/65/97/89/643659789.db2.gz LMLPBWXIPRFKQI-SNVBAGLBSA-N 1 1 315.320 2.367 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000789544515 643746882 /nfs/dbraw/zinc/74/68/82/643746882.db2.gz GMMFDMLUMRLOJH-INIZCTEOSA-N 1 1 316.361 2.405 20 5 DEBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000905052131 643772114 /nfs/dbraw/zinc/77/21/14/643772114.db2.gz MFSITKPRKVKYSB-UHFFFAOYSA-N 1 1 312.373 2.011 20 5 DEBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789965609 643795950 /nfs/dbraw/zinc/79/59/50/643795950.db2.gz DEGCYTHVCQRKQL-SECBINFHSA-N 1 1 306.278 2.374 20 5 DEBDMO Cc1nn(C[N@@H+]2CCSCC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000790479787 643857724 /nfs/dbraw/zinc/85/77/24/643857724.db2.gz HHCCHCVYBOWRQU-JTQLQIEISA-N 1 1 321.406 2.433 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000910282505 645386697 /nfs/dbraw/zinc/38/66/97/645386697.db2.gz VAZKYINGBWOISH-ZDUSSCGKSA-N 1 1 319.405 2.388 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910280596 645387408 /nfs/dbraw/zinc/38/74/08/645387408.db2.gz MKFONDSBGOSLAL-AWEZNQCLSA-N 1 1 319.405 2.470 20 5 DEBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804578344 645792372 /nfs/dbraw/zinc/79/23/72/645792372.db2.gz HEFJGDZBSONJDL-SNVBAGLBSA-N 1 1 317.305 2.230 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000843890475 651044323 /nfs/dbraw/zinc/04/43/23/651044323.db2.gz CSKXCZODXUTVRX-NEPJUHHUSA-N 1 1 321.352 2.066 20 5 DEBDMO Cc1nn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(C)c1[N+](=O)[O-] ZINC000840116638 645989623 /nfs/dbraw/zinc/98/96/23/645989623.db2.gz PXMNWZZVZAICFV-KFWWJZLASA-N 1 1 322.409 2.381 20 5 DEBDMO Cc1[nH+]ccn1CC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912653831 646130797 /nfs/dbraw/zinc/13/07/97/646130797.db2.gz WIRRMQXAAQBJLA-UHFFFAOYSA-N 1 1 314.345 2.469 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1 ZINC000913282717 646314156 /nfs/dbraw/zinc/31/41/56/646314156.db2.gz JBQTXGDRZAKHBA-CALCHBBNSA-N 1 1 317.389 2.317 20 5 DEBDMO Cc1ccc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000913294916 646321162 /nfs/dbraw/zinc/32/11/62/646321162.db2.gz PYAVWNDPZJLAQT-CALCHBBNSA-N 1 1 317.389 2.317 20 5 DEBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000913538735 646389084 /nfs/dbraw/zinc/38/90/84/646389084.db2.gz MLVOANCEKVIDPK-PHIMTYICSA-N 1 1 309.753 2.167 20 5 DEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000913538735 646389086 /nfs/dbraw/zinc/38/90/86/646389086.db2.gz MLVOANCEKVIDPK-PHIMTYICSA-N 1 1 309.753 2.167 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000812295275 646626570 /nfs/dbraw/zinc/62/65/70/646626570.db2.gz DGFAPSLWYGXYTF-CQSZACIVSA-N 1 1 312.333 2.046 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000812295275 646626573 /nfs/dbraw/zinc/62/65/73/646626573.db2.gz DGFAPSLWYGXYTF-CQSZACIVSA-N 1 1 312.333 2.046 20 5 DEBDMO CC[C@@H](C[NH+]1CCCC1)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819078995 647579079 /nfs/dbraw/zinc/57/90/79/647579079.db2.gz PKXGKHKLWANOBI-HOCLYGCPSA-N 1 1 307.394 2.092 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000820258838 647813841 /nfs/dbraw/zinc/81/38/41/647813841.db2.gz QLQHVSZFYLFUQY-CYBMUJFWSA-N 1 1 305.378 2.378 20 5 DEBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000820688477 647894650 /nfs/dbraw/zinc/89/46/50/647894650.db2.gz SMTQDAAYNGZBDY-NOXHYTERSA-N 1 1 317.389 2.249 20 5 DEBDMO CC[N@@H+](CC(C)C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917615938 648019483 /nfs/dbraw/zinc/01/94/83/648019483.db2.gz XOTFXEGXYRPJCZ-UHFFFAOYSA-N 1 1 305.176 2.489 20 5 DEBDMO CC(C)[C@@H](C)[N@@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917615082 648019753 /nfs/dbraw/zinc/01/97/53/648019753.db2.gz GPLQIQZZWSTGAJ-MRVPVSSYSA-N 1 1 305.176 2.488 20 5 DEBDMO CNC(=O)CC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000175026107 648330200 /nfs/dbraw/zinc/33/02/00/648330200.db2.gz DPSSONHLVQPNTB-UHFFFAOYSA-N 1 1 309.341 2.082 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCCC[NH2+]3)n2)c1 ZINC000823088969 648350366 /nfs/dbraw/zinc/35/03/66/648350366.db2.gz PPFQBKPLHHHIFZ-LBPRGKRZSA-N 1 1 318.333 2.392 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CCCC[NH2+]3)n2)c1 ZINC000823088967 648350405 /nfs/dbraw/zinc/35/04/05/648350405.db2.gz PPFQBKPLHHHIFZ-GFCCVEGCSA-N 1 1 318.333 2.392 20 5 DEBDMO C[N@@H+](CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC000823994402 648508891 /nfs/dbraw/zinc/50/88/91/648508891.db2.gz RXPFYIMHFQAXPD-UHFFFAOYSA-N 1 1 321.381 2.173 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000827210628 648993280 /nfs/dbraw/zinc/99/32/80/648993280.db2.gz PRDQJYQWMHWSFN-LBPRGKRZSA-N 1 1 309.341 2.338 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC[C@H]21 ZINC000827312393 649012411 /nfs/dbraw/zinc/01/24/11/649012411.db2.gz VCUUMIADUSVGLE-ZWNOBZJWSA-N 1 1 323.780 2.414 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827327375 649014880 /nfs/dbraw/zinc/01/48/80/649014880.db2.gz BBDXNTUYQJYVON-DOMZBBRYSA-N 1 1 303.362 2.069 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000827356738 649021868 /nfs/dbraw/zinc/02/18/68/649021868.db2.gz OSMSIEGVPCKGAS-QMTHXVAHSA-N 1 1 323.780 2.414 20 5 DEBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000831547791 649609232 /nfs/dbraw/zinc/60/92/32/649609232.db2.gz WRXRCZWFPAATAX-LSDHHAIUSA-N 1 1 308.378 2.375 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000831778026 649641672 /nfs/dbraw/zinc/64/16/72/649641672.db2.gz IJSCXADZZHCLID-CABCVRRESA-N 1 1 308.403 2.456 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844326973 651112604 /nfs/dbraw/zinc/11/26/04/651112604.db2.gz LQZUTXWMLPUFFJ-CQSZACIVSA-N 1 1 319.361 2.052 20 5 DEBDMO Cc1c(CC(=O)OCC[C@@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000847822121 651420987 /nfs/dbraw/zinc/42/09/87/651420987.db2.gz UOJRMCBCLYXJHF-ZDUSSCGKSA-N 1 1 306.362 2.331 20 5 DEBDMO COc1ccc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000847829107 651422073 /nfs/dbraw/zinc/42/20/73/651422073.db2.gz HWXLQQRQWQXWGM-NSHDSACASA-N 1 1 308.334 2.102 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000848032602 651434690 /nfs/dbraw/zinc/43/46/90/651434690.db2.gz AABQYDYLKBYKAC-UHFFFAOYSA-N 1 1 309.341 2.209 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000848032602 651434691 /nfs/dbraw/zinc/43/46/91/651434691.db2.gz AABQYDYLKBYKAC-UHFFFAOYSA-N 1 1 309.341 2.209 20 5 DEBDMO C[N@@H+](CC1CC1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848474866 651461417 /nfs/dbraw/zinc/46/14/17/651461417.db2.gz KHHGFDRTGKXYHS-HNNXBMFYSA-N 1 1 303.362 2.210 20 5 DEBDMO C[N@@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)C1CCC1 ZINC000848481283 651461933 /nfs/dbraw/zinc/46/19/33/651461933.db2.gz XNVDEQAAXLAJCC-OAHLLOKOSA-N 1 1 303.362 2.353 20 5 DEBDMO C[N@@H+](C[C@H]1CCCOC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000107670869 651467339 /nfs/dbraw/zinc/46/73/39/651467339.db2.gz REAXDQIXDDGRQH-GFCCVEGCSA-N 1 1 304.350 2.260 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(Cl)n1C ZINC000848532551 651468086 /nfs/dbraw/zinc/46/80/86/651468086.db2.gz BRWFORCOIQYUME-UHFFFAOYSA-N 1 1 310.741 2.280 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000855160817 651636741 /nfs/dbraw/zinc/63/67/41/651636741.db2.gz GJNIZYWHPRVSNR-LLVKDONJSA-N 1 1 320.393 2.027 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000855166472 651639557 /nfs/dbraw/zinc/63/95/57/651639557.db2.gz KDAIVCWWUCAYDH-LLVKDONJSA-N 1 1 309.341 2.337 20 5 DEBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852424445 652398733 /nfs/dbraw/zinc/39/87/33/652398733.db2.gz CSGCCNFPUZALLP-DAXOMENPSA-N 1 1 308.378 2.111 20 5 DEBDMO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000852695691 652440552 /nfs/dbraw/zinc/44/05/52/652440552.db2.gz MAXAEEZORSBBOT-GFCCVEGCSA-N 1 1 323.368 2.471 20 5 DEBDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000852695691 652440555 /nfs/dbraw/zinc/44/05/55/652440555.db2.gz MAXAEEZORSBBOT-GFCCVEGCSA-N 1 1 323.368 2.471 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000160379761 684327227 /nfs/dbraw/zinc/32/72/27/684327227.db2.gz URPSAMCAZYXVKO-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO COC/C(C)=C/C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000929153977 693906744 /nfs/dbraw/zinc/90/67/44/693906744.db2.gz DIRCYYYZZRWMHP-VGOFMYFVSA-N 1 1 305.378 2.310 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247304387 685145220 /nfs/dbraw/zinc/14/52/20/685145220.db2.gz UXPZKHOFWBTNBR-ZIAGYGMSSA-N 1 1 312.366 2.440 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247304387 685145223 /nfs/dbraw/zinc/14/52/23/685145223.db2.gz UXPZKHOFWBTNBR-ZIAGYGMSSA-N 1 1 312.366 2.440 20 5 DEBDMO Cn1nc(CCC[N@@H+](C)CC[N+](=O)[O-])cc1-c1ccc(F)cc1 ZINC000929411762 693951708 /nfs/dbraw/zinc/95/17/08/693951708.db2.gz JLWQKKWFGBWIEW-UHFFFAOYSA-N 1 1 320.368 2.367 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860011089 685870095 /nfs/dbraw/zinc/87/00/95/685870095.db2.gz UGVBMMNSSOUZIP-CABZTGNLSA-N 1 1 323.780 2.461 20 5 DEBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000861034551 685988599 /nfs/dbraw/zinc/98/85/99/685988599.db2.gz XMPSXNBMYHFDHZ-AWEZNQCLSA-N 1 1 322.361 2.171 20 5 DEBDMO CC[NH2+][C@H](C)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000863662172 686544349 /nfs/dbraw/zinc/54/43/49/686544349.db2.gz UYBROAMAMQXFCZ-SNVBAGLBSA-N 1 1 305.338 2.303 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865127067 686946237 /nfs/dbraw/zinc/94/62/37/686946237.db2.gz ZJPGIFLCZUOSHM-NSHDSACASA-N 1 1 311.357 2.123 20 5 DEBDMO O=[N+]([O-])c1cc(CO)c(N2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000865486186 687231059 /nfs/dbraw/zinc/23/10/59/687231059.db2.gz LGCNZJWFZBNOFF-UHFFFAOYSA-N 1 1 320.324 2.333 20 5 DEBDMO C[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[N@H+](C2CC2)C1 ZINC000865839319 687350545 /nfs/dbraw/zinc/35/05/45/687350545.db2.gz KMHLBCWJVSGWLU-NSHDSACASA-N 1 1 323.368 2.147 20 5 DEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866206382 687491701 /nfs/dbraw/zinc/49/17/01/687491701.db2.gz DAXHLVXHMKZAEK-IUODEOHRSA-N 1 1 303.362 2.328 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869226564 688247001 /nfs/dbraw/zinc/24/70/01/688247001.db2.gz WEXUVONZNJLYEY-GFCCVEGCSA-N 1 1 323.368 2.265 20 5 DEBDMO Cc1cccc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871151867 688735665 /nfs/dbraw/zinc/73/56/65/688735665.db2.gz DVVPBUNOLLZBSE-UHFFFAOYSA-N 1 1 305.378 2.460 20 5 DEBDMO COCC[N@@H+](C)CCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872021970 688914474 /nfs/dbraw/zinc/91/44/74/688914474.db2.gz HDCZISVYNAVHHP-LBPRGKRZSA-N 1 1 313.373 2.353 20 5 DEBDMO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036478 688917910 /nfs/dbraw/zinc/91/79/10/688917910.db2.gz SLBNQRZAPSIOHI-VXGBXAGGSA-N 1 1 312.341 2.438 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872278645 688972380 /nfs/dbraw/zinc/97/23/80/688972380.db2.gz WRRWUYGYAUEBQK-OAHLLOKOSA-N 1 1 308.382 2.215 20 5 DEBDMO Cc1nn(CN(CC(C)C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000872744700 689081658 /nfs/dbraw/zinc/08/16/58/689081658.db2.gz XIDQOUHRMLZFTH-UHFFFAOYSA-N 1 1 323.441 2.357 20 5 DEBDMO CC(=O)c1cc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000872780123 689091408 /nfs/dbraw/zinc/09/14/08/689091408.db2.gz JSCBNSZEAFHHQR-HOTGVXAUSA-N 1 1 303.362 2.470 20 5 DEBDMO COc1cc(N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000872779854 689091995 /nfs/dbraw/zinc/09/19/95/689091995.db2.gz JAYBZOPQZNEOAD-VXGBXAGGSA-N 1 1 309.341 2.415 20 5 DEBDMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872929136 689122165 /nfs/dbraw/zinc/12/21/65/689122165.db2.gz JPASUFXJCBVGPJ-YNEHKIRRSA-N 1 1 320.393 2.438 20 5 DEBDMO Cc1ccc(C[N@H+]2[C@H](C)CC[C@@H](C(N)=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000930914287 694271073 /nfs/dbraw/zinc/27/10/73/694271073.db2.gz TXUOGYYGGBNBRJ-MBNYWOFBSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000874188224 689368760 /nfs/dbraw/zinc/36/87/60/689368760.db2.gz LZKXCGWDMMIYDO-LBPRGKRZSA-N 1 1 303.362 2.178 20 5 DEBDMO Cc1cccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874849890 689519016 /nfs/dbraw/zinc/51/90/16/689519016.db2.gz ZPWQDDBGUISRRM-ZIAGYGMSSA-N 1 1 303.362 2.212 20 5 DEBDMO Cc1c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874849609 689519203 /nfs/dbraw/zinc/51/92/03/689519203.db2.gz KKWQQPMEZUKING-LSDHHAIUSA-N 1 1 303.362 2.212 20 5 DEBDMO C[C@]([NH3+])(C(=O)N1CCC(C)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000877203905 690045190 /nfs/dbraw/zinc/04/51/90/690045190.db2.gz YQWLHJLISFMCCW-OAHLLOKOSA-N 1 1 309.341 2.119 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931198846 694337967 /nfs/dbraw/zinc/33/79/67/694337967.db2.gz RZYCWUFTWNLFFL-SNVBAGLBSA-N 1 1 302.334 2.153 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931198846 694337971 /nfs/dbraw/zinc/33/79/71/694337971.db2.gz RZYCWUFTWNLFFL-SNVBAGLBSA-N 1 1 302.334 2.153 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000931262351 694351619 /nfs/dbraw/zinc/35/16/19/694351619.db2.gz UFHIAYHTIPELQZ-ZYHUDNBSSA-N 1 1 322.365 2.208 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1(O)CCCC1 ZINC000878599173 690450941 /nfs/dbraw/zinc/45/09/41/690450941.db2.gz VODQASPFSSERTF-HNNXBMFYSA-N 1 1 322.405 2.125 20 5 DEBDMO COc1ccc(OCC[N@H+]2C[C@@H](OC)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000879320683 690618568 /nfs/dbraw/zinc/61/85/68/690618568.db2.gz KYCJNOHBTSQXHA-OCCSQVGLSA-N 1 1 324.377 2.482 20 5 DEBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000879323069 690619313 /nfs/dbraw/zinc/61/93/13/690619313.db2.gz WYAMNJIYHRWXJW-CHWSQXEVSA-N 1 1 321.377 2.423 20 5 DEBDMO O=C(C[N@@H+]1CC[C@@H]2CSC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000879558535 690670957 /nfs/dbraw/zinc/67/09/57/690670957.db2.gz KBOWZAKRDZLPPK-VXGBXAGGSA-N 1 1 321.402 2.218 20 5 DEBDMO O=C(C[N@H+]1CC[C@@H]2CSC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000879558535 690670960 /nfs/dbraw/zinc/67/09/60/690670960.db2.gz KBOWZAKRDZLPPK-VXGBXAGGSA-N 1 1 321.402 2.218 20 5 DEBDMO CC(C)(O)[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000879960795 690766990 /nfs/dbraw/zinc/76/69/90/690766990.db2.gz NQGHNTMMICMLNI-ZDUSSCGKSA-N 1 1 308.378 2.457 20 5 DEBDMO CC(C)(O)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000879964287 690769351 /nfs/dbraw/zinc/76/93/51/690769351.db2.gz WEWPUPOIWHJXIW-LLVKDONJSA-N 1 1 318.377 2.454 20 5 DEBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000879964287 690769355 /nfs/dbraw/zinc/76/93/55/690769355.db2.gz WEWPUPOIWHJXIW-LLVKDONJSA-N 1 1 318.377 2.454 20 5 DEBDMO COc1cc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3C)c([N+](=O)[O-])cc1F ZINC000880136811 690815752 /nfs/dbraw/zinc/81/57/52/690815752.db2.gz SLHDTQNDXXVMKJ-KBPBESRZSA-N 1 1 323.368 2.411 20 5 DEBDMO Cc1ccc(C[N@@H+]2CCNC(=O)CC23CCC3)cc1[N+](=O)[O-] ZINC000880166447 690827508 /nfs/dbraw/zinc/82/75/08/690827508.db2.gz FGGVIHVBZQVUFC-UHFFFAOYSA-N 1 1 303.362 2.148 20 5 DEBDMO Cc1ccc(C[N@H+]2CCNC(=O)CC23CCC3)cc1[N+](=O)[O-] ZINC000880166447 690827513 /nfs/dbraw/zinc/82/75/13/690827513.db2.gz FGGVIHVBZQVUFC-UHFFFAOYSA-N 1 1 303.362 2.148 20 5 DEBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880432758 690897342 /nfs/dbraw/zinc/89/73/42/690897342.db2.gz HLFINFQDIOALJF-GXTWGEPZSA-N 1 1 314.769 2.484 20 5 DEBDMO Cc1ccc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000880579371 690932873 /nfs/dbraw/zinc/93/28/73/690932873.db2.gz QXSSEKBUCJVHNJ-OAHLLOKOSA-N 1 1 320.389 2.267 20 5 DEBDMO O=[N+]([O-])c1ncccc1CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000931494064 694411759 /nfs/dbraw/zinc/41/17/59/694411759.db2.gz OTRXKMBSLGOOIQ-IRXDYDNUSA-N 1 1 324.384 2.449 20 5 DEBDMO CC(=O)c1c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000881869468 691176552 /nfs/dbraw/zinc/17/65/52/691176552.db2.gz ZFLYRFLVWBTALU-OLZOCXBDSA-N 1 1 319.361 2.073 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000882476529 691289830 /nfs/dbraw/zinc/28/98/30/691289830.db2.gz BHDIKZOQSQQXRT-LLVKDONJSA-N 1 1 309.391 2.141 20 5 DEBDMO COC1(OC)CCOC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000931665682 694451225 /nfs/dbraw/zinc/45/12/25/694451225.db2.gz AODDZXNBXOVJCZ-FZMZJTMJSA-N 1 1 310.350 2.023 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000883553542 691537839 /nfs/dbraw/zinc/53/78/39/691537839.db2.gz VRPSTUNVMVYKIV-NWDGAFQWSA-N 1 1 306.366 2.049 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931718543 694463648 /nfs/dbraw/zinc/46/36/48/694463648.db2.gz ATSOSVCAKCPVGG-HIFRSBDPSA-N 1 1 305.378 2.272 20 5 DEBDMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885972506 691974885 /nfs/dbraw/zinc/97/48/85/691974885.db2.gz DUFXAHRBCZWMTO-CQSZACIVSA-N 1 1 320.393 2.118 20 5 DEBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885972506 691974886 /nfs/dbraw/zinc/97/48/86/691974886.db2.gz DUFXAHRBCZWMTO-CQSZACIVSA-N 1 1 320.393 2.118 20 5 DEBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886174836 692017891 /nfs/dbraw/zinc/01/78/91/692017891.db2.gz KLEUXGKXCDFVDR-INIZCTEOSA-N 1 1 321.377 2.401 20 5 DEBDMO COc1ccc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)cc1[N+](=O)[O-] ZINC000931946684 694512497 /nfs/dbraw/zinc/51/24/97/694512497.db2.gz JIIMTIJNBSDYIK-GFCCVEGCSA-N 1 1 318.333 2.284 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@@H](c3noc(C)n3)C2)cc1[N+](=O)[O-] ZINC000931946684 694512499 /nfs/dbraw/zinc/51/24/99/694512499.db2.gz JIIMTIJNBSDYIK-GFCCVEGCSA-N 1 1 318.333 2.284 20 5 DEBDMO CC1CC[NH+](Cc2cn(-c3ccc(O)cc3[N+](=O)[O-])nn2)CC1 ZINC000887417787 692360432 /nfs/dbraw/zinc/36/04/32/692360432.db2.gz ZABCUTAPFODQTF-UHFFFAOYSA-N 1 1 317.349 2.113 20 5 DEBDMO CNc1c(C(=O)NCC[N@H+]2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000890072055 692852132 /nfs/dbraw/zinc/85/21/32/692852132.db2.gz ICVXPMGMCIIFEG-UHFFFAOYSA-N 1 1 320.393 2.098 20 5 DEBDMO C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925244242 693246511 /nfs/dbraw/zinc/24/65/11/693246511.db2.gz MYQTVUXYXFZKCA-DOMZBBRYSA-N 1 1 320.393 2.391 20 5 DEBDMO C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000925842026 693351554 /nfs/dbraw/zinc/35/15/54/693351554.db2.gz WPFDTGFVLZOXPR-HFBAOOFYSA-N 1 1 304.394 2.360 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC001345727196 1150910627 /nfs/dbraw/zinc/91/06/27/1150910627.db2.gz HEJQMTRLWLWHHO-LLVKDONJSA-N 1 1 322.365 2.161 20 5 DEBDMO Cc1cc(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC001350073090 1151322183 /nfs/dbraw/zinc/32/21/83/1151322183.db2.gz LYWMFLAXVCQOIG-IACUBPJLSA-N 1 1 318.377 2.365 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001355068633 1151977680 /nfs/dbraw/zinc/97/76/80/1151977680.db2.gz KQXWYKBWEXFWED-LBPRGKRZSA-N 1 1 323.418 2.287 20 5 DEBDMO C[N@H+]1CC[C@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001355334424 1152003910 /nfs/dbraw/zinc/00/39/10/1152003910.db2.gz WFDHGPCDRYMVHN-QMMMGPOBSA-N 1 1 307.741 2.307 20 5 DEBDMO C[N@@H+]1CCc2c(N[C@H]3CCSC3=O)ccc([N+](=O)[O-])c2C1 ZINC001167954277 779026709 /nfs/dbraw/zinc/02/67/09/779026709.db2.gz KELIKONZKGTKLZ-LBPRGKRZSA-N 1 1 307.375 2.027 20 5 DEBDMO C[N@H+]1CCc2c(N[C@H]3CCSC3=O)ccc([N+](=O)[O-])c2C1 ZINC001167954277 779026715 /nfs/dbraw/zinc/02/67/15/779026715.db2.gz KELIKONZKGTKLZ-LBPRGKRZSA-N 1 1 307.375 2.027 20 5 DEBDMO CN(C)c1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cc[nH+]1 ZINC001127649986 783493153 /nfs/dbraw/zinc/49/31/53/783493153.db2.gz OHWRGWWHEUKXDL-UHFFFAOYSA-N 1 1 304.281 2.447 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC[C@H]21 ZINC001333671290 1150076919 /nfs/dbraw/zinc/07/69/19/1150076919.db2.gz QAPXNXUOMHXVOB-XHDPSFHLSA-N 1 1 320.349 2.424 20 5 DEBDMO CC(C)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168964618 784989040 /nfs/dbraw/zinc/98/90/40/784989040.db2.gz UPMBQFVFKUYMOV-JHJVBQTASA-N 1 1 300.399 2.388 20 5 DEBDMO Cc1cccc(N2CCC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169036566 785011825 /nfs/dbraw/zinc/01/18/25/785011825.db2.gz GPUJQKGTTVVFIL-JKSUJKDBSA-N 1 1 318.421 2.348 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001169026102 785019975 /nfs/dbraw/zinc/01/99/75/785019975.db2.gz KQQQEIQDTPYLNP-ZWKOTPCHSA-N 1 1 317.433 2.292 20 5 DEBDMO Cc1nccnc1O[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169054668 785024258 /nfs/dbraw/zinc/02/42/58/785024258.db2.gz NJJGHQGIEUFIEV-RBSFLKMASA-N 1 1 320.393 2.074 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170353479 786916658 /nfs/dbraw/zinc/91/66/58/786916658.db2.gz YRELOHZHBKRBRG-DETPVDSQSA-N 1 1 306.362 2.255 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCC2OCCO2)c([N+](=O)[O-])c1 ZINC001170352080 786931640 /nfs/dbraw/zinc/93/16/40/786931640.db2.gz LBLWPQQZMXRDCW-GFCCVEGCSA-N 1 1 324.377 2.229 20 5 DEBDMO CO[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001170435057 787118467 /nfs/dbraw/zinc/11/84/67/787118467.db2.gz MZQUNYPEWABUNV-DGCLKSJQSA-N 1 1 318.333 2.302 20 5 DEBDMO C[C@@H]1COCC[C@H]1Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001170832659 789422854 /nfs/dbraw/zinc/42/28/54/789422854.db2.gz RVZXFJMICNXLJA-BXUZGUMPSA-N 1 1 305.378 2.420 20 5 DEBDMO C[C@@H]1COCC[C@H]1Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001170832659 789422856 /nfs/dbraw/zinc/42/28/56/789422856.db2.gz RVZXFJMICNXLJA-BXUZGUMPSA-N 1 1 305.378 2.420 20 5 DEBDMO CC(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072488390 790156923 /nfs/dbraw/zinc/15/69/23/790156923.db2.gz FZEYMSGJBRFNPM-UHFFFAOYSA-N 1 1 317.389 2.285 20 5 DEBDMO CC(=O)[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172911404 793543628 /nfs/dbraw/zinc/54/36/28/793543628.db2.gz BHGJYRKZQRHTAG-NVXWUHKLSA-N 1 1 318.373 2.132 20 5 DEBDMO CC(=O)[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172911404 793543633 /nfs/dbraw/zinc/54/36/33/793543633.db2.gz BHGJYRKZQRHTAG-NVXWUHKLSA-N 1 1 318.373 2.132 20 5 DEBDMO CC[N@H+]([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1COC1 ZINC001173196276 793625069 /nfs/dbraw/zinc/62/50/69/793625069.db2.gz MTQUBNKAPMYCCY-SNVBAGLBSA-N 1 1 312.341 2.394 20 5 DEBDMO 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ZTQIKECHYAVZAH-CQSZACIVSA-N 1 1 310.737 2.387 20 5 DEBDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590551412 1076650974 /nfs/dbraw/zinc/65/09/74/1076650974.db2.gz YUEVLEMHZKQTGE-JTQLQIEISA-N 1 1 304.354 2.395 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001608182353 1077604144 /nfs/dbraw/zinc/60/41/44/1077604144.db2.gz JXRKOVASTPREGE-IUODEOHRSA-N 1 1 305.378 2.251 20 5 DEBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609165908 1077781699 /nfs/dbraw/zinc/78/16/99/1077781699.db2.gz ABJFLEMGAHCMDQ-WDEREUQCSA-N 1 1 316.365 2.395 20 5 DEBDMO Cc1c(CC(=O)N2CC[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001651085865 1079788787 /nfs/dbraw/zinc/78/87/87/1079788787.db2.gz QWODSQKNBSPONR-LBPRGKRZSA-N 1 1 317.389 2.141 20 5 DEBDMO Nc1[nH+]ccc2c1CN(c1c(Cl)cncc1[N+](=O)[O-])CC2 ZINC001651509859 1079816785 /nfs/dbraw/zinc/81/67/85/1079816785.db2.gz SAXKHWDQPYLOMS-UHFFFAOYSA-N 1 1 305.725 2.183 20 5 DEBDMO O=C(NCc1c[nH+]c2n1CCC2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001651791729 1079832343 /nfs/dbraw/zinc/83/23/43/1079832343.db2.gz AJRFJRLWQQPAJK-UHFFFAOYSA-N 1 1 320.736 2.321 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C)CC2(C)C)c1 ZINC001652491540 1079878687 /nfs/dbraw/zinc/87/86/87/1079878687.db2.gz LDXAIIXJGBTLJO-ZDUSSCGKSA-N 1 1 323.418 2.387 20 5 DEBDMO O=C(C=C1CCC1)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001665271226 1081007329 /nfs/dbraw/zinc/00/73/29/1081007329.db2.gz BZCZAADILNWIFU-UHFFFAOYSA-N 1 1 315.373 2.253 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001669627335 1081460681 /nfs/dbraw/zinc/46/06/81/1081460681.db2.gz YZDMCQPRZMBDSP-GFCCVEGCSA-N 1 1 322.365 2.161 20 5 DEBDMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc[nH]c1 ZINC001272020556 1082286497 /nfs/dbraw/zinc/28/64/97/1082286497.db2.gz NZGWLNYDRXXFCO-UHFFFAOYSA-N 1 1 316.361 2.127 20 5 DEBDMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc[nH]c1 ZINC001272020556 1082286503 /nfs/dbraw/zinc/28/65/03/1082286503.db2.gz NZGWLNYDRXXFCO-UHFFFAOYSA-N 1 1 316.361 2.127 20 5 DEBDMO CCC(CC)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001274332772 1091192982 /nfs/dbraw/zinc/19/29/82/1091192982.db2.gz IXJIEJSKCPEYSJ-ZIAGYGMSSA-N 1 1 311.426 2.059 20 5 DEBDMO N[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246566871 1140969667 /nfs/dbraw/zinc/96/96/67/1140969667.db2.gz GOXWYQYYSOWQTF-OLZOCXBDSA-N 1 1 315.295 2.028 20 5 DEBDMO N[C@@]1(C(F)(F)F)CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246566871 1140969678 /nfs/dbraw/zinc/96/96/78/1140969678.db2.gz GOXWYQYYSOWQTF-OLZOCXBDSA-N 1 1 315.295 2.028 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001246566227 1140969715 /nfs/dbraw/zinc/96/97/15/1140969715.db2.gz FBPVOYFKHRTVOJ-MFKMUULPSA-N 1 1 317.311 2.491 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001246566227 1140969728 /nfs/dbraw/zinc/96/97/28/1140969728.db2.gz FBPVOYFKHRTVOJ-MFKMUULPSA-N 1 1 317.311 2.491 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN[C@H](C(F)(F)F)C1 ZINC001246983240 1141214720 /nfs/dbraw/zinc/21/47/20/1141214720.db2.gz GLZMFGPRTYWOKF-GWCFXTLKSA-N 1 1 317.311 2.362 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN[C@H](C(F)(F)F)C1 ZINC001246983240 1141214737 /nfs/dbraw/zinc/21/47/37/1141214737.db2.gz GLZMFGPRTYWOKF-GWCFXTLKSA-N 1 1 317.311 2.362 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@](O)(C4CC4)C3)nc2c1 ZINC001322186090 1141444619 /nfs/dbraw/zinc/44/46/19/1141444619.db2.gz GUJIUOAIEOOBCL-OAHLLOKOSA-N 1 1 303.318 2.083 20 5 DEBDMO CCOc1cc(-c2nnc(C[NH+](C)C)o2)c([N+](=O)[O-])cc1OC ZINC001324174892 1142022669 /nfs/dbraw/zinc/02/26/69/1142022669.db2.gz UECPOGVOCZDJKQ-UHFFFAOYSA-N 1 1 322.321 2.114 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001336887534 1142617415 /nfs/dbraw/zinc/61/74/15/1142617415.db2.gz UTLXMTAYLPWVKQ-SGIREYDYSA-N 1 1 305.378 2.493 20 5 DEBDMO COc1cc(C(=O)NC[C@H]2CCCC[N@H+]2C)cc([N+](=O)[O-])c1C ZINC001337559038 1142768739 /nfs/dbraw/zinc/76/87/39/1142768739.db2.gz ZMMGRUHXHYFXPH-CYBMUJFWSA-N 1 1 321.377 2.126 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCC4(COC4)C3)CC2)cc1 ZINC001254474682 1143131474 /nfs/dbraw/zinc/13/14/74/1143131474.db2.gz SQSVPYIERWHTDQ-UHFFFAOYSA-N 1 1 317.389 2.286 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001254558236 1143248041 /nfs/dbraw/zinc/24/80/41/1143248041.db2.gz DWZHJMAAZLZYCR-HIFRSBDPSA-N 1 1 315.377 2.454 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001254559327 1143248743 /nfs/dbraw/zinc/24/87/43/1143248743.db2.gz XAWZUUUXOITLIW-APHBMKBZSA-N 1 1 317.389 2.221 20 5 DEBDMO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254576999 1143261445 /nfs/dbraw/zinc/26/14/45/1143261445.db2.gz BFJZADWNYFPTJH-JONQDZQNSA-N 1 1 301.390 2.277 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@](O)(CF)CC1)C2 ZINC001254600732 1143274160 /nfs/dbraw/zinc/27/41/60/1143274160.db2.gz VHTXVUCBYCITQC-CVEARBPZSA-N 1 1 308.353 2.249 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC001254603824 1143276695 /nfs/dbraw/zinc/27/66/95/1143276695.db2.gz RBBJLKCADBLDGN-IAOVAPTHSA-N 1 1 301.390 2.088 20 5 DEBDMO CN1C[C@@H]2CCC[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC001254603824 1143276707 /nfs/dbraw/zinc/27/67/07/1143276707.db2.gz RBBJLKCADBLDGN-IAOVAPTHSA-N 1 1 301.390 2.088 20 5 DEBDMO CN1C[C@@H]2CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC001254603824 1143276718 /nfs/dbraw/zinc/27/67/18/1143276718.db2.gz RBBJLKCADBLDGN-IAOVAPTHSA-N 1 1 301.390 2.088 20 5 DEBDMO CCC[N@H+](CC(=O)OCC)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254608944 1143279749 /nfs/dbraw/zinc/27/97/49/1143279749.db2.gz UDUSQTNZZBIKFT-HNNXBMFYSA-N 1 1 306.362 2.337 20 5 DEBDMO CCC[N@@H+](CC(=O)OCC)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254608944 1143279759 /nfs/dbraw/zinc/27/97/59/1143279759.db2.gz UDUSQTNZZBIKFT-HNNXBMFYSA-N 1 1 306.362 2.337 20 5 DEBDMO O=C1CC[C@@]2(CCC[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)O1 ZINC001254609615 1143281750 /nfs/dbraw/zinc/28/17/50/1143281750.db2.gz YDRAWPGPXUVOHN-NVXWUHKLSA-N 1 1 316.357 2.234 20 5 DEBDMO COc1cc(N2CCC[N@H+]3CCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC001341539088 1143624772 /nfs/dbraw/zinc/62/47/72/1143624772.db2.gz UWIPKNASFAGTBB-NSHDSACASA-N 1 1 309.341 2.417 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001261498686 1144252693 /nfs/dbraw/zinc/25/26/93/1144252693.db2.gz NDDXNHWQQNNYTM-LBPRGKRZSA-N 1 1 321.352 2.353 20 5 DEBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H](CF)C2)nc1-c1ccncc1 ZINC001262051128 1144287556 /nfs/dbraw/zinc/28/75/56/1144287556.db2.gz FWXXFSPDOJVBQJ-LBPRGKRZSA-N 1 1 319.340 2.492 20 5 DEBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@H](CF)C2)nc1-c1ccncc1 ZINC001262051128 1144287559 /nfs/dbraw/zinc/28/75/59/1144287559.db2.gz FWXXFSPDOJVBQJ-LBPRGKRZSA-N 1 1 319.340 2.492 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C(C)(C)C1 ZINC001304041683 1147342863 /nfs/dbraw/zinc/34/28/63/1147342863.db2.gz REMBMJWKWDMGJW-AWEZNQCLSA-N 1 1 305.378 2.363 20 5 DEBDMO CN(C)c1ncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC001308328972 1147466705 /nfs/dbraw/zinc/46/67/05/1147466705.db2.gz QOMDDPWSRBUXMI-UHFFFAOYSA-N 1 1 321.768 2.394 20 5 DEBDMO C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C[C@H]2C1 ZINC000278279570 214064328 /nfs/dbraw/zinc/06/43/28/214064328.db2.gz BPPWIVQDSFBFNB-AOOOYVTPSA-N 1 1 313.304 2.194 20 5 DEBDMO CC[N@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000612451829 361832678 /nfs/dbraw/zinc/83/26/78/361832678.db2.gz QNVLTXYVOFMXDA-LLVKDONJSA-N 1 1 301.350 2.068 20 5 DEBDMO C[C@H](NCc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000612489228 361841333 /nfs/dbraw/zinc/84/13/33/361841333.db2.gz ZCRUBRLSMDHOCN-STQMWFEESA-N 1 1 321.425 2.071 20 5 DEBDMO O=[N+]([O-])c1cnc(NCC[NH+]2CCCC2)c(Br)c1 ZINC000081941472 192344032 /nfs/dbraw/zinc/34/40/32/192344032.db2.gz NTJYYXVKLFIAMD-UHFFFAOYSA-N 1 1 315.171 2.260 20 5 DEBDMO C[C@H]1c2ccccc2CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090529736 185300579 /nfs/dbraw/zinc/30/05/79/185300579.db2.gz CMWVXWHXNCEZCZ-ZDUSSCGKSA-N 1 1 313.357 2.376 20 5 DEBDMO Cc1ccc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272811997 210212399 /nfs/dbraw/zinc/21/23/99/210212399.db2.gz WFKVMJSVNLVQMB-LBPRGKRZSA-N 1 1 303.362 2.283 20 5 DEBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000286661968 219110395 /nfs/dbraw/zinc/11/03/95/219110395.db2.gz UQBNXYIOEZLEDZ-PASATYPHSA-N 1 1 318.373 2.329 20 5 DEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413170788 529861338 /nfs/dbraw/zinc/86/13/38/529861338.db2.gz AFKJXNZNEFXFHG-LBPRGKRZSA-N 1 1 308.357 2.297 20 5 DEBDMO CN(CCOc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442786220 529925868 /nfs/dbraw/zinc/92/58/68/529925868.db2.gz WZVGOUHMILIDJP-NNQSOWQGSA-N 1 1 305.378 2.188 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149167311 186047650 /nfs/dbraw/zinc/04/76/50/186047650.db2.gz PUBAXWBFADNBLL-JTQLQIEISA-N 1 1 311.769 2.320 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149237287 186048407 /nfs/dbraw/zinc/04/84/07/186048407.db2.gz ZYLMVTLXZUWSCZ-JTQLQIEISA-N 1 1 311.769 2.320 20 5 DEBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000172173955 198052749 /nfs/dbraw/zinc/05/27/49/198052749.db2.gz RJWGXHITIQDUKD-HNNXBMFYSA-N 1 1 321.377 2.059 20 5 DEBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000172173955 198052751 /nfs/dbraw/zinc/05/27/51/198052751.db2.gz RJWGXHITIQDUKD-HNNXBMFYSA-N 1 1 321.377 2.059 20 5 DEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000277168058 213342087 /nfs/dbraw/zinc/34/20/87/213342087.db2.gz UDARTUVNSBTLOT-ZDUSSCGKSA-N 1 1 324.400 2.419 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000595511841 358470915 /nfs/dbraw/zinc/47/09/15/358470915.db2.gz RUAWDHLGFQSZCA-CYBMUJFWSA-N 1 1 309.410 2.121 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](C3CC3)C3(CO)CCC3)nc2c1 ZINC000595534236 358476031 /nfs/dbraw/zinc/47/60/31/358476031.db2.gz RMHKKOANEXTEID-UHFFFAOYSA-N 1 1 316.361 2.351 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000174519723 198345635 /nfs/dbraw/zinc/34/56/35/198345635.db2.gz ZKCPJCGEUGQVSG-LLVKDONJSA-N 1 1 311.407 2.379 20 5 DEBDMO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000174731947 198377026 /nfs/dbraw/zinc/37/70/26/198377026.db2.gz OGIQERLFSVQWTC-ZDUSSCGKSA-N 1 1 324.402 2.384 20 5 DEBDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000174731947 198377027 /nfs/dbraw/zinc/37/70/27/198377027.db2.gz OGIQERLFSVQWTC-ZDUSSCGKSA-N 1 1 324.402 2.384 20 5 DEBDMO CCCC[N@@H+](CCCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182164443 199396577 /nfs/dbraw/zinc/39/65/77/199396577.db2.gz UHULUTFEGXRPLH-UHFFFAOYSA-N 1 1 323.393 2.408 20 5 DEBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617724553 363234677 /nfs/dbraw/zinc/23/46/77/363234677.db2.gz QJKUUAQBYLQTND-WFASDCNBSA-N 1 1 317.389 2.299 20 5 DEBDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000030149384 354120123 /nfs/dbraw/zinc/12/01/23/354120123.db2.gz NAZBGVXVDDMIDZ-JTQLQIEISA-N 1 1 323.349 2.238 20 5 DEBDMO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000047145579 354308475 /nfs/dbraw/zinc/30/84/75/354308475.db2.gz VGDFGFIFKNLCTD-LBPRGKRZSA-N 1 1 305.378 2.365 20 5 DEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000050995300 354377648 /nfs/dbraw/zinc/37/76/48/354377648.db2.gz CWKXZQHPUTVGCO-OAHLLOKOSA-N 1 1 319.405 2.376 20 5 DEBDMO O=[N+]([O-])c1cccc(CN2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000051958542 354391547 /nfs/dbraw/zinc/39/15/47/354391547.db2.gz IQFWHZBVIKXMSX-UHFFFAOYSA-N 1 1 319.405 2.139 20 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306.366 2.399 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CO)CC1 ZINC000293354571 356389273 /nfs/dbraw/zinc/38/92/73/356389273.db2.gz ZNVQRJSCNLFVNI-STQMWFEESA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CO)CC1 ZINC000293354571 356389276 /nfs/dbraw/zinc/38/92/76/356389276.db2.gz ZNVQRJSCNLFVNI-STQMWFEESA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000293535518 356389320 /nfs/dbraw/zinc/38/93/20/356389320.db2.gz XJYFWJCDIYOBFR-OKILXGFUSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000293535518 356389324 /nfs/dbraw/zinc/38/93/24/356389324.db2.gz XJYFWJCDIYOBFR-OKILXGFUSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000293535518 356389327 /nfs/dbraw/zinc/38/93/27/356389327.db2.gz XJYFWJCDIYOBFR-OKILXGFUSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000319099766 356439701 /nfs/dbraw/zinc/43/97/01/356439701.db2.gz KFFHKUPBUQEWQH-SNVBAGLBSA-N 1 1 301.350 2.433 20 5 DEBDMO CCC[N@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276902341 213163647 /nfs/dbraw/zinc/16/36/47/213163647.db2.gz LUVOQQNVKMSLBR-UHFFFAOYSA-N 1 1 323.393 2.294 20 5 DEBDMO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276902341 213163650 /nfs/dbraw/zinc/16/36/50/213163650.db2.gz LUVOQQNVKMSLBR-UHFFFAOYSA-N 1 1 323.393 2.294 20 5 DEBDMO CCOc1cc(C[N@H+]2CCC[C@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000276851611 213134164 /nfs/dbraw/zinc/13/41/64/213134164.db2.gz DTISQIREUWJKOQ-ZDUSSCGKSA-N 1 1 322.361 2.379 20 5 DEBDMO Cc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)c(F)cc1[N+](=O)[O-] ZINC000589684379 357489327 /nfs/dbraw/zinc/48/93/27/357489327.db2.gz CBVNUAHQUQNEBG-CYBMUJFWSA-N 1 1 323.368 2.343 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000590972313 357656441 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DEBDMO CC(C)Oc1nc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000594576828 358296155 /nfs/dbraw/zinc/29/61/55/358296155.db2.gz BGTQIRVHGXDOOK-OCCSQVGLSA-N 1 1 320.393 2.307 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000594713449 358323229 /nfs/dbraw/zinc/32/32/29/358323229.db2.gz FXOBHBNVSNDBLF-IHRRRGAJSA-N 1 1 306.362 2.209 20 5 DEBDMO COCCOC[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595324667 358423020 /nfs/dbraw/zinc/42/30/20/358423020.db2.gz FLTDDTUATBVRKQ-LBPRGKRZSA-N 1 1 312.341 2.219 20 5 DEBDMO COCCO[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595391015 358438558 /nfs/dbraw/zinc/43/85/58/358438558.db2.gz BNYWYBAACQXWHV-AWEZNQCLSA-N 1 1 312.341 2.361 20 5 DEBDMO COCCO[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595391015 358438561 /nfs/dbraw/zinc/43/85/61/358438561.db2.gz BNYWYBAACQXWHV-AWEZNQCLSA-N 1 1 312.341 2.361 20 5 DEBDMO CCC1(CC)CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595752807 358540392 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20 5 DEBDMO COc1c(C)c[nH+]c(CN(C)c2cc[nH]c(=O)c2[N+](=O)[O-])c1C ZINC000596118262 358615388 /nfs/dbraw/zinc/61/53/88/358615388.db2.gz UYXIEWUHPXNEEK-UHFFFAOYSA-N 1 1 318.333 2.352 20 5 DEBDMO O=c1[nH]ccc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596558574 358712993 /nfs/dbraw/zinc/71/29/93/358712993.db2.gz RBEHBTULANCIIQ-ZDUSSCGKSA-N 1 1 314.345 2.382 20 5 DEBDMO NC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000596648237 358732309 /nfs/dbraw/zinc/73/23/09/358732309.db2.gz MXZWERZSNWKPSR-CHWSQXEVSA-N 1 1 307.398 2.136 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000597922546 359041613 /nfs/dbraw/zinc/04/16/13/359041613.db2.gz FYAKBBDCMGOMLT-CYBMUJFWSA-N 1 1 305.378 2.126 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598217739 359126675 /nfs/dbraw/zinc/12/66/75/359126675.db2.gz ASLGLSPFNLKQHY-NSHDSACASA-N 1 1 306.366 2.060 20 5 DEBDMO C[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000598912196 359355233 /nfs/dbraw/zinc/35/52/33/359355233.db2.gz ODLQTLNSFXVGTG-GHMZBOCLSA-N 1 1 304.350 2.308 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1CNC(C)=O ZINC000599689311 359573949 /nfs/dbraw/zinc/57/39/49/359573949.db2.gz ITKJFPMNUVJWLQ-OAHLLOKOSA-N 1 1 321.377 2.094 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1CNC(C)=O ZINC000599689311 359573952 /nfs/dbraw/zinc/57/39/52/359573952.db2.gz ITKJFPMNUVJWLQ-OAHLLOKOSA-N 1 1 321.377 2.094 20 5 DEBDMO CC(=O)NC[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000599701333 359578595 /nfs/dbraw/zinc/57/85/95/359578595.db2.gz IOGZCBVTCJMEOI-INIZCTEOSA-N 1 1 305.378 2.128 20 5 DEBDMO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000599704215 359579718 /nfs/dbraw/zinc/57/97/18/359579718.db2.gz RFKJFQIWHMPEFH-OAHLLOKOSA-N 1 1 305.378 2.394 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)(CO)CC1 ZINC000186957838 200038721 /nfs/dbraw/zinc/03/87/21/200038721.db2.gz NPFMNNYSLVBINR-LBPRGKRZSA-N 1 1 321.377 2.016 20 5 DEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187858270 200167674 /nfs/dbraw/zinc/16/76/74/200167674.db2.gz SFSPSHQQSOCEFF-GFCCVEGCSA-N 1 1 320.393 2.123 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCCO)Cc2ccccn2)cc1 ZINC000281144411 216109272 /nfs/dbraw/zinc/10/92/72/216109272.db2.gz ZJKKQOFRKAFIBQ-UHFFFAOYSA-N 1 1 301.346 2.374 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+](CCCO)Cc2ccccn2)cc1 ZINC000281144411 216109274 /nfs/dbraw/zinc/10/92/74/216109274.db2.gz ZJKKQOFRKAFIBQ-UHFFFAOYSA-N 1 1 301.346 2.374 20 5 DEBDMO Cc1ccoc1C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292380420 223036554 /nfs/dbraw/zinc/03/65/54/223036554.db2.gz RORXIKOSHBKWDZ-ZDUSSCGKSA-N 1 1 320.345 2.368 20 5 DEBDMO CC(C)NC(=O)CN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601101204 359920094 /nfs/dbraw/zinc/92/00/94/359920094.db2.gz SUNPELPHKJHZBC-UHFFFAOYSA-N 1 1 302.334 2.104 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000601191063 359958197 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O=C(CC[N@@H+]1CCC[C@H](CCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609848966 361344307 /nfs/dbraw/zinc/34/43/07/361344307.db2.gz VMPZQZONSIEEMT-CYBMUJFWSA-N 1 1 321.377 2.018 20 5 DEBDMO CC(C)[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000611395413 361590511 /nfs/dbraw/zinc/59/05/11/361590511.db2.gz KRRPEBMHQPELHU-HNNXBMFYSA-N 1 1 323.368 2.471 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195130703 201343765 /nfs/dbraw/zinc/34/37/65/201343765.db2.gz KDBKUHYWGPHYMI-LBPRGKRZSA-N 1 1 320.393 2.171 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000619567157 363828041 /nfs/dbraw/zinc/82/80/41/363828041.db2.gz WUWMLMAEHMGBKN-ZDUSSCGKSA-N 1 1 321.377 2.160 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000340991540 284053192 /nfs/dbraw/zinc/05/31/92/284053192.db2.gz MAIHXTDWACNRLX-LLVKDONJSA-N 1 1 315.329 2.308 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451703302 243340061 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CCO[C@H]1C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000555964774 291809435 /nfs/dbraw/zinc/80/94/35/291809435.db2.gz YUOASMYWZGEGLR-PWSUYJOCSA-N 1 1 302.277 2.463 20 5 DEBDMO COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000356813776 207395482 /nfs/dbraw/zinc/39/54/82/207395482.db2.gz QLTNQTRSFVXJCM-NSHDSACASA-N 1 1 309.366 2.062 20 5 DEBDMO Cc1cccnc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000538967291 285065200 /nfs/dbraw/zinc/06/52/00/285065200.db2.gz GNUFHUGLBVAHMZ-UHFFFAOYSA-N 1 1 313.361 2.015 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000270154299 208215799 /nfs/dbraw/zinc/21/57/99/208215799.db2.gz ROEHOWALKUQCGX-WFASDCNBSA-N 1 1 321.377 2.016 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CN(c1[nH+]cnc3[nH]ccc31)CCO2 ZINC000357772204 285143129 /nfs/dbraw/zinc/14/31/29/285143129.db2.gz ABJFHVLMKJPISB-UHFFFAOYSA-N 1 1 311.301 2.265 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000368269317 285189193 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CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000359768730 133143757 /nfs/dbraw/zinc/14/37/57/133143757.db2.gz WGNHCEPNFQCZTG-LBPRGKRZSA-N 1 1 323.393 2.454 20 5 DEBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000361925932 133199886 /nfs/dbraw/zinc/19/98/86/133199886.db2.gz INGJVLNNXGBCNY-KBPBESRZSA-N 1 1 303.362 2.260 20 5 DEBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000362048286 133207307 /nfs/dbraw/zinc/20/73/07/133207307.db2.gz OOOGXQOKAJWUHN-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000362048286 133207308 /nfs/dbraw/zinc/20/73/08/133207308.db2.gz OOOGXQOKAJWUHN-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000362550194 133237972 /nfs/dbraw/zinc/23/79/72/133237972.db2.gz DRBRBRIUCHYDIX-STQMWFEESA-N 1 1 310.398 2.354 20 5 DEBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000362550194 133237973 /nfs/dbraw/zinc/23/79/73/133237973.db2.gz DRBRBRIUCHYDIX-STQMWFEESA-N 1 1 310.398 2.354 20 5 DEBDMO C[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000368536885 133277218 /nfs/dbraw/zinc/27/72/18/133277218.db2.gz FLROCLRCMSMQHU-RCBQFDQVSA-N 1 1 305.378 2.109 20 5 DEBDMO CN(C(=O)C[N@H+]1CCC[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000377547139 133334039 /nfs/dbraw/zinc/33/40/39/133334039.db2.gz WMIYFJPXSOBVLD-HNNXBMFYSA-N 1 1 303.362 2.432 20 5 DEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000247728925 145143573 /nfs/dbraw/zinc/14/35/73/145143573.db2.gz UAMZTGBEFGZTHP-OLZOCXBDSA-N 1 1 321.377 2.423 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248072876 145147992 /nfs/dbraw/zinc/14/79/92/145147992.db2.gz MRSKEIQGBKQQDE-CMPLNLGQSA-N 1 1 309.391 2.213 20 5 DEBDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255262885 145203832 /nfs/dbraw/zinc/20/38/32/145203832.db2.gz DTUDKTXZVLCULM-GTBONMDNSA-N 1 1 303.362 2.161 20 5 DEBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255262885 145203833 /nfs/dbraw/zinc/20/38/33/145203833.db2.gz DTUDKTXZVLCULM-GTBONMDNSA-N 1 1 303.362 2.161 20 5 DEBDMO C[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751260 145363665 /nfs/dbraw/zinc/36/36/65/145363665.db2.gz HXECMHDWEZLRFA-RCBQFDQVSA-N 1 1 305.378 2.109 20 5 DEBDMO C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751260 145363666 /nfs/dbraw/zinc/36/36/66/145363666.db2.gz HXECMHDWEZLRFA-RCBQFDQVSA-N 1 1 305.378 2.109 20 5 DEBDMO C[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1C ZINC000322233953 145378608 /nfs/dbraw/zinc/37/86/08/145378608.db2.gz YSMKLPWWASUTKG-PWSUYJOCSA-N 1 1 318.377 2.374 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000346759107 146138514 /nfs/dbraw/zinc/13/85/14/146138514.db2.gz AMPOVALOPKMXJO-NEPJUHHUSA-N 1 1 321.377 2.158 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@](C)(O)CC1 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Cc1nc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000301720438 403669707 /nfs/dbraw/zinc/66/97/07/403669707.db2.gz PWMQBZJMJMESSN-CYBMUJFWSA-N 1 1 315.377 2.491 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(N)=O)CC1 ZINC000347366086 403682227 /nfs/dbraw/zinc/68/22/27/403682227.db2.gz VJOLSMQWQKKTCV-JLHYYAGUSA-N 1 1 318.377 2.085 20 5 DEBDMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000343692341 403695627 /nfs/dbraw/zinc/69/56/27/403695627.db2.gz USBDUUJBIDYZCM-NSHDSACASA-N 1 1 310.350 2.377 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000294332408 403705249 /nfs/dbraw/zinc/70/52/49/403705249.db2.gz XNXSKEURDFFFNH-QGZVFWFLSA-N 1 1 317.389 2.461 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289072344 403823249 /nfs/dbraw/zinc/82/32/49/403823249.db2.gz NONYMBOKPJXRIF-NSHDSACASA-N 1 1 308.382 2.226 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000341205975 403832179 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C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000344071362 403889113 /nfs/dbraw/zinc/88/91/13/403889113.db2.gz RZPGAKKGSHDQHI-GFCCVEGCSA-N 1 1 303.362 2.482 20 5 DEBDMO CC(C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000411767557 403963021 /nfs/dbraw/zinc/96/30/21/403963021.db2.gz FXJOQWRZMGOOQC-UHFFFAOYSA-N 1 1 307.350 2.033 20 5 DEBDMO Cc1nc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295410196 403910144 /nfs/dbraw/zinc/91/01/44/403910144.db2.gz DCJWZDFYQQLFIJ-GRYCIOLGSA-N 1 1 307.398 2.472 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000305754678 403929673 /nfs/dbraw/zinc/92/96/73/403929673.db2.gz WNCZMJWCNROOIM-UHFFFAOYSA-N 1 1 309.366 2.016 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000411720459 403950114 /nfs/dbraw/zinc/95/01/14/403950114.db2.gz PYPNLDBYFSXYDZ-AWEZNQCLSA-N 1 1 307.350 2.034 20 5 DEBDMO COC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411808876 403976860 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DEBDMO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344342739 404070389 /nfs/dbraw/zinc/07/03/89/404070389.db2.gz AJNPTICOXYZZSS-QWRGUYRKSA-N 1 1 314.769 2.484 20 5 DEBDMO COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344342739 404070396 /nfs/dbraw/zinc/07/03/96/404070396.db2.gz AJNPTICOXYZZSS-QWRGUYRKSA-N 1 1 314.769 2.484 20 5 DEBDMO CS[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000296368392 404215004 /nfs/dbraw/zinc/21/50/04/404215004.db2.gz RGXACUZFLOEMDT-MFKMUULPSA-N 1 1 309.391 2.359 20 5 DEBDMO CS[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000296368392 404215015 /nfs/dbraw/zinc/21/50/15/404215015.db2.gz RGXACUZFLOEMDT-MFKMUULPSA-N 1 1 309.391 2.359 20 5 DEBDMO CS[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000296368405 404215238 /nfs/dbraw/zinc/21/52/38/404215238.db2.gz RGXACUZFLOEMDT-ZWNOBZJWSA-N 1 1 309.391 2.359 20 5 DEBDMO CS[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000296368405 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20 5 DEBDMO C[C@@H]1CCCN1C(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000438831186 274292247 /nfs/dbraw/zinc/29/22/47/274292247.db2.gz JGLSNGJKAIZXMU-CYBMUJFWSA-N 1 1 305.378 2.428 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000188076178 276212409 /nfs/dbraw/zinc/21/24/09/276212409.db2.gz FGVPUBWVOGLLPJ-NSHDSACASA-N 1 1 323.418 2.388 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000164602121 277182657 /nfs/dbraw/zinc/18/26/57/277182657.db2.gz KMPVUURIRVLTMO-HIFRSBDPSA-N 1 1 303.362 2.151 20 5 DEBDMO C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292155105 300297756 /nfs/dbraw/zinc/29/77/56/300297756.db2.gz CPVZYLKTCQFOAC-GFCCVEGCSA-N 1 1 304.394 2.488 20 5 DEBDMO C[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000573582605 326072715 /nfs/dbraw/zinc/07/27/15/326072715.db2.gz WUSPTHKAYNSPNP-UHFFFAOYSA-N 1 1 305.378 2.080 20 5 DEBDMO C[C@H](C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000573744980 326088360 /nfs/dbraw/zinc/08/83/60/326088360.db2.gz WGNOWWYVCFZUKK-OBJOEFQTSA-N 1 1 317.389 2.440 20 5 DEBDMO Cc1cc(F)c(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000296637759 533811816 /nfs/dbraw/zinc/81/18/16/533811816.db2.gz DCQBCAAZNJJTAT-LLVKDONJSA-N 1 1 322.340 2.354 20 5 DEBDMO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444592253 533833839 /nfs/dbraw/zinc/83/38/39/533833839.db2.gz CJDDGKZXFATVDT-QMTHXVAHSA-N 1 1 304.350 2.206 20 5 DEBDMO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444592253 533833843 /nfs/dbraw/zinc/83/38/43/533833843.db2.gz CJDDGKZXFATVDT-QMTHXVAHSA-N 1 1 304.350 2.206 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000330791926 534078067 /nfs/dbraw/zinc/07/80/67/534078067.db2.gz AZEZBKIAHYRFPA-PHIMTYICSA-N 1 1 307.350 2.415 20 5 DEBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000429777156 534175177 /nfs/dbraw/zinc/17/51/77/534175177.db2.gz VCMUGTHPFJTLLI-ZIAGYGMSSA-N 1 1 308.378 2.457 20 5 DEBDMO COc1cc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1C ZINC000191149456 518130642 /nfs/dbraw/zinc/13/06/42/518130642.db2.gz RQJZCJVHXLSAKD-JTQLQIEISA-N 1 1 321.377 2.124 20 5 DEBDMO CC(=O)c1cc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000367718705 518291796 /nfs/dbraw/zinc/29/17/96/518291796.db2.gz ZEOSOKVWOTUTCL-UONOGXRCSA-N 1 1 319.361 2.073 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338168805 519853789 /nfs/dbraw/zinc/85/37/89/519853789.db2.gz HCHLZBMWOONVRQ-INIZCTEOSA-N 1 1 319.405 2.470 20 5 DEBDMO CCOCC[N@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157467754 519910897 /nfs/dbraw/zinc/91/08/97/519910897.db2.gz SAZLSDUNMRAKQT-LBPRGKRZSA-N 1 1 309.366 2.280 20 5 DEBDMO CCOCC[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157467754 519910900 /nfs/dbraw/zinc/91/09/00/519910900.db2.gz SAZLSDUNMRAKQT-LBPRGKRZSA-N 1 1 309.366 2.280 20 5 DEBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000338444604 520585309 /nfs/dbraw/zinc/58/53/09/520585309.db2.gz ZAMGDVZRRHSMTG-GFCCVEGCSA-N 1 1 308.382 2.307 20 5 DEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc2c(c1)OCO2 ZINC000157540669 521183258 /nfs/dbraw/zinc/18/32/58/521183258.db2.gz QOSISIFVGDIPPE-UHFFFAOYSA-N 1 1 318.333 2.042 20 5 DEBDMO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000356321028 524714735 /nfs/dbraw/zinc/71/47/35/524714735.db2.gz FWQPVPOUIBTOQQ-NEPJUHHUSA-N 1 1 321.377 2.293 20 5 DEBDMO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000356321028 524714745 /nfs/dbraw/zinc/71/47/45/524714745.db2.gz FWQPVPOUIBTOQQ-NEPJUHHUSA-N 1 1 321.377 2.293 20 5 DEBDMO Cc1c(CC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000161707559 525691984 /nfs/dbraw/zinc/69/19/84/525691984.db2.gz BMGWJEAJCDOYRE-CYBMUJFWSA-N 1 1 319.405 2.294 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@H](C)C1 ZINC000245402430 526160462 /nfs/dbraw/zinc/16/04/62/526160462.db2.gz IBMGBWXGZGWAPW-VXGBXAGGSA-N 1 1 307.350 2.033 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCO[C@H](C)C1 ZINC000245402430 526160468 /nfs/dbraw/zinc/16/04/68/526160468.db2.gz IBMGBWXGZGWAPW-VXGBXAGGSA-N 1 1 307.350 2.033 20 5 DEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000129739439 527403996 /nfs/dbraw/zinc/40/39/96/527403996.db2.gz DFDQGLDIRIXQIO-UHFFFAOYSA-N 1 1 320.324 2.449 20 5 DEBDMO CC(C)[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000444710552 527857188 /nfs/dbraw/zinc/85/71/88/527857188.db2.gz VOWFWBHOCYTZGE-OAHLLOKOSA-N 1 1 317.393 2.243 20 5 DEBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301961032 528022185 /nfs/dbraw/zinc/02/21/85/528022185.db2.gz MMRSLGXXQHRNLW-LBPRGKRZSA-N 1 1 318.381 2.027 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358437082 535221548 /nfs/dbraw/zinc/22/15/48/535221548.db2.gz ANGFIPAPXPUERL-UHFFFAOYSA-N 1 1 322.409 2.434 20 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624146950 /nfs/dbraw/zinc/14/69/50/624146950.db2.gz GXYAFEQUGCAJIG-UHFFFAOYSA-N 1 1 324.377 2.436 20 5 DEBDMO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)[N@@H+](C)Cc1ccccc1 ZINC000892459839 625714141 /nfs/dbraw/zinc/71/41/41/625714141.db2.gz IZYZCTAYDYDMCH-LBPRGKRZSA-N 1 1 303.366 2.261 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934256054 624805761 /nfs/dbraw/zinc/80/57/61/624805761.db2.gz ZQJIRMPDBSULJH-KBRIMQKVSA-N 1 1 319.405 2.187 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934256054 624805763 /nfs/dbraw/zinc/80/57/63/624805763.db2.gz ZQJIRMPDBSULJH-KBRIMQKVSA-N 1 1 319.405 2.187 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934256054 624805765 /nfs/dbraw/zinc/80/57/65/624805765.db2.gz ZQJIRMPDBSULJH-KBRIMQKVSA-N 1 1 319.405 2.187 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)[C@H](CO)C(C)(C)C)c1[N+](=O)[O-] ZINC000892174886 624815848 /nfs/dbraw/zinc/81/58/48/624815848.db2.gz HCNOLXQWZSWOOT-GFCCVEGCSA-N 1 1 312.366 2.148 20 5 DEBDMO C[C@]1(C2CC2)COCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000934479689 624889799 /nfs/dbraw/zinc/88/97/99/624889799.db2.gz BJLOBIUVEVFNNA-MRXNPFEDSA-N 1 1 306.362 2.475 20 5 DEBDMO C[C@]1(C2CC2)COCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000934479689 624889800 /nfs/dbraw/zinc/88/98/00/624889800.db2.gz BJLOBIUVEVFNNA-MRXNPFEDSA-N 1 1 306.362 2.475 20 5 DEBDMO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000892540102 625126560 /nfs/dbraw/zinc/12/65/60/625126560.db2.gz BRPWJUBBOARWAE-AWEZNQCLSA-N 1 1 315.377 2.405 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnn(CCF)c1 ZINC000921688530 634712863 /nfs/dbraw/zinc/71/28/63/634712863.db2.gz ZMDXHVXJUHIGBY-UHFFFAOYSA-N 1 1 308.313 2.059 20 5 DEBDMO CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]2CC1 ZINC000946419327 634050528 /nfs/dbraw/zinc/05/05/28/634050528.db2.gz QNBPNDUOJKCKGF-IYBDPMFKSA-N 1 1 317.389 2.285 20 5 DEBDMO COCC1=CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000893680249 635761321 /nfs/dbraw/zinc/76/13/21/635761321.db2.gz KNMFOKNTWMKYKP-UHFFFAOYSA-N 1 1 308.334 2.088 20 5 DEBDMO COCC1=CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000893680249 635761323 /nfs/dbraw/zinc/76/13/23/635761323.db2.gz KNMFOKNTWMKYKP-UHFFFAOYSA-N 1 1 308.334 2.088 20 5 DEBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000837578959 650224203 /nfs/dbraw/zinc/22/42/03/650224203.db2.gz SYQSBCDONRWYIT-CYBMUJFWSA-N 1 1 307.350 2.410 20 5 DEBDMO CCC(=O)c1ccc(N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893938178 636069567 /nfs/dbraw/zinc/06/95/67/636069567.db2.gz BWGMCDNYYJWVJH-IUODEOHRSA-N 1 1 303.362 2.328 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000894439754 637040056 /nfs/dbraw/zinc/04/00/56/637040056.db2.gz ZXKSUBASSZNJHK-STQMWFEESA-N 1 1 306.366 2.427 20 5 DEBDMO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1C[NH3+] ZINC000923498793 637216161 /nfs/dbraw/zinc/21/61/61/637216161.db2.gz QAIOQJMAKLJNMJ-MNOVXSKESA-N 1 1 304.350 2.153 20 5 DEBDMO O=[N+]([O-])c1ccsc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000894843073 637249000 /nfs/dbraw/zinc/24/90/00/637249000.db2.gz JHXORQZMZWZUCE-UHFFFAOYSA-N 1 1 318.402 2.416 20 5 DEBDMO C[C@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928451497 637262497 /nfs/dbraw/zinc/26/24/97/637262497.db2.gz UENBIHAODHCOAQ-FZMZJTMJSA-N 1 1 305.378 2.081 20 5 DEBDMO CC(C)Oc1nc(N[C@H]2Cc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000894996315 637369112 /nfs/dbraw/zinc/36/91/12/637369112.db2.gz LDPNXBYYFKCZJV-JTQLQIEISA-N 1 1 303.322 2.010 20 5 DEBDMO COc1cc(CNc2[nH+]ccn2C2CC2)cc([N+](=O)[O-])c1O ZINC000840886807 650371980 /nfs/dbraw/zinc/37/19/80/650371980.db2.gz DMEAXWLKWHOIRS-UHFFFAOYSA-N 1 1 304.306 2.453 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000839392261 637865531 /nfs/dbraw/zinc/86/55/31/637865531.db2.gz GAIUKACIELKCKA-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000839392261 637865538 /nfs/dbraw/zinc/86/55/38/637865538.db2.gz GAIUKACIELKCKA-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CN(C)c1ncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000840904946 650375369 /nfs/dbraw/zinc/37/53/69/650375369.db2.gz MESWPBXABHGYCW-UHFFFAOYSA-N 1 1 323.784 2.338 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000742242059 638054076 /nfs/dbraw/zinc/05/40/76/638054076.db2.gz RRBFDXRQIVPWFU-JTQLQIEISA-N 1 1 311.769 2.462 20 5 DEBDMO COCc1nc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000742369977 638064529 /nfs/dbraw/zinc/06/45/29/638064529.db2.gz LWUFCVPJFRZROZ-CYBMUJFWSA-N 1 1 323.374 2.021 20 5 DEBDMO Cc1cnc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)c([N+](=O)[O-])c1 ZINC000895565727 638091742 /nfs/dbraw/zinc/09/17/42/638091742.db2.gz CSJVICKKBIVADY-WCQYABFASA-N 1 1 308.407 2.290 20 5 DEBDMO COc1ccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1F ZINC000747959763 638494167 /nfs/dbraw/zinc/49/41/67/638494167.db2.gz TVMJHYUAUHEOQG-UHFFFAOYSA-N 1 1 308.313 2.071 20 5 DEBDMO CC[N@@H+](CCC(N)=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000896707627 638643146 /nfs/dbraw/zinc/64/31/46/638643146.db2.gz YEORIMLPNDKRFM-UHFFFAOYSA-N 1 1 319.283 2.311 20 5 DEBDMO CC(=O)c1ccc(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000896912613 639067467 /nfs/dbraw/zinc/06/74/67/639067467.db2.gz ATYXTUGJCBTKKA-CJNGLKHVSA-N 1 1 303.362 2.185 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000753030638 639249239 /nfs/dbraw/zinc/24/92/39/639249239.db2.gz UKTSQANRZGOPDJ-LBPRGKRZSA-N 1 1 322.409 2.119 20 5 DEBDMO C[C@H](NC(=O)[C@@]12CC[N@@H+](C1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000897306883 639398290 /nfs/dbraw/zinc/39/82/90/639398290.db2.gz BUQADXLDBZBUCS-LRDDRELGSA-N 1 1 303.362 2.258 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000758508840 639967559 /nfs/dbraw/zinc/96/75/59/639967559.db2.gz UDQNXCDBBLOYNY-CMPLNLGQSA-N 1 1 309.341 2.255 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000897679126 640900575 /nfs/dbraw/zinc/90/05/75/640900575.db2.gz HUOOMGMNQMYEEP-PELKAZGASA-N 1 1 304.268 2.426 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc3n2CCOC3)cc1Cl ZINC000898267269 641077156 /nfs/dbraw/zinc/07/71/56/641077156.db2.gz FGRYCEVBCQEMAQ-UHFFFAOYSA-N 1 1 322.752 2.265 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000768539427 641095068 /nfs/dbraw/zinc/09/50/68/641095068.db2.gz KRFFGCOCMAUGQK-QWHCGFSZSA-N 1 1 315.377 2.163 20 5 DEBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000842046427 650634046 /nfs/dbraw/zinc/63/40/46/650634046.db2.gz CUFXXDYVPNCNIP-QWRGUYRKSA-N 1 1 313.785 2.140 20 5 DEBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000842046427 650634048 /nfs/dbraw/zinc/63/40/48/650634048.db2.gz CUFXXDYVPNCNIP-QWRGUYRKSA-N 1 1 313.785 2.140 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000771401315 641506048 /nfs/dbraw/zinc/50/60/48/641506048.db2.gz BXYYUPATLFLGLF-QWRGUYRKSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000771401315 641506058 /nfs/dbraw/zinc/50/60/58/641506058.db2.gz BXYYUPATLFLGLF-QWRGUYRKSA-N 1 1 309.341 2.207 20 5 DEBDMO C[N@H+](CC(=O)OCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000772051178 641592192 /nfs/dbraw/zinc/59/21/92/641592192.db2.gz ZFFMUFZSFFUXTO-CQSZACIVSA-N 1 1 324.402 2.118 20 5 DEBDMO C[N@@H+](CC(=O)OCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000772051178 641592195 /nfs/dbraw/zinc/59/21/95/641592195.db2.gz ZFFMUFZSFFUXTO-CQSZACIVSA-N 1 1 324.402 2.118 20 5 DEBDMO Cc1nn(C[N@H+]2CCOCC[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000774658422 641938273 /nfs/dbraw/zinc/93/82/73/641938273.db2.gz ABJXTYMPWFPASJ-LLVKDONJSA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1nn(C[N@@H+]2CCOCC[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000774658422 641938278 /nfs/dbraw/zinc/93/82/78/641938278.db2.gz ABJXTYMPWFPASJ-LLVKDONJSA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1C ZINC000899180208 641980044 /nfs/dbraw/zinc/98/00/44/641980044.db2.gz UHDIAAOZWRCQBH-ZIAGYGMSSA-N 1 1 317.389 2.378 20 5 DEBDMO CN1CCC([NH2+]Cc2cc(-c3ccc([N+](=O)[O-])o3)no2)CC1 ZINC000899258416 642011508 /nfs/dbraw/zinc/01/15/08/642011508.db2.gz MZNKLOULBRJNRL-UHFFFAOYSA-N 1 1 306.322 2.027 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000776279090 642152897 /nfs/dbraw/zinc/15/28/97/642152897.db2.gz VOXNUIBTJJKKJN-DJIMGWMZSA-N 1 1 319.405 2.044 20 5 DEBDMO C[C@@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000776279615 642153004 /nfs/dbraw/zinc/15/30/04/642153004.db2.gz YKGCLDWEIROGTA-JKIFEVAISA-N 1 1 321.421 2.481 20 5 DEBDMO C[C@@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000776279615 642153008 /nfs/dbraw/zinc/15/30/08/642153008.db2.gz YKGCLDWEIROGTA-JKIFEVAISA-N 1 1 321.421 2.481 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000776578264 642187312 /nfs/dbraw/zinc/18/73/12/642187312.db2.gz GBFOSUCVGLHBRH-WBMJQRKESA-N 1 1 306.362 2.129 20 5 DEBDMO C[N@@H+](CCC1CCOCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586017 642188294 /nfs/dbraw/zinc/18/82/94/642188294.db2.gz HTQQMCXYELEKTG-INIZCTEOSA-N 1 1 308.378 2.377 20 5 DEBDMO COc1ccc([C@H](CNCC[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000899859485 642194488 /nfs/dbraw/zinc/19/44/88/642194488.db2.gz KRVKGPPTPOZNNM-INIZCTEOSA-N 1 1 307.394 2.089 20 5 DEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900857311 642493785 /nfs/dbraw/zinc/49/37/85/642493785.db2.gz HWUJKVFSINAQCJ-HOCLYGCPSA-N 1 1 317.389 2.270 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2cc(CCC[NH+]3CCOCC3)on2)o1 ZINC000901398704 642649552 /nfs/dbraw/zinc/64/95/52/642649552.db2.gz GTALAUMPRCKQJO-UHFFFAOYSA-N 1 1 307.306 2.108 20 5 DEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782608081 642904594 /nfs/dbraw/zinc/90/45/94/642904594.db2.gz KIBDWFBCTIURCZ-XJKSGUPXSA-N 1 1 306.362 2.196 20 5 DEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782608081 642904597 /nfs/dbraw/zinc/90/45/97/642904597.db2.gz KIBDWFBCTIURCZ-XJKSGUPXSA-N 1 1 306.362 2.196 20 5 DEBDMO Cc1[nH+]ccn1CCCOc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000902902043 643186315 /nfs/dbraw/zinc/18/63/15/643186315.db2.gz HXMLAXMSOZEAGQ-UHFFFAOYSA-N 1 1 319.317 2.340 20 5 DEBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000785545483 643247372 /nfs/dbraw/zinc/24/73/72/643247372.db2.gz GTDXHPHHVWBZJK-MPTQWLOMSA-N 1 1 308.378 2.110 20 5 DEBDMO Cc1nn(C[NH+]2CCC3(CCOCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000789528285 643744052 /nfs/dbraw/zinc/74/40/52/643744052.db2.gz CPPVKAVQKKMIIM-UHFFFAOYSA-N 1 1 308.382 2.258 20 5 DEBDMO CO[C@@]1(C)CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000794654230 644453723 /nfs/dbraw/zinc/45/37/23/644453723.db2.gz GWWPPHSRVNBPHE-HNNXBMFYSA-N 1 1 304.350 2.403 20 5 DEBDMO CO[C@@]1(C)CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000794654230 644453724 /nfs/dbraw/zinc/45/37/24/644453724.db2.gz GWWPPHSRVNBPHE-HNNXBMFYSA-N 1 1 304.350 2.403 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910287619 645390480 /nfs/dbraw/zinc/39/04/80/645390480.db2.gz MRBIEWVKDYCWAH-CYBMUJFWSA-N 1 1 305.378 2.460 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910297522 645409173 /nfs/dbraw/zinc/40/91/73/645409173.db2.gz HCDRRSIQPVWMNC-ZDUSSCGKSA-N 1 1 305.378 2.460 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000840153436 646168612 /nfs/dbraw/zinc/16/86/12/646168612.db2.gz RMRRADKINDEBJW-HNNXBMFYSA-N 1 1 317.393 2.317 20 5 DEBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809768075 646281348 /nfs/dbraw/zinc/28/13/48/646281348.db2.gz BNNHXXKPYXRPMT-GFCCVEGCSA-N 1 1 316.785 2.466 20 5 DEBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812848928 646705215 /nfs/dbraw/zinc/70/52/15/646705215.db2.gz FQRYRRGUXYZKJQ-BBRMVZONSA-N 1 1 318.377 2.235 20 5 DEBDMO CC[C@H](C)C[N@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000171890557 646717340 /nfs/dbraw/zinc/71/73/40/646717340.db2.gz OSUBLZXGSORGLT-JTQLQIEISA-N 1 1 305.334 2.126 20 5 DEBDMO CC[C@H](C)C[N@@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000171890557 646717342 /nfs/dbraw/zinc/71/73/42/646717342.db2.gz OSUBLZXGSORGLT-JTQLQIEISA-N 1 1 305.334 2.126 20 5 DEBDMO CC(C)OCC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171784 646742978 /nfs/dbraw/zinc/74/29/78/646742978.db2.gz AMKGCEGPFMVMNF-HNNXBMFYSA-N 1 1 322.361 2.137 20 5 DEBDMO CC(C)OCC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171784 646742982 /nfs/dbraw/zinc/74/29/82/646742982.db2.gz AMKGCEGPFMVMNF-HNNXBMFYSA-N 1 1 322.361 2.137 20 5 DEBDMO COc1ccc(C[NH2+]Cc2cnn(C)c2Cl)cc1[N+](=O)[O-] ZINC000815121228 646973220 /nfs/dbraw/zinc/97/32/20/646973220.db2.gz SUXFSVNBRRDTCD-UHFFFAOYSA-N 1 1 310.741 2.280 20 5 DEBDMO C[C@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000818957715 647549844 /nfs/dbraw/zinc/54/98/44/647549844.db2.gz ZVFIQENOJFRRFY-CKEIUWERSA-N 1 1 321.421 2.338 20 5 DEBDMO C[C@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000818957715 647549845 /nfs/dbraw/zinc/54/98/45/647549845.db2.gz ZVFIQENOJFRRFY-CKEIUWERSA-N 1 1 321.421 2.338 20 5 DEBDMO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819036965 647569519 /nfs/dbraw/zinc/56/95/19/647569519.db2.gz LDHYTYGURZFNST-JKIFEVAISA-N 1 1 321.421 2.481 20 5 DEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819036965 647569523 /nfs/dbraw/zinc/56/95/23/647569523.db2.gz LDHYTYGURZFNST-JKIFEVAISA-N 1 1 321.421 2.481 20 5 DEBDMO C[NH+](C)CC1(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819226945 647612105 /nfs/dbraw/zinc/61/21/05/647612105.db2.gz MAXLDMATIUAWEL-MRXNPFEDSA-N 1 1 321.421 2.340 20 5 DEBDMO C[NH+](C)CC1(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819226944 647612414 /nfs/dbraw/zinc/61/24/14/647612414.db2.gz MAXLDMATIUAWEL-INIZCTEOSA-N 1 1 321.421 2.340 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000820832317 647927892 /nfs/dbraw/zinc/92/78/92/647927892.db2.gz VWXQPIPFWYYAPW-FZMZJTMJSA-N 1 1 317.389 2.424 20 5 DEBDMO C[C@@H](NC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000916850643 647931891 /nfs/dbraw/zinc/93/18/91/647931891.db2.gz GPEVSWWIHZCQGQ-VXGBXAGGSA-N 1 1 320.393 2.438 20 5 DEBDMO CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000821328094 648035039 /nfs/dbraw/zinc/03/50/39/648035039.db2.gz FAIHVWAMCJZODZ-TUKIKUTGSA-N 1 1 303.362 2.066 20 5 DEBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000918601736 648093128 /nfs/dbraw/zinc/09/31/28/648093128.db2.gz IIPVMXJLAMTBKY-YOPWKTHZSA-N 1 1 315.373 2.351 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000924020580 648147459 /nfs/dbraw/zinc/14/74/59/648147459.db2.gz HITMKXCUNXXPDL-RISCZKNCSA-N 1 1 306.366 2.049 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000824639315 648628142 /nfs/dbraw/zinc/62/81/42/648628142.db2.gz JOJUJQKGJOHNDN-NSHDSACASA-N 1 1 309.341 2.196 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000825625151 648790217 /nfs/dbraw/zinc/79/02/17/648790217.db2.gz HBVPOXDTWQLPJQ-IMJJTQAJSA-N 1 1 317.389 2.299 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827244789 648999787 /nfs/dbraw/zinc/99/97/87/648999787.db2.gz DLTNRLBLWBDGMI-ZFWWWQNUSA-N 1 1 317.389 2.378 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Cl)CC[C@@H]21 ZINC000827253576 649002272 /nfs/dbraw/zinc/00/22/72/649002272.db2.gz IYDOYMAFIMZGTQ-JQWIXIFHSA-N 1 1 323.780 2.414 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827311989 649012027 /nfs/dbraw/zinc/01/20/27/649012027.db2.gz SGHCKCFHMCTRHQ-HOCLYGCPSA-N 1 1 317.389 2.080 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000827499592 649044032 /nfs/dbraw/zinc/04/40/32/649044032.db2.gz JQSNWWNVFJNBSH-CQSZACIVSA-N 1 1 323.368 2.455 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC000831778978 649642025 /nfs/dbraw/zinc/64/20/25/649642025.db2.gz ZLTWHPCFBLLKDX-CABCVRRESA-N 1 1 308.403 2.456 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832778112 649744811 /nfs/dbraw/zinc/74/48/11/649744811.db2.gz ICLYNXAKRVKKQP-JKSUJKDBSA-N 1 1 307.394 2.043 20 5 DEBDMO Cc1cc(C(=O)NCCC[N@H+](C)CC(C)C)c(N)c([N+](=O)[O-])c1 ZINC000846291801 651321601 /nfs/dbraw/zinc/32/16/01/651321601.db2.gz SLFDRIVAVSGSOU-UHFFFAOYSA-N 1 1 322.409 2.193 20 5 DEBDMO CCOC(=O)CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000847083000 651374164 /nfs/dbraw/zinc/37/41/64/651374164.db2.gz BYJHKDZHTQTWEM-OAHLLOKOSA-N 1 1 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20 5 DEBDMO CCC/C=C\CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001284909909 1145969350 /nfs/dbraw/zinc/96/93/50/1145969350.db2.gz OMJQEKHKHUOMIC-KSLSASGISA-N 1 1 321.421 2.146 20 5 DEBDMO CCC/C=C\CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001284909909 1145969354 /nfs/dbraw/zinc/96/93/54/1145969354.db2.gz OMJQEKHKHUOMIC-KSLSASGISA-N 1 1 321.421 2.146 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001339268024 1147398667 /nfs/dbraw/zinc/39/86/67/1147398667.db2.gz WATSAWAYCIYIRS-BZUAXINKSA-N 1 1 317.389 2.299 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4O)nc2c1 ZINC001326465393 1148107121 /nfs/dbraw/zinc/10/71/21/1148107121.db2.gz KMSOBJSBHZSSEN-SOSAQKQKSA-N 1 1 316.361 2.064 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4O)nc2c1 ZINC001326465393 1148107122 /nfs/dbraw/zinc/10/71/22/1148107122.db2.gz KMSOBJSBHZSSEN-SOSAQKQKSA-N 1 1 316.361 2.064 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272858826 210252739 /nfs/dbraw/zinc/25/27/39/210252739.db2.gz RTSJSLRDLNVCRK-NSHDSACASA-N 1 1 324.381 2.455 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000612485482 361840397 /nfs/dbraw/zinc/84/03/97/361840397.db2.gz SZQPIISCYFTWPF-VXGBXAGGSA-N 1 1 323.368 2.390 20 5 DEBDMO CC[N@H+](CCc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517758 185299929 /nfs/dbraw/zinc/29/99/29/185299929.db2.gz FWUDVRPVZWNPLD-UHFFFAOYSA-N 1 1 315.373 2.321 20 5 DEBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1ccccc1 ZINC000090551692 185302789 /nfs/dbraw/zinc/30/27/89/185302789.db2.gz DLODTFGQRYNHEI-GUYCJALGSA-N 1 1 313.357 2.450 20 5 DEBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330880107 232134668 /nfs/dbraw/zinc/13/46/68/232134668.db2.gz YVXOXZMCQROVKR-WOPDTQHZSA-N 1 1 323.368 2.436 20 5 DEBDMO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000279807664 215163829 /nfs/dbraw/zinc/16/38/29/215163829.db2.gz PPYNSWBZLYDWCK-IOASZLSFSA-N 1 1 306.362 2.363 20 5 DEBDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000279807664 215163830 /nfs/dbraw/zinc/16/38/30/215163830.db2.gz PPYNSWBZLYDWCK-IOASZLSFSA-N 1 1 306.362 2.363 20 5 DEBDMO CC(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000152558498 186085162 /nfs/dbraw/zinc/08/51/62/186085162.db2.gz WZZIYYDWMOHVJI-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000155978048 186124686 /nfs/dbraw/zinc/12/46/86/186124686.db2.gz JQMRKPUTUIRJSC-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000155978048 186124688 /nfs/dbraw/zinc/12/46/88/186124688.db2.gz JQMRKPUTUIRJSC-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1cccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000164273754 186154341 /nfs/dbraw/zinc/15/43/41/186154341.db2.gz HOXWYGKXKKKKQA-UKRRQHHQSA-N 1 1 317.389 2.460 20 5 DEBDMO Nc1c(F)c(N2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000266860465 186362367 /nfs/dbraw/zinc/36/23/67/186362367.db2.gz OMCLXJFQKXJTKN-UHFFFAOYSA-N 1 1 305.313 2.423 20 5 DEBDMO C[C@H]1CN(CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595476459 358459213 /nfs/dbraw/zinc/45/92/13/358459213.db2.gz MNIWMVDVEVROON-GJZGRUSLSA-N 1 1 321.421 2.178 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000280105019 215379423 /nfs/dbraw/zinc/37/94/23/215379423.db2.gz PFHVMZIRLOSSBX-BLLLJJGKSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(O)CC1 ZINC000280105019 215379426 /nfs/dbraw/zinc/37/94/26/215379426.db2.gz PFHVMZIRLOSSBX-BLLLJJGKSA-N 1 1 321.377 2.159 20 5 DEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173155070 198189271 /nfs/dbraw/zinc/18/92/71/198189271.db2.gz PMVFVVATYDTBPR-LBPRGKRZSA-N 1 1 316.361 2.095 20 5 DEBDMO COc1ccc([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000174838851 198392315 /nfs/dbraw/zinc/39/23/15/198392315.db2.gz YFYYVNQJCQQVLY-CQSZACIVSA-N 1 1 316.361 2.289 20 5 DEBDMO C[NH+](C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000044852748 354243480 /nfs/dbraw/zinc/24/34/80/354243480.db2.gz ZIKFIRQHGJKBEZ-JTQLQIEISA-N 1 1 309.347 2.282 20 5 DEBDMO Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000046993608 354300559 /nfs/dbraw/zinc/30/05/59/354300559.db2.gz PQQJMKPBXIKDQP-UONOGXRCSA-N 1 1 303.362 2.260 20 5 DEBDMO COCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000054353935 354459587 /nfs/dbraw/zinc/45/95/87/354459587.db2.gz SULFZEATIAWLDF-SECBINFHSA-N 1 1 315.757 2.153 20 5 DEBDMO COCC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000054353935 354459589 /nfs/dbraw/zinc/45/95/89/354459589.db2.gz SULFZEATIAWLDF-SECBINFHSA-N 1 1 315.757 2.153 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000063852144 354658837 /nfs/dbraw/zinc/65/88/37/354658837.db2.gz SITQNQJSVMQLSZ-XVJNWHFHSA-N 1 1 317.389 2.456 20 5 DEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000060380189 354612100 /nfs/dbraw/zinc/61/21/00/354612100.db2.gz UMHKHCPCCONTQI-ZDUSSCGKSA-N 1 1 324.400 2.419 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000069475111 354866380 /nfs/dbraw/zinc/86/63/80/354866380.db2.gz ACWSXBHFMPJWKY-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO Cc1cnc(NC[C@H](C(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000078628655 355271010 /nfs/dbraw/zinc/27/10/10/355271010.db2.gz ZLIRHCVPQWYJMC-CQSZACIVSA-N 1 1 308.382 2.067 20 5 DEBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000091454473 355597471 /nfs/dbraw/zinc/59/74/71/355597471.db2.gz LQSOIOFRUCQIED-CQSZACIVSA-N 1 1 306.410 2.280 20 5 DEBDMO Cc1c([C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000090884529 355569129 /nfs/dbraw/zinc/56/91/29/355569129.db2.gz GSJVJNKNCDNOGR-SMDDNHRTSA-N 1 1 304.350 2.021 20 5 DEBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000145867203 355906691 /nfs/dbraw/zinc/90/66/91/355906691.db2.gz SYQHVFMPLINODI-UHFFFAOYSA-N 1 1 316.361 2.305 20 5 DEBDMO C[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000180417627 356050600 /nfs/dbraw/zinc/05/06/00/356050600.db2.gz XXCHMNFIOGULBJ-LBPRGKRZSA-N 1 1 324.340 2.454 20 5 DEBDMO C[N@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000271018266 356353183 /nfs/dbraw/zinc/35/31/83/356353183.db2.gz ITBYQADAOCKIQR-UHFFFAOYSA-N 1 1 307.394 2.390 20 5 DEBDMO CN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000271018266 356353187 /nfs/dbraw/zinc/35/31/87/356353187.db2.gz ITBYQADAOCKIQR-UHFFFAOYSA-N 1 1 307.394 2.390 20 5 DEBDMO CN1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000271018266 356353191 /nfs/dbraw/zinc/35/31/91/356353191.db2.gz ITBYQADAOCKIQR-UHFFFAOYSA-N 1 1 307.394 2.390 20 5 DEBDMO Cc1c(Cc2noc([C@H]3CC[N@H+](C)C3)n2)cccc1[N+](=O)[O-] ZINC000350161185 356509946 /nfs/dbraw/zinc/50/99/46/356509946.db2.gz MWYCUAPDFXGSBG-LBPRGKRZSA-N 1 1 302.334 2.296 20 5 DEBDMO CC(C)[N@@H+]1CCO[C@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000351280515 356647225 /nfs/dbraw/zinc/64/72/25/356647225.db2.gz SIBSJRYVWKEDHU-JTQLQIEISA-N 1 1 308.294 2.020 20 5 DEBDMO CC(C)[N@H+]1CCO[C@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000351280515 356647228 /nfs/dbraw/zinc/64/72/28/356647228.db2.gz SIBSJRYVWKEDHU-JTQLQIEISA-N 1 1 308.294 2.020 20 5 DEBDMO CCOc1cc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000276936846 213186859 /nfs/dbraw/zinc/18/68/59/213186859.db2.gz RSKILCRTJVKNCP-AWEZNQCLSA-N 1 1 321.377 2.046 20 5 DEBDMO CCOc1cc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000276936846 213186860 /nfs/dbraw/zinc/18/68/60/213186860.db2.gz RSKILCRTJVKNCP-AWEZNQCLSA-N 1 1 321.377 2.046 20 5 DEBDMO [NH3+]CCC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000579723075 357021865 /nfs/dbraw/zinc/02/18/65/357021865.db2.gz WPXPGKJWZNGZTI-UHFFFAOYSA-N 1 1 304.350 2.297 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000584700410 357292922 /nfs/dbraw/zinc/29/29/22/357292922.db2.gz KDQRZEOAAGCCJW-WFASDCNBSA-N 1 1 302.378 2.443 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000590738499 357595721 /nfs/dbraw/zinc/59/57/21/357595721.db2.gz UYTWVZMNFHDIJV-ZDUSSCGKSA-N 1 1 315.377 2.457 20 5 DEBDMO C[C@@H]1[C@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000592771437 357940215 /nfs/dbraw/zinc/94/02/15/357940215.db2.gz BGWWVLKWWDJWCP-BXUZGUMPSA-N 1 1 305.378 2.286 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593075710 358002201 /nfs/dbraw/zinc/00/22/01/358002201.db2.gz RDWPMPYDUDZQNG-SMDDNHRTSA-N 1 1 323.368 2.075 20 5 DEBDMO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000494281031 283316475 /nfs/dbraw/zinc/31/64/75/283316475.db2.gz AWZVVHUMOFVHDW-MEBBXXQBSA-N 1 1 318.333 2.302 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593189885 358031464 /nfs/dbraw/zinc/03/14/64/358031464.db2.gz BFUJOTZGTBRPKH-UTUOFQBUSA-N 1 1 323.368 2.216 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000593514745 358094993 /nfs/dbraw/zinc/09/49/93/358094993.db2.gz BVCFIMMXSNHZRN-ZWNOBZJWSA-N 1 1 321.352 2.018 20 5 DEBDMO COc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000237316710 202227954 /nfs/dbraw/zinc/22/79/54/202227954.db2.gz WRFVYONHPXZJGJ-KGLIPLIRSA-N 1 1 305.378 2.320 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594203882 358223830 /nfs/dbraw/zinc/22/38/30/358223830.db2.gz VGISQHJLZOYPMH-HUUCEWRRSA-N 1 1 303.362 2.342 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000594713450 358323148 /nfs/dbraw/zinc/32/31/48/358323148.db2.gz FXOBHBNVSNDBLF-MJBXVCDLSA-N 1 1 306.362 2.209 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cnn(C)c1C ZINC000595035919 358380877 /nfs/dbraw/zinc/38/08/77/358380877.db2.gz NMXVXOPVKRDJKZ-SNVBAGLBSA-N 1 1 304.350 2.496 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc2n1CCC2 ZINC000594919221 358357601 /nfs/dbraw/zinc/35/76/01/358357601.db2.gz GETTWXMGHIXFPN-UHFFFAOYSA-N 1 1 302.334 2.036 20 5 DEBDMO C[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595100749 358389559 /nfs/dbraw/zinc/38/95/59/358389559.db2.gz IRVDHHCJHMDHIQ-GUYCJALGSA-N 1 1 319.405 2.499 20 5 DEBDMO Cc1noc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595437703 358448326 /nfs/dbraw/zinc/44/83/26/358448326.db2.gz IDFULVARRSQOGL-MFKMUULPSA-N 1 1 305.334 2.145 20 5 DEBDMO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595679794 358520554 /nfs/dbraw/zinc/52/05/54/358520554.db2.gz YHHULKPZCCIAQC-JSGCOSHPSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595679794 358520556 /nfs/dbraw/zinc/52/05/56/358520556.db2.gz YHHULKPZCCIAQC-JSGCOSHPSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595880806 358571478 /nfs/dbraw/zinc/57/14/78/358571478.db2.gz ZNFKPIKTLUCZLX-XJKSGUPXSA-N 1 1 308.378 2.314 20 5 DEBDMO C[N@@H+](CCCn1ccnc1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000181059042 199245588 /nfs/dbraw/zinc/24/55/88/199245588.db2.gz NUCSEJDXHZGAFP-UHFFFAOYSA-N 1 1 304.350 2.192 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596306539 358664297 /nfs/dbraw/zinc/66/42/97/358664297.db2.gz FINNYVOFCOSOAG-NSHDSACASA-N 1 1 320.393 2.226 20 5 DEBDMO COc1cc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596432208 358685797 /nfs/dbraw/zinc/68/57/97/358685797.db2.gz RLQXWQGOHBNVKQ-RYUDHWBXSA-N 1 1 309.366 2.125 20 5 DEBDMO COc1cc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596432208 358685798 /nfs/dbraw/zinc/68/57/98/358685798.db2.gz RLQXWQGOHBNVKQ-RYUDHWBXSA-N 1 1 309.366 2.125 20 5 DEBDMO O=C1CC[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000597206642 358853563 /nfs/dbraw/zinc/85/35/63/358853563.db2.gz PSGGQUGEPXVPCH-SUXDSQMHSA-N 1 1 315.373 2.209 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000597860032 359025751 /nfs/dbraw/zinc/02/57/51/359025751.db2.gz KHGMZWNPIBZOPF-NSHDSACASA-N 1 1 320.393 2.027 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000597925936 359044232 /nfs/dbraw/zinc/04/42/32/359044232.db2.gz YROXDMRVCDAAMF-GFCCVEGCSA-N 1 1 309.341 2.337 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000598342523 359170867 /nfs/dbraw/zinc/17/08/67/359170867.db2.gz OGKYTJURZMPMLY-AWEZNQCLSA-N 1 1 305.378 2.128 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598646329 359274761 /nfs/dbraw/zinc/27/47/61/359274761.db2.gz RLHKOMLEYYOKDG-KGLIPLIRSA-N 1 1 308.378 2.314 20 5 DEBDMO Cc1cc(C)c2c(c1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000186739491 200001227 /nfs/dbraw/zinc/00/12/27/200001227.db2.gz QIOVYLGMGLLSMR-UHFFFAOYSA-N 1 1 300.362 2.466 20 5 DEBDMO C[C@@H]1CCCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000187914928 200175525 /nfs/dbraw/zinc/17/55/25/200175525.db2.gz PKSDCAICKPORAI-KGLIPLIRSA-N 1 1 308.378 2.457 20 5 DEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601000019 359888403 /nfs/dbraw/zinc/88/84/03/359888403.db2.gz KXBSFQQUABWSOH-WDEREUQCSA-N 1 1 307.325 2.091 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601000016 359888783 /nfs/dbraw/zinc/88/87/83/359888783.db2.gz KXBSFQQUABWSOH-GHMZBOCLSA-N 1 1 307.325 2.091 20 5 DEBDMO Cc1ccc(CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188894113 200318202 /nfs/dbraw/zinc/31/82/02/200318202.db2.gz IQIZZJOPDMRYKU-CQSZACIVSA-N 1 1 321.421 2.180 20 5 DEBDMO CO[C@@]1(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCOC1 ZINC000602440730 360374145 /nfs/dbraw/zinc/37/41/45/360374145.db2.gz SHEKFKKHQQJXHE-MRXNPFEDSA-N 1 1 306.362 2.365 20 5 DEBDMO C[N@@H+]1CC=C(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602580088 360442211 /nfs/dbraw/zinc/44/22/11/360442211.db2.gz CYHTXUSUGIXDIT-UHFFFAOYSA-N 1 1 302.334 2.088 20 5 DEBDMO COC(=O)[C@@]1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000602728716 360521479 /nfs/dbraw/zinc/52/14/79/360521479.db2.gz GJQHYBKAKOHIPQ-LRDDRELGSA-N 1 1 306.362 2.268 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000602784608 360552676 /nfs/dbraw/zinc/55/26/76/360552676.db2.gz HUVIOQYKEHGSDL-LBPRGKRZSA-N 1 1 318.377 2.368 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000602793669 360557080 /nfs/dbraw/zinc/55/70/80/360557080.db2.gz CLSGEVURRXQRPB-AWEZNQCLSA-N 1 1 301.350 2.332 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000602900968 360617171 /nfs/dbraw/zinc/61/71/71/360617171.db2.gz PVCCEMNJNQBXCJ-CABCVRRESA-N 1 1 322.409 2.381 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000602902511 360617900 /nfs/dbraw/zinc/61/79/00/360617900.db2.gz JONQBOKGKVTIFE-OAHLLOKOSA-N 1 1 316.361 2.253 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000603668818 360852469 /nfs/dbraw/zinc/85/24/69/360852469.db2.gz OOIMGZFHHNGZQF-CYBMUJFWSA-N 1 1 322.409 2.175 20 5 DEBDMO C[N@H+]1CCCN(CCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000604526507 360913655 /nfs/dbraw/zinc/91/36/55/360913655.db2.gz OBGGWNRJQAIAFK-UHFFFAOYSA-N 1 1 310.373 2.173 20 5 DEBDMO CN1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000604526507 360913661 /nfs/dbraw/zinc/91/36/61/360913661.db2.gz OBGGWNRJQAIAFK-UHFFFAOYSA-N 1 1 310.373 2.173 20 5 DEBDMO CN1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000604526507 360913667 /nfs/dbraw/zinc/91/36/67/360913667.db2.gz OBGGWNRJQAIAFK-UHFFFAOYSA-N 1 1 310.373 2.173 20 5 DEBDMO CNc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000610199251 361367006 /nfs/dbraw/zinc/36/70/06/361367006.db2.gz GQABDVZWNJYAII-SMDDNHRTSA-N 1 1 320.393 2.049 20 5 DEBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000610476482 361405218 /nfs/dbraw/zinc/40/52/18/361405218.db2.gz QKEDXPADVDKOCS-YUTCNCBUSA-N 1 1 322.409 2.354 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000610489255 361407788 /nfs/dbraw/zinc/40/77/88/361407788.db2.gz SUJJNUDSBLGXRQ-AWEZNQCLSA-N 1 1 323.368 2.425 20 5 DEBDMO CC[C@H]1CN(c2cc(C)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000610677458 361444507 /nfs/dbraw/zinc/44/45/07/361444507.db2.gz KPGQWFNXIRGPHH-AWEZNQCLSA-N 1 1 307.394 2.450 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194029132 201165750 /nfs/dbraw/zinc/16/57/50/201165750.db2.gz IYNTVAVXBPFHNB-GFCCVEGCSA-N 1 1 322.365 2.277 20 5 DEBDMO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000619434260 363793021 /nfs/dbraw/zinc/79/30/21/363793021.db2.gz VJOZENAJEZAACV-PDWNWXNCSA-N 1 1 318.373 2.488 20 5 DEBDMO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000619434260 363793027 /nfs/dbraw/zinc/79/30/27/363793027.db2.gz VJOZENAJEZAACV-PDWNWXNCSA-N 1 1 318.373 2.488 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611088381 361526213 /nfs/dbraw/zinc/52/62/13/361526213.db2.gz SHCPAIPIKGWBOV-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611088381 361526214 /nfs/dbraw/zinc/52/62/14/361526214.db2.gz SHCPAIPIKGWBOV-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO O=[N+]([O-])c1ncccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000610946722 361495857 /nfs/dbraw/zinc/49/58/57/361495857.db2.gz YSGNXQUBJBPXCP-OCCSQVGLSA-N 1 1 302.378 2.443 20 5 DEBDMO O=[N+]([O-])c1ncccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000610946720 361496165 /nfs/dbraw/zinc/49/61/65/361496165.db2.gz YSGNXQUBJBPXCP-GXTWGEPZSA-N 1 1 302.378 2.443 20 5 DEBDMO COCC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611268981 361567068 /nfs/dbraw/zinc/56/70/68/361567068.db2.gz BGQRCCRZOLBECE-UHFFFAOYSA-N 1 1 322.361 2.224 20 5 DEBDMO O=c1ccccn1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611211215 361550242 /nfs/dbraw/zinc/55/02/42/361550242.db2.gz IIOCNBWKMKNTIO-UHFFFAOYSA-N 1 1 313.357 2.421 20 5 DEBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cocn1 ZINC000611473878 361604995 /nfs/dbraw/zinc/60/49/95/361604995.db2.gz AOPKPFWPHZPHJP-SNVBAGLBSA-N 1 1 304.306 2.090 20 5 DEBDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000611554508 361630310 /nfs/dbraw/zinc/63/03/10/361630310.db2.gz SICCCNXOAZNZQN-ZJUUUORDSA-N 1 1 306.288 2.454 20 5 DEBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611568401 361635363 /nfs/dbraw/zinc/63/53/63/361635363.db2.gz PPCWMKDCOAGWAY-NEPJUHHUSA-N 1 1 320.393 2.306 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000611712430 361664281 /nfs/dbraw/zinc/66/42/81/361664281.db2.gz LCPYMVCEGIMZOI-NWDGAFQWSA-N 1 1 315.377 2.457 20 5 DEBDMO CC(C)[N@H+]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611708433 361664800 /nfs/dbraw/zinc/66/48/00/361664800.db2.gz DDSUKQALAJDESD-UHFFFAOYSA-N 1 1 315.377 2.459 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000611713862 361666239 /nfs/dbraw/zinc/66/62/39/361666239.db2.gz IWELAKRZOUWHPB-IAQYHMDHSA-N 1 1 313.361 2.068 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707564 361663302 /nfs/dbraw/zinc/66/33/02/361663302.db2.gz OQCCXYFKMHOSQT-HNNXBMFYSA-N 1 1 315.377 2.314 20 5 DEBDMO C[C@@H](NCC1([NH+](C)C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173416221 296118380 /nfs/dbraw/zinc/11/83/80/296118380.db2.gz YOIFQJCMVIIHGP-CYBMUJFWSA-N 1 1 307.394 2.356 20 5 DEBDMO COc1ccc(OCC[N@H+]2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452136226 243962439 /nfs/dbraw/zinc/96/24/39/243962439.db2.gz XSVOIDVKNQYWNS-ZDUSSCGKSA-N 1 1 324.377 2.077 20 5 DEBDMO Cc1c(NC(=O)NCC[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000264889673 204243267 /nfs/dbraw/zinc/24/32/67/204243267.db2.gz SENRRPRFHYXXCL-UHFFFAOYSA-N 1 1 324.406 2.074 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000288231675 220032028 /nfs/dbraw/zinc/03/20/28/220032028.db2.gz DHCWZEUIFMUDEF-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000288231675 220032031 /nfs/dbraw/zinc/03/20/31/220032031.db2.gz DHCWZEUIFMUDEF-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO O=C(CC[N@H+]1CCO[C@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000282660414 217159614 /nfs/dbraw/zinc/15/96/14/217159614.db2.gz LXXOADMZHBJJJU-CABCVRRESA-N 1 1 319.361 2.177 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000266201370 205178647 /nfs/dbraw/zinc/17/86/47/205178647.db2.gz JMIZYYYHYXUIBX-NSHDSACASA-N 1 1 308.338 2.281 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000456391519 247150433 /nfs/dbraw/zinc/15/04/33/247150433.db2.gz WKHPSTNOAMXZPC-CYBMUJFWSA-N 1 1 323.368 2.219 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000268011601 206396379 /nfs/dbraw/zinc/39/63/79/206396379.db2.gz UVZOVMPQVLFKLM-RYUDHWBXSA-N 1 1 303.362 2.258 20 5 DEBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459743279 248670200 /nfs/dbraw/zinc/67/02/00/248670200.db2.gz PUZWRAPJQOWIDL-ZDUSSCGKSA-N 1 1 308.378 2.455 20 5 DEBDMO CC[N@@H+](CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000491886173 248972681 /nfs/dbraw/zinc/97/26/81/248972681.db2.gz OHORWTJMHPAGHN-KTKRTIGZSA-N 1 1 305.378 2.455 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492648798 249108339 /nfs/dbraw/zinc/10/83/39/249108339.db2.gz ONDGOCMLIBOXCZ-YWEYNIOJSA-N 1 1 321.352 2.300 20 5 DEBDMO Cc1cc(C(=O)NCC[N@H+](C)C2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000104927997 194053525 /nfs/dbraw/zinc/05/35/25/194053525.db2.gz OIQKIIIOKUWBFT-UHFFFAOYSA-N 1 1 320.393 2.090 20 5 DEBDMO O=[N+]([O-])c1ccccc1-c1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000273860871 211121103 /nfs/dbraw/zinc/12/11/03/211121103.db2.gz CVPSAQYCBBHSHU-GWCFXTLKSA-N 1 1 316.317 2.181 20 5 DEBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000057218341 184030294 /nfs/dbraw/zinc/03/02/94/184030294.db2.gz NNIQUGJZNMXIEQ-UHFFFAOYSA-N 1 1 313.273 2.329 20 5 DEBDMO C[N@@H+](CCNc1ncc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000062010268 184201341 /nfs/dbraw/zinc/20/13/41/184201341.db2.gz LQTRHGHJLICAAI-UHFFFAOYSA-N 1 1 315.171 2.258 20 5 DEBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000340904790 285079776 /nfs/dbraw/zinc/07/97/76/285079776.db2.gz OAOQKPPVFILOBU-UHFFFAOYSA-N 1 1 324.344 2.193 20 5 DEBDMO C[C@@H]1COc2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000272956983 210341187 /nfs/dbraw/zinc/34/11/87/210341187.db2.gz NCLAYTUJKIOLMX-GFCCVEGCSA-N 1 1 302.334 2.074 20 5 DEBDMO C[C@@H]1COc2ccccc2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000272956983 210341189 /nfs/dbraw/zinc/34/11/89/210341189.db2.gz NCLAYTUJKIOLMX-GFCCVEGCSA-N 1 1 302.334 2.074 20 5 DEBDMO CC[N@@H+](CC1CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000157925778 197227530 /nfs/dbraw/zinc/22/75/30/197227530.db2.gz XFBKWZHICGLCRY-OAHLLOKOSA-N 1 1 303.362 2.432 20 5 DEBDMO C[N@@H+](CCc1nccs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000157765734 197214003 /nfs/dbraw/zinc/21/40/03/197214003.db2.gz XQLQUCBKYSOOSZ-ZDUSSCGKSA-N 1 1 307.375 2.259 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1CCOCC1 ZINC000156038290 197083050 /nfs/dbraw/zinc/08/30/50/197083050.db2.gz YPYUIKNUPIZSHG-LBPRGKRZSA-N 1 1 321.377 2.280 20 5 DEBDMO Cc1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000543071237 285268335 /nfs/dbraw/zinc/26/83/35/285268335.db2.gz ZMSLRWSAGTUXNS-JTQLQIEISA-N 1 1 318.333 2.398 20 5 DEBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000120887364 195258183 /nfs/dbraw/zinc/25/81/83/195258183.db2.gz YUAQOHXFNWFHBY-KGLIPLIRSA-N 1 1 308.382 2.071 20 5 DEBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000357957550 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2.462 20 5 DEBDMO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCCO1 ZINC000051555266 402035459 /nfs/dbraw/zinc/03/54/59/402035459.db2.gz YJNUPWLATINTRH-OAHLLOKOSA-N 1 1 322.361 2.462 20 5 DEBDMO Cc1c(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000054987141 402074217 /nfs/dbraw/zinc/07/42/17/402074217.db2.gz DHPGIZHEUCZQHX-OAHLLOKOSA-N 1 1 303.362 2.146 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000054987141 402074219 /nfs/dbraw/zinc/07/42/19/402074219.db2.gz DHPGIZHEUCZQHX-OAHLLOKOSA-N 1 1 303.362 2.146 20 5 DEBDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000122779309 402094216 /nfs/dbraw/zinc/09/42/16/402094216.db2.gz MNZDVRLHCKDZNB-HNNXBMFYSA-N 1 1 316.357 2.467 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@]4(CCOC4)C3)nc2c1 ZINC000153901973 402178513 /nfs/dbraw/zinc/17/85/13/402178513.db2.gz IHMFYFASOBLNBF-OAHLLOKOSA-N 1 1 303.318 2.348 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000067595165 402164244 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Cc1c(C[NH2+][C@@](C)(C(N)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000195226187 402837643 /nfs/dbraw/zinc/83/76/43/402837643.db2.gz BIDBQOVHXONMJX-QGZVFWFLSA-N 1 1 313.357 2.394 20 5 DEBDMO COc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000264547301 402887976 /nfs/dbraw/zinc/88/79/76/402887976.db2.gz WRFVYONHPXZJGJ-ZIAGYGMSSA-N 1 1 305.378 2.320 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@H]2C1 ZINC000272569810 402954591 /nfs/dbraw/zinc/95/45/91/402954591.db2.gz FPPZONMQDYNSBL-YGRLFVJLSA-N 1 1 323.780 2.414 20 5 DEBDMO CO[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000279363219 402934984 /nfs/dbraw/zinc/93/49/84/402934984.db2.gz RDPUWXIJGIKGNK-MLGOLLRUSA-N 1 1 321.377 2.423 20 5 DEBDMO CO[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000279363219 402934985 /nfs/dbraw/zinc/93/49/85/402934985.db2.gz RDPUWXIJGIKGNK-MLGOLLRUSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280372574 402993387 /nfs/dbraw/zinc/99/33/87/402993387.db2.gz VJOZENAJEZAACV-XSCIRMLOSA-N 1 1 318.373 2.488 20 5 DEBDMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280372574 402993388 /nfs/dbraw/zinc/99/33/88/402993388.db2.gz VJOZENAJEZAACV-XSCIRMLOSA-N 1 1 318.373 2.488 20 5 DEBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000273346715 402996500 /nfs/dbraw/zinc/99/65/00/402996500.db2.gz OQJKKWGYGKYYAW-STQMWFEESA-N 1 1 308.378 2.455 20 5 DEBDMO Cc1cc(OCC(=O)NCCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000280443194 403000437 /nfs/dbraw/zinc/00/04/37/403000437.db2.gz DFKCZQJXBLUYQM-UHFFFAOYSA-N 1 1 323.393 2.129 20 5 DEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](CO)C1 ZINC000266927424 403000639 /nfs/dbraw/zinc/00/06/39/403000639.db2.gz NMSVJTYPKKNDBH-QWRGUYRKSA-N 1 1 318.333 2.020 20 5 DEBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000280858020 403043880 /nfs/dbraw/zinc/04/38/80/403043880.db2.gz CJTAOEJHBBENSG-ZDUSSCGKSA-N 1 1 320.393 2.450 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000274548008 403066312 /nfs/dbraw/zinc/06/63/12/403066312.db2.gz HAPDTJYJOAZZAA-UHFFFAOYSA-N 1 1 316.361 2.242 20 5 DEBDMO Cc1ccc(NCCN2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000281728884 403085937 /nfs/dbraw/zinc/08/59/37/403085937.db2.gz WBDXWJIENIJHLF-UHFFFAOYSA-N 1 1 306.410 2.341 20 5 DEBDMO Cc1nc(NC[C@@H](C(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000268478084 403086919 /nfs/dbraw/zinc/08/69/19/403086919.db2.gz KVFDTMMXKOHBTF-AWEZNQCLSA-N 1 1 308.382 2.067 20 5 DEBDMO C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275393790 403102231 /nfs/dbraw/zinc/10/22/31/403102231.db2.gz AYJBVTDMCXOCOH-NSHDSACASA-N 1 1 311.357 2.015 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275545519 403104744 /nfs/dbraw/zinc/10/47/44/403104744.db2.gz ZTLWTLWLIAXDIN-BXUZGUMPSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275545519 403104746 /nfs/dbraw/zinc/10/47/46/403104746.db2.gz ZTLWTLWLIAXDIN-BXUZGUMPSA-N 1 1 321.377 2.015 20 5 DEBDMO C[NH+](C)CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000269277673 403127501 /nfs/dbraw/zinc/12/75/01/403127501.db2.gz JVRDQGOFUMZEBX-AWEZNQCLSA-N 1 1 323.393 2.397 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000277592373 403234594 /nfs/dbraw/zinc/23/45/94/403234594.db2.gz NPNMURCGZYIJNE-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277662805 403242725 /nfs/dbraw/zinc/24/27/25/403242725.db2.gz WOVWREBEXPNJPN-UHFFFAOYSA-N 1 1 309.366 2.065 20 5 DEBDMO COC(=O)c1cc(OCCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000271233512 403282193 /nfs/dbraw/zinc/28/21/93/403282193.db2.gz VKPLTRZXZUPFHU-UHFFFAOYSA-N 1 1 319.317 2.355 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCC[N@H+]1C ZINC000345332623 403290346 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DEBDMO C[C@H](NC(=O)N1CCC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000298908406 403483881 /nfs/dbraw/zinc/48/38/81/403483881.db2.gz CUDYFSLOWUCWHA-LBPRGKRZSA-N 1 1 306.366 2.003 20 5 DEBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000286423582 403523037 /nfs/dbraw/zinc/52/30/37/403523037.db2.gz KRLFJCNXWNFABG-CQSZACIVSA-N 1 1 305.378 2.476 20 5 DEBDMO CC[N@@H+](CCOC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000299213203 403547998 /nfs/dbraw/zinc/54/79/98/403547998.db2.gz FAOJPKNLVVVWGF-UHFFFAOYSA-N 1 1 309.366 2.200 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1C ZINC000332225108 403521446 /nfs/dbraw/zinc/52/14/46/403521446.db2.gz BOSKUBGNNKNMOR-MNOVXSKESA-N 1 1 316.361 2.289 20 5 DEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCC[C@H](C)C1 ZINC000301096833 403589658 /nfs/dbraw/zinc/58/96/58/403589658.db2.gz JLUBSICNTUXKIS-LBPRGKRZSA-N 1 1 320.393 2.098 20 5 DEBDMO C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000293899282 403593213 /nfs/dbraw/zinc/59/32/13/403593213.db2.gz FCEDHVGZDADOCP-BETUJISGSA-N 1 1 319.405 2.423 20 5 DEBDMO C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000293899282 403593218 /nfs/dbraw/zinc/59/32/18/403593218.db2.gz FCEDHVGZDADOCP-BETUJISGSA-N 1 1 319.405 2.423 20 5 DEBDMO O=C([C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000287295848 403570212 /nfs/dbraw/zinc/57/02/12/403570212.db2.gz ITHASXBKOLGZOX-CQSZACIVSA-N 1 1 303.362 2.039 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCO[C@@H]1CCCCO1)CC2 ZINC000332437969 403582370 /nfs/dbraw/zinc/58/23/70/403582370.db2.gz BBQUMGJXQKLHQA-MRXNPFEDSA-N 1 1 306.362 2.496 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCO[C@@H]1CCCCO1)CC2 ZINC000332437969 403582375 /nfs/dbraw/zinc/58/23/75/403582375.db2.gz BBQUMGJXQKLHQA-MRXNPFEDSA-N 1 1 306.362 2.496 20 5 DEBDMO Cc1nn(C)c(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301263350 403608596 /nfs/dbraw/zinc/60/85/96/403608596.db2.gz VMWZRORTKNJNCF-TUAOUCFPSA-N 1 1 309.414 2.415 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000173212910 292281937 /nfs/dbraw/zinc/28/19/37/292281937.db2.gz HUCHPMHXAMPBDN-JSGCOSHPSA-N 1 1 305.378 2.315 20 5 DEBDMO Cc1cc(NC[C@H](CC(C)C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000301430004 403628209 /nfs/dbraw/zinc/62/82/09/403628209.db2.gz JFWGKLZHXNFFDD-AWEZNQCLSA-N 1 1 322.409 2.457 20 5 DEBDMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347255325 403638471 /nfs/dbraw/zinc/63/84/71/403638471.db2.gz FLTHVVXZXAINQJ-LLVKDONJSA-N 1 1 310.329 2.340 20 5 DEBDMO CNC(=O)[C@H](C)C[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347355655 403677498 /nfs/dbraw/zinc/67/74/98/403677498.db2.gz CJXYKSFCQDZPRI-LLBKUYECSA-N 1 1 305.378 2.312 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000347364576 403681150 /nfs/dbraw/zinc/68/11/50/403681150.db2.gz BSJVAUGKYBWGQS-DZXKJOIRSA-N 1 1 317.389 2.015 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000294361339 403714043 /nfs/dbraw/zinc/71/40/43/403714043.db2.gz ZBHHFUWQDMQDDP-QGZVFWFLSA-N 1 1 317.389 2.461 20 5 DEBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)C(C)(C)O)c([N+](=O)[O-])c1 ZINC000295141609 403772439 /nfs/dbraw/zinc/77/24/39/403772439.db2.gz LAYZPDQSODNUIW-LLVKDONJSA-N 1 1 312.366 2.073 20 5 DEBDMO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000295247887 403811260 /nfs/dbraw/zinc/81/12/60/403811260.db2.gz PXVSLXCOWBAWMW-ZDUSSCGKSA-N 1 1 323.349 2.486 20 5 DEBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000295247887 403811266 /nfs/dbraw/zinc/81/12/66/403811266.db2.gz PXVSLXCOWBAWMW-ZDUSSCGKSA-N 1 1 323.349 2.486 20 5 DEBDMO CC(C)CC[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305078433 403822945 /nfs/dbraw/zinc/82/29/45/403822945.db2.gz LVACUZWUNUWYBB-ZBFHGGJFSA-N 1 1 324.425 2.443 20 5 DEBDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304375934 403787171 /nfs/dbraw/zinc/78/71/71/403787171.db2.gz XEPFFDOZQSRQBE-VHDGCEQUSA-N 1 1 310.398 2.053 20 5 DEBDMO C[C@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000567207876 292295998 /nfs/dbraw/zinc/29/59/98/292295998.db2.gz OANZRSRQRRPJAV-XQQFMLRXSA-N 1 1 305.378 2.249 20 5 DEBDMO Nc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000309767812 403963149 /nfs/dbraw/zinc/96/31/49/403963149.db2.gz GUFGBXFYERZPBQ-CYBMUJFWSA-N 1 1 313.361 2.258 20 5 DEBDMO C[C@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000567207874 292296105 /nfs/dbraw/zinc/29/61/05/292296105.db2.gz OANZRSRQRRPJAV-AVGNSLFASA-N 1 1 305.378 2.249 20 5 DEBDMO CNc1c(C(=O)NCCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000336864925 403938024 /nfs/dbraw/zinc/93/80/24/403938024.db2.gz SKGNFSNMCMUJSD-UHFFFAOYSA-N 1 1 308.382 2.097 20 5 DEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344213678 403981568 /nfs/dbraw/zinc/98/15/68/403981568.db2.gz HXLOAIVZCFANJZ-JTQLQIEISA-N 1 1 320.324 2.305 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000347978908 403990952 /nfs/dbraw/zinc/99/09/52/403990952.db2.gz LWSWCMFPYLSAJA-AWEZNQCLSA-N 1 1 305.378 2.126 20 5 DEBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000351921722 404008335 /nfs/dbraw/zinc/00/83/35/404008335.db2.gz SZXBPKCMCHICAR-BXUZGUMPSA-N 1 1 317.345 2.105 20 5 DEBDMO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000351921723 404008571 /nfs/dbraw/zinc/00/85/71/404008571.db2.gz SZXBPKCMCHICAR-FZMZJTMJSA-N 1 1 317.345 2.105 20 5 DEBDMO CN1CCC([N@H+]2CC[C@@H](Nc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000369269393 404027402 /nfs/dbraw/zinc/02/74/02/404027402.db2.gz WIGQZDUUPCXLOR-CYBMUJFWSA-N 1 1 322.384 2.314 20 5 DEBDMO C[NH+]1CCC(N2CC[C@@H](Nc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000369269393 404027404 /nfs/dbraw/zinc/02/74/04/404027404.db2.gz WIGQZDUUPCXLOR-CYBMUJFWSA-N 1 1 322.384 2.314 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000412038142 404077178 /nfs/dbraw/zinc/07/71/78/404077178.db2.gz JBWPNOKXPWZNST-LBPRGKRZSA-N 1 1 317.349 2.019 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000412038142 404077183 /nfs/dbraw/zinc/07/71/83/404077183.db2.gz JBWPNOKXPWZNST-LBPRGKRZSA-N 1 1 317.349 2.019 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000412038142 404077185 /nfs/dbraw/zinc/07/71/85/404077185.db2.gz JBWPNOKXPWZNST-LBPRGKRZSA-N 1 1 317.349 2.019 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000341578189 404048236 /nfs/dbraw/zinc/04/82/36/404048236.db2.gz DIEQHSANPCEIPA-HNNXBMFYSA-N 1 1 313.357 2.074 20 5 DEBDMO C[C@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351980448 404053763 /nfs/dbraw/zinc/05/37/63/404053763.db2.gz CEAONKDHYCTVPY-SWLSCSKDSA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351980448 404053771 /nfs/dbraw/zinc/05/37/71/404053771.db2.gz CEAONKDHYCTVPY-SWLSCSKDSA-N 1 1 323.368 2.029 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCCOC1 ZINC000352213099 404219885 /nfs/dbraw/zinc/21/98/85/404219885.db2.gz SWQFUQKSNGZGPC-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO CCOC(=O)c1ccnc(N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000290563513 404221692 /nfs/dbraw/zinc/22/16/92/404221692.db2.gz APFNOOMTEBTFEF-LLVKDONJSA-N 1 1 324.381 2.307 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344476503 404166268 /nfs/dbraw/zinc/16/62/68/404166268.db2.gz YICCGKUMYNJWEK-TXEJJXNPSA-N 1 1 321.377 2.158 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296257001 404167824 /nfs/dbraw/zinc/16/78/24/404167824.db2.gz LTDSOMFJYXKURB-AWEZNQCLSA-N 1 1 324.768 2.110 20 5 DEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296285158 404177925 /nfs/dbraw/zinc/17/79/25/404177925.db2.gz MXGLNQPYRIGFCA-ZDUSSCGKSA-N 1 1 324.768 2.110 20 5 DEBDMO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000363992123 404278775 /nfs/dbraw/zinc/27/87/75/404278775.db2.gz DVXZYGBOFHVQNL-WWGRRREGSA-N 1 1 306.362 2.363 20 5 DEBDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000363992123 404278782 /nfs/dbraw/zinc/27/87/82/404278782.db2.gz DVXZYGBOFHVQNL-WWGRRREGSA-N 1 1 306.362 2.363 20 5 DEBDMO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000350017991 404296563 /nfs/dbraw/zinc/29/65/63/404296563.db2.gz UPXFVUIUXFKVRZ-AWEZNQCLSA-N 1 1 305.378 2.394 20 5 DEBDMO C[N@@H+](C[C@@H](O)Cn1cnc2cc3ccccc3cc2c1=O)C1CC1 ZINC000290790551 404313326 /nfs/dbraw/zinc/31/33/26/404313326.db2.gz OGWQZUILEQEMKH-MRXNPFEDSA-N 1 1 323.396 2.005 20 5 DEBDMO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)no1 ZINC000296785846 404321421 /nfs/dbraw/zinc/32/14/21/404321421.db2.gz SKIVCEMBERTBBH-JTQLQIEISA-N 1 1 304.306 2.181 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1 ZINC000291061461 404373425 /nfs/dbraw/zinc/37/34/25/404373425.db2.gz FUZXWYGYUVPRTE-ZIAGYGMSSA-N 1 1 305.378 2.203 20 5 DEBDMO COc1ccccc1CC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355946318 404380343 /nfs/dbraw/zinc/38/03/43/404380343.db2.gz VCROZFWGQJRBLA-UHFFFAOYSA-N 1 1 304.350 2.011 20 5 DEBDMO COc1ccccc1CC[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355946318 404380347 /nfs/dbraw/zinc/38/03/47/404380347.db2.gz VCROZFWGQJRBLA-UHFFFAOYSA-N 1 1 304.350 2.011 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000338640029 404454515 /nfs/dbraw/zinc/45/45/15/404454515.db2.gz AHGYMGVUROKYAC-MRXNPFEDSA-N 1 1 323.393 2.372 20 5 DEBDMO CC(C)[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571551 404463259 /nfs/dbraw/zinc/46/32/59/404463259.db2.gz WECCIGLFAWKMHL-CYBMUJFWSA-N 1 1 307.394 2.230 20 5 DEBDMO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571551 404463272 /nfs/dbraw/zinc/46/32/72/404463272.db2.gz WECCIGLFAWKMHL-CYBMUJFWSA-N 1 1 307.394 2.230 20 5 DEBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)CC2 ZINC000364855942 404539524 /nfs/dbraw/zinc/53/95/24/404539524.db2.gz NTIVSLNILFPKFU-UHFFFAOYSA-N 1 1 319.361 2.001 20 5 DEBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000330413104 404652312 /nfs/dbraw/zinc/65/23/12/404652312.db2.gz BPYSWKRVEFLPRS-AWEZNQCLSA-N 1 1 305.378 2.361 20 5 DEBDMO C[NH2+]Cc1noc(-c2cc(SC)c(OC)cc2[N+](=O)[O-])n1 ZINC000414496147 404656611 /nfs/dbraw/zinc/65/66/11/404656611.db2.gz CYLVEJIPUHSJQC-UHFFFAOYSA-N 1 1 310.335 2.095 20 5 DEBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414503457 404659572 /nfs/dbraw/zinc/65/95/72/404659572.db2.gz WHUTWIOTDXKAEP-HZRUHFOJSA-N 1 1 303.362 2.018 20 5 DEBDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000351618746 404673659 /nfs/dbraw/zinc/67/36/59/404673659.db2.gz IBIIHGXQBBPUFC-RYUDHWBXSA-N 1 1 318.377 2.454 20 5 DEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000330569675 404690766 /nfs/dbraw/zinc/69/07/66/404690766.db2.gz OAAPYRIJOSEBTQ-LBPRGKRZSA-N 1 1 322.409 2.174 20 5 DEBDMO Cc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000414776953 404731679 /nfs/dbraw/zinc/73/16/79/404731679.db2.gz FDHRSVNZOJSRQC-WBVHZDCISA-N 1 1 319.405 2.231 20 5 DEBDMO CC(C)c1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000353699301 404927608 /nfs/dbraw/zinc/92/76/08/404927608.db2.gz RJZRMYPYADJWCA-AWEZNQCLSA-N 1 1 305.378 2.381 20 5 DEBDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000353699301 404927610 /nfs/dbraw/zinc/92/76/10/404927610.db2.gz RJZRMYPYADJWCA-AWEZNQCLSA-N 1 1 305.378 2.381 20 5 DEBDMO CCc1nn(C)c(N[C@@H]2C[N@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000378367158 404942133 /nfs/dbraw/zinc/94/21/33/404942133.db2.gz DADWJKCHAIOIIX-CQSZACIVSA-N 1 1 315.377 2.489 20 5 DEBDMO CCc1nn(C)c(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000378367158 404942142 /nfs/dbraw/zinc/94/21/42/404942142.db2.gz DADWJKCHAIOIIX-CQSZACIVSA-N 1 1 315.377 2.489 20 5 DEBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000451776311 405033984 /nfs/dbraw/zinc/03/39/84/405033984.db2.gz GPAGOTXRTVVQJS-LBPRGKRZSA-N 1 1 323.393 2.262 20 5 DEBDMO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000408069428 405104941 /nfs/dbraw/zinc/10/49/41/405104941.db2.gz BFMBTLNGFUGPOG-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000408069428 405104943 /nfs/dbraw/zinc/10/49/43/405104943.db2.gz BFMBTLNGFUGPOG-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO Cc1c(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000408148189 405124482 /nfs/dbraw/zinc/12/44/82/405124482.db2.gz FXZNAGWZLGAXFY-NEPJUHHUSA-N 1 1 306.366 2.460 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@H](CCCO)C2)c([N+](=O)[O-])cc1F ZINC000452126095 405184498 /nfs/dbraw/zinc/18/44/98/405184498.db2.gz UCSRFHIBGUAAPV-NSHDSACASA-N 1 1 312.341 2.337 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCOCc1ccccc1 ZINC000439476850 405281245 /nfs/dbraw/zinc/28/12/45/405281245.db2.gz HFFCMUHXWPKTEH-UHFFFAOYSA-N 1 1 318.377 2.367 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCOCc1ccccc1 ZINC000439476850 405281247 /nfs/dbraw/zinc/28/12/47/405281247.db2.gz HFFCMUHXWPKTEH-UHFFFAOYSA-N 1 1 318.377 2.367 20 5 DEBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419329619 405239315 /nfs/dbraw/zinc/23/93/15/405239315.db2.gz PZSFSUZEZNFHKN-KKUMJFAQSA-N 1 1 324.425 2.299 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](CCO)CC3)nc2c1 ZINC000421022769 405432809 /nfs/dbraw/zinc/43/28/09/405432809.db2.gz VECLLWSGLITCMM-LBPRGKRZSA-N 1 1 318.377 2.456 20 5 DEBDMO C[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000429568104 405438111 /nfs/dbraw/zinc/43/81/11/405438111.db2.gz HSYQXRIEZDRBPJ-UMVBOHGHSA-N 1 1 308.378 2.455 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000421744246 405624196 /nfs/dbraw/zinc/62/41/96/405624196.db2.gz NESRLKCYFDBOLO-UHFFFAOYSA-N 1 1 305.378 2.378 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000421699431 405594230 /nfs/dbraw/zinc/59/42/30/405594230.db2.gz AZTAOCZPWMGIIQ-HNNXBMFYSA-N 1 1 319.405 2.425 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000421781296 405645038 /nfs/dbraw/zinc/64/50/38/405645038.db2.gz AGJDPNFMZFRTHQ-WFASDCNBSA-N 1 1 317.389 2.424 20 5 DEBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000457060326 405676322 /nfs/dbraw/zinc/67/63/22/405676322.db2.gz RULKQNCQSUOSMR-UHFFFAOYSA-N 1 1 309.341 2.338 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000457134107 405716633 /nfs/dbraw/zinc/71/66/33/405716633.db2.gz VTEUYERNORNIKB-LBPRGKRZSA-N 1 1 321.377 2.158 20 5 DEBDMO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CC2 ZINC000583999211 405805908 /nfs/dbraw/zinc/80/59/08/405805908.db2.gz ZHURUZZPGSFCNQ-SNVBAGLBSA-N 1 1 318.308 2.440 20 5 DEBDMO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000433149668 405880975 /nfs/dbraw/zinc/88/09/75/405880975.db2.gz DSMLMAICHHDRHS-ZDUSSCGKSA-N 1 1 316.785 2.466 20 5 DEBDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000433149668 405880979 /nfs/dbraw/zinc/88/09/79/405880979.db2.gz DSMLMAICHHDRHS-ZDUSSCGKSA-N 1 1 316.785 2.466 20 5 DEBDMO COCC[N@H+]1CC[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450325009 405835244 /nfs/dbraw/zinc/83/52/44/405835244.db2.gz RWPDCLHFLHMVET-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000567910896 406159264 /nfs/dbraw/zinc/15/92/64/406159264.db2.gz JFANWQPGOWIHRN-QWHCGFSZSA-N 1 1 320.393 2.043 20 5 DEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000487604095 406250325 /nfs/dbraw/zinc/25/03/25/406250325.db2.gz KBMPMPPIAIPZNG-NWDGAFQWSA-N 1 1 320.393 2.122 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000487971398 406279359 /nfs/dbraw/zinc/27/93/59/406279359.db2.gz NGESVKGQMVQCMH-HNNXBMFYSA-N 1 1 307.394 2.375 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)n1 ZINC000488715810 406340068 /nfs/dbraw/zinc/34/00/68/406340068.db2.gz BEARPEUWXBWGFG-YWPYICTPSA-N 1 1 304.394 2.465 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000489315145 406391418 /nfs/dbraw/zinc/39/14/18/406391418.db2.gz CQWIXYUYNHKPGT-CQSZACIVSA-N 1 1 309.341 2.146 20 5 DEBDMO CC(C)[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000489390166 406401300 /nfs/dbraw/zinc/40/13/00/406401300.db2.gz IKAXPPFQIXONJK-AWEZNQCLSA-N 1 1 309.341 2.146 20 5 DEBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCO[C@@H]1C ZINC000489444967 406406526 /nfs/dbraw/zinc/40/65/26/406406526.db2.gz ZKFVVWLYZNCCOE-TZMCWYRMSA-N 1 1 324.377 2.229 20 5 DEBDMO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1F ZINC000546636623 406369334 /nfs/dbraw/zinc/36/93/34/406369334.db2.gz BVTJKLMTFHMVSA-GHMZBOCLSA-N 1 1 312.341 2.335 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1F ZINC000546636623 406369336 /nfs/dbraw/zinc/36/93/36/406369336.db2.gz BVTJKLMTFHMVSA-GHMZBOCLSA-N 1 1 312.341 2.335 20 5 DEBDMO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000523732839 406434993 /nfs/dbraw/zinc/43/49/93/406434993.db2.gz HCYLZXXXYVGUAS-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000523732839 406434998 /nfs/dbraw/zinc/43/49/98/406434998.db2.gz HCYLZXXXYVGUAS-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO O=C1NCC[C@H]1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000570813538 406442861 /nfs/dbraw/zinc/44/28/61/406442861.db2.gz QWJVTMDYXQGBIC-ZDUSSCGKSA-N 1 1 303.362 2.085 20 5 DEBDMO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940166 406458366 /nfs/dbraw/zinc/45/83/66/406458366.db2.gz QHQOATCMWYMZSR-NVXWUHKLSA-N 1 1 321.421 2.087 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524776272 406460102 /nfs/dbraw/zinc/46/01/02/406460102.db2.gz MLQFOUVUGSCIHN-ZDUSSCGKSA-N 1 1 319.405 2.330 20 5 DEBDMO COc1c(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000525997248 406529762 /nfs/dbraw/zinc/52/97/62/406529762.db2.gz OFLPXAJKBGXZOE-LBPRGKRZSA-N 1 1 321.377 2.064 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000491908837 406773948 /nfs/dbraw/zinc/77/39/48/406773948.db2.gz YBNFPLSDDGAJGA-WDYNUWJLSA-N 1 1 303.362 2.207 20 5 DEBDMO COCC[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130887175 196119290 /nfs/dbraw/zinc/11/92/90/196119290.db2.gz IRMZXNXOSHCLMD-UHFFFAOYSA-N 1 1 320.345 2.296 20 5 DEBDMO Cc1[nH+]ccn1CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000297438044 227163729 /nfs/dbraw/zinc/16/37/29/227163729.db2.gz UMCCDGBOHGOXRG-UHFFFAOYSA-N 1 1 322.752 2.412 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000421798066 230000337 /nfs/dbraw/zinc/00/03/37/230000337.db2.gz XKQJQRWRCKMPLR-QWHCGFSZSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000421798066 230000340 /nfs/dbraw/zinc/00/03/40/230000340.db2.gz XKQJQRWRCKMPLR-QWHCGFSZSA-N 1 1 305.378 2.376 20 5 DEBDMO COCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@H]1CC=CCC1 ZINC000362248280 424850823 /nfs/dbraw/zinc/85/08/23/424850823.db2.gz GISBEUNHCHURBX-ZDUSSCGKSA-N 1 1 308.382 2.133 20 5 DEBDMO COCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@H]1CC=CCC1 ZINC000362248280 424850825 /nfs/dbraw/zinc/85/08/25/424850825.db2.gz GISBEUNHCHURBX-ZDUSSCGKSA-N 1 1 308.382 2.133 20 5 DEBDMO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000555337097 424881084 /nfs/dbraw/zinc/88/10/84/424881084.db2.gz PIESPPLKEDUENL-LBPRGKRZSA-N 1 1 312.373 3.039 20 5 DEBDMO CC(C)Oc1nc(NC[C@@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000569590697 424923563 /nfs/dbraw/zinc/92/35/63/424923563.db2.gz ORVKQRJYSZGGHV-LLVKDONJSA-N 1 1 308.382 2.672 20 5 DEBDMO CC(C)[N@@H+](C)CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347398786 425011005 /nfs/dbraw/zinc/01/10/05/425011005.db2.gz IQZGNSCNQUOAMJ-UHFFFAOYSA-N 1 1 303.366 2.680 20 5 DEBDMO C[C@H]1[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CCC[N@H+]1C ZINC000450443750 425073819 /nfs/dbraw/zinc/07/38/19/425073819.db2.gz VXNOJAUDPNXRCB-NHYWBVRUSA-N 1 1 300.362 3.038 20 5 DEBDMO Nc1ccnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451553223 425084941 /nfs/dbraw/zinc/08/49/41/425084941.db2.gz XVWNSQXNGXTYLS-ZDUSSCGKSA-N 1 1 313.361 2.347 20 5 DEBDMO Nc1ccnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451553223 425084943 /nfs/dbraw/zinc/08/49/43/425084943.db2.gz XVWNSQXNGXTYLS-ZDUSSCGKSA-N 1 1 313.361 2.347 20 5 DEBDMO CNc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000390543958 269097147 /nfs/dbraw/zinc/09/71/47/269097147.db2.gz HZNSRPULPRMDNL-GFCCVEGCSA-N 1 1 320.393 2.097 20 5 DEBDMO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C[N@H+]1C ZINC000443505630 269138893 /nfs/dbraw/zinc/13/88/93/269138893.db2.gz AXQLKHJYCAALGX-MNOVXSKESA-N 1 1 317.349 2.174 20 5 DEBDMO COc1cc(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000515308448 269348944 /nfs/dbraw/zinc/34/89/44/269348944.db2.gz LSYWCGWBRZDNHZ-UONOGXRCSA-N 1 1 305.378 2.272 20 5 DEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@@H+](C)C[C@H]1C ZINC000450332181 274140419 /nfs/dbraw/zinc/14/04/19/274140419.db2.gz WXJRBXSQZBWMPX-LLVKDONJSA-N 1 1 316.361 2.292 20 5 DEBDMO Cn1cccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000153236679 274896371 /nfs/dbraw/zinc/89/63/71/274896371.db2.gz GEUHKUWSDQAHFD-UHFFFAOYSA-N 1 1 300.362 2.256 20 5 DEBDMO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CC[N@H+](C4CC4)C3)cc2N1 ZINC000336872807 275018608 /nfs/dbraw/zinc/01/86/08/275018608.db2.gz PXDUFYNWKXAQCY-NSHDSACASA-N 1 1 316.361 2.128 20 5 DEBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000189471199 276350133 /nfs/dbraw/zinc/35/01/33/276350133.db2.gz QXJRBLYBVLBSTR-LBPRGKRZSA-N 1 1 306.284 2.382 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000292642196 277072627 /nfs/dbraw/zinc/07/26/27/277072627.db2.gz BAGUYAFVRWUBLK-OAHLLOKOSA-N 1 1 320.349 2.425 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000338797436 277153058 /nfs/dbraw/zinc/15/30/58/277153058.db2.gz ZAUZIGNRCORMCO-TXEJJXNPSA-N 1 1 321.377 2.219 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H](c2ccccc2)C1 ZINC000371526383 277204260 /nfs/dbraw/zinc/20/42/60/277204260.db2.gz DNWSYXDLDMGDNR-OLZOCXBDSA-N 1 1 315.329 2.015 20 5 DEBDMO C[C@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000574250355 326136677 /nfs/dbraw/zinc/13/66/77/326136677.db2.gz JJAMHNXVJNLTAX-STQMWFEESA-N 1 1 305.378 2.156 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000574427580 326154740 /nfs/dbraw/zinc/15/47/40/326154740.db2.gz ADIMFXSGIMMIQP-NSHDSACASA-N 1 1 316.361 2.242 20 5 DEBDMO COCC[N@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575934292 326257527 /nfs/dbraw/zinc/25/75/27/326257527.db2.gz INEBXEHBMUBLLP-HNNXBMFYSA-N 1 1 307.394 2.140 20 5 DEBDMO COCCN(C)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575934292 326257532 /nfs/dbraw/zinc/25/75/32/326257532.db2.gz INEBXEHBMUBLLP-HNNXBMFYSA-N 1 1 307.394 2.140 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299304820 534336024 /nfs/dbraw/zinc/33/60/24/534336024.db2.gz BZDUNSBVDQWHSH-CABCVRRESA-N 1 1 303.362 2.260 20 5 DEBDMO CC(C)[N@@H+](C)CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129510257 519606735 /nfs/dbraw/zinc/60/67/35/519606735.db2.gz OGBWGACHICJKNE-UHFFFAOYSA-N 1 1 305.378 2.426 20 5 DEBDMO CC(C)OC(=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000157361979 519745445 /nfs/dbraw/zinc/74/54/45/519745445.db2.gz OFGPUYOQHGTSCW-UHFFFAOYSA-N 1 1 321.377 2.059 20 5 DEBDMO CC(C)OCC[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338362717 519770296 /nfs/dbraw/zinc/77/02/96/519770296.db2.gz VGMGAGQPPFNQRI-MRXNPFEDSA-N 1 1 310.394 2.245 20 5 DEBDMO C[NH+](C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccco1 ZINC000124612697 522077731 /nfs/dbraw/zinc/07/77/31/522077731.db2.gz KLQAYSPSHMUGIP-GFCCVEGCSA-N 1 1 319.321 2.007 20 5 DEBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCCCCC1 ZINC000338348968 522947139 /nfs/dbraw/zinc/94/71/39/522947139.db2.gz LSLKGLSNVDZFPW-UHFFFAOYSA-N 1 1 319.405 2.472 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCCCCC1 ZINC000338348968 522947148 /nfs/dbraw/zinc/94/71/48/522947148.db2.gz LSLKGLSNVDZFPW-UHFFFAOYSA-N 1 1 319.405 2.472 20 5 DEBDMO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1O ZINC000249595628 524642585 /nfs/dbraw/zinc/64/25/85/524642585.db2.gz WSTUYKOFLGOIME-XHDPSFHLSA-N 1 1 317.345 2.453 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1O ZINC000249595628 524642595 /nfs/dbraw/zinc/64/25/95/524642595.db2.gz WSTUYKOFLGOIME-XHDPSFHLSA-N 1 1 317.345 2.453 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000493240761 536474809 /nfs/dbraw/zinc/47/48/09/536474809.db2.gz XBFMEQFZKXRXHM-IAQYHMDHSA-N 1 1 321.352 2.290 20 5 DEBDMO CC(C)CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000441527692 527720733 /nfs/dbraw/zinc/72/07/33/527720733.db2.gz VXOMJJVPSMEZRB-INIZCTEOSA-N 1 1 324.425 2.443 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330966848 527852496 /nfs/dbraw/zinc/85/24/96/527852496.db2.gz HXVSGDMRIRONEK-OAHLLOKOSA-N 1 1 320.393 2.250 20 5 DEBDMO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451522504 535628277 /nfs/dbraw/zinc/62/82/77/535628277.db2.gz BHMCLKBPTLEXOA-WFASDCNBSA-N 1 1 321.377 2.280 20 5 DEBDMO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451522504 535628282 /nfs/dbraw/zinc/62/82/82/535628282.db2.gz BHMCLKBPTLEXOA-WFASDCNBSA-N 1 1 321.377 2.280 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000456351211 536136741 /nfs/dbraw/zinc/13/67/41/536136741.db2.gz MCJMJDAJMSBRTH-ZDUSSCGKSA-N 1 1 321.377 2.160 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000451730624 536141619 /nfs/dbraw/zinc/14/16/19/536141619.db2.gz PIWQBGFECGDBJU-AWEZNQCLSA-N 1 1 307.394 2.390 20 5 DEBDMO C[N@H+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000493393332 536399041 /nfs/dbraw/zinc/39/90/41/536399041.db2.gz BRIPFUQNSQOEHE-FPLPWBNLSA-N 1 1 303.362 2.161 20 5 DEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330430786 536800969 /nfs/dbraw/zinc/80/09/69/536800969.db2.gz VQSQOZCZNXGMAM-GHMZBOCLSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330430786 536800972 /nfs/dbraw/zinc/80/09/72/536800972.db2.gz VQSQOZCZNXGMAM-GHMZBOCLSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000489382453 536951397 /nfs/dbraw/zinc/95/13/97/536951397.db2.gz ANYQDQXLHQILQJ-CQSZACIVSA-N 1 1 321.377 2.016 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000892732287 625507136 /nfs/dbraw/zinc/50/71/36/625507136.db2.gz XHJNUQAPRVAMNQ-NSHDSACASA-N 1 1 308.338 2.281 20 5 DEBDMO CN(c1nc2ccccn2c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000804814529 623252451 /nfs/dbraw/zinc/25/24/51/623252451.db2.gz BOHFRJISSVJLFR-FUNVUKJBSA-N 1 1 315.377 2.304 20 5 DEBDMO COc1c(O)ccc(CN2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000891611120 624492281 /nfs/dbraw/zinc/49/22/81/624492281.db2.gz GNXJDORRPSBTMJ-UHFFFAOYSA-N 1 1 323.393 2.083 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000891897927 624652767 /nfs/dbraw/zinc/65/27/67/624652767.db2.gz UAYORWUGZKEUFZ-FRRDWIJNSA-N 1 1 307.398 2.170 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000892085238 624775506 /nfs/dbraw/zinc/77/55/06/624775506.db2.gz KYKKRTGJHXZCQQ-RYUDHWBXSA-N 1 1 323.393 2.224 20 5 DEBDMO COc1c(O)ccc(C[N@H+](C)CCc2nccs2)c1[N+](=O)[O-] ZINC000892186019 624828480 /nfs/dbraw/zinc/82/84/80/624828480.db2.gz VGEYBMQNUHZVDW-UHFFFAOYSA-N 1 1 323.374 2.440 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)CCc2nccs2)c1[N+](=O)[O-] ZINC000892186019 624828482 /nfs/dbraw/zinc/82/84/82/624828482.db2.gz VGEYBMQNUHZVDW-UHFFFAOYSA-N 1 1 323.374 2.440 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)OCCC[N@H+]1CCO[C@H](C)C1 ZINC000893389502 633227938 /nfs/dbraw/zinc/22/79/38/633227938.db2.gz MDWFUNAGXCHAID-CYBMUJFWSA-N 1 1 322.361 2.171 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000893410213 633510843 /nfs/dbraw/zinc/51/08/43/633510843.db2.gz YZXIZVGOPUMZSR-AAEUAGOBSA-N 1 1 324.377 2.292 20 5 DEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC000997774090 633970312 /nfs/dbraw/zinc/97/03/12/633970312.db2.gz BTAXVQFRBAFVES-HZPDHXFCSA-N 1 1 323.437 2.060 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)c1[N+](=O)[O-] ZINC000893900165 636058037 /nfs/dbraw/zinc/05/80/37/636058037.db2.gz LYSYLYJDRFPKOT-ZWNOBZJWSA-N 1 1 310.350 2.166 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)c1[N+](=O)[O-] ZINC000893900165 636058040 /nfs/dbraw/zinc/05/80/40/636058040.db2.gz LYSYLYJDRFPKOT-ZWNOBZJWSA-N 1 1 310.350 2.166 20 5 DEBDMO CCC(=O)c1ccc(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893938177 636069314 /nfs/dbraw/zinc/06/93/14/636069314.db2.gz BWGMCDNYYJWVJH-DOMZBBRYSA-N 1 1 303.362 2.328 20 5 DEBDMO C[C@@H](NC(=O)NCC[N@H+]1CCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000894016408 636092947 /nfs/dbraw/zinc/09/29/47/636092947.db2.gz QWLNJEKIRTYKMG-QWHCGFSZSA-N 1 1 320.393 2.439 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000894125576 636254049 /nfs/dbraw/zinc/25/40/49/636254049.db2.gz UMCGRJKESRNCFM-DGCLKSJQSA-N 1 1 324.377 2.434 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000894275458 636659045 /nfs/dbraw/zinc/65/90/45/636659045.db2.gz KBJVHVHACIKJKU-IINYFYTJSA-N 1 1 306.322 2.033 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000894439753 637039871 /nfs/dbraw/zinc/03/98/71/637039871.db2.gz ZXKSUBASSZNJHK-QWHCGFSZSA-N 1 1 306.366 2.427 20 5 DEBDMO CC[N@@H+](C[C@H]1CCOC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000738082815 637389699 /nfs/dbraw/zinc/38/96/99/637389699.db2.gz TUDDGFGQJJPZMZ-GFCCVEGCSA-N 1 1 304.350 2.260 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000895102104 637560970 /nfs/dbraw/zinc/56/09/70/637560970.db2.gz UCTJONBHRAAHQU-LBPRGKRZSA-N 1 1 309.414 2.286 20 5 DEBDMO C[C@@H]1C[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000741503164 637990389 /nfs/dbraw/zinc/99/03/89/637990389.db2.gz KEEVLAZRWFQHJS-ZYHUDNBSSA-N 1 1 308.407 2.364 20 5 DEBDMO Cc1cnc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c([N+](=O)[O-])c1 ZINC000895565729 638091389 /nfs/dbraw/zinc/09/13/89/638091389.db2.gz CSJVICKKBIVADY-YPMHNXCESA-N 1 1 308.407 2.290 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000896006888 638305443 /nfs/dbraw/zinc/30/54/43/638305443.db2.gz URDVBFCWGSGEBH-UHFFFAOYSA-N 1 1 302.334 2.147 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896515338 638560096 /nfs/dbraw/zinc/56/00/96/638560096.db2.gz ALCKVQJGRJHZCT-CYBMUJFWSA-N 1 1 309.341 2.399 20 5 DEBDMO CCO[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000897067655 639155160 /nfs/dbraw/zinc/15/51/60/639155160.db2.gz BJFNDXICKWYXJE-LBPRGKRZSA-N 1 1 310.350 2.223 20 5 DEBDMO CCO[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000897067655 639155163 /nfs/dbraw/zinc/15/51/63/639155163.db2.gz BJFNDXICKWYXJE-LBPRGKRZSA-N 1 1 310.350 2.223 20 5 DEBDMO C[C@@H]1CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752787823 639220515 /nfs/dbraw/zinc/22/05/15/639220515.db2.gz CABYTEZERLENAP-GFCCVEGCSA-N 1 1 304.350 2.136 20 5 DEBDMO Cc1nn(C)c(Cl)c1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754218375 639403233 /nfs/dbraw/zinc/40/32/33/639403233.db2.gz JGSZOYYNAKRFTJ-UHFFFAOYSA-N 1 1 321.768 2.243 20 5 DEBDMO Cc1nn(C)c(Cl)c1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754218375 639403236 /nfs/dbraw/zinc/40/32/36/639403236.db2.gz JGSZOYYNAKRFTJ-UHFFFAOYSA-N 1 1 321.768 2.243 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000839728079 639827469 /nfs/dbraw/zinc/82/74/69/639827469.db2.gz JBUMKYCPYPGJAG-VBNZEHGJSA-N 1 1 317.389 2.299 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC[C@@H]2C)c1C ZINC000897428207 640199069 /nfs/dbraw/zinc/19/90/69/640199069.db2.gz WKXSQZREAMOVHD-LBPRGKRZSA-N 1 1 305.378 2.426 20 5 DEBDMO C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000761067556 640261551 /nfs/dbraw/zinc/26/15/51/640261551.db2.gz FSVMPCKAVQJAHM-LBPRGKRZSA-N 1 1 316.361 2.386 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000761734610 640341944 /nfs/dbraw/zinc/34/19/44/640341944.db2.gz SLLOINAEMCPNHE-LLVKDONJSA-N 1 1 307.350 2.208 20 5 DEBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000769202481 641193497 /nfs/dbraw/zinc/19/34/97/641193497.db2.gz UCNFELODIDXRGZ-LYASGUKUSA-N 1 1 303.362 2.209 20 5 DEBDMO C[C@@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000776279619 642152757 /nfs/dbraw/zinc/15/27/57/642152757.db2.gz YKGCLDWEIROGTA-KEYYUXOJSA-N 1 1 321.421 2.481 20 5 DEBDMO C[C@@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000776279619 642152759 /nfs/dbraw/zinc/15/27/59/642152759.db2.gz YKGCLDWEIROGTA-KEYYUXOJSA-N 1 1 321.421 2.481 20 5 DEBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900306000 642320012 /nfs/dbraw/zinc/32/00/12/642320012.db2.gz NCCUDXJNOASHBH-MRVPVSSYSA-N 1 1 315.732 2.069 20 5 DEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900403011 642357840 /nfs/dbraw/zinc/35/78/40/642357840.db2.gz NOJNOFHKJLYBRV-UKRRQHHQSA-N 1 1 303.362 2.228 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1C ZINC000901288612 642622722 /nfs/dbraw/zinc/62/27/22/642622722.db2.gz WKRUWTGVVKMNJU-RYUDHWBXSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1C ZINC000901288612 642622723 /nfs/dbraw/zinc/62/27/23/642622723.db2.gz WKRUWTGVVKMNJU-RYUDHWBXSA-N 1 1 305.378 2.376 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000901516519 642698206 /nfs/dbraw/zinc/69/82/06/642698206.db2.gz JGACXLFDHOCZEK-CYBMUJFWSA-N 1 1 307.350 2.415 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000901516519 642698208 /nfs/dbraw/zinc/69/82/08/642698208.db2.gz JGACXLFDHOCZEK-CYBMUJFWSA-N 1 1 307.350 2.415 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000842624493 650785899 /nfs/dbraw/zinc/78/58/99/650785899.db2.gz FEBHHOMLNVOGEU-WBMJQRKESA-N 1 1 316.361 2.321 20 5 DEBDMO COC(=O)[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000347058476 642999675 /nfs/dbraw/zinc/99/96/75/642999675.db2.gz WOXFLHFQBLCGGO-DOMZBBRYSA-N 1 1 322.361 2.247 20 5 DEBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000785545478 643246827 /nfs/dbraw/zinc/24/68/27/643246827.db2.gz GTDXHPHHVWBZJK-KNPMLCFXSA-N 1 1 308.378 2.110 20 5 DEBDMO [NH3+][C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000903540592 643379161 /nfs/dbraw/zinc/37/91/61/643379161.db2.gz DISMMHWBUBTLPB-QWRGUYRKSA-N 1 1 319.283 2.012 20 5 DEBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@H+]1CCCC[C@@H]1C ZINC000786772542 643406721 /nfs/dbraw/zinc/40/67/21/643406721.db2.gz KBDHPRYVIQOQMK-NWDGAFQWSA-N 1 1 320.393 2.170 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H]2CC[N@H+](C)C2)n1 ZINC000904004044 643545063 /nfs/dbraw/zinc/54/50/63/643545063.db2.gz NSQONPATVGFPFV-NSHDSACASA-N 1 1 302.334 2.447 20 5 DEBDMO COc1cccc(Oc2ccc(C[NH2+]CC[N+](=O)[O-])cn2)c1 ZINC000905051761 643771857 /nfs/dbraw/zinc/77/18/57/643771857.db2.gz HOAYWPSVHVOJJI-UHFFFAOYSA-N 1 1 303.318 2.249 20 5 DEBDMO COc1cc(C(=O)OCCn2cc[nH+]c2C)cc([N+](=O)[O-])c1C ZINC000791688126 644017137 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COc1ccc(NC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000930768869 694237334 /nfs/dbraw/zinc/23/73/34/694237334.db2.gz LFUORRRCSWPSLC-LBPRGKRZSA-N 1 1 322.365 2.161 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000871764317 688863240 /nfs/dbraw/zinc/86/32/40/688863240.db2.gz FSAKINZVCWPMGG-UONOGXRCSA-N 1 1 322.340 2.434 20 5 DEBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)C1CC=CC1 ZINC001031590114 688957522 /nfs/dbraw/zinc/95/75/22/688957522.db2.gz VWIFFSFMNXOBCA-UHFFFAOYSA-N 1 1 315.373 2.109 20 5 DEBDMO COc1cc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000872779851 689091966 /nfs/dbraw/zinc/09/19/66/689091966.db2.gz JAYBZOPQZNEOAD-NEPJUHHUSA-N 1 1 309.341 2.415 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@@H]1C ZINC000930913482 694271531 /nfs/dbraw/zinc/27/15/31/694271531.db2.gz XMWOXSAVTZJQQY-UHIISALHSA-N 1 1 321.377 2.078 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000874326128 689389578 /nfs/dbraw/zinc/38/95/78/689389578.db2.gz ICXQCFLFXMMOEY-NSHDSACASA-N 1 1 305.378 2.424 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874823135 689500014 /nfs/dbraw/zinc/50/00/14/689500014.db2.gz GAMUWEAVBWABNW-CHWSQXEVSA-N 1 1 321.352 2.351 20 5 DEBDMO Cc1c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874849606 689518203 /nfs/dbraw/zinc/51/82/03/689518203.db2.gz KKWQQPMEZUKING-CABCVRRESA-N 1 1 303.362 2.212 20 5 DEBDMO C[N@H+](CCNC1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCCC1 ZINC000876984384 689989906 /nfs/dbraw/zinc/98/99/06/689989906.db2.gz GSDBUQRZSXYYDD-UHFFFAOYSA-N 1 1 321.425 2.349 20 5 DEBDMO C[N@@H+](CCNC1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCCC1 ZINC000876984384 689989908 /nfs/dbraw/zinc/98/99/08/689989908.db2.gz GSDBUQRZSXYYDD-UHFFFAOYSA-N 1 1 321.425 2.349 20 5 DEBDMO CSC1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000877124689 690023831 /nfs/dbraw/zinc/02/38/31/690023831.db2.gz ZHGFOLLMRAVCRY-HNNXBMFYSA-N 1 1 323.418 2.123 20 5 DEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931198845 694338218 /nfs/dbraw/zinc/33/82/18/694338218.db2.gz RZYCWUFTWNLFFL-JTQLQIEISA-N 1 1 302.334 2.153 20 5 DEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931198845 694338222 /nfs/dbraw/zinc/33/82/22/694338222.db2.gz RZYCWUFTWNLFFL-JTQLQIEISA-N 1 1 302.334 2.153 20 5 DEBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877495020 690131153 /nfs/dbraw/zinc/13/11/53/690131153.db2.gz XIZJRJIGVDCCNR-INIZCTEOSA-N 1 1 305.378 2.170 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000878835678 690510109 /nfs/dbraw/zinc/51/01/09/690510109.db2.gz CTFDUMNWOQZPSD-ZENOOKHLSA-N 1 1 307.394 2.043 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879229602 690597210 /nfs/dbraw/zinc/59/72/10/690597210.db2.gz ZTFXSLHNIPQTIA-WFASDCNBSA-N 1 1 318.377 2.461 20 5 DEBDMO NC(=O)[C@@H](C1CC1)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000879491480 690653663 /nfs/dbraw/zinc/65/36/63/690653663.db2.gz IAEWWPQLZSEMDP-MRXNPFEDSA-N 1 1 317.389 2.113 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000879501525 690655817 /nfs/dbraw/zinc/65/58/17/690655817.db2.gz KIDYEFIFBDNZQL-VIFPVBQESA-N 1 1 312.757 2.464 20 5 DEBDMO COC(=O)CC[C@@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000880042642 690789840 /nfs/dbraw/zinc/78/98/40/690789840.db2.gz FPBJECBJNWKVRU-NSHDSACASA-N 1 1 311.338 2.056 20 5 DEBDMO COC(=O)CC[C@@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000880042642 690789844 /nfs/dbraw/zinc/78/98/44/690789844.db2.gz FPBJECBJNWKVRU-NSHDSACASA-N 1 1 311.338 2.056 20 5 DEBDMO COCC1([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000880185133 690833450 /nfs/dbraw/zinc/83/34/50/690833450.db2.gz GCJLLXPHPZYCFF-UHFFFAOYSA-N 1 1 321.377 2.424 20 5 DEBDMO COCC1([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000880187299 690833977 /nfs/dbraw/zinc/83/39/77/690833977.db2.gz CYJVBWYSKASACL-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO COCC1([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000880187299 690833981 /nfs/dbraw/zinc/83/39/81/690833981.db2.gz CYJVBWYSKASACL-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO COCC1([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC000880187897 690834481 /nfs/dbraw/zinc/83/44/81/690834481.db2.gz QSGGNBXEBZVOCZ-UHFFFAOYSA-N 1 1 324.377 2.483 20 5 DEBDMO O=C(CC[N@H+]1CC[C@@H](CF)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000880298792 690862906 /nfs/dbraw/zinc/86/29/06/690862906.db2.gz JVLIEVQIYCAWGV-JTQLQIEISA-N 1 1 313.304 2.354 20 5 DEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000931494752 694412103 /nfs/dbraw/zinc/41/21/03/694412103.db2.gz QANIXMHJMZQKEJ-BETUJISGSA-N 1 1 318.377 2.183 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)cc1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000881352119 691078429 /nfs/dbraw/zinc/07/84/29/691078429.db2.gz ANFIRSHWVMALCS-UHFFFAOYSA-N 1 1 321.768 2.484 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000882482048 691291485 /nfs/dbraw/zinc/29/14/85/691291485.db2.gz XGOBGGBDFXVBDA-SNVBAGLBSA-N 1 1 309.391 2.141 20 5 DEBDMO C[C@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000883396696 691496929 /nfs/dbraw/zinc/49/69/29/691496929.db2.gz UZVWCSHFRHDUKJ-CMPLNLGQSA-N 1 1 321.352 2.395 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000931852846 694492873 /nfs/dbraw/zinc/49/28/73/694492873.db2.gz NXBVEPYGSYUYJJ-UHFFFAOYSA-N 1 1 323.418 2.485 20 5 DEBDMO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000886018563 691984670 /nfs/dbraw/zinc/98/46/70/691984670.db2.gz CGXXDZUXXGTLLP-CYBMUJFWSA-N 1 1 301.346 2.373 20 5 DEBDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000886018563 691984674 /nfs/dbraw/zinc/98/46/74/691984674.db2.gz CGXXDZUXXGTLLP-CYBMUJFWSA-N 1 1 301.346 2.373 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000886188376 692019806 /nfs/dbraw/zinc/01/98/06/692019806.db2.gz QSKLUDJZVNNHJS-QGZVFWFLSA-N 1 1 313.357 2.304 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000886300281 692049123 /nfs/dbraw/zinc/04/91/23/692049123.db2.gz DTVGEFXOJJMPJU-UHFFFAOYSA-N 1 1 311.345 2.216 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000886300281 692049129 /nfs/dbraw/zinc/04/91/29/692049129.db2.gz DTVGEFXOJJMPJU-UHFFFAOYSA-N 1 1 311.345 2.216 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886832322 692203443 /nfs/dbraw/zinc/20/34/43/692203443.db2.gz GGIGOXUDYVEIMI-CZUORRHYSA-N 1 1 306.362 2.475 20 5 DEBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c(F)c1 ZINC000932000191 694522791 /nfs/dbraw/zinc/52/27/91/694522791.db2.gz NBIDOIQYWHKTFJ-SECBINFHSA-N 1 1 314.288 2.068 20 5 DEBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](C3OCCO3)C2)c(F)c1 ZINC000932000191 694522795 /nfs/dbraw/zinc/52/27/95/694522795.db2.gz NBIDOIQYWHKTFJ-SECBINFHSA-N 1 1 314.288 2.068 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000932006858 694524700 /nfs/dbraw/zinc/52/47/00/694524700.db2.gz ZTJXZVOACZDYFW-JTQLQIEISA-N 1 1 312.753 2.443 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000887924761 692480460 /nfs/dbraw/zinc/48/04/60/692480460.db2.gz YVWOZLJQRQERTO-BZNIZROVSA-N 1 1 321.352 2.066 20 5 DEBDMO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000932109553 694549446 /nfs/dbraw/zinc/54/94/46/694549446.db2.gz RCSQIFFJPRQJBB-DGCLKSJQSA-N 1 1 322.361 2.234 20 5 DEBDMO Cn1ccc([C@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC000932132677 694556395 /nfs/dbraw/zinc/55/63/95/694556395.db2.gz MDUBTUQHNSFIBN-LBPRGKRZSA-N 1 1 301.350 2.103 20 5 DEBDMO Cn1ccc([C@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC000932132677 694556400 /nfs/dbraw/zinc/55/64/00/694556400.db2.gz MDUBTUQHNSFIBN-LBPRGKRZSA-N 1 1 301.350 2.103 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000890079341 692856561 /nfs/dbraw/zinc/85/65/61/692856561.db2.gz UUHBMHLNLNEIAV-UHFFFAOYSA-N 1 1 305.378 2.365 20 5 DEBDMO COc1ccc(OC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000890175936 692882008 /nfs/dbraw/zinc/88/20/08/692882008.db2.gz BWAMMTJKLBXWDS-QWRGUYRKSA-N 1 1 308.334 2.239 20 5 DEBDMO Cn1ccc(C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)n1 ZINC000932140071 694558916 /nfs/dbraw/zinc/55/89/16/694558916.db2.gz UZTPDHSKJJNQIA-UHFFFAOYSA-N 1 1 301.350 2.103 20 5 DEBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(F)c1 ZINC000895564822 692997455 /nfs/dbraw/zinc/99/74/55/692997455.db2.gz LTEJSMWKLYSGHW-NWDGAFQWSA-N 1 1 312.370 2.121 20 5 DEBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)c(F)c1 ZINC000895564822 692997459 /nfs/dbraw/zinc/99/74/59/692997459.db2.gz LTEJSMWKLYSGHW-NWDGAFQWSA-N 1 1 312.370 2.121 20 5 DEBDMO COc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896521031 693003563 /nfs/dbraw/zinc/00/35/63/693003563.db2.gz BSLKKLJSBJSBPE-ZDUSSCGKSA-N 1 1 321.377 2.269 20 5 DEBDMO CNC(=O)c1ccc(NCC[N@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000897248767 693016326 /nfs/dbraw/zinc/01/63/26/693016326.db2.gz BAUAQGMSYOQWSY-UHFFFAOYSA-N 1 1 320.393 2.098 20 5 DEBDMO CCC(=O)N1CC2(C1)CC[NH+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC001050399828 693172843 /nfs/dbraw/zinc/17/28/43/693172843.db2.gz SOKHHFUUSNMAGT-UHFFFAOYSA-N 1 1 323.418 2.491 20 5 DEBDMO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000932441503 694616266 /nfs/dbraw/zinc/61/62/66/694616266.db2.gz YOWQZHKOYQVJKC-AWEZNQCLSA-N 1 1 305.378 2.474 20 5 DEBDMO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000932441503 694616267 /nfs/dbraw/zinc/61/62/67/694616267.db2.gz YOWQZHKOYQVJKC-AWEZNQCLSA-N 1 1 305.378 2.474 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001334421051 1150302424 /nfs/dbraw/zinc/30/24/24/1150302424.db2.gz FHAWMGVQYUEMRO-OAHLLOKOSA-N 1 1 317.389 2.352 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001335697200 1150504705 /nfs/dbraw/zinc/50/47/05/1150504705.db2.gz LDYMEUOUXYCHTK-QWHCGFSZSA-N 1 1 319.340 2.325 20 5 DEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001344098563 1150797200 /nfs/dbraw/zinc/79/72/00/1150797200.db2.gz JTXSZYRBYCCOAZ-SNVBAGLBSA-N 1 1 311.769 2.333 20 5 DEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001344098563 1150797202 /nfs/dbraw/zinc/79/72/02/1150797202.db2.gz JTXSZYRBYCCOAZ-SNVBAGLBSA-N 1 1 311.769 2.333 20 5 DEBDMO COc1cccc([C@@]2(C)CC[N@H+](Cn3nccc3[N+](=O)[O-])C2)c1 ZINC001347238591 1151050631 /nfs/dbraw/zinc/05/06/31/1151050631.db2.gz REWJRRKFRMSRBN-INIZCTEOSA-N 1 1 316.361 2.421 20 5 DEBDMO COc1cccc([C@@]2(C)CC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)c1 ZINC001347238591 1151050632 /nfs/dbraw/zinc/05/06/32/1151050632.db2.gz REWJRRKFRMSRBN-INIZCTEOSA-N 1 1 316.361 2.421 20 5 DEBDMO COC(=O)Cc1ccc(NC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001348380283 1151150879 /nfs/dbraw/zinc/15/08/79/1151150879.db2.gz YHRRHZSFNFDMIG-CYBMUJFWSA-N 1 1 321.377 2.207 20 5 DEBDMO Cc1nn(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC001356057137 1152054961 /nfs/dbraw/zinc/05/49/61/1152054961.db2.gz NBKCRHZINYQWNC-SOUVJXGZSA-N 1 1 321.425 2.028 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC1(C)C ZINC001435569648 1178980037 /nfs/dbraw/zinc/98/00/37/1178980037.db2.gz ORBWOMVBEGNIEB-UHFFFAOYSA-N 1 1 309.341 2.209 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)CC1(C)C ZINC001435569648 1178980058 /nfs/dbraw/zinc/98/00/58/1178980058.db2.gz ORBWOMVBEGNIEB-UHFFFAOYSA-N 1 1 309.341 2.209 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001164634075 719232716 /nfs/dbraw/zinc/23/27/16/719232716.db2.gz FNDVQKPHIAZHCB-AMRKSYTLSA-N 1 1 319.409 2.051 20 5 DEBDMO Cc1nn(C[N@H+]2CCC[C@H](CF)C2)c2ncc([N+](=O)[O-])cc12 ZINC001333312618 1150032381 /nfs/dbraw/zinc/03/23/81/1150032381.db2.gz XKXCLQWZEVLCMA-LLVKDONJSA-N 1 1 307.329 2.287 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC001333671286 1150076819 /nfs/dbraw/zinc/07/68/19/1150076819.db2.gz QAPXNXUOMHXVOB-ABAIWWIYSA-N 1 1 320.349 2.424 20 5 DEBDMO C[N@@H+]1CCCC[C@H]1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000745083939 784676289 /nfs/dbraw/zinc/67/62/89/784676289.db2.gz ZZNJGZGEGOGBCY-AWEZNQCLSA-N 1 1 308.334 2.001 20 5 DEBDMO C[N@H+]1CCCC[C@H]1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000745083939 784676299 /nfs/dbraw/zinc/67/62/99/784676299.db2.gz ZZNJGZGEGOGBCY-AWEZNQCLSA-N 1 1 308.334 2.001 20 5 DEBDMO CN1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001169008564 785002438 /nfs/dbraw/zinc/00/24/38/785002438.db2.gz SQXANKWVXCOURJ-USXIJHARSA-N 1 1 303.406 2.421 20 5 DEBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@]1(O)C(F)(F)F ZINC001169011841 785003091 /nfs/dbraw/zinc/00/30/91/785003091.db2.gz MRVQOEBAPYFEOD-KXNHARMFSA-N 1 1 310.316 2.067 20 5 DEBDMO 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ZINC001170329835 786911810 /nfs/dbraw/zinc/91/18/10/786911810.db2.gz VLQNSCNOAZMQPO-SCRDCRAPSA-N 1 1 308.378 2.237 20 5 DEBDMO CCC[N@@H+](C)CCC(=O)NCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001093771130 792588413 /nfs/dbraw/zinc/58/84/13/792588413.db2.gz YUDZLBHPGFVEAF-UHFFFAOYSA-N 1 1 322.409 2.163 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@H](O)[C@@H](F)C1)CC2 ZINC001172906325 793524113 /nfs/dbraw/zinc/52/41/13/793524113.db2.gz XEHPZXIJNMOXTJ-VNQPRFMTSA-N 1 1 308.353 2.247 20 5 DEBDMO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173226197 793643346 /nfs/dbraw/zinc/64/33/46/793643346.db2.gz LHPDJCFGJAYTGQ-TZMCWYRMSA-N 1 1 306.362 2.411 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001173229863 793644841 /nfs/dbraw/zinc/64/48/41/793644841.db2.gz VWUINDUVCWHOCN-DGCLKSJQSA-N 1 1 314.332 2.475 20 5 DEBDMO COC(=O)C[C@H]1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173238374 793656078 /nfs/dbraw/zinc/65/60/78/793656078.db2.gz QRFXGSBRZNRJCU-GXTWGEPZSA-N 1 1 306.362 2.411 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001177043522 794566019 /nfs/dbraw/zinc/56/60/19/794566019.db2.gz AXIXOFNEHUZESV-LBPRGKRZSA-N 1 1 304.350 2.262 20 5 DEBDMO COC(=O)[C@@H]1CC[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC001119974445 795381413 /nfs/dbraw/zinc/38/14/13/795381413.db2.gz ZJWXRWNEGMLAKX-MNOVXSKESA-N 1 1 315.329 2.319 20 5 DEBDMO CN(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001120609786 795497843 /nfs/dbraw/zinc/49/78/43/795497843.db2.gz GFYKQLMDAVNFKI-BZUAXINKSA-N 1 1 319.405 2.091 20 5 DEBDMO O=[N+]([O-])c1c2nonc2ccc1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001120803968 795534420 /nfs/dbraw/zinc/53/44/20/795534420.db2.gz BYIKVEFRADPPTF-JOYOIKCWSA-N 1 1 303.322 2.170 20 5 DEBDMO COc1cc(C)nc(N[C@H]2CC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC001161177807 796141261 /nfs/dbraw/zinc/14/12/61/796141261.db2.gz UPXHXMJAZPPMQY-NSHDSACASA-N 1 1 306.366 2.346 20 5 DEBDMO 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/nfs/dbraw/zinc/40/52/13/798405213.db2.gz WBUPKPQPBHHMSE-QMMMGPOBSA-N 1 1 318.711 2.082 20 5 DEBDMO N[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001159790006 798608530 /nfs/dbraw/zinc/60/85/30/798608530.db2.gz ZOVBEEYMEUCNJL-CYBMUJFWSA-N 1 1 319.340 2.232 20 5 DEBDMO Cc1cccc(N2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)[nH+]1 ZINC001163659584 799396836 /nfs/dbraw/zinc/39/68/36/799396836.db2.gz MLHYGBXSFFSKAT-UHFFFAOYSA-N 1 1 313.361 2.328 20 5 DEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+](C(C)C)[C@H](C)C2)n1 ZINC001165199117 799671531 /nfs/dbraw/zinc/67/15/31/799671531.db2.gz IIKNPLUHYRRACF-SECBINFHSA-N 1 1 313.789 2.266 20 5 DEBDMO CC(C)[N@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC001165199348 799671696 /nfs/dbraw/zinc/67/16/96/799671696.db2.gz QXQJIUHLOVZBFE-GFCCVEGCSA-N 1 1 315.377 2.457 20 5 DEBDMO COC(=O)c1cccc2[nH+]cc(Nc3ccc([N+](=O)[O-])nc3)n21 ZINC001203568918 800083535 /nfs/dbraw/zinc/08/35/35/800083535.db2.gz JPYXUGOVGLGYPL-UHFFFAOYSA-N 1 1 313.273 2.168 20 5 DEBDMO 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ZINC001234049969 802280396 /nfs/dbraw/zinc/28/03/96/802280396.db2.gz FNXGZSIUTDLILU-LBPRGKRZSA-N 1 1 308.334 2.245 20 5 DEBDMO C[C@@H](O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC001224026666 802830305 /nfs/dbraw/zinc/83/03/05/802830305.db2.gz RJBGLYIEOPYMCD-UCDYDWOKSA-N 1 1 304.346 2.477 20 5 DEBDMO O=[N+]([O-])c1ccc(CO[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001224097422 802835721 /nfs/dbraw/zinc/83/57/21/802835721.db2.gz UOYFRDJOSLBGSJ-LBPRGKRZSA-N 1 1 318.289 2.231 20 5 DEBDMO O=[N+]([O-])c1cc(Cl)cnc1OC1CC[NH+](CCF)CC1 ZINC001226129783 803058489 /nfs/dbraw/zinc/05/84/89/803058489.db2.gz HBZDZCYXNIPWIH-UHFFFAOYSA-N 1 1 303.721 2.456 20 5 DEBDMO O=[N+]([O-])c1cnc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC001226730465 803150952 /nfs/dbraw/zinc/15/09/52/803150952.db2.gz GNUZSGLTQNPABE-AWEZNQCLSA-N 1 1 300.318 2.038 20 5 DEBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC001227744699 803274447 /nfs/dbraw/zinc/27/44/47/803274447.db2.gz HXESMNGLCODIKU-IAZYJMLFSA-N 1 1 302.334 2.475 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CCOc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228210950 803332303 /nfs/dbraw/zinc/33/23/03/803332303.db2.gz KRZLCKQGOARXDC-LLVKDONJSA-N 1 1 323.374 2.304 20 5 DEBDMO CC[NH+](CC)C[C@H](C)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228602359 803379960 /nfs/dbraw/zinc/37/99/60/803379960.db2.gz ACQBFLPYDGCALB-VIFPVBQESA-N 1 1 310.354 2.077 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228661739 803389720 /nfs/dbraw/zinc/38/97/20/803389720.db2.gz ZIBWOHJEKPSXQU-WFASDCNBSA-N 1 1 314.345 2.284 20 5 DEBDMO COC(=O)N1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC001331042358 1149366644 /nfs/dbraw/zinc/36/66/44/1149366644.db2.gz YAFKUXSUOUZBDS-UHFFFAOYSA-N 1 1 321.377 2.486 20 5 DEBDMO COC(=O)N1CCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC001331042358 1149366647 /nfs/dbraw/zinc/36/66/47/1149366647.db2.gz YAFKUXSUOUZBDS-UHFFFAOYSA-N 1 1 321.377 2.486 20 5 DEBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001331273760 1149408648 /nfs/dbraw/zinc/40/86/48/1149408648.db2.gz CLROCTMETITQHS-LBPRGKRZSA-N 1 1 322.340 2.436 20 5 DEBDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001603874804 1070132352 /nfs/dbraw/zinc/13/23/52/1070132352.db2.gz PWPTWRLHXODCMA-GHMZBOCLSA-N 1 1 316.365 2.395 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001457415778 1057979598 /nfs/dbraw/zinc/97/95/98/1057979598.db2.gz RINOOCDNYOEMQM-OAHLLOKOSA-N 1 1 319.405 2.425 20 5 DEBDMO COc1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CCC[N@H+]3C)c2c1 ZINC001472834930 1060592379 /nfs/dbraw/zinc/59/23/79/1060592379.db2.gz JHTCDCYKJDSQHS-LLVKDONJSA-N 1 1 316.361 2.080 20 5 DEBDMO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](O)C(F)F ZINC001474552695 1060894226 /nfs/dbraw/zinc/89/42/26/1060894226.db2.gz QICFUZNFSGZAAL-PELKAZGASA-N 1 1 315.276 2.230 20 5 DEBDMO CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001495917627 1065173829 /nfs/dbraw/zinc/17/38/29/1065173829.db2.gz RDFIJCRJZGTBHB-JHZNUDOXSA-N 1 1 309.410 2.027 20 5 DEBDMO O=C(Nc1cccc2c1C[N@H+](C1CC1)C2)c1c[nH]nc1[N+](=O)[O-] ZINC001624484224 1078223385 /nfs/dbraw/zinc/22/33/85/1078223385.db2.gz ILZPXQOIQKUURW-UHFFFAOYSA-N 1 1 313.317 2.048 20 5 DEBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1N)C1CCCCC1 ZINC001626847783 1078264482 /nfs/dbraw/zinc/26/44/82/1078264482.db2.gz GFWLWLJJYHLLKT-UHFFFAOYSA-N 1 1 320.393 2.171 20 5 DEBDMO C[C@@]([NH3+])(C(=O)N1CCCC2(CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001576080103 1066490241 /nfs/dbraw/zinc/49/02/41/1066490241.db2.gz CAXCETRPHGSBIT-HNNXBMFYSA-N 1 1 303.362 2.171 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)n1 ZINC001634128258 1078420907 /nfs/dbraw/zinc/42/09/07/1078420907.db2.gz RTLJVHGNHBUESP-UHFFFAOYSA-N 1 1 320.393 2.150 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001540411767 1072410404 /nfs/dbraw/zinc/41/04/04/1072410404.db2.gz UZFVIHFFZKTBSL-LBPRGKRZSA-N 1 1 320.393 2.171 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001645792824 1078999276 /nfs/dbraw/zinc/99/92/76/1078999276.db2.gz RXRUYSBIIZQKKE-BZNIZROVSA-N 1 1 321.352 2.066 20 5 DEBDMO O=C(Nc1c[nH+]ccc1Nc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC001557305635 1075061699 /nfs/dbraw/zinc/06/16/99/1075061699.db2.gz DIBLKBXGQDVZMN-UHFFFAOYSA-N 1 1 324.300 2.131 20 5 DEBDMO Cc1c(C[N@@H+]2CCC[C@H](c3cn(C)nn3)C2)cccc1[N+](=O)[O-] ZINC001560218133 1075134078 /nfs/dbraw/zinc/13/40/78/1075134078.db2.gz VGYDYYHBTURFMX-AWEZNQCLSA-N 1 1 315.377 2.411 20 5 DEBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590227771 1076591687 /nfs/dbraw/zinc/59/16/87/1076591687.db2.gz RHASLODNYKZMIJ-WDEREUQCSA-N 1 1 316.365 2.395 20 5 DEBDMO C[N@H+]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001597304619 1077092654 /nfs/dbraw/zinc/09/26/54/1077092654.db2.gz DSRQAIIFPOJVLE-CYBMUJFWSA-N 1 1 323.418 2.143 20 5 DEBDMO C[C@@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@@H]1C ZINC001609167813 1077782174 /nfs/dbraw/zinc/78/21/74/1077782174.db2.gz BUEHQDLZOJRWOP-NXEZZACHSA-N 1 1 302.338 2.005 20 5 DEBDMO O=C(NCC1([NH2+]CCC2CCCCC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001484634656 1079694045 /nfs/dbraw/zinc/69/40/45/1079694045.db2.gz PNCLYTIXIIVYET-HUUCEWRRSA-N 1 1 323.437 2.251 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001651085838 1079788642 /nfs/dbraw/zinc/78/86/42/1079788642.db2.gz QIZJRHCHJLQFJF-LBPRGKRZSA-N 1 1 317.389 2.466 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001651085838 1079788649 /nfs/dbraw/zinc/78/86/49/1079788649.db2.gz QIZJRHCHJLQFJF-LBPRGKRZSA-N 1 1 317.389 2.466 20 5 DEBDMO Cc1cc([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC001654902382 1079981627 /nfs/dbraw/zinc/98/16/27/1079981627.db2.gz HCRPBGMHFVCLGR-CQSZACIVSA-N 1 1 304.354 2.050 20 5 DEBDMO Cc1cc([C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC001654902382 1079981631 /nfs/dbraw/zinc/98/16/31/1079981631.db2.gz HCRPBGMHFVCLGR-CQSZACIVSA-N 1 1 304.354 2.050 20 5 DEBDMO C[C@@H]1Cc2n[nH]cc2C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001655590210 1080008064 /nfs/dbraw/zinc/00/80/64/1080008064.db2.gz WKJNQDGFXXHNRP-GFCCVEGCSA-N 1 1 316.361 2.391 20 5 DEBDMO COc1ccc(CN[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001655872522 1080021779 /nfs/dbraw/zinc/02/17/79/1080021779.db2.gz XNSKWDBFRJIPBX-SMDDNHRTSA-N 1 1 305.378 2.176 20 5 DEBDMO COc1ccc(CN[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001655872522 1080021788 /nfs/dbraw/zinc/02/17/88/1080021788.db2.gz XNSKWDBFRJIPBX-SMDDNHRTSA-N 1 1 305.378 2.176 20 5 DEBDMO COc1ccc(CN[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001655872521 1080021983 /nfs/dbraw/zinc/02/19/83/1080021983.db2.gz XNSKWDBFRJIPBX-RISCZKNCSA-N 1 1 305.378 2.176 20 5 DEBDMO COc1ccc(CN[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001655872521 1080021992 /nfs/dbraw/zinc/02/19/92/1080021992.db2.gz XNSKWDBFRJIPBX-RISCZKNCSA-N 1 1 305.378 2.176 20 5 DEBDMO CCCNC(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001655970288 1080028166 /nfs/dbraw/zinc/02/81/66/1080028166.db2.gz DWGVKKXOTGKMNL-UHFFFAOYSA-N 1 1 317.345 2.471 20 5 DEBDMO CCc1ccc2c(c1)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC001656567754 1080102630 /nfs/dbraw/zinc/10/26/30/1080102630.db2.gz LIZKQLVLUDTFMY-UHFFFAOYSA-N 1 1 300.362 2.412 20 5 DEBDMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CC1 ZINC001667528543 1081260165 /nfs/dbraw/zinc/26/01/65/1081260165.db2.gz BOYISFHSRDQGFQ-UHFFFAOYSA-N 1 1 305.378 2.285 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC001320080206 1140818871 /nfs/dbraw/zinc/81/88/71/1140818871.db2.gz CMGSOFSBTDFFCS-NUEKZKHPSA-N 1 1 306.362 2.129 20 5 DEBDMO CCOC(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001320585807 1140882825 /nfs/dbraw/zinc/88/28/25/1140882825.db2.gz XISACVWYXUVWJU-GJZGRUSLSA-N 1 1 322.361 2.046 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCCNC2)c1F ZINC001246358934 1140888271 /nfs/dbraw/zinc/88/82/71/1140888271.db2.gz RPRPJZSIXNKSGW-GHMZBOCLSA-N 1 1 311.357 2.015 20 5 DEBDMO Cc1c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnn1C ZINC001322278370 1141501691 /nfs/dbraw/zinc/50/16/91/1141501691.db2.gz ZBAXDHDIHUCVBG-VIFPVBQESA-N 1 1 319.321 2.396 20 5 DEBDMO C[C@@H](C[NH+]1CCC(C)CC1)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336752610 1142559750 /nfs/dbraw/zinc/55/97/50/1142559750.db2.gz ZTONCPNCVGPDPP-WMLDXEAASA-N 1 1 321.421 2.338 20 5 DEBDMO C[C@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1O ZINC001254475035 1143130679 /nfs/dbraw/zinc/13/06/79/1143130679.db2.gz YSPCZSJLJADTKK-SUMWQHHRSA-N 1 1 319.405 2.266 20 5 DEBDMO CN(C)C1(C)C[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479941 1143134891 /nfs/dbraw/zinc/13/48/91/1143134891.db2.gz RFESSJSCCANHTK-UHFFFAOYSA-N 1 1 318.421 2.200 20 5 DEBDMO COC(=O)[C@@]1(F)CC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254550859 1143245715 /nfs/dbraw/zinc/24/57/15/1143245715.db2.gz SPTQDMNHHWITAQ-XHDPSFHLSA-N 1 1 310.325 2.113 20 5 DEBDMO COC(=O)[C@@]1(F)CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254550859 1143245727 /nfs/dbraw/zinc/24/57/27/1143245727.db2.gz SPTQDMNHHWITAQ-XHDPSFHLSA-N 1 1 310.325 2.113 20 5 DEBDMO COC(=O)[C@]1(F)CC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254550858 1143246388 /nfs/dbraw/zinc/24/63/88/1143246388.db2.gz SPTQDMNHHWITAQ-NHYWBVRUSA-N 1 1 310.325 2.113 20 5 DEBDMO COC(=O)[C@]1(F)CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254550858 1143246398 /nfs/dbraw/zinc/24/63/98/1143246398.db2.gz SPTQDMNHHWITAQ-NHYWBVRUSA-N 1 1 310.325 2.113 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001254553038 1143246643 /nfs/dbraw/zinc/24/66/43/1143246643.db2.gz QWMWJPFCSHUCRX-WCQYABFASA-N 1 1 314.332 2.475 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCOC2(CCOCC2)C1 ZINC001254568273 1143252507 /nfs/dbraw/zinc/25/25/07/1143252507.db2.gz YPZPZNBFSHUXFV-CQSZACIVSA-N 1 1 320.389 2.407 20 5 DEBDMO CC[N@@H+]1C[C@H]2CN([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001254569185 1143255878 /nfs/dbraw/zinc/25/58/78/1143255878.db2.gz IXYUOKGIIBUYGS-CWRNSKLLSA-N 1 1 303.406 2.409 20 5 DEBDMO CC[N@@H+](CCCC(=O)OC)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600212 1143273902 /nfs/dbraw/zinc/27/39/02/1143273902.db2.gz QRJGIQWAVXUZCR-HNNXBMFYSA-N 1 1 306.362 2.337 20 5 DEBDMO Cc1noc([C@@H]2CC[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254608016 1143280090 /nfs/dbraw/zinc/28/00/90/1143280090.db2.gz OLCXAGJDXZVFDM-DOMZBBRYSA-N 1 1 314.345 2.243 20 5 DEBDMO CC[N@H+]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C(C)(C)C1 ZINC001254606279 1143280789 /nfs/dbraw/zinc/28/07/89/1143280789.db2.gz GETULTCIYXYHCU-INIZCTEOSA-N 1 1 303.406 2.478 20 5 DEBDMO CCN1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C(C)(C)C1 ZINC001254606279 1143280811 /nfs/dbraw/zinc/28/08/11/1143280811.db2.gz GETULTCIYXYHCU-INIZCTEOSA-N 1 1 303.406 2.478 20 5 DEBDMO CCN1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C(C)(C)C1 ZINC001254606279 1143280822 /nfs/dbraw/zinc/28/08/22/1143280822.db2.gz GETULTCIYXYHCU-INIZCTEOSA-N 1 1 303.406 2.478 20 5 DEBDMO CC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612791 1143283340 /nfs/dbraw/zinc/28/33/40/1143283340.db2.gz ZAOLRAMVKCNLEG-IAGOWNOFSA-N 1 1 317.389 2.005 20 5 DEBDMO O=[N+]([O-])CC[NH2+]Cc1cc2cccnc2cc1Br ZINC001262559234 1144318552 /nfs/dbraw/zinc/31/85/52/1144318552.db2.gz FSYOTWKGXJCJIH-UHFFFAOYSA-N 1 1 310.151 2.364 20 5 DEBDMO COc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001263629023 1144385769 /nfs/dbraw/zinc/38/57/69/1144385769.db2.gz PFAPTNLLSGTHLN-NSHDSACASA-N 1 1 324.381 2.454 20 5 DEBDMO O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)C12CCC[NH+]1CCC2 ZINC001264330236 1144511639 /nfs/dbraw/zinc/51/16/39/1144511639.db2.gz ABAGHBYBMUEKLK-UHFFFAOYSA-N 1 1 311.288 2.440 20 5 DEBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)[N@H+]1CCCC[C@H]1C ZINC001290955709 1146844006 /nfs/dbraw/zinc/84/40/06/1146844006.db2.gz VWIPMNPYUJORAS-NEPJUHHUSA-N 1 1 320.393 2.170 20 5 DEBDMO C/C(=C/C(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001492206064 1147147279 /nfs/dbraw/zinc/14/72/79/1147147279.db2.gz KFUNVFRHUAZBOJ-QBFSEMIESA-N 1 1 317.389 2.499 20 5 DEBDMO C/C(=C/C(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001492206064 1147147289 /nfs/dbraw/zinc/14/72/89/1147147289.db2.gz KFUNVFRHUAZBOJ-QBFSEMIESA-N 1 1 317.389 2.499 20 5 DEBDMO C[C@H](CNc1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC001306951813 1147395630 /nfs/dbraw/zinc/39/56/30/1147395630.db2.gz SNPLBYLDSOIZFQ-SNVBAGLBSA-N 1 1 321.406 2.249 20 5 DEBDMO C[C@H](CNc1nn(C)cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC001306951813 1147395635 /nfs/dbraw/zinc/39/56/35/1147395635.db2.gz SNPLBYLDSOIZFQ-SNVBAGLBSA-N 1 1 321.406 2.249 20 5 DEBDMO CC[N@H+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000613383022 362097567 /nfs/dbraw/zinc/09/75/67/362097567.db2.gz HNEKEURCFAISJV-NSHDSACASA-N 1 1 311.357 2.269 20 5 DEBDMO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092705360 185334656 /nfs/dbraw/zinc/33/46/56/185334656.db2.gz LCCTZCZRNYXBPW-CQSZACIVSA-N 1 1 305.378 2.394 20 5 DEBDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092705360 185334657 /nfs/dbraw/zinc/33/46/57/185334657.db2.gz LCCTZCZRNYXBPW-CQSZACIVSA-N 1 1 305.378 2.394 20 5 DEBDMO C[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000185234702 282260947 /nfs/dbraw/zinc/26/09/47/282260947.db2.gz LEJKYQQABRTFQJ-WCQYABFASA-N 1 1 321.352 2.144 20 5 DEBDMO COC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000181573576 199320263 /nfs/dbraw/zinc/32/02/63/199320263.db2.gz ZJLWUDPWEWEYOB-ZDUSSCGKSA-N 1 1 318.333 2.159 20 5 DEBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272781720 210185318 /nfs/dbraw/zinc/18/53/18/210185318.db2.gz RYOOKBADUSUMDF-VXGBXAGGSA-N 1 1 320.393 2.306 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293060436 530065082 /nfs/dbraw/zinc/06/50/82/530065082.db2.gz UQSLAGMIDZLQTC-KRWDZBQOSA-N 1 1 319.405 2.391 20 5 DEBDMO CN1CCC[C@]2(CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293060436 530065087 /nfs/dbraw/zinc/06/50/87/530065087.db2.gz UQSLAGMIDZLQTC-KRWDZBQOSA-N 1 1 319.405 2.391 20 5 DEBDMO CN1CCC[C@]2(CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293060436 530065088 /nfs/dbraw/zinc/06/50/88/530065088.db2.gz UQSLAGMIDZLQTC-KRWDZBQOSA-N 1 1 319.405 2.391 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930527 530059426 /nfs/dbraw/zinc/05/94/26/530059426.db2.gz IXDNUOFWNQREFL-IAGOWNOFSA-N 1 1 319.405 2.046 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])cc1OC ZINC000279749086 215112501 /nfs/dbraw/zinc/11/25/01/215112501.db2.gz YLMUUULSLCBAKH-MRXNPFEDSA-N 1 1 324.377 2.349 20 5 DEBDMO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279792038 215151394 /nfs/dbraw/zinc/15/13/94/215151394.db2.gz OKPGTEYTFRKZIP-QWHCGFSZSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279792038 215151398 /nfs/dbraw/zinc/15/13/98/215151398.db2.gz OKPGTEYTFRKZIP-QWHCGFSZSA-N 1 1 321.377 2.159 20 5 DEBDMO CCOC1CC([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000287000668 219264117 /nfs/dbraw/zinc/26/41/17/219264117.db2.gz QANNQCZLJJFEQM-UHFFFAOYSA-N 1 1 307.350 2.033 20 5 DEBDMO CCOC1CC([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000287000668 219264120 /nfs/dbraw/zinc/26/41/20/219264120.db2.gz QANNQCZLJJFEQM-UHFFFAOYSA-N 1 1 307.350 2.033 20 5 DEBDMO COC(=O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255637742 282655246 /nfs/dbraw/zinc/65/52/46/282655246.db2.gz QKANJAPVAHJMSC-XQRVVYSFSA-N 1 1 304.346 2.493 20 5 DEBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181909105 186218096 /nfs/dbraw/zinc/21/80/96/186218096.db2.gz ACDPJAPNCJYDPU-MJBXVCDLSA-N 1 1 308.378 2.455 20 5 DEBDMO CC[C@H](C)C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000171949068 198013383 /nfs/dbraw/zinc/01/33/83/198013383.db2.gz VHPSEUOHXVLJNF-LBPRGKRZSA-N 1 1 305.378 2.462 20 5 DEBDMO C[C@]1(O)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000280098436 215374862 /nfs/dbraw/zinc/37/48/62/215374862.db2.gz OYXHXOUTNRVLJR-HNNXBMFYSA-N 1 1 305.334 2.473 20 5 DEBDMO Cc1noc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000595505488 358468980 /nfs/dbraw/zinc/46/89/80/358468980.db2.gz SDCWZIZLZRHGKC-LBPRGKRZSA-N 1 1 319.365 2.250 20 5 DEBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000173589478 198231074 /nfs/dbraw/zinc/23/10/74/198231074.db2.gz BUJBFIZTWZIQBU-AWEZNQCLSA-N 1 1 324.377 2.483 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000173783525 198251567 /nfs/dbraw/zinc/25/15/67/198251567.db2.gz NJEZGFHFICHLEF-NSHDSACASA-N 1 1 312.391 2.420 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000174647827 198364334 /nfs/dbraw/zinc/36/43/34/198364334.db2.gz HGGGNJWUYRGLSN-UHFFFAOYSA-N 1 1 309.366 2.065 20 5 DEBDMO CC[N@@H+](CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000617718542 363230501 /nfs/dbraw/zinc/23/05/01/363230501.db2.gz OTAUYJFPXPBXSZ-GFCCVEGCSA-N 1 1 305.378 2.299 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CN3CCOCC3)CC2)cc1 ZINC000051958527 354391582 /nfs/dbraw/zinc/39/15/82/354391582.db2.gz YVHSNOFMARXPSK-UHFFFAOYSA-N 1 1 319.405 2.139 20 5 DEBDMO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCOC1 ZINC000052072121 354392959 /nfs/dbraw/zinc/39/29/59/354392959.db2.gz RNIRAOJVSKJLIN-GFCCVEGCSA-N 1 1 322.361 2.320 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000052293554 354400036 /nfs/dbraw/zinc/40/00/36/354400036.db2.gz ZOLSWJJLGRERIE-LLVKDONJSA-N 1 1 317.349 2.160 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000065674424 354687239 /nfs/dbraw/zinc/68/72/39/354687239.db2.gz ZCOOZKGLZPLYAU-STQMWFEESA-N 1 1 305.378 2.445 20 5 DEBDMO CCO[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000076403932 355146861 /nfs/dbraw/zinc/14/68/61/355146861.db2.gz QUXKASFLDPCWKU-HNNXBMFYSA-N 1 1 321.377 2.424 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000078022664 355240617 /nfs/dbraw/zinc/24/06/17/355240617.db2.gz PSVNIMFRIQHMSU-AWEZNQCLSA-N 1 1 308.338 2.279 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])c(CC)nn2C)C1 ZINC000092830446 355653157 /nfs/dbraw/zinc/65/31/57/355653157.db2.gz BINYNPMHUPMLLK-LBPRGKRZSA-N 1 1 309.414 2.059 20 5 DEBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093596924 355685244 /nfs/dbraw/zinc/68/52/44/355685244.db2.gz UTDWEKXKBUMEDE-ZDUSSCGKSA-N 1 1 305.378 2.218 20 5 DEBDMO COCCO[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000179368760 356023484 /nfs/dbraw/zinc/02/34/84/356023484.db2.gz TXFMETFOCAXGFD-CQSZACIVSA-N 1 1 324.377 2.101 20 5 DEBDMO COCCO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000179356694 356023518 /nfs/dbraw/zinc/02/35/18/356023518.db2.gz YJRWUQBOWGMYGG-OAHLLOKOSA-N 1 1 324.377 2.231 20 5 DEBDMO COCCO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000179356694 356023520 /nfs/dbraw/zinc/02/35/20/356023520.db2.gz YJRWUQBOWGMYGG-OAHLLOKOSA-N 1 1 324.377 2.231 20 5 DEBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000182621624 356134904 /nfs/dbraw/zinc/13/49/04/356134904.db2.gz QNYVJTMDFCNADB-LLVKDONJSA-N 1 1 310.350 2.377 20 5 DEBDMO CCOc1cc(C[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000280495676 356364620 /nfs/dbraw/zinc/36/46/20/356364620.db2.gz BQBHLHAUJBFMJZ-DGCLKSJQSA-N 1 1 322.361 2.234 20 5 DEBDMO Cc1cc(Cc2noc([C@H]3CC[N@H+](C)C3)n2)ccc1[N+](=O)[O-] ZINC000350159969 356509960 /nfs/dbraw/zinc/50/99/60/356509960.db2.gz GVQJTFQNTROVRF-LBPRGKRZSA-N 1 1 302.334 2.296 20 5 DEBDMO CCOc1cc(C[N@H+]2CC[C@](C)(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000276932881 213186556 /nfs/dbraw/zinc/18/65/56/213186556.db2.gz RBYFMNXMGZWIFF-INIZCTEOSA-N 1 1 322.361 2.379 20 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ZINC000593187413 358028892 /nfs/dbraw/zinc/02/88/92/358028892.db2.gz KEIFTLQOUGCMEL-RAIGVLPGSA-N 1 1 305.378 2.456 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000593187016 358029504 /nfs/dbraw/zinc/02/95/04/358029504.db2.gz CRFDYZQXHSQCLP-UTUOFQBUSA-N 1 1 321.377 2.157 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594203879 358223601 /nfs/dbraw/zinc/22/36/01/358223601.db2.gz VGISQHJLZOYPMH-CABCVRRESA-N 1 1 303.362 2.342 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595748174 358539918 /nfs/dbraw/zinc/53/99/18/358539918.db2.gz XRTPCIXBMOYAGV-UHFFFAOYSA-N 1 1 319.361 2.202 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000595785611 358548970 /nfs/dbraw/zinc/54/89/70/358548970.db2.gz FSTMUCJSUQFWCQ-HIFRSBDPSA-N 1 1 308.382 2.072 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@]1(C)CO ZINC000595870530 358568199 /nfs/dbraw/zinc/56/81/99/358568199.db2.gz HGJJXXRFBLKUTL-BMIGLBTASA-N 1 1 305.334 2.186 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595703600 358528254 /nfs/dbraw/zinc/52/82/54/358528254.db2.gz UQIDVHBUGIHGIR-ZIAGYGMSSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596081604 358606124 /nfs/dbraw/zinc/60/61/24/358606124.db2.gz IBUIDLNVQMFUCL-XQQFMLRXSA-N 1 1 319.409 2.414 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000598342289 359169162 /nfs/dbraw/zinc/16/91/62/359169162.db2.gz LSHFZZFKRWCTKA-NSHDSACASA-N 1 1 316.361 2.290 20 5 DEBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000599175472 359425858 /nfs/dbraw/zinc/42/58/58/359425858.db2.gz CKLWSLSQQNASPV-SNVBAGLBSA-N 1 1 319.283 2.092 20 5 DEBDMO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCO1 ZINC000619060393 363690138 /nfs/dbraw/zinc/69/01/38/363690138.db2.gz AQTFPDOUEKSKEQ-OLZOCXBDSA-N 1 1 321.333 2.020 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCOC[C@H]3CCCO3)c2c1 ZINC000601116015 359927267 /nfs/dbraw/zinc/92/72/67/359927267.db2.gz GQVNQJHRKOZUKQ-CYBMUJFWSA-N 1 1 317.345 2.172 20 5 DEBDMO C[C@H]1C[C@H](Nc2ccnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000601118299 359927509 /nfs/dbraw/zinc/92/75/09/359927509.db2.gz CETLDPVMAHSSFB-NWDGAFQWSA-N 1 1 300.362 2.460 20 5 DEBDMO CC(C)COC[C@@H](O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601105297 359921917 /nfs/dbraw/zinc/92/19/17/359921917.db2.gz YLQDACUQUAZDBY-ZDUSSCGKSA-N 1 1 319.361 2.010 20 5 DEBDMO C[C@@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C(=O)NC(C)(C)C ZINC000601108842 359923365 /nfs/dbraw/zinc/92/33/65/359923365.db2.gz PZKVDZDNSRLETP-SNVBAGLBSA-N 1 1 316.361 2.280 20 5 DEBDMO C[C@@](O)(CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000601136056 359936573 /nfs/dbraw/zinc/93/65/73/359936573.db2.gz MWOYEKWPDLLZAL-GFCCVEGCSA-N 1 1 315.251 2.290 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H](n4cncn4)C3)c2c1 ZINC000601147362 359941908 /nfs/dbraw/zinc/94/19/08/359941908.db2.gz LROCXVWAHRZCDM-GFCCVEGCSA-N 1 1 310.317 2.186 20 5 DEBDMO COCCO[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000188823426 200308089 /nfs/dbraw/zinc/30/80/89/200308089.db2.gz ZUYWMOUUVAZKJP-CSPWOOARSA-N 1 1 306.362 2.345 20 5 DEBDMO COc1cc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000601159963 359947111 /nfs/dbraw/zinc/94/71/11/359947111.db2.gz OQUQZUFEBXBTPS-HTQZYQBOSA-N 1 1 306.240 2.349 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1(c2ccccc2)CC1 ZINC000189326026 200382106 /nfs/dbraw/zinc/38/21/06/200382106.db2.gz QHJUHDVOMVAUAG-UHFFFAOYSA-N 1 1 300.362 2.455 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CCn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000601914149 360189794 /nfs/dbraw/zinc/18/97/94/360189794.db2.gz UZXLJNPWHSFRTE-MNOVXSKESA-N 1 1 303.366 2.367 20 5 DEBDMO C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000602157009 360290786 /nfs/dbraw/zinc/29/07/86/360290786.db2.gz AXZXQKMYIKAELE-AWEZNQCLSA-N 1 1 305.378 2.430 20 5 DEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000602302421 360334723 /nfs/dbraw/zinc/33/47/23/360334723.db2.gz YBTBYHRNQQBSNQ-MNOVXSKESA-N 1 1 309.341 2.289 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000602302421 360334727 /nfs/dbraw/zinc/33/47/27/360334727.db2.gz YBTBYHRNQQBSNQ-MNOVXSKESA-N 1 1 309.341 2.289 20 5 DEBDMO CC[C@](C)(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602476211 360395139 /nfs/dbraw/zinc/39/51/39/360395139.db2.gz WNFCLGIQNJAPHA-SWLSCSKDSA-N 1 1 308.382 2.291 20 5 DEBDMO CC[N@H+]1CC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602521298 360416081 /nfs/dbraw/zinc/41/60/81/360416081.db2.gz PBNUUHZZBWIRQZ-LLVKDONJSA-N 1 1 304.350 2.167 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCOCC(F)F)nc2c1 ZINC000602632258 360468331 /nfs/dbraw/zinc/46/83/31/360468331.db2.gz RURSJUNTDIFWKM-UHFFFAOYSA-N 1 1 301.249 2.107 20 5 DEBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602692439 360500911 /nfs/dbraw/zinc/50/09/11/360500911.db2.gz HWAJCZJEFDGTTG-MNOVXSKESA-N 1 1 305.334 2.329 20 5 DEBDMO O=C1N[C@H]2CC[N@H+](CC=Cc3ccccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000281255562 216190107 /nfs/dbraw/zinc/19/01/07/216190107.db2.gz MWDDCVYNEMCTID-JRFBKZHLSA-N 1 1 317.345 2.038 20 5 DEBDMO CC[C@@]1(O)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000602983601 360655493 /nfs/dbraw/zinc/65/54/93/360655493.db2.gz NYRVTYZTFKGQLT-BLLLJJGKSA-N 1 1 321.377 2.159 20 5 DEBDMO CC[C@@]1(O)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000602983601 360655498 /nfs/dbraw/zinc/65/54/98/360655498.db2.gz NYRVTYZTFKGQLT-BLLLJJGKSA-N 1 1 321.377 2.159 20 5 DEBDMO CN(CCC[N@@H+](C)Cc1ccncc1)c1ncc([N+](=O)[O-])s1 ZINC000603398492 360817236 /nfs/dbraw/zinc/81/72/36/360817236.db2.gz AEAJAZTWMQGENU-UHFFFAOYSA-N 1 1 321.406 2.405 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000609599057 361326352 /nfs/dbraw/zinc/32/63/52/361326352.db2.gz GGIYLXHNXKUJDN-MRXNPFEDSA-N 1 1 319.405 2.328 20 5 DEBDMO COC[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610605313 361430100 /nfs/dbraw/zinc/43/01/00/361430100.db2.gz XIBPZAUUNDXDBM-CYBMUJFWSA-N 1 1 308.334 2.072 20 5 DEBDMO COC[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610605313 361430104 /nfs/dbraw/zinc/43/01/04/361430104.db2.gz XIBPZAUUNDXDBM-CYBMUJFWSA-N 1 1 308.334 2.072 20 5 DEBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000193887497 201138977 /nfs/dbraw/zinc/13/89/77/201138977.db2.gz XXBOYDVZYLFWQR-LLVKDONJSA-N 1 1 309.322 2.361 20 5 DEBDMO O=c1ccccn1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000610865009 361481094 /nfs/dbraw/zinc/48/10/94/361481094.db2.gz GHYSDSJWOBWJGD-UHFFFAOYSA-N 1 1 313.357 2.421 20 5 DEBDMO C[N@@H+](CCCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000281499265 216345720 /nfs/dbraw/zinc/34/57/20/216345720.db2.gz ATPHCJLLPVGVTE-UHFFFAOYSA-N 1 1 305.334 2.107 20 5 DEBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000194062613 201171766 /nfs/dbraw/zinc/17/17/66/201171766.db2.gz CBGMZPWSUREQGP-FZMZJTMJSA-N 1 1 309.322 2.096 20 5 DEBDMO CC[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611087898 361526119 /nfs/dbraw/zinc/52/61/19/361526119.db2.gz QRKJTCYMMQNREY-ZDUSSCGKSA-N 1 1 305.378 2.080 20 5 DEBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCCCO1 ZINC000611264786 361564584 /nfs/dbraw/zinc/56/45/84/361564584.db2.gz ACTAHFCSQVLHPA-CYBMUJFWSA-N 1 1 322.361 2.367 20 5 DEBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCCCO1 ZINC000611264786 361564589 /nfs/dbraw/zinc/56/45/89/361564589.db2.gz ACTAHFCSQVLHPA-CYBMUJFWSA-N 1 1 322.361 2.367 20 5 DEBDMO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)N1CCCC1 ZINC000611395664 361591116 /nfs/dbraw/zinc/59/11/16/361591116.db2.gz RKXLVEVXQBLJGM-HNNXBMFYSA-N 1 1 323.368 2.471 20 5 DEBDMO C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000611414304 361595796 /nfs/dbraw/zinc/59/57/96/361595796.db2.gz QZIIWCMKGJPOAZ-QWHCGFSZSA-N 1 1 324.450 2.119 20 5 DEBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611568403 361634847 /nfs/dbraw/zinc/63/48/47/361634847.db2.gz PPCWMKDCOAGWAY-RYUDHWBXSA-N 1 1 320.393 2.306 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000611568514 361635301 /nfs/dbraw/zinc/63/53/01/361635301.db2.gz RFRQWFAJJZFRRO-CQSZACIVSA-N 1 1 303.366 2.275 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000275485773 212365331 /nfs/dbraw/zinc/36/53/31/212365331.db2.gz FHUSFJZDBOAEII-ZIAGYGMSSA-N 1 1 321.421 2.433 20 5 DEBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccncc3F)CC2)n1 ZINC000449287100 240308550 /nfs/dbraw/zinc/30/85/50/240308550.db2.gz JIBUPWXELLLBMW-UHFFFAOYSA-N 1 1 305.313 2.163 20 5 DEBDMO CC(=O)c1ccc(NC[C@H]2CCC[N@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450600919 241999438 /nfs/dbraw/zinc/99/94/38/241999438.db2.gz XCCRFGBFGOGOMK-CQSZACIVSA-N 1 1 321.377 2.056 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451657392 243273821 /nfs/dbraw/zinc/27/38/21/243273821.db2.gz YPQSTBDLVPTGBZ-HZSPNIEDSA-N 1 1 307.394 2.043 20 5 DEBDMO Cc1cccnc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093193622 193213252 /nfs/dbraw/zinc/21/32/52/193213252.db2.gz LISLJAKLTYBUKO-CYBMUJFWSA-N 1 1 313.361 2.380 20 5 DEBDMO CNC(=O)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093360582 193238992 /nfs/dbraw/zinc/23/89/92/193238992.db2.gz IEHOUVPNZIYJAV-GBXSZLQWSA-N 1 1 303.362 2.066 20 5 DEBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000264652456 204054173 /nfs/dbraw/zinc/05/41/73/204054173.db2.gz QVBBWJVYXGVDMG-OQHXTRMZSA-N 1 1 315.373 2.209 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000288231679 220032180 /nfs/dbraw/zinc/03/21/80/220032180.db2.gz DHCWZEUIFMUDEF-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000288231679 220032182 /nfs/dbraw/zinc/03/21/82/220032182.db2.gz DHCWZEUIFMUDEF-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CCc1cc(=O)[nH]c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282506608 217048407 /nfs/dbraw/zinc/04/84/07/217048407.db2.gz RMNCDUYDYLYQHK-UHFFFAOYSA-N 1 1 316.361 2.327 20 5 DEBDMO CCc1cc(=O)[nH]c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282506608 217048409 /nfs/dbraw/zinc/04/84/09/217048409.db2.gz RMNCDUYDYLYQHK-UHFFFAOYSA-N 1 1 316.361 2.327 20 5 DEBDMO COC1(C)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000271689408 209127783 /nfs/dbraw/zinc/12/77/83/209127783.db2.gz DYKKQMKLKYIQFA-LBPRGKRZSA-N 1 1 321.377 2.423 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000266114356 205108422 /nfs/dbraw/zinc/10/84/22/205108422.db2.gz UWPLUNUPLOJYBK-UHFFFAOYSA-N 1 1 302.334 2.228 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000458177298 248184785 /nfs/dbraw/zinc/18/47/85/248184785.db2.gz VJYRVNAGRYGMAF-NSHDSACASA-N 1 1 309.341 2.196 20 5 DEBDMO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000492264129 249026378 /nfs/dbraw/zinc/02/63/78/249026378.db2.gz VNSURIRVBDKBJL-MPBQIQEOSA-N 1 1 303.362 2.159 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492280958 249030704 /nfs/dbraw/zinc/03/07/04/249030704.db2.gz AQCMWWRLDYZGJB-WUOSCTTQSA-N 1 1 303.362 2.159 20 5 DEBDMO CNC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000492419978 249060574 /nfs/dbraw/zinc/06/05/74/249060574.db2.gz WWGNZZYFKBXRII-JTQLQIEISA-N 1 1 303.318 2.079 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493089182 249217658 /nfs/dbraw/zinc/21/76/58/249217658.db2.gz VYKBPNKLUKOKCN-CMUBDUJZSA-N 1 1 303.362 2.161 20 5 DEBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000104766599 194036406 /nfs/dbraw/zinc/03/64/06/194036406.db2.gz QJOMTBSRPODERK-VIFPVBQESA-N 1 1 312.757 2.321 20 5 DEBDMO COc1ccc(OCC[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000159447710 197354479 /nfs/dbraw/zinc/35/44/79/197354479.db2.gz AOIUODIZXHSWCE-WFASDCNBSA-N 1 1 324.377 2.075 20 5 DEBDMO C[C@@H](O)C[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000159444633 197353932 /nfs/dbraw/zinc/35/39/32/197353932.db2.gz YTRVSEGVTVSHEW-ZJUUUORDSA-N 1 1 306.322 2.018 20 5 DEBDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000159444633 197353934 /nfs/dbraw/zinc/35/39/34/197353934.db2.gz YTRVSEGVTVSHEW-ZJUUUORDSA-N 1 1 306.322 2.018 20 5 DEBDMO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269219880 207340535 /nfs/dbraw/zinc/34/05/35/207340535.db2.gz ZXMYKBWHSKARIP-NWDGAFQWSA-N 1 1 321.377 2.151 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269219880 207340540 /nfs/dbraw/zinc/34/05/40/207340540.db2.gz ZXMYKBWHSKARIP-NWDGAFQWSA-N 1 1 321.377 2.151 20 5 DEBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000273011297 210389962 /nfs/dbraw/zinc/38/99/62/210389962.db2.gz JHPVKDUTQBNUCG-UHFFFAOYSA-N 1 1 314.407 2.346 20 5 DEBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000273011297 210389967 /nfs/dbraw/zinc/38/99/67/210389967.db2.gz JHPVKDUTQBNUCG-UHFFFAOYSA-N 1 1 314.407 2.346 20 5 DEBDMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000540173288 285111500 /nfs/dbraw/zinc/11/15/00/285111500.db2.gz CCXLFGQWGWZZPM-DVOMOZLQSA-N 1 1 307.394 2.292 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000540173288 285111502 /nfs/dbraw/zinc/11/15/02/285111502.db2.gz CCXLFGQWGWZZPM-DVOMOZLQSA-N 1 1 307.394 2.292 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000540173288 285111504 /nfs/dbraw/zinc/11/15/04/285111504.db2.gz CCXLFGQWGWZZPM-DVOMOZLQSA-N 1 1 307.394 2.292 20 5 DEBDMO Cc1cc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000272933770 210319753 /nfs/dbraw/zinc/31/97/53/210319753.db2.gz LGLGNYVSGBUONC-LBPRGKRZSA-N 1 1 303.362 2.283 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000154930506 197005999 /nfs/dbraw/zinc/00/59/99/197005999.db2.gz CMVVOPIXNTYFHW-OCCSQVGLSA-N 1 1 303.362 2.151 20 5 DEBDMO COC[C@]1(C)CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000295038080 224396012 /nfs/dbraw/zinc/39/60/12/224396012.db2.gz DSPQNGXFPCDSLX-MRXNPFEDSA-N 1 1 324.377 2.470 20 5 DEBDMO C[C@]1(c2ccccc2)C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000121613021 195317260 /nfs/dbraw/zinc/31/72/60/195317260.db2.gz ANSBFTRJSCENHC-MRXNPFEDSA-N 1 1 316.361 2.039 20 5 DEBDMO C[C@]1(c2ccccc2)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000121613021 195317262 /nfs/dbraw/zinc/31/72/62/195317262.db2.gz ANSBFTRJSCENHC-MRXNPFEDSA-N 1 1 316.361 2.039 20 5 DEBDMO C[C@H](NC(=O)NCC1=CC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297486600 533636579 /nfs/dbraw/zinc/63/65/79/533636579.db2.gz FHXMRELSFMFPHF-LBPRGKRZSA-N 1 1 318.377 2.217 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355366327 133021497 /nfs/dbraw/zinc/02/14/97/133021497.db2.gz NIUNOIHEKIDAIL-UHFFFAOYSA-N 1 1 314.345 2.068 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000355682395 133041952 /nfs/dbraw/zinc/04/19/52/133041952.db2.gz OQGKKRSEUZPEOC-RCLKMUNOSA-N 1 1 303.362 2.195 20 5 DEBDMO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000359803462 133146139 /nfs/dbraw/zinc/14/61/39/133146139.db2.gz WEMYTFWVTOYUFZ-NSHDSACASA-N 1 1 309.366 2.151 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000359803462 133146140 /nfs/dbraw/zinc/14/61/40/133146140.db2.gz WEMYTFWVTOYUFZ-NSHDSACASA-N 1 1 309.366 2.151 20 5 DEBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1(CO)CCOCC1 ZINC000191001820 145051796 /nfs/dbraw/zinc/05/17/96/145051796.db2.gz DFGKODORPDQPAQ-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000247497651 145139061 /nfs/dbraw/zinc/13/90/61/145139061.db2.gz XIEFNIIKXJRURZ-HZPDHXFCSA-N 1 1 306.362 2.017 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000247497651 145139062 /nfs/dbraw/zinc/13/90/62/145139062.db2.gz XIEFNIIKXJRURZ-HZPDHXFCSA-N 1 1 306.362 2.017 20 5 DEBDMO C[N@@H+]1CCC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247922506 145144871 /nfs/dbraw/zinc/14/48/71/145144871.db2.gz BIJDQZAUICEYQO-RHSMWYFYSA-N 1 1 319.405 2.390 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247922506 145144873 /nfs/dbraw/zinc/14/48/73/145144873.db2.gz BIJDQZAUICEYQO-RHSMWYFYSA-N 1 1 319.405 2.390 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000248164082 145149579 /nfs/dbraw/zinc/14/95/79/145149579.db2.gz SPWCSOPLKQBIKU-SMDDNHRTSA-N 1 1 321.352 2.290 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000249102593 145178814 /nfs/dbraw/zinc/17/88/14/145178814.db2.gz PTRGOLFNRYKZHJ-SWLSCSKDSA-N 1 1 306.362 2.268 20 5 DEBDMO CNc1c(C(=O)NCC[N@@H+](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000322262150 145378525 /nfs/dbraw/zinc/37/85/25/145378525.db2.gz PPEWQPKKUCRPRC-UHFFFAOYSA-N 1 1 320.393 2.241 20 5 DEBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346280320 146053523 /nfs/dbraw/zinc/05/35/23/146053523.db2.gz VQDDYQJKMRRSRJ-XEZPLFJOSA-N 1 1 317.389 2.397 20 5 DEBDMO [NH3+]CCCOC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000346693713 146125795 /nfs/dbraw/zinc/12/57/95/146125795.db2.gz PCZXCOLIFLKMPQ-UTCJRWHESA-N 1 1 319.405 2.438 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1COC[C@H]1O ZINC000348651595 146295598 /nfs/dbraw/zinc/29/55/98/146295598.db2.gz URIHZZZJFKEPQD-LSDHHAIUSA-N 1 1 318.329 2.046 20 5 DEBDMO COc1c(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000357162449 147054189 /nfs/dbraw/zinc/05/41/89/147054189.db2.gz VBYHZCMTZWQGOZ-AWEZNQCLSA-N 1 1 321.377 2.016 20 5 DEBDMO CCC[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358253983 147101925 /nfs/dbraw/zinc/10/19/25/147101925.db2.gz PICYVGXMECJQCT-HZPDHXFCSA-N 1 1 307.394 2.092 20 5 DEBDMO CCC[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358253983 147101927 /nfs/dbraw/zinc/10/19/27/147101927.db2.gz PICYVGXMECJQCT-HZPDHXFCSA-N 1 1 307.394 2.092 20 5 DEBDMO C[N@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000358308409 147110863 /nfs/dbraw/zinc/11/08/63/147110863.db2.gz OULKOXPRZAAUMD-GFCCVEGCSA-N 1 1 319.283 2.092 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000358309250 147111244 /nfs/dbraw/zinc/11/12/44/147111244.db2.gz PNHVVSYPXVZENO-GFCCVEGCSA-N 1 1 323.393 2.454 20 5 DEBDMO Cc1c(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000358927257 147232271 /nfs/dbraw/zinc/23/22/71/147232271.db2.gz GMXOKBBDYDSVPI-RISCZKNCSA-N 1 1 320.393 2.185 20 5 DEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000359374862 147317365 /nfs/dbraw/zinc/31/73/65/147317365.db2.gz YNVCHMNDMNGTAR-DZGCQCFKSA-N 1 1 319.405 2.469 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000371309701 148087040 /nfs/dbraw/zinc/08/70/40/148087040.db2.gz ZJIPUJMVKVELEU-LBPRGKRZSA-N 1 1 319.361 2.274 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000371309701 148087043 /nfs/dbraw/zinc/08/70/43/148087043.db2.gz ZJIPUJMVKVELEU-LBPRGKRZSA-N 1 1 319.361 2.274 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000374349800 148234806 /nfs/dbraw/zinc/23/48/06/148234806.db2.gz IOUAEMCFDINLNR-GFCCVEGCSA-N 1 1 321.377 2.200 20 5 DEBDMO COc1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000127356158 401730482 /nfs/dbraw/zinc/73/04/82/401730482.db2.gz UZYNMICTJIVJRU-ZDUSSCGKSA-N 1 1 305.378 2.177 20 5 DEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111275775 401706925 /nfs/dbraw/zinc/70/69/25/401706925.db2.gz UAMZTGBEFGZTHP-STQMWFEESA-N 1 1 321.377 2.423 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000078596950 401857185 /nfs/dbraw/zinc/85/71/85/401857185.db2.gz RXCOIZMOYULXGJ-CMDGGOBGSA-N 1 1 303.362 2.162 20 5 DEBDMO COCC[N@@H+]1[C@H](C)CN(c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000131870689 401858294 /nfs/dbraw/zinc/85/82/94/401858294.db2.gz SFJKWVOCDPNYSI-OKILXGFUSA-N 1 1 307.394 2.449 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000119223833 401934230 /nfs/dbraw/zinc/93/42/30/401934230.db2.gz UIXDTYJANWBLKH-CYBMUJFWSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000119223833 401934232 /nfs/dbraw/zinc/93/42/32/401934232.db2.gz UIXDTYJANWBLKH-CYBMUJFWSA-N 1 1 321.377 2.077 20 5 DEBDMO CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135336862 401936774 /nfs/dbraw/zinc/93/67/74/401936774.db2.gz GVYUJHKMLYGCDF-AEGPPILISA-N 1 1 310.398 2.053 20 5 DEBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2o1 ZINC000120164283 401980360 /nfs/dbraw/zinc/98/03/60/401980360.db2.gz JYQVMFLVQHWIQU-UHFFFAOYSA-N 1 1 301.306 2.065 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2o1 ZINC000120164283 401980361 /nfs/dbraw/zinc/98/03/61/401980361.db2.gz JYQVMFLVQHWIQU-UHFFFAOYSA-N 1 1 301.306 2.065 20 5 DEBDMO O=C(NC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1)C1CC1 ZINC000047860545 401989872 /nfs/dbraw/zinc/98/98/72/401989872.db2.gz SAXATJKGQGOCFE-UHFFFAOYSA-N 1 1 321.352 2.225 20 5 DEBDMO CC1CC[NH+](CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000089205088 401938677 /nfs/dbraw/zinc/93/86/77/401938677.db2.gz OSPZRFBTFZJIMP-UHFFFAOYSA-N 1 1 317.349 2.142 20 5 DEBDMO CSCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000151149214 402019214 /nfs/dbraw/zinc/01/92/14/402019214.db2.gz FATCCYNHKODIKP-UHFFFAOYSA-N 1 1 308.363 2.440 20 5 DEBDMO CSCC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000151149214 402019217 /nfs/dbraw/zinc/01/92/17/402019217.db2.gz FATCCYNHKODIKP-UHFFFAOYSA-N 1 1 308.363 2.440 20 5 DEBDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000053753414 402059320 /nfs/dbraw/zinc/05/93/20/402059320.db2.gz NGWJZNWWNFGNFB-GFCCVEGCSA-N 1 1 306.366 2.448 20 5 DEBDMO CCOC(=O)C1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000051159233 402031930 /nfs/dbraw/zinc/03/19/30/402031930.db2.gz XXYFVQALVDPFNR-UHFFFAOYSA-N 1 1 322.361 2.379 20 5 DEBDMO CC(C)c1[nH+]ccn1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000151896137 402064307 /nfs/dbraw/zinc/06/43/07/402064307.db2.gz OYUZRASPYNCQGC-ZDUSSCGKSA-N 1 1 305.334 2.355 20 5 DEBDMO COCCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000066379037 402132128 /nfs/dbraw/zinc/13/21/28/402132128.db2.gz FGKLUIXJRJRSKK-UHFFFAOYSA-N 1 1 309.366 2.200 20 5 DEBDMO Cc1c(CC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000124739794 402194666 /nfs/dbraw/zinc/19/46/66/402194666.db2.gz IUGZZNGNEPQDPP-MRXNPFEDSA-N 1 1 319.405 2.244 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000101954973 402159342 /nfs/dbraw/zinc/15/93/42/402159342.db2.gz MICFZYSNXKCLTO-UHFFFAOYSA-N 1 1 320.393 2.239 20 5 DEBDMO CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000125183370 402217738 /nfs/dbraw/zinc/21/77/38/402217738.db2.gz GSSRYUOIKAIKJF-LLVKDONJSA-N 1 1 307.350 2.274 20 5 DEBDMO CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000125183370 402217740 /nfs/dbraw/zinc/21/77/40/402217740.db2.gz GSSRYUOIKAIKJF-LLVKDONJSA-N 1 1 307.350 2.274 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](Nc3ccccc3)C2)n1 ZINC000154851532 402236135 /nfs/dbraw/zinc/23/61/35/402236135.db2.gz PVATXOYCXGEAOZ-HNNXBMFYSA-N 1 1 315.377 2.368 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CN1CCN(C)CC1 ZINC000155004478 402241499 /nfs/dbraw/zinc/24/14/99/402241499.db2.gz GASFAZRFTOPSFV-GJZGRUSLSA-N 1 1 320.437 2.190 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000108338873 402250669 /nfs/dbraw/zinc/25/06/69/402250669.db2.gz UDNQERMWIJMLMX-MRZGDXHCSA-N 1 1 303.362 2.066 20 5 DEBDMO C[NH+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000154416615 402212167 /nfs/dbraw/zinc/21/21/67/402212167.db2.gz IAFQLFMNKDIVSF-UHFFFAOYSA-N 1 1 318.402 2.466 20 5 DEBDMO COc1ccccc1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176212876 402291169 /nfs/dbraw/zinc/29/11/69/402291169.db2.gz LJPCBHUPZFNLLN-UHFFFAOYSA-N 1 1 316.361 2.465 20 5 DEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176922814 402350391 /nfs/dbraw/zinc/35/03/91/402350391.db2.gz HZLGBCRPCQUEMM-LBPRGKRZSA-N 1 1 320.393 2.123 20 5 DEBDMO CC[C@H]1[C@H](C)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185603625 402364930 /nfs/dbraw/zinc/36/49/30/402364930.db2.gz VSXZUBPKRZZKBM-INWMFGNUSA-N 1 1 308.378 2.455 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177068158 402366378 /nfs/dbraw/zinc/36/63/78/402366378.db2.gz LWWMWDHQFOVURW-VXGBXAGGSA-N 1 1 303.362 2.258 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177105488 402370436 /nfs/dbraw/zinc/37/04/36/402370436.db2.gz KDQPLCZIJVUKFS-VQSVOGCMSA-N 1 1 315.373 2.349 20 5 DEBDMO COc1cccc(NC[C@@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185148653 402328482 /nfs/dbraw/zinc/32/84/82/402328482.db2.gz RROVSMVIDIWIDB-AWEZNQCLSA-N 1 1 323.393 2.372 20 5 DEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000177307070 402389543 /nfs/dbraw/zinc/38/95/43/402389543.db2.gz DHSXDNRTGPRXJG-JTQLQIEISA-N 1 1 320.324 2.305 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(N(C)CC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000338709915 404491920 /nfs/dbraw/zinc/49/19/20/404491920.db2.gz UMUJIFXAKUJLEH-CHWSQXEVSA-N 1 1 323.393 2.149 20 5 DEBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000245841175 402490251 /nfs/dbraw/zinc/49/02/51/402490251.db2.gz BJJYOGGPITWKGN-QWHCGFSZSA-N 1 1 317.389 2.462 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000171075411 402554851 /nfs/dbraw/zinc/55/48/51/402554851.db2.gz SLNIKGJYOWMKLN-ZDUSSCGKSA-N 1 1 322.409 2.467 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC1(O)CCOCC1 ZINC000189789168 402558776 /nfs/dbraw/zinc/55/87/76/402558776.db2.gz JCWSPARWBZXTOG-ZDUSSCGKSA-N 1 1 308.378 2.438 20 5 DEBDMO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+](C)C1CC1 ZINC000171218098 402567947 /nfs/dbraw/zinc/56/79/47/402567947.db2.gz KZSYJGKLNKJBJM-SNVBAGLBSA-N 1 1 318.377 2.374 20 5 DEBDMO C[C@@H]1CSCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000190485420 402605392 /nfs/dbraw/zinc/60/53/92/402605392.db2.gz PFGVRCWBAWSHKE-NSHDSACASA-N 1 1 309.391 2.218 20 5 DEBDMO C[C@@H]1CSCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000190485420 402605394 /nfs/dbraw/zinc/60/53/94/402605394.db2.gz PFGVRCWBAWSHKE-NSHDSACASA-N 1 1 309.391 2.218 20 5 DEBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255073809 402678291 /nfs/dbraw/zinc/67/82/91/402678291.db2.gz ZIIGBBCWSVUOGF-RDIZVCBXSA-N 1 1 315.373 2.303 20 5 DEBDMO CC(C)OCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173463818 402698781 /nfs/dbraw/zinc/69/87/81/402698781.db2.gz YBFIRNJFODBHTQ-ZDUSSCGKSA-N 1 1 308.382 2.291 20 5 DEBDMO C[C@H]1CN(CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000192762205 402748524 /nfs/dbraw/zinc/74/85/24/402748524.db2.gz JXRRPJSIXQFZFK-AWEZNQCLSA-N 1 1 319.405 2.280 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCCCCO ZINC000278856082 402879013 /nfs/dbraw/zinc/87/90/13/402879013.db2.gz KRNPBLTYEKWJMK-UHFFFAOYSA-N 1 1 323.393 2.326 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000272051207 402891354 /nfs/dbraw/zinc/89/13/54/402891354.db2.gz ZJUFWWFZNVEMPB-UHFFFAOYSA-N 1 1 304.350 2.287 20 5 DEBDMO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000279011556 402895306 /nfs/dbraw/zinc/89/53/06/402895306.db2.gz ALAYVLHIUYAADW-CYBMUJFWSA-N 1 1 306.362 2.365 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000279011556 402895307 /nfs/dbraw/zinc/89/53/07/402895307.db2.gz ALAYVLHIUYAADW-CYBMUJFWSA-N 1 1 306.362 2.365 20 5 DEBDMO C[C@H](CCO)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272502533 402944774 /nfs/dbraw/zinc/94/47/74/402944774.db2.gz HEDMGMVKWRRRHL-IUODEOHRSA-N 1 1 318.377 2.026 20 5 DEBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@@H]1O ZINC000272512156 402946432 /nfs/dbraw/zinc/94/64/32/402946432.db2.gz KENHDHAGHMOXGU-BPUTZDHNSA-N 1 1 308.378 2.111 20 5 DEBDMO CC[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000266544500 402972848 /nfs/dbraw/zinc/97/28/48/402972848.db2.gz RMIIGALDHHYYEV-QLFBSQMISA-N 1 1 321.421 2.433 20 5 DEBDMO CC1=C(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280828673 403040927 /nfs/dbraw/zinc/04/09/27/403040927.db2.gz VRNXQAIUGOEANP-AWEZNQCLSA-N 1 1 306.362 2.377 20 5 DEBDMO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000274630207 403073066 /nfs/dbraw/zinc/07/30/66/403073066.db2.gz XWKXKKJNGPMZTH-UHFFFAOYSA-N 1 1 321.377 2.245 20 5 DEBDMO Cc1cccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000270580575 403202582 /nfs/dbraw/zinc/20/25/82/403202582.db2.gz QSCFPROZSCFXGE-UHFFFAOYSA-N 1 1 301.346 2.197 20 5 DEBDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998481 403237830 /nfs/dbraw/zinc/23/78/30/403237830.db2.gz HSFOOKBSJGZVQR-GLQYFDAESA-N 1 1 304.394 2.454 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000277571752 403232036 /nfs/dbraw/zinc/23/20/36/403232036.db2.gz LFCRDNPBMGUIEK-BXUZGUMPSA-N 1 1 321.377 2.016 20 5 DEBDMO CCOCC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000277607297 403236193 /nfs/dbraw/zinc/23/61/93/403236193.db2.gz FOGAFFBRVZDQPQ-MRXNPFEDSA-N 1 1 308.378 2.347 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000330674053 403302977 /nfs/dbraw/zinc/30/29/77/403302977.db2.gz QCIDXFVLSCTVBV-JTQLQIEISA-N 1 1 309.391 2.093 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000330674053 403302982 /nfs/dbraw/zinc/30/29/82/403302982.db2.gz QCIDXFVLSCTVBV-JTQLQIEISA-N 1 1 309.391 2.093 20 5 DEBDMO Cc1n[nH]c(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000270981247 403248925 /nfs/dbraw/zinc/24/89/25/403248925.db2.gz CXMIMJYFRSFVGH-UHFFFAOYSA-N 1 1 315.377 2.257 20 5 DEBDMO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158175 403250318 /nfs/dbraw/zinc/25/03/18/403250318.db2.gz PRUBWDDFHZOSLH-NWDGAFQWSA-N 1 1 304.394 2.312 20 5 DEBDMO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158175 403250319 /nfs/dbraw/zinc/25/03/19/403250319.db2.gz PRUBWDDFHZOSLH-NWDGAFQWSA-N 1 1 304.394 2.312 20 5 DEBDMO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284166115 403250462 /nfs/dbraw/zinc/25/04/62/403250462.db2.gz QLRQIJQNZTUEQH-GWCFXTLKSA-N 1 1 309.322 2.238 20 5 DEBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284166115 403250465 /nfs/dbraw/zinc/25/04/65/403250465.db2.gz QLRQIJQNZTUEQH-GWCFXTLKSA-N 1 1 309.322 2.238 20 5 DEBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000277767229 403254484 /nfs/dbraw/zinc/25/44/84/403254484.db2.gz DGQWCARTOWXSHI-OAHLLOKOSA-N 1 1 303.362 2.342 20 5 DEBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277927794 403271633 /nfs/dbraw/zinc/27/16/33/403271633.db2.gz NNSNQKAQEOSITH-MRXNPFEDSA-N 1 1 317.389 2.270 20 5 DEBDMO CO[C@@H](C)C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285695106 403358966 /nfs/dbraw/zinc/35/89/66/403358966.db2.gz NXVGSQXPVFWKJE-JTQLQIEISA-N 1 1 306.322 2.112 20 5 DEBDMO CO[C@@H](C)C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285695106 403358969 /nfs/dbraw/zinc/35/89/69/403358969.db2.gz NXVGSQXPVFWKJE-JTQLQIEISA-N 1 1 306.322 2.112 20 5 DEBDMO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000331245115 403361089 /nfs/dbraw/zinc/36/10/89/403361089.db2.gz LTLXUYVCEXPTEJ-BXUZGUMPSA-N 1 1 305.378 2.045 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCCCO1 ZINC000342683522 403307382 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305.378 2.360 20 5 DEBDMO CCC[N@H+](CCN1CCCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285973122 403422627 /nfs/dbraw/zinc/42/26/27/403422627.db2.gz NPGANALICMTUSA-KRWDZBQOSA-N 1 1 321.421 2.436 20 5 DEBDMO CCC[N@@H+](CCN1CCCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285973122 403422631 /nfs/dbraw/zinc/42/26/31/403422631.db2.gz NPGANALICMTUSA-KRWDZBQOSA-N 1 1 321.421 2.436 20 5 DEBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCCO[C@@H]1CCCCO1)CC2 ZINC000332029531 403465963 /nfs/dbraw/zinc/46/59/63/403465963.db2.gz NTPNWZHJBXHDGE-MRXNPFEDSA-N 1 1 321.377 2.281 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000298933608 403488573 /nfs/dbraw/zinc/48/85/73/403488573.db2.gz AVIRLXYDODLBGE-ZIAGYGMSSA-N 1 1 307.325 2.091 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000332249074 403529070 /nfs/dbraw/zinc/52/90/70/403529070.db2.gz ACEWZXGAZPOQII-AWEZNQCLSA-N 1 1 310.329 2.069 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000345940494 403542319 /nfs/dbraw/zinc/54/23/19/403542319.db2.gz CVXDAHMEOROUFY-QWHCGFSZSA-N 1 1 305.378 2.458 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000299098206 403520013 /nfs/dbraw/zinc/52/00/13/403520013.db2.gz QQNSRAPTMPZIPB-OLZOCXBDSA-N 1 1 305.378 2.445 20 5 DEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCC[C@@H](C)C1 ZINC000301096832 403589581 /nfs/dbraw/zinc/58/95/81/403589581.db2.gz JLUBSICNTUXKIS-GFCCVEGCSA-N 1 1 320.393 2.098 20 5 DEBDMO O=[N+]([O-])c1c(N2CCC(c3[nH]cc[nH+]3)CC2)nc2sccn21 ZINC000299487482 403561337 /nfs/dbraw/zinc/56/13/37/403561337.db2.gz DZZLXZDCVYKOBS-UHFFFAOYSA-N 1 1 318.362 2.411 20 5 DEBDMO O=C([C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000287295844 403570314 /nfs/dbraw/zinc/57/03/14/403570314.db2.gz ITHASXBKOLGZOX-AWEZNQCLSA-N 1 1 303.362 2.039 20 5 DEBDMO Cc1c(NC(=O)N2CC[N@H+](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000340245181 403575287 /nfs/dbraw/zinc/57/52/87/403575287.db2.gz CNMOUGLZQIMDPH-LLVKDONJSA-N 1 1 306.366 2.461 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)[N@H+]1C ZINC000294048831 403633230 /nfs/dbraw/zinc/63/32/30/403633230.db2.gz UBIQBQDMLRIIQX-PHIMTYICSA-N 1 1 316.361 2.241 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)[N@@H+]1C ZINC000294048831 403633231 /nfs/dbraw/zinc/63/32/31/403633231.db2.gz UBIQBQDMLRIIQX-PHIMTYICSA-N 1 1 316.361 2.241 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000347335012 403668313 /nfs/dbraw/zinc/66/83/13/403668313.db2.gz JUQZUJIWGFOADW-CEFACKQISA-N 1 1 303.362 2.195 20 5 DEBDMO Cc1cc(N2CC[NH+](CCCO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301812030 403684365 /nfs/dbraw/zinc/68/43/65/403684365.db2.gz DZFDPXMBUSJESF-UHFFFAOYSA-N 1 1 313.785 2.061 20 5 DEBDMO O=C([C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000347446063 403712606 /nfs/dbraw/zinc/71/26/06/403712606.db2.gz HDPNGYNPWBMOSQ-LBPRGKRZSA-N 1 1 321.352 2.178 20 5 DEBDMO CCOC1CC([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000347455887 403716211 /nfs/dbraw/zinc/71/62/11/403716211.db2.gz SMEVFBLABOBVMI-UHFFFAOYSA-N 1 1 321.377 2.341 20 5 DEBDMO CCOC1CC([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000347455887 403716212 /nfs/dbraw/zinc/71/62/12/403716212.db2.gz SMEVFBLABOBVMI-UHFFFAOYSA-N 1 1 321.377 2.341 20 5 DEBDMO C[C@@H]1C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1C ZINC000347463406 403718851 /nfs/dbraw/zinc/71/88/51/403718851.db2.gz MLZHUELVVGWFLC-GHMZBOCLSA-N 1 1 301.350 2.433 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351622842 403811332 /nfs/dbraw/zinc/81/13/32/403811332.db2.gz SUHYSHVPYYOHRV-NXEZZACHSA-N 1 1 310.329 2.290 20 5 DEBDMO CC(C)C[C@@H]1CCCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304335776 403782522 /nfs/dbraw/zinc/78/25/22/403782522.db2.gz WVLWEVMESFMSFK-HOCLYGCPSA-N 1 1 324.425 2.443 20 5 DEBDMO Cc1ccc(S(=O)(=O)N(C)c2cc[nH+]c(C)c2)c([N+](=O)[O-])c1 ZINC000361823588 403887041 /nfs/dbraw/zinc/88/70/41/403887041.db2.gz VPIPXRKJUWUXPK-UHFFFAOYSA-N 1 1 321.358 2.432 20 5 DEBDMO CC[C@]1(CO)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411624408 403916120 /nfs/dbraw/zinc/91/61/20/403916120.db2.gz UHCIIMDJGXYMDF-MRXNPFEDSA-N 1 1 321.377 2.160 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000295424326 403917320 /nfs/dbraw/zinc/91/73/20/403917320.db2.gz UJKGQDPOCBGVBZ-WDEREUQCSA-N 1 1 318.333 2.212 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000295424326 403917329 /nfs/dbraw/zinc/91/73/29/403917329.db2.gz UJKGQDPOCBGVBZ-WDEREUQCSA-N 1 1 318.333 2.212 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344171210 403955697 /nfs/dbraw/zinc/95/56/97/403955697.db2.gz DHPVNRQNXFOZAN-CHWSQXEVSA-N 1 1 307.325 2.091 20 5 DEBDMO C[C@H]1COC(C)(C)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337424563 404014796 /nfs/dbraw/zinc/01/47/96/404014796.db2.gz RMUFJXVFOYSUNN-LBPRGKRZSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000344305621 404045208 /nfs/dbraw/zinc/04/52/08/404045208.db2.gz VNSCXDYSHYVUPI-LLVKDONJSA-N 1 1 301.350 2.302 20 5 DEBDMO Cc1c(C[N@H+](C)C(C)(C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000412073557 404109323 /nfs/dbraw/zinc/10/93/23/404109323.db2.gz AAMVPZGNVWTCJV-UHFFFAOYSA-N 1 1 321.421 2.446 20 5 DEBDMO COC(=O)[C@@]1(C)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000412110641 404140579 /nfs/dbraw/zinc/14/05/79/404140579.db2.gz VDULYEMAVUMJHU-INIZCTEOSA-N 1 1 322.361 2.249 20 5 DEBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C ZINC000412225254 404196140 /nfs/dbraw/zinc/19/61/40/404196140.db2.gz KDELDJBSJRRGMS-GUYJKWIASA-N 1 1 317.389 2.249 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000412225733 404196573 /nfs/dbraw/zinc/19/65/73/404196573.db2.gz HBZVUQFENSNHHW-GUYJKWIASA-N 1 1 317.389 2.249 20 5 DEBDMO COC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000296527667 404291500 /nfs/dbraw/zinc/29/15/00/404291500.db2.gz ARLDFYQLLZLYCQ-INIZCTEOSA-N 1 1 321.377 2.200 20 5 DEBDMO COC[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000296527667 404291508 /nfs/dbraw/zinc/29/15/08/404291508.db2.gz ARLDFYQLLZLYCQ-INIZCTEOSA-N 1 1 321.377 2.200 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000349909785 404255200 /nfs/dbraw/zinc/25/52/00/404255200.db2.gz ZJXUYGPCPVUTOI-NSHDSACASA-N 1 1 324.381 2.454 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C1CCN(CCO)CC1 ZINC000352426523 404362406 /nfs/dbraw/zinc/36/24/06/404362406.db2.gz VJWXVWPKDLUEEV-AWEZNQCLSA-N 1 1 321.421 2.353 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C1CC[NH+](CCO)CC1 ZINC000352426523 404362409 /nfs/dbraw/zinc/36/24/09/404362409.db2.gz VJWXVWPKDLUEEV-AWEZNQCLSA-N 1 1 321.421 2.353 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000338525753 404381535 /nfs/dbraw/zinc/38/15/35/404381535.db2.gz LXPUURIQFYZHPG-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000338525752 404381696 /nfs/dbraw/zinc/38/16/96/404381696.db2.gz LXPUURIQFYZHPG-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)CC(F)(F)F ZINC000352538962 404444235 /nfs/dbraw/zinc/44/42/35/404444235.db2.gz RIDRVJIIFDYDFM-LLVKDONJSA-N 1 1 306.284 2.382 20 5 DEBDMO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000297128338 404463057 /nfs/dbraw/zinc/46/30/57/404463057.db2.gz TYIGRWISYQTFMH-AGUYFDCRSA-N 1 1 303.362 2.258 20 5 DEBDMO Cc1c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000373933858 404646623 /nfs/dbraw/zinc/64/66/23/404646623.db2.gz NYIUKWNYYXBOFX-QWHCGFSZSA-N 1 1 303.362 2.260 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@H]1C ZINC000356618660 404624137 /nfs/dbraw/zinc/62/41/37/404624137.db2.gz JUPSPAWOTBKBGF-NEPJUHHUSA-N 1 1 321.377 2.158 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](n4cccn4)C3)nc2c1 ZINC000292026441 404632942 /nfs/dbraw/zinc/63/29/42/404632942.db2.gz YPOWMXGHVKCKPY-LBPRGKRZSA-N 1 1 313.317 2.380 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](n4cccn4)C3)nc2c1 ZINC000292026441 404632947 /nfs/dbraw/zinc/63/29/47/404632947.db2.gz YPOWMXGHVKCKPY-LBPRGKRZSA-N 1 1 313.317 2.380 20 5 DEBDMO CN(C(=O)C[N@@H+](C)CC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000342589138 404666074 /nfs/dbraw/zinc/66/60/74/404666074.db2.gz LSKZIXIXUHTKMJ-HNNXBMFYSA-N 1 1 321.377 2.059 20 5 DEBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000374348328 404705517 /nfs/dbraw/zinc/70/55/17/404705517.db2.gz FTEUSQQPQYIDLR-SNVBAGLBSA-N 1 1 317.305 2.230 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1 ZINC000365837194 404730210 /nfs/dbraw/zinc/73/02/10/404730210.db2.gz KLLYTPIGZFACTF-ZNMIVQPWSA-N 1 1 322.409 2.197 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000356881900 404715574 /nfs/dbraw/zinc/71/55/74/404715574.db2.gz PCJPMBRQQLHTMG-GHMZBOCLSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000356881900 404715578 /nfs/dbraw/zinc/71/55/78/404715578.db2.gz PCJPMBRQQLHTMG-GHMZBOCLSA-N 1 1 323.418 2.481 20 5 DEBDMO COC[C@]1(C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000451199177 404898535 /nfs/dbraw/zinc/89/85/35/404898535.db2.gz HAZSLPOEFBWPKP-MRXNPFEDSA-N 1 1 321.377 2.282 20 5 DEBDMO COC[C@]1(C)CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000451198249 404898568 /nfs/dbraw/zinc/89/85/68/404898568.db2.gz DWHCFWYLLQMHSQ-MRXNPFEDSA-N 1 1 321.377 2.200 20 5 DEBDMO COC[C@]1(C)CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000451198249 404898575 /nfs/dbraw/zinc/89/85/75/404898575.db2.gz DWHCFWYLLQMHSQ-MRXNPFEDSA-N 1 1 321.377 2.200 20 5 DEBDMO CC[C@](C)(O)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353506752 404851595 /nfs/dbraw/zinc/85/15/95/404851595.db2.gz ZGXIDWUSYKCPLE-HOCLYGCPSA-N 1 1 318.377 2.168 20 5 DEBDMO CC(C)C[C@@]1(C)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451293957 404943453 /nfs/dbraw/zinc/94/34/53/404943453.db2.gz WYRWJAHZCWHXPC-HUUCEWRRSA-N 1 1 310.398 2.053 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c1 ZINC000354011381 405000641 /nfs/dbraw/zinc/00/06/41/405000641.db2.gz ZSYIELBXBBZVPZ-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000568340666 292331766 /nfs/dbraw/zinc/33/17/66/292331766.db2.gz VLNDHYYBFSOBEE-LBPRGKRZSA-N 1 1 308.382 2.123 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000408148046 405123467 /nfs/dbraw/zinc/12/34/67/405123467.db2.gz KDYCBMVPARFGTC-NEPJUHHUSA-N 1 1 306.366 2.460 20 5 DEBDMO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1CO ZINC000361661652 405188996 /nfs/dbraw/zinc/18/89/96/405188996.db2.gz NZVGHEISPRWWET-GXSJLCMTSA-N 1 1 316.304 2.256 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1CO ZINC000361661652 405188999 /nfs/dbraw/zinc/18/89/99/405188999.db2.gz NZVGHEISPRWWET-GXSJLCMTSA-N 1 1 316.304 2.256 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CCCO)C1 ZINC000452136601 405191767 /nfs/dbraw/zinc/19/17/67/405191767.db2.gz YSBFIWMKIIMSFL-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354418771 405205198 /nfs/dbraw/zinc/20/51/98/405205198.db2.gz DAKIQXWQGXLWIC-BBRMVZONSA-N 1 1 319.405 2.469 20 5 DEBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000408453001 405209430 /nfs/dbraw/zinc/20/94/30/405209430.db2.gz PLYAYHBVAJUKCM-IAQYHMDHSA-N 1 1 318.377 2.012 20 5 DEBDMO COC(=O)C1(C)C[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000425374765 405282559 /nfs/dbraw/zinc/28/25/59/405282559.db2.gz RCGBQQXRROVREN-KPKJPENVSA-N 1 1 304.346 2.493 20 5 DEBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452863577 405252385 /nfs/dbraw/zinc/25/23/85/405252385.db2.gz VMLLTYVWQHUPJZ-HOCLYGCPSA-N 1 1 317.389 2.395 20 5 DEBDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438819152 405255414 /nfs/dbraw/zinc/25/54/14/405255414.db2.gz LPUQDRQACBYICR-QEJZJMRPSA-N 1 1 310.398 2.053 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426197380 405343629 /nfs/dbraw/zinc/34/36/29/405343629.db2.gz CDVJNQAVJCTHMV-NILFDRSVSA-N 1 1 321.377 2.157 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000425479459 405296965 /nfs/dbraw/zinc/29/69/65/405296965.db2.gz OCPWSIGRQCAIEQ-INIZCTEOSA-N 1 1 307.394 2.246 20 5 DEBDMO CC(C)[C@@H]1CN(C)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000425479459 405296967 /nfs/dbraw/zinc/29/69/67/405296967.db2.gz OCPWSIGRQCAIEQ-INIZCTEOSA-N 1 1 307.394 2.246 20 5 DEBDMO CC(C)[C@@H]1CN(C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000425479459 405296969 /nfs/dbraw/zinc/29/69/69/405296969.db2.gz OCPWSIGRQCAIEQ-INIZCTEOSA-N 1 1 307.394 2.246 20 5 DEBDMO C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000420824868 405391165 /nfs/dbraw/zinc/39/11/65/405391165.db2.gz RGCREPMFJAUASG-DOMZBBRYSA-N 1 1 320.393 2.391 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420929085 405407669 /nfs/dbraw/zinc/40/76/69/405407669.db2.gz CZZCZMMNFVPZMU-JSGCOSHPSA-N 1 1 308.378 2.436 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420929085 405407672 /nfs/dbraw/zinc/40/76/72/405407672.db2.gz CZZCZMMNFVPZMU-JSGCOSHPSA-N 1 1 308.378 2.436 20 5 DEBDMO C[N@@H+]1CC=C(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447572508 405418241 /nfs/dbraw/zinc/41/82/41/405418241.db2.gz CHKFWIZNOLHTGA-LSDHHAIUSA-N 1 1 319.409 2.127 20 5 DEBDMO COc1ccc(OCCN(C)C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000420996196 405423409 /nfs/dbraw/zinc/42/34/09/405423409.db2.gz FLPXHBWZLOIFDN-ZDUSSCGKSA-N 1 1 323.393 2.008 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000426460184 405360595 /nfs/dbraw/zinc/36/05/95/405360595.db2.gz MNZWNAQBPNGRHN-XNRPHZJLSA-N 1 1 306.362 2.209 20 5 DEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000426459446 405361080 /nfs/dbraw/zinc/36/10/80/405361080.db2.gz KKFWPDXNZRTRDF-SWLSCSKDSA-N 1 1 324.402 2.243 20 5 DEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000426459446 405361082 /nfs/dbraw/zinc/36/10/82/405361082.db2.gz KKFWPDXNZRTRDF-SWLSCSKDSA-N 1 1 324.402 2.243 20 5 DEBDMO O=C(C[N@H+]1CC[C@@H]2CCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000426455526 405361197 /nfs/dbraw/zinc/36/11/97/405361197.db2.gz TWSJPXGNNREVKN-WFASDCNBSA-N 1 1 315.373 2.358 20 5 DEBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000421365536 405475261 /nfs/dbraw/zinc/47/52/61/405475261.db2.gz UVDGZSXPBVOONO-NEPJUHHUSA-N 1 1 324.377 2.062 20 5 DEBDMO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457085171 405688382 /nfs/dbraw/zinc/68/83/82/405688382.db2.gz MJJUMXMBKXQTQR-ZDUSSCGKSA-N 1 1 305.378 2.458 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000584121703 405829311 /nfs/dbraw/zinc/82/93/11/405829311.db2.gz VMQUSYNVDCNYKU-GFCCVEGCSA-N 1 1 301.350 2.201 20 5 DEBDMO Cc1cc(N(C)CC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000432938386 405839202 /nfs/dbraw/zinc/83/92/02/405839202.db2.gz NMYYUNQEMRXMHJ-UHFFFAOYSA-N 1 1 307.394 2.450 20 5 DEBDMO Cc1cc(N(C)CC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000432938386 405839211 /nfs/dbraw/zinc/83/92/11/405839211.db2.gz NMYYUNQEMRXMHJ-UHFFFAOYSA-N 1 1 307.394 2.450 20 5 DEBDMO COC(C)(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000533345178 406137356 /nfs/dbraw/zinc/13/73/56/406137356.db2.gz PRNAUWHDNXRYQR-NSHDSACASA-N 1 1 309.366 2.279 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000487145249 406208674 /nfs/dbraw/zinc/20/86/74/406208674.db2.gz BBYIOIIXPIZQOL-JTQLQIEISA-N 1 1 309.391 2.093 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000487145249 406208677 /nfs/dbraw/zinc/20/86/77/406208677.db2.gz BBYIOIIXPIZQOL-JTQLQIEISA-N 1 1 309.391 2.093 20 5 DEBDMO CNc1ccc(C(=O)NCC[N@@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000545870050 406329816 /nfs/dbraw/zinc/32/98/16/406329816.db2.gz MNLUXZYJHOQHIT-UHFFFAOYSA-N 1 1 318.377 2.018 20 5 DEBDMO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1C ZINC000489430507 406404169 /nfs/dbraw/zinc/40/41/69/406404169.db2.gz PHWMDTOPZQYNJB-GXTWGEPZSA-N 1 1 324.377 2.229 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC2(CCO2)CC1 ZINC000572181207 406618685 /nfs/dbraw/zinc/61/86/85/406618685.db2.gz QQFJNIXXYATVLJ-UHFFFAOYSA-N 1 1 319.361 2.097 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000491414920 406588456 /nfs/dbraw/zinc/58/84/56/406588456.db2.gz JMDJCTKMLAXTCY-SBJJXXPASA-N 1 1 317.389 2.455 20 5 DEBDMO Cn1cc(C[NH2+]Cc2cc[nH]n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000553247647 406744569 /nfs/dbraw/zinc/74/45/69/406744569.db2.gz JNRCBFZSTYTZRN-UHFFFAOYSA-N 1 1 312.333 2.008 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000491913866 406776507 /nfs/dbraw/zinc/77/65/07/406776507.db2.gz KJLIABQPOPFEDV-OZAOCKQISA-N 1 1 321.352 2.346 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000555959377 406858909 /nfs/dbraw/zinc/85/89/09/406858909.db2.gz XSEUDSGIJAOHCG-CYBMUJFWSA-N 1 1 319.405 2.330 20 5 DEBDMO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000555312662 406840738 /nfs/dbraw/zinc/84/07/38/406840738.db2.gz SJDFANPZIQAFHI-WWGRRREGSA-N 1 1 319.405 2.497 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OCCOC)C1 ZINC000189706961 225061697 /nfs/dbraw/zinc/06/16/97/225061697.db2.gz JQWQPWFUUAGWDM-OAHLLOKOSA-N 1 1 324.377 2.231 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OCCOC)C1 ZINC000189706961 225061703 /nfs/dbraw/zinc/06/17/03/225061703.db2.gz JQWQPWFUUAGWDM-OAHLLOKOSA-N 1 1 324.377 2.231 20 5 DEBDMO CC(C)Oc1nc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000594566122 425013150 /nfs/dbraw/zinc/01/31/50/425013150.db2.gz AWPAWFFTCOLKQL-NEPJUHHUSA-N 1 1 320.393 2.814 20 5 DEBDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430206670 269126390 /nfs/dbraw/zinc/12/63/90/269126390.db2.gz XRWJWWWIXCUFDK-LLVKDONJSA-N 1 1 322.361 2.377 20 5 DEBDMO O=C1[C@H]([N@H+]2CC[C@H](C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344022130 275030060 /nfs/dbraw/zinc/03/00/60/275030060.db2.gz CVTNTBPRCSTVQE-XJKSGUPXSA-N 1 1 315.373 2.432 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC[C@H]3CCCO3)C2)nc1 ZINC000249301537 275037132 /nfs/dbraw/zinc/03/71/32/275037132.db2.gz NRUSXUMPWZZOTF-GXTWGEPZSA-N 1 1 306.366 2.045 20 5 DEBDMO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457053182 276041382 /nfs/dbraw/zinc/04/13/82/276041382.db2.gz KBPKBAVUNGTOGV-UHFFFAOYSA-N 1 1 323.397 2.046 20 5 DEBDMO COc1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000266187091 277832756 /nfs/dbraw/zinc/83/27/56/277832756.db2.gz BDOJLXLNBDSNKR-RYUDHWBXSA-N 1 1 309.366 2.125 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000286482923 278865042 /nfs/dbraw/zinc/86/50/42/278865042.db2.gz WSTRITFXFOOSPC-KGLIPLIRSA-N 1 1 305.378 2.203 20 5 DEBDMO C[C@H]1[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343423087 280105628 /nfs/dbraw/zinc/10/56/28/280105628.db2.gz WFTDTCMQTAVHAO-ONGXEEELSA-N 1 1 311.769 2.461 20 5 DEBDMO Cc1cc(NC2CCN(c3[nH+]ccn3C)CC2)ncc1[N+](=O)[O-] ZINC000364609772 280626077 /nfs/dbraw/zinc/62/60/77/280626077.db2.gz UHKSICAKWOBRIX-UHFFFAOYSA-N 1 1 316.365 2.113 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000272255888 290160492 /nfs/dbraw/zinc/16/04/92/290160492.db2.gz ZEPAYNHQSOTSRY-YGRLFVJLSA-N 1 1 306.322 2.033 20 5 DEBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000338444605 520586986 /nfs/dbraw/zinc/58/69/86/520586986.db2.gz ZAMGDVZRRHSMTG-LBPRGKRZSA-N 1 1 308.382 2.307 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000338074741 521641914 /nfs/dbraw/zinc/64/19/14/521641914.db2.gz SEKBSNIFCMLUEL-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000248634844 522351207 /nfs/dbraw/zinc/35/12/07/522351207.db2.gz SYIYZLGTZLELPB-IINYFYTJSA-N 1 1 312.341 2.335 20 5 DEBDMO CC(=O)c1ccc(N[C@H]2CCC[N@@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000294864823 527319511 /nfs/dbraw/zinc/31/95/11/527319511.db2.gz CPVPCRLSJLVSFR-AWEZNQCLSA-N 1 1 321.377 2.056 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC[C@@H]3CCCO3)C2)nc1 ZINC000189677502 527367775 /nfs/dbraw/zinc/36/77/75/527367775.db2.gz NRUSXUMPWZZOTF-OCCSQVGLSA-N 1 1 306.366 2.045 20 5 DEBDMO CC[N@@H+](C)CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000447805107 527802947 /nfs/dbraw/zinc/80/29/47/527802947.db2.gz HOPKZLIBVMEVHS-UHFFFAOYSA-N 1 1 315.757 2.398 20 5 DEBDMO CCCNC(=O)CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000411335808 528360200 /nfs/dbraw/zinc/36/02/00/528360200.db2.gz QOLSIEKUPWNWBP-UHFFFAOYSA-N 1 1 305.378 2.259 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000421904034 529134281 /nfs/dbraw/zinc/13/42/81/529134281.db2.gz GENOSYCXKBZWNN-ZDUSSCGKSA-N 1 1 305.378 2.378 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000421904034 529134282 /nfs/dbraw/zinc/13/42/82/529134282.db2.gz GENOSYCXKBZWNN-ZDUSSCGKSA-N 1 1 305.378 2.378 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000492994235 535208997 /nfs/dbraw/zinc/20/89/97/535208997.db2.gz ZQKCCDAPZGNXQB-YXMGTMDOSA-N 1 1 317.389 2.407 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1OC)C(C)C ZINC000356098674 535735683 /nfs/dbraw/zinc/73/56/83/535735683.db2.gz PVKUVAYIEQMVLF-UHFFFAOYSA-N 1 1 309.366 2.064 20 5 DEBDMO CO[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000340690990 536690034 /nfs/dbraw/zinc/69/00/34/536690034.db2.gz ZBDZXFWNZFRSCX-CQSZACIVSA-N 1 1 303.318 2.471 20 5 DEBDMO CO[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000340690990 536690040 /nfs/dbraw/zinc/69/00/40/536690040.db2.gz ZBDZXFWNZFRSCX-CQSZACIVSA-N 1 1 303.318 2.471 20 5 DEBDMO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451560824 536692498 /nfs/dbraw/zinc/69/24/98/536692498.db2.gz IIUSCHGIBBQJAL-LALPHHSUSA-N 1 1 321.377 2.279 20 5 DEBDMO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451560824 536692501 /nfs/dbraw/zinc/69/25/01/536692501.db2.gz IIUSCHGIBBQJAL-LALPHHSUSA-N 1 1 321.377 2.279 20 5 DEBDMO Cc1nn(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC001327697287 1148626489 /nfs/dbraw/zinc/62/64/89/1148626489.db2.gz GNHLKEVOBGPEKC-BLLLJJGKSA-N 1 1 316.361 2.179 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001327725752 1148632155 /nfs/dbraw/zinc/63/21/55/1148632155.db2.gz IZVSSEFEOKJRCV-HNNXBMFYSA-N 1 1 312.373 2.407 20 5 DEBDMO Cc1ccc(NCCNC(=O)c2cc(C)ccc2[N+](=O)[O-])[nH+]c1 ZINC001355393477 1152008414 /nfs/dbraw/zinc/00/84/14/1152008414.db2.gz QVIDMKHNVQGPGI-UHFFFAOYSA-N 1 1 314.345 2.449 20 5 DEBDMO COc1c(O)ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892104708 624782862 /nfs/dbraw/zinc/78/28/62/624782862.db2.gz DZVRTDAXVXQHPX-AAEUAGOBSA-N 1 1 323.393 2.224 20 5 DEBDMO COc1c(O)ccc(C[NH2+]C[C@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000892650646 625226595 /nfs/dbraw/zinc/22/65/95/625226595.db2.gz OTLBCTAPRRFWTO-LBPRGKRZSA-N 1 1 323.393 2.273 20 5 DEBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])n1C ZINC000837399478 650194347 /nfs/dbraw/zinc/19/43/47/650194347.db2.gz WQGCULQEYHXCQM-LBPRGKRZSA-N 1 1 309.366 2.353 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000894439752 637039680 /nfs/dbraw/zinc/03/96/80/637039680.db2.gz ZXKSUBASSZNJHK-OLZOCXBDSA-N 1 1 306.366 2.427 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000923315831 637106370 /nfs/dbraw/zinc/10/63/70/637106370.db2.gz MTPVEHXMYRABFO-XTPGFYLFSA-N 1 1 315.373 2.303 20 5 DEBDMO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928432205 637191690 /nfs/dbraw/zinc/19/16/90/637191690.db2.gz QIEXYQXHGHOOFQ-WCQYABFASA-N 1 1 321.377 2.204 20 5 DEBDMO C[N@H+]1C[C@@]2(C)CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@]2(C)C1 ZINC000894802030 637214636 /nfs/dbraw/zinc/21/46/36/637214636.db2.gz LYFAPZOFWCMGNM-IYBDPMFKSA-N 1 1 315.377 2.249 20 5 DEBDMO C[C@H](NC(=O)NCC[N@H+]1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000895067130 637471505 /nfs/dbraw/zinc/47/15/05/637471505.db2.gz PHMXFNBJLKTWTN-OLZOCXBDSA-N 1 1 320.393 2.297 20 5 DEBDMO CC[C@@H]1[C@@H](C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[N@H+]1C ZINC000867002367 637782626 /nfs/dbraw/zinc/78/26/26/637782626.db2.gz YIZBORPOIIPFNH-LSDHHAIUSA-N 1 1 317.389 2.210 20 5 DEBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000895246770 637847949 /nfs/dbraw/zinc/84/79/49/637847949.db2.gz CBQVLFRRIPEGGZ-QMTHXVAHSA-N 1 1 312.801 2.294 20 5 DEBDMO CCC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000740858831 637911458 /nfs/dbraw/zinc/91/14/58/637911458.db2.gz LKXQNOUCWSTETK-MGPQQGTHSA-N 1 1 308.382 2.274 20 5 DEBDMO Cc1nn(C[N@@H+]2CCCC3(CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000742160900 638039630 /nfs/dbraw/zinc/03/96/30/638039630.db2.gz JHNCRUUQOISTBU-UHFFFAOYSA-N 1 1 308.382 2.258 20 5 DEBDMO Cc1nn(C[N@H+]2CCCC3(CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000742160900 638039633 /nfs/dbraw/zinc/03/96/33/638039633.db2.gz JHNCRUUQOISTBU-UHFFFAOYSA-N 1 1 308.382 2.258 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000742241014 638052203 /nfs/dbraw/zinc/05/22/03/638052203.db2.gz MXWRTAYEAHVKQI-JTQLQIEISA-N 1 1 311.769 2.462 20 5 DEBDMO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895739005 638170783 /nfs/dbraw/zinc/17/07/83/638170783.db2.gz VDTOYBAKJRHGRG-YPMHNXCESA-N 1 1 320.393 2.238 20 5 DEBDMO O=C1CC2(CCC2)[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1 ZINC000895929060 638272212 /nfs/dbraw/zinc/27/22/12/638272212.db2.gz UROWVGIJUHHXFF-UTCJRWHESA-N 1 1 315.373 2.353 20 5 DEBDMO Cc1ccc(CNC(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000896220376 638416312 /nfs/dbraw/zinc/41/63/12/638416312.db2.gz QBOJMCGFTVPWHO-GFCCVEGCSA-N 1 1 320.393 2.044 20 5 DEBDMO CC[N@H+]1CCCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000748593389 638576660 /nfs/dbraw/zinc/57/66/60/638576660.db2.gz XKOATVTVYPEMJK-UHFFFAOYSA-N 1 1 308.407 2.319 20 5 DEBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000755433232 639550487 /nfs/dbraw/zinc/55/04/87/639550487.db2.gz BMCPBWUCOQKKGU-KECPUOCWSA-N 1 1 317.389 2.456 20 5 DEBDMO CC1(C)OCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CO1 ZINC000758012520 639906759 /nfs/dbraw/zinc/90/67/59/639906759.db2.gz RNRGCRUKSDLUED-UHFFFAOYSA-N 1 1 300.742 2.489 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@]3(CCOC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765083085 640735770 /nfs/dbraw/zinc/73/57/70/640735770.db2.gz TZEPQRVLANLOKI-INIZCTEOSA-N 1 1 316.361 2.323 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000769143406 641183768 /nfs/dbraw/zinc/18/37/68/641183768.db2.gz AOYQEQZFQZDJOL-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000769143406 641183775 /nfs/dbraw/zinc/18/37/75/641183775.db2.gz AOYQEQZFQZDJOL-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO CCCNCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841046615 641480720 /nfs/dbraw/zinc/48/07/20/641480720.db2.gz JLDAOPGPJXGKHG-UHFFFAOYSA-N 1 1 306.410 2.153 20 5 DEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898495244 641681338 /nfs/dbraw/zinc/68/13/38/641681338.db2.gz KMZMZJBANKYGNB-CQSZACIVSA-N 1 1 323.368 2.078 20 5 DEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898495244 641681342 /nfs/dbraw/zinc/68/13/42/641681342.db2.gz KMZMZJBANKYGNB-CQSZACIVSA-N 1 1 323.368 2.078 20 5 DEBDMO C[C@@H]1C[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@@H+](Cc2ccccc2)C1 ZINC000842382139 650723550 /nfs/dbraw/zinc/72/35/50/650723550.db2.gz SXDDPICSSNQFKN-SLBVQIDZSA-N 1 1 318.373 2.105 20 5 DEBDMO C[C@@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C[N@H+](Cc2ccccc2)C1 ZINC000842382139 650723553 /nfs/dbraw/zinc/72/35/53/650723553.db2.gz SXDDPICSSNQFKN-SLBVQIDZSA-N 1 1 318.373 2.105 20 5 DEBDMO C[C@@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C[N@@H+](Cc2ccccc2)C1 ZINC000842382139 650723555 /nfs/dbraw/zinc/72/35/55/650723555.db2.gz SXDDPICSSNQFKN-SLBVQIDZSA-N 1 1 318.373 2.105 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590581 642189576 /nfs/dbraw/zinc/18/95/76/642189576.db2.gz FAQVKZXSGGHPQR-RHSMWYFYSA-N 1 1 321.421 2.292 20 5 DEBDMO CC[C@]1(CO)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778329119 642373848 /nfs/dbraw/zinc/37/38/48/642373848.db2.gz FGFVWDGVXLNCCM-CVEARBPZSA-N 1 1 308.378 2.113 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000900848152 642490949 /nfs/dbraw/zinc/49/09/49/642490949.db2.gz SFOQRCCBMIJYBV-MRVPVSSYSA-N 1 1 315.732 2.163 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000900848152 642490950 /nfs/dbraw/zinc/49/09/50/642490950.db2.gz SFOQRCCBMIJYBV-MRVPVSSYSA-N 1 1 315.732 2.163 20 5 DEBDMO Cc1nn(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000782288693 642854364 /nfs/dbraw/zinc/85/43/64/642854364.db2.gz HYKXHBXMVXUOQL-AWEZNQCLSA-N 1 1 301.350 2.017 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000782288693 642854375 /nfs/dbraw/zinc/85/43/75/642854375.db2.gz HYKXHBXMVXUOQL-AWEZNQCLSA-N 1 1 301.350 2.017 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCc3ncsc3C2)cc1 ZINC000782635090 642910233 /nfs/dbraw/zinc/91/02/33/642910233.db2.gz WKQUCYCEEBWTBG-ZDUSSCGKSA-N 1 1 305.359 2.143 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCc3ncsc3C2)cc1 ZINC000782635090 642910235 /nfs/dbraw/zinc/91/02/35/642910235.db2.gz WKQUCYCEEBWTBG-ZDUSSCGKSA-N 1 1 305.359 2.143 20 5 DEBDMO Cc1nn(C[NH+]2CCC([C@H]3CCOC3)CC2)c(C)c1[N+](=O)[O-] ZINC000784005673 643082691 /nfs/dbraw/zinc/08/26/91/643082691.db2.gz RAOIGBBSULHQRB-AWEZNQCLSA-N 1 1 308.382 2.114 20 5 DEBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789965612 643795979 /nfs/dbraw/zinc/79/59/79/643795979.db2.gz DEGCYTHVCQRKQL-VIFPVBQESA-N 1 1 306.278 2.374 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000793954596 644328661 /nfs/dbraw/zinc/32/86/61/644328661.db2.gz JBFLUINSSDPLQL-JBLNNTITSA-N 1 1 315.373 2.018 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C)[NH2+]C3CC3)n2)c1 ZINC000843222396 650932759 /nfs/dbraw/zinc/93/27/59/650932759.db2.gz HQOBRVUNLNTLBU-SECBINFHSA-N 1 1 318.333 2.390 20 5 DEBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000155443653 644871224 /nfs/dbraw/zinc/87/12/24/644871224.db2.gz JBKGFHSQEBIJPO-AAEUAGOBSA-N 1 1 304.350 2.137 20 5 DEBDMO CON(C)C(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000799116533 645127520 /nfs/dbraw/zinc/12/75/20/645127520.db2.gz NKNLQVDRIUNOMA-UHFFFAOYSA-N 1 1 309.366 2.215 20 5 DEBDMO Cc1nn(C[N@@H+]2CC[C@H](c3ccccn3)C2)c(C)c1[N+](=O)[O-] ZINC000799158709 645135643 /nfs/dbraw/zinc/13/56/43/645135643.db2.gz QUKIWTFXRBEYCR-ZDUSSCGKSA-N 1 1 301.350 2.250 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@H](c3ccccn3)C2)c(C)c1[N+](=O)[O-] ZINC000799158709 645135646 /nfs/dbraw/zinc/13/56/46/645135646.db2.gz QUKIWTFXRBEYCR-ZDUSSCGKSA-N 1 1 301.350 2.250 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC[C@H]21 ZINC000804556764 645789222 /nfs/dbraw/zinc/78/92/22/645789222.db2.gz DUGWICWVEJXGRG-NWDGAFQWSA-N 1 1 320.349 2.424 20 5 DEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000808021949 646021958 /nfs/dbraw/zinc/02/19/58/646021958.db2.gz FRRQXVLWNLAJCM-NSHDSACASA-N 1 1 300.318 2.421 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000840139990 646091191 /nfs/dbraw/zinc/09/11/91/646091191.db2.gz DDDAWJUEYXDBNC-MRXNPFEDSA-N 1 1 316.361 2.405 20 5 DEBDMO CC(C)C(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000808737623 646135323 /nfs/dbraw/zinc/13/53/23/646135323.db2.gz NODOAWBDEVOXSS-GFCCVEGCSA-N 1 1 306.366 2.091 20 5 DEBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000913537356 646385668 /nfs/dbraw/zinc/38/56/68/646385668.db2.gz DXFQEGFBWJNVMG-BETUJISGSA-N 1 1 315.329 2.260 20 5 DEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000913537356 646385669 /nfs/dbraw/zinc/38/56/69/646385669.db2.gz DXFQEGFBWJNVMG-BETUJISGSA-N 1 1 315.329 2.260 20 5 DEBDMO CC[C@H](C)C[N@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000171890563 646717230 /nfs/dbraw/zinc/71/72/30/646717230.db2.gz MDTUFAHJGSYXMF-JTQLQIEISA-N 1 1 305.334 2.126 20 5 DEBDMO CC[C@H](C)C[N@@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000171890563 646717232 /nfs/dbraw/zinc/71/72/32/646717232.db2.gz MDTUFAHJGSYXMF-JTQLQIEISA-N 1 1 305.334 2.126 20 5 DEBDMO C[N@@H+](CCc1ccncc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351342 646725219 /nfs/dbraw/zinc/72/52/19/646725219.db2.gz SJLSHKMIXWVVIR-MRXNPFEDSA-N 1 1 301.346 2.198 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000731029395 647439163 /nfs/dbraw/zinc/43/91/63/647439163.db2.gz ANBJHVTWGFNHNE-LLVKDONJSA-N 1 1 306.322 2.399 20 5 DEBDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818973417 647553921 /nfs/dbraw/zinc/55/39/21/647553921.db2.gz PQTPJZRFFZAGDG-CPUCHLNUSA-N 1 1 321.421 2.338 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818973417 647553925 /nfs/dbraw/zinc/55/39/25/647553925.db2.gz PQTPJZRFFZAGDG-CPUCHLNUSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818984352 647557735 /nfs/dbraw/zinc/55/77/35/647557735.db2.gz FJVCOHQLIQNBPN-WMLDXEAASA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818984352 647557738 /nfs/dbraw/zinc/55/77/38/647557738.db2.gz FJVCOHQLIQNBPN-WMLDXEAASA-N 1 1 321.421 2.338 20 5 DEBDMO CC[C@H]1CCCC[N@@H+]1CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819065086 647576433 /nfs/dbraw/zinc/57/64/33/647576433.db2.gz CQPZYHCOFHMJMM-RDJZCZTQSA-N 1 1 321.421 2.482 20 5 DEBDMO CC[C@H]1CCCC[N@H+]1CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819065086 647576439 /nfs/dbraw/zinc/57/64/39/647576439.db2.gz CQPZYHCOFHMJMM-RDJZCZTQSA-N 1 1 321.421 2.482 20 5 DEBDMO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819133354 647590057 /nfs/dbraw/zinc/59/00/57/647590057.db2.gz OOQRZMUFKVDIBZ-BMFZPTHFSA-N 1 1 307.394 2.091 20 5 DEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822738895 648275611 /nfs/dbraw/zinc/27/56/11/648275611.db2.gz GHEZHRUBXXLBEH-MJBXVCDLSA-N 1 1 313.442 2.305 20 5 DEBDMO NC(=O)C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000175240217 648339511 /nfs/dbraw/zinc/33/95/11/648339511.db2.gz FXXIZRGTAMPSIA-SNVBAGLBSA-N 1 1 311.769 2.336 20 5 DEBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000175240217 648339514 /nfs/dbraw/zinc/33/95/14/648339514.db2.gz FXXIZRGTAMPSIA-SNVBAGLBSA-N 1 1 311.769 2.336 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000823179117 648368429 /nfs/dbraw/zinc/36/84/29/648368429.db2.gz HVXPRUUWHWBWEU-OAHLLOKOSA-N 1 1 322.365 2.275 20 5 DEBDMO Cc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]1 ZINC000825198988 648723980 /nfs/dbraw/zinc/72/39/80/648723980.db2.gz NUDHAFIRDFRHQC-ZDUSSCGKSA-N 1 1 315.329 2.283 20 5 DEBDMO CCc1ccc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827312031 649012467 /nfs/dbraw/zinc/01/24/67/649012467.db2.gz SZAXTIHJPLHTLH-CABCVRRESA-N 1 1 317.389 2.323 20 5 DEBDMO Cc1sc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827346280 649019732 /nfs/dbraw/zinc/01/97/32/649019732.db2.gz NVHZYLNNBJKIHS-QWRGUYRKSA-N 1 1 309.391 2.131 20 5 DEBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000827739383 649078502 /nfs/dbraw/zinc/07/85/02/649078502.db2.gz MJYRIVCAMCLVKA-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000827739383 649078504 /nfs/dbraw/zinc/07/85/04/649078504.db2.gz MJYRIVCAMCLVKA-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827977204 649114425 /nfs/dbraw/zinc/11/44/25/649114425.db2.gz AHEQMIFWMCFMAY-QXSJWSMHSA-N 1 1 315.373 2.003 20 5 DEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827977204 649114428 /nfs/dbraw/zinc/11/44/28/649114428.db2.gz AHEQMIFWMCFMAY-QXSJWSMHSA-N 1 1 315.373 2.003 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000831165792 649547398 /nfs/dbraw/zinc/54/73/98/649547398.db2.gz MZLFRDJWVHCBQX-YLFCFFPRSA-N 1 1 320.389 2.254 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000832348906 649700241 /nfs/dbraw/zinc/70/02/41/649700241.db2.gz UASPVTYITJKNNG-HZPDHXFCSA-N 1 1 306.362 2.131 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1F ZINC000847255845 651384704 /nfs/dbraw/zinc/38/47/04/651384704.db2.gz MPNDFNHIUVEKSS-HUUCEWRRSA-N 1 1 321.352 2.481 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848480987 651461824 /nfs/dbraw/zinc/46/18/24/651461824.db2.gz UCTFFURDUNBQMF-DOMZBBRYSA-N 1 1 303.362 2.353 20 5 DEBDMO C[C@H](O[NH+]=C(N)[C@H]1C[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000848517637 651465914 /nfs/dbraw/zinc/46/59/14/651465914.db2.gz HBNACICHFSZIHU-PTRXPTGYSA-N 1 1 306.322 2.076 20 5 DEBDMO CC1(C)CC[C@H](CO)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000856803986 651988744 /nfs/dbraw/zinc/98/87/44/651988744.db2.gz OKZFAJZBTQIDBT-HUUCEWRRSA-N 1 1 308.378 2.111 20 5 DEBDMO CO[C@@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC000851869307 652266267 /nfs/dbraw/zinc/26/62/67/652266267.db2.gz CSEYSZHQNFGYIQ-BBRMVZONSA-N 1 1 306.362 2.004 20 5 DEBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1CCO ZINC000852458786 652403753 /nfs/dbraw/zinc/40/37/53/652403753.db2.gz LMHBQXRFCRMTMF-UHOFOFEASA-N 1 1 308.378 2.111 20 5 DEBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1CCO ZINC000852462968 652404364 /nfs/dbraw/zinc/40/43/64/652404364.db2.gz SAQPBDWLIBTAMD-FZMZJTMJSA-N 1 1 323.349 2.486 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000853584593 652572741 /nfs/dbraw/zinc/57/27/41/652572741.db2.gz KVMRCLVEXQWPLT-OAHLLOKOSA-N 1 1 315.377 2.268 20 5 DEBDMO Cc1nn(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000853584593 652572742 /nfs/dbraw/zinc/57/27/42/652572742.db2.gz KVMRCLVEXQWPLT-OAHLLOKOSA-N 1 1 315.377 2.268 20 5 DEBDMO C[N@H+](C[C@@H]1CC1(C)C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000853628186 652581055 /nfs/dbraw/zinc/58/10/55/652581055.db2.gz OXFZKCBHBAARLC-QMMMGPOBSA-N 1 1 317.187 2.489 20 5 DEBDMO C[N@@H+](C[C@@H]1CC1(C)C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000853628186 652581058 /nfs/dbraw/zinc/58/10/58/652581058.db2.gz OXFZKCBHBAARLC-QMMMGPOBSA-N 1 1 317.187 2.489 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000160431579 684327900 /nfs/dbraw/zinc/32/79/00/684327900.db2.gz HBFNTVHIXQHFOI-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000160431579 684327906 /nfs/dbraw/zinc/32/79/06/684327906.db2.gz HBFNTVHIXQHFOI-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1ccc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000929118805 693899642 /nfs/dbraw/zinc/89/96/42/693899642.db2.gz SKADROZYPRNQMT-BXUZGUMPSA-N 1 1 304.350 2.071 20 5 DEBDMO C[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000245699893 685116351 /nfs/dbraw/zinc/11/63/51/685116351.db2.gz CFHQUGQARBBKFY-GHMZBOCLSA-N 1 1 305.334 2.438 20 5 DEBDMO C[C@@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000245699893 685116356 /nfs/dbraw/zinc/11/63/56/685116356.db2.gz CFHQUGQARBBKFY-GHMZBOCLSA-N 1 1 305.334 2.438 20 5 DEBDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[N+](=O)[O-] ZINC000929455103 693958871 /nfs/dbraw/zinc/95/88/71/693958871.db2.gz CAPKPBDMGVGEJI-UHFFFAOYSA-N 1 1 306.341 2.357 20 5 DEBDMO CC(C)Oc1cc(C(=O)OCC[NH+]2CCC2)ccc1[N+](=O)[O-] ZINC000861390144 686074034 /nfs/dbraw/zinc/07/40/34/686074034.db2.gz ACUOUCHTOHHCDB-UHFFFAOYSA-N 1 1 308.334 2.245 20 5 DEBDMO C[C@@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929788500 694027895 /nfs/dbraw/zinc/02/78/95/694027895.db2.gz NQEMDLDYCHEPII-GFCCVEGCSA-N 1 1 315.167 2.314 20 5 DEBDMO C[C@@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929788500 694027901 /nfs/dbraw/zinc/02/79/01/694027901.db2.gz NQEMDLDYCHEPII-GFCCVEGCSA-N 1 1 315.167 2.314 20 5 DEBDMO C[C@@H]1CC[C@@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]1 ZINC000863545235 686518912 /nfs/dbraw/zinc/51/89/12/686518912.db2.gz MHRSHTMGUAYBGY-UKRRQHHQSA-N 1 1 318.421 2.294 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000929802767 694031214 /nfs/dbraw/zinc/03/12/14/694031214.db2.gz JYMGCGUYNJYXGX-CQSZACIVSA-N 1 1 303.362 2.357 20 5 DEBDMO CC[NH2+][C@H](C)c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000863664029 686545352 /nfs/dbraw/zinc/54/53/52/686545352.db2.gz PTSLHMKVDUSTGJ-SECBINFHSA-N 1 1 306.322 2.248 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000864880154 686872237 /nfs/dbraw/zinc/87/22/37/686872237.db2.gz SBKMXELIIDARNJ-LBPRGKRZSA-N 1 1 323.368 2.125 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865032572 686920010 /nfs/dbraw/zinc/92/00/10/686920010.db2.gz BBYPRCJEPSJLOK-LBPRGKRZSA-N 1 1 323.368 2.123 20 5 DEBDMO CCc1[nH+]c(C)cn1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000865392750 687196349 /nfs/dbraw/zinc/19/63/49/687196349.db2.gz HXHJEAPZZDGQFJ-UHFFFAOYSA-N 1 1 318.333 2.309 20 5 DEBDMO O=[N+]([O-])c1cc(CO)c(NC[C@@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000865439383 687211244 /nfs/dbraw/zinc/21/12/44/687211244.db2.gz RBBIRQZJZCBUMF-JTQLQIEISA-N 1 1 309.341 2.122 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CCNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865443968 687213907 /nfs/dbraw/zinc/21/39/07/687213907.db2.gz PRSCSTPHSWDLCS-LLVKDONJSA-N 1 1 311.357 2.370 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2c(Cl)cncc2Cl)c1 ZINC000865495970 687234930 /nfs/dbraw/zinc/23/49/30/687234930.db2.gz OMCCYPCOCDFXRL-UHFFFAOYSA-N 1 1 316.148 2.283 20 5 DEBDMO C[C@H]1C[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C[N@H+]1C1CC1 ZINC000865600266 687272876 /nfs/dbraw/zinc/27/28/76/687272876.db2.gz ILPUGLRZRUAKIP-ONGXEEELSA-N 1 1 309.341 2.263 20 5 DEBDMO O=[N+]([O-])c1cc(CO)c(N[C@H]2CCC[N@H+](CCF)C2)cc1F ZINC000865928229 687382261 /nfs/dbraw/zinc/38/22/61/687382261.db2.gz UNNWHZJFNFAQGX-NSHDSACASA-N 1 1 315.320 2.072 20 5 DEBDMO O=[N+]([O-])c1cc(CO)c(N[C@H]2CCC[N@@H+](CCF)C2)cc1F ZINC000865928229 687382264 /nfs/dbraw/zinc/38/22/64/687382264.db2.gz UNNWHZJFNFAQGX-NSHDSACASA-N 1 1 315.320 2.072 20 5 DEBDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000866193985 687486497 /nfs/dbraw/zinc/48/64/97/687486497.db2.gz FQHSKGWYMRMBQY-CYBMUJFWSA-N 1 1 300.318 2.294 20 5 DEBDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000866193985 687486499 /nfs/dbraw/zinc/48/64/99/687486499.db2.gz FQHSKGWYMRMBQY-CYBMUJFWSA-N 1 1 300.318 2.294 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866205049 687491183 /nfs/dbraw/zinc/49/11/83/687491183.db2.gz JJPNFEDYSARREU-WFASDCNBSA-N 1 1 305.378 2.272 20 5 DEBDMO COc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])cc1C ZINC000866210140 687493497 /nfs/dbraw/zinc/49/34/97/687493497.db2.gz YIFGLMGTDXIRBW-QWHCGFSZSA-N 1 1 305.378 2.442 20 5 DEBDMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930483514 694171925 /nfs/dbraw/zinc/17/19/25/694171925.db2.gz WUACENPLMOFILH-GFCCVEGCSA-N 1 1 301.387 2.032 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000871150081 688735532 /nfs/dbraw/zinc/73/55/32/688735532.db2.gz JVTJXVDHICHKAS-UHFFFAOYSA-N 1 1 305.378 2.460 20 5 DEBDMO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047206 688919212 /nfs/dbraw/zinc/91/92/12/688919212.db2.gz CNUUYENPFMRGHE-ZJUUUORDSA-N 1 1 307.325 2.148 20 5 DEBDMO Cc1c(CNC[C@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000873009204 689140042 /nfs/dbraw/zinc/14/00/42/689140042.db2.gz ZATMTGFENJDOCW-INIZCTEOSA-N 1 1 321.421 2.350 20 5 DEBDMO Cc1c(CNC[C@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000873009204 689140046 /nfs/dbraw/zinc/14/00/46/689140046.db2.gz ZATMTGFENJDOCW-INIZCTEOSA-N 1 1 321.421 2.350 20 5 DEBDMO Cc1c(C[NH2+]CC(C)(C)N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000873011141 689140755 /nfs/dbraw/zinc/14/07/55/689140755.db2.gz TZRHNSOSWICDBA-UHFFFAOYSA-N 1 1 320.437 2.019 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000874837505 689511791 /nfs/dbraw/zinc/51/17/91/689511791.db2.gz KMORWANVOZPQHH-QWHCGFSZSA-N 1 1 307.325 2.043 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000874840303 689513045 /nfs/dbraw/zinc/51/30/45/689513045.db2.gz MDFYCVQVRQDJAX-KGLIPLIRSA-N 1 1 307.325 2.043 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931195250 694337296 /nfs/dbraw/zinc/33/72/96/694337296.db2.gz VIFGOGSHWAXPAQ-LLVKDONJSA-N 1 1 316.361 2.462 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931195250 694337299 /nfs/dbraw/zinc/33/72/99/694337299.db2.gz VIFGOGSHWAXPAQ-LLVKDONJSA-N 1 1 316.361 2.462 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000877471802 690123907 /nfs/dbraw/zinc/12/39/07/690123907.db2.gz AZAMEFGKZCNKOJ-AWEZNQCLSA-N 1 1 317.389 2.408 20 5 DEBDMO COC[C@]1(C)C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CCO1 ZINC000877662775 690182463 /nfs/dbraw/zinc/18/24/63/690182463.db2.gz YBKALRYVEHVDSD-INIZCTEOSA-N 1 1 308.378 2.449 20 5 DEBDMO COC[C@]1(C)C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CCO1 ZINC000877662775 690182465 /nfs/dbraw/zinc/18/24/65/690182465.db2.gz YBKALRYVEHVDSD-INIZCTEOSA-N 1 1 308.378 2.449 20 5 DEBDMO O=[N+]([O-])c1ccccc1CN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286964 694357618 /nfs/dbraw/zinc/35/76/18/694357618.db2.gz ZQAJXEDIXHXXGJ-UHFFFAOYSA-N 1 1 319.405 2.282 20 5 DEBDMO C[C@@H]1[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000931297333 694359531 /nfs/dbraw/zinc/35/95/31/694359531.db2.gz IBBSRMWTPHGUML-BDAKNGLRSA-N 1 1 312.757 2.462 20 5 DEBDMO COc1ccc(OCC[N@H+]2C[C@H](OC)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000879320680 690618515 /nfs/dbraw/zinc/61/85/15/690618515.db2.gz KYCJNOHBTSQXHA-GXTWGEPZSA-N 1 1 324.377 2.482 20 5 DEBDMO NC(=O)[C@H](C1CC1)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CC1 ZINC000879490366 690653132 /nfs/dbraw/zinc/65/31/32/690653132.db2.gz ZQZLXWDZCFDZNH-HNNXBMFYSA-N 1 1 321.352 2.210 20 5 DEBDMO NC(=O)[C@H](C1CC1)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CC1 ZINC000879490366 690653134 /nfs/dbraw/zinc/65/31/34/690653134.db2.gz ZQZLXWDZCFDZNH-HNNXBMFYSA-N 1 1 321.352 2.210 20 5 DEBDMO CC1(C)C[C@@H](O)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000879617382 690688220 /nfs/dbraw/zinc/68/82/20/690688220.db2.gz JTHOYNYREWJQMW-CQSZACIVSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879621327 690691099 /nfs/dbraw/zinc/69/10/99/690691099.db2.gz VREXXGIKUKOKCF-RISCZKNCSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879621327 690691102 /nfs/dbraw/zinc/69/11/02/690691102.db2.gz VREXXGIKUKOKCF-RISCZKNCSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@@]1(C(F)(F)F)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000880002936 690778165 /nfs/dbraw/zinc/77/81/65/690778165.db2.gz ULVCRWONFAKDPI-GFCCVEGCSA-N 1 1 319.283 2.031 20 5 DEBDMO CCOC(=O)CC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885951986 691969650 /nfs/dbraw/zinc/96/96/50/691969650.db2.gz TXLVYIAGBRBUBP-UHFFFAOYSA-N 1 1 307.350 2.155 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000886114841 692006159 /nfs/dbraw/zinc/00/61/59/692006159.db2.gz YPEGJGIJURYLIH-UHFFFAOYSA-N 1 1 313.313 2.497 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000886138489 692009976 /nfs/dbraw/zinc/00/99/76/692009976.db2.gz LJJINCWPEGCQMO-UHFFFAOYSA-N 1 1 309.391 2.088 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000886212875 692025187 /nfs/dbraw/zinc/02/51/87/692025187.db2.gz HHVDIHWIMBAZNJ-KRWDZBQOSA-N 1 1 313.357 2.126 20 5 DEBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000886589335 692120140 /nfs/dbraw/zinc/12/01/40/692120140.db2.gz RCFGXVQAPLXTLA-INIZCTEOSA-N 1 1 319.405 2.326 20 5 DEBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000886590758 692121298 /nfs/dbraw/zinc/12/12/98/692121298.db2.gz DBKODSIRSLXJEW-GFCCVEGCSA-N 1 1 311.407 2.459 20 5 DEBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000886590758 692121302 /nfs/dbraw/zinc/12/13/02/692121302.db2.gz DBKODSIRSLXJEW-GFCCVEGCSA-N 1 1 311.407 2.459 20 5 DEBDMO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000886620634 692135833 /nfs/dbraw/zinc/13/58/33/692135833.db2.gz OOLMTTMQZIHARR-JQWIXIFHSA-N 1 1 318.299 2.493 20 5 DEBDMO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000886620634 692135835 /nfs/dbraw/zinc/13/58/35/692135835.db2.gz OOLMTTMQZIHARR-JQWIXIFHSA-N 1 1 318.299 2.493 20 5 DEBDMO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000887401492 692354920 /nfs/dbraw/zinc/35/49/20/692354920.db2.gz XBSDMUXNRRSPSI-WBMJQRKESA-N 1 1 317.389 2.441 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c1C ZINC000889716193 692770453 /nfs/dbraw/zinc/77/04/53/692770453.db2.gz OEFCWMRFMCKLKO-RYUDHWBXSA-N 1 1 305.378 2.376 20 5 DEBDMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925252410 693247254 /nfs/dbraw/zinc/24/72/54/693247254.db2.gz KKHQAZDFZMCDJL-SUNKGSAMSA-N 1 1 306.366 2.048 20 5 DEBDMO Cc1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001335428483 1150414216 /nfs/dbraw/zinc/41/42/16/1150414216.db2.gz LQTRSYXGWFIFQD-UHFFFAOYSA-N 1 1 300.318 2.350 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001348788856 1151195165 /nfs/dbraw/zinc/19/51/65/1151195165.db2.gz JGDPIUUKMPWWLA-UHFFFAOYSA-N 1 1 320.393 2.193 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC001353285534 1151821468 /nfs/dbraw/zinc/82/14/68/1151821468.db2.gz ODADPSNKRKPDOD-TVYUQYBPSA-N 1 1 323.780 2.318 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1C ZINC001332758429 1149889096 /nfs/dbraw/zinc/88/90/96/1149889096.db2.gz XNTKTDLLQDOAHL-SMDDNHRTSA-N 1 1 317.389 2.424 20 5 DEBDMO CCN(CC(C)(C)O)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001167156662 776732767 /nfs/dbraw/zinc/73/27/67/776732767.db2.gz OHQOGXVVCIXEEJ-BQYQJAHWSA-N 1 1 308.382 2.119 20 5 DEBDMO CCC1(CNc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)COC1 ZINC001168330383 780845587 /nfs/dbraw/zinc/84/55/87/780845587.db2.gz GVAYTGFTFDRSIY-UHFFFAOYSA-N 1 1 305.378 2.421 20 5 DEBDMO CCC1(CNc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)COC1 ZINC001168330383 780845591 /nfs/dbraw/zinc/84/55/91/780845591.db2.gz GVAYTGFTFDRSIY-UHFFFAOYSA-N 1 1 305.378 2.421 20 5 DEBDMO C[N@@H+]1CCCC[C@@H]1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000745079803 784673008 /nfs/dbraw/zinc/67/30/08/784673008.db2.gz PJIDWTUJYASRII-CQSZACIVSA-N 1 1 308.334 2.001 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000745079803 784673013 /nfs/dbraw/zinc/67/30/13/784673013.db2.gz PJIDWTUJYASRII-CQSZACIVSA-N 1 1 308.334 2.001 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCN(Cc3ccncc3)CC2)C1 ZINC001169008225 785001675 /nfs/dbraw/zinc/00/16/75/785001675.db2.gz SDVPONCIQJUTCB-IRXDYDNUSA-N 1 1 318.421 2.035 20 5 DEBDMO CN1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001169008552 785001829 /nfs/dbraw/zinc/00/18/29/785001829.db2.gz SQXANKWVXCOURJ-OIISXLGYSA-N 1 1 303.406 2.421 20 5 DEBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@@]1(O)C(F)(F)F ZINC001169011953 785003468 /nfs/dbraw/zinc/00/34/68/785003468.db2.gz NWROLUUCBNSUPX-XQHKEYJVSA-N 1 1 324.343 2.457 20 5 DEBDMO O=C1Nc2ccccc2[C@]12CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169024849 785018642 /nfs/dbraw/zinc/01/86/42/785018642.db2.gz RNVPKHVBCHYTIO-GDZNZVCISA-N 1 1 315.373 2.028 20 5 DEBDMO COc1ccc(C[C@@H](C)[NH2+]Cc2nnc(C)o2)c([N+](=O)[O-])c1 ZINC001170325996 786909241 /nfs/dbraw/zinc/90/92/41/786909241.db2.gz ZVYDSVOHURGRSY-SECBINFHSA-N 1 1 306.322 2.016 20 5 DEBDMO COc1ccc(C[C@H](C)N2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170352886 786916745 /nfs/dbraw/zinc/91/67/45/786916745.db2.gz SYCAKOQMBITXTM-QWHCGFSZSA-N 1 1 307.394 2.170 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+](C2CC2)C2COC2)c([N+](=O)[O-])c1 ZINC001170353177 786917583 /nfs/dbraw/zinc/91/75/83/786917583.db2.gz XGGYUXRLEAMXRS-NSHDSACASA-N 1 1 306.362 2.398 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+](C2CC2)C2COC2)c([N+](=O)[O-])c1 ZINC001170353177 786917587 /nfs/dbraw/zinc/91/75/87/786917587.db2.gz XGGYUXRLEAMXRS-NSHDSACASA-N 1 1 306.362 2.398 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@]23CCOC3)c([N+](=O)[O-])c1 ZINC001170351539 786932123 /nfs/dbraw/zinc/93/21/23/786932123.db2.gz CXNYRNQMVNDUMD-BLLLJJGKSA-N 1 1 306.362 2.399 20 5 DEBDMO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101829356 793400221 /nfs/dbraw/zinc/40/02/21/793400221.db2.gz KISXOTMTVMSSDE-UHFFFAOYSA-N 1 1 322.409 2.195 20 5 DEBDMO NC(=O)[C@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904755 793523516 /nfs/dbraw/zinc/52/35/16/793523516.db2.gz AGJYISKHLWGFSY-GJZGRUSLSA-N 1 1 317.389 2.040 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@@H](F)C[C@H]1CO)CC2 ZINC001172910412 793542431 /nfs/dbraw/zinc/54/24/31/793542431.db2.gz ZFHRLVGNXQORBX-DZKIICNBSA-N 1 1 308.353 2.247 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001173221552 793638081 /nfs/dbraw/zinc/63/80/81/793638081.db2.gz KDORAGKJVVGFSS-CQDKDKBSSA-N 1 1 314.332 2.270 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001173221552 793638088 /nfs/dbraw/zinc/63/80/88/793638088.db2.gz KDORAGKJVVGFSS-CQDKDKBSSA-N 1 1 314.332 2.270 20 5 DEBDMO COC(=O)[C@H]1CCC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173226194 793642903 /nfs/dbraw/zinc/64/29/03/793642903.db2.gz LHPDJCFGJAYTGQ-JSGCOSHPSA-N 1 1 306.362 2.411 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001173233707 793645704 /nfs/dbraw/zinc/64/57/04/793645704.db2.gz MFYULDRTWBODNL-JSGCOSHPSA-N 1 1 307.369 2.254 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001173238171 793655520 /nfs/dbraw/zinc/65/55/20/793655520.db2.gz OJIMLZDEDLGOIX-BBRMVZONSA-N 1 1 317.389 2.223 20 5 DEBDMO C[C@@H](NC(=O)[C@@H]1[NH2+]CCc2occc21)c1ccc([N+](=O)[O-])cc1 ZINC001122252445 795740650 /nfs/dbraw/zinc/74/06/50/795740650.db2.gz RPSQNLYVNBKKCW-MEBBXXQBSA-N 1 1 315.329 2.252 20 5 DEBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)[N@H+]1CCC[C@H](C)C1 ZINC001141643203 796682216 /nfs/dbraw/zinc/68/22/16/796682216.db2.gz LGNWULFCDMDZEP-NWDGAFQWSA-N 1 1 320.393 2.027 20 5 DEBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001157022278 798128946 /nfs/dbraw/zinc/12/89/46/798128946.db2.gz VWKLLMIXPJBQLG-GFCCVEGCSA-N 1 1 315.377 2.457 20 5 DEBDMO O=[N+]([O-])c1c(Cl)ccnc1NCC[NH+]1CCSCC1 ZINC001157044413 798132930 /nfs/dbraw/zinc/13/29/30/798132930.db2.gz UVKYEZFKTZNKGL-UHFFFAOYSA-N 1 1 302.787 2.104 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC001157262769 798172424 /nfs/dbraw/zinc/17/24/24/798172424.db2.gz YLUZURHFONCDPM-XHDPSFHLSA-N 1 1 313.361 2.068 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)nc1Cl ZINC001157265614 798173663 /nfs/dbraw/zinc/17/36/63/798173663.db2.gz KBMKJPKXNXTXIQ-PWSUYJOCSA-N 1 1 310.785 2.482 20 5 DEBDMO CCC[N@@H+]1C[C@H]2CN(c3nc(C)cc(C)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157693190 798260571 /nfs/dbraw/zinc/26/05/71/798260571.db2.gz WYKZQAWZPSNRSP-OKILXGFUSA-N 1 1 304.394 2.385 20 5 DEBDMO CC[N@H+]1CCN(c2ncnc3cc([N+](=O)[O-])ccc32)C(C)(C)C1 ZINC001158562703 798429587 /nfs/dbraw/zinc/42/95/87/798429587.db2.gz HTWCAFFXGJCSOF-UHFFFAOYSA-N 1 1 315.377 2.459 20 5 DEBDMO Nc1nc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001161186767 798808135 /nfs/dbraw/zinc/80/81/35/798808135.db2.gz RGRGVXYKCAUQQC-LBPRGKRZSA-N 1 1 305.382 2.248 20 5 DEBDMO Cn1cc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001162032498 798998987 /nfs/dbraw/zinc/99/89/87/798998987.db2.gz QMOQMXFIGSCXKN-UHFFFAOYSA-N 1 1 315.377 2.041 20 5 DEBDMO C[N@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC001163672964 799403614 /nfs/dbraw/zinc/40/36/14/799403614.db2.gz RDCNDUVJCIDDIZ-HNNXBMFYSA-N 1 1 313.361 2.065 20 5 DEBDMO C[NH+](C)/C=C/c1cc(N2CC[C@]3(CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165255738 799687814 /nfs/dbraw/zinc/68/78/14/799687814.db2.gz XTEDPKKIJLXUHT-GIZXNFQBSA-N 1 1 318.377 2.139 20 5 DEBDMO Cc1csc(C[C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000933135496 800019698 /nfs/dbraw/zinc/01/96/98/800019698.db2.gz VPJAHSALDHMQFM-GFCCVEGCSA-N 1 1 321.406 2.121 20 5 DEBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000933756311 800179440 /nfs/dbraw/zinc/17/94/40/800179440.db2.gz SGTAYKSQHGPHJN-NHYWBVRUSA-N 1 1 323.780 2.336 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934120462 800267615 /nfs/dbraw/zinc/26/76/15/800267615.db2.gz WYODEDSTOQVRQR-UONOGXRCSA-N 1 1 307.350 2.033 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934120463 800267755 /nfs/dbraw/zinc/26/77/55/800267755.db2.gz WYODEDSTOQVRQR-ZIAGYGMSSA-N 1 1 307.350 2.033 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000934121081 800268212 /nfs/dbraw/zinc/26/82/12/800268212.db2.gz JWKGZZQGQBDORK-ZLKJLUDKSA-N 1 1 307.350 2.031 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000934121081 800268217 /nfs/dbraw/zinc/26/82/17/800268217.db2.gz JWKGZZQGQBDORK-ZLKJLUDKSA-N 1 1 307.350 2.031 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000935915286 800797550 /nfs/dbraw/zinc/79/75/50/800797550.db2.gz JLPNEMISFUGNPH-MRXNPFEDSA-N 1 1 319.405 2.469 20 5 DEBDMO COC(=O)c1c(O[C@@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001229043698 801214016 /nfs/dbraw/zinc/21/40/16/801214016.db2.gz ACQLSRLQWYCCBJ-LLVKDONJSA-N 1 1 308.334 2.243 20 5 DEBDMO C[N@H+]1CCC[C@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)CC1 ZINC001229365120 801264740 /nfs/dbraw/zinc/26/47/40/801264740.db2.gz RIPSACJJCTVIRA-NSHDSACASA-N 1 1 318.333 2.107 20 5 DEBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001229962183 801342200 /nfs/dbraw/zinc/34/22/00/801342200.db2.gz RPSGEEFGFZMKKD-PCTYZZJISA-N 1 1 310.737 2.431 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001229962183 801342208 /nfs/dbraw/zinc/34/22/08/801342208.db2.gz RPSGEEFGFZMKKD-PCTYZZJISA-N 1 1 310.737 2.431 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230231752 801373768 /nfs/dbraw/zinc/37/37/68/801373768.db2.gz RDZLLDNHPNURRG-SNVBAGLBSA-N 1 1 305.338 2.118 20 5 DEBDMO CC(=O)Cc1c(F)c(O[C@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001230793750 801495325 /nfs/dbraw/zinc/49/53/25/801495325.db2.gz DCYIOPJBHZGJHJ-HNNXBMFYSA-N 1 1 322.336 2.338 20 5 DEBDMO CCCC(=O)Nc1c(O[C@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC001231358626 801646048 /nfs/dbraw/zinc/64/60/48/801646048.db2.gz FOZCJCYRVYIAME-NSHDSACASA-N 1 1 307.350 2.416 20 5 DEBDMO O=[N+]([O-])c1ccc(O)cc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001225493722 802973906 /nfs/dbraw/zinc/97/39/06/802973906.db2.gz GGYSEDJIOQVNNI-XBXGTLAGSA-N 1 1 322.361 2.323 20 5 DEBDMO O=[N+]([O-])c1ccc2ncnc(OC3CC[NH+](CCF)CC3)c2c1 ZINC001226436054 803107488 /nfs/dbraw/zinc/10/74/88/803107488.db2.gz IBOQJIPGSXQQBC-UHFFFAOYSA-N 1 1 320.324 2.351 20 5 DEBDMO CC(C)(C)[NH+]1CC(Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228241404 803335280 /nfs/dbraw/zinc/33/52/80/803335280.db2.gz AXILTVBGNQRNHA-UHFFFAOYSA-N 1 1 318.333 2.105 20 5 DEBDMO O=[N+]([O-])c1cncnc1O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001228658565 803388654 /nfs/dbraw/zinc/38/86/54/803388654.db2.gz YIUKGMWGSBMRDV-AWEZNQCLSA-N 1 1 314.345 2.428 20 5 DEBDMO C[N@H+]1CCC[C@@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228802054 803415934 /nfs/dbraw/zinc/41/59/34/803415934.db2.gz DIEICKXKFKVEJT-SNVBAGLBSA-N 1 1 304.302 2.174 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001331230721 1149400355 /nfs/dbraw/zinc/40/03/55/1149400355.db2.gz UTAXDFGODXWBMO-NSHDSACASA-N 1 1 320.393 2.239 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@]12CC[N@@H+](C1)CCC2 ZINC001346338960 1150971980 /nfs/dbraw/zinc/97/19/80/1150971980.db2.gz RDOFRLBMGNJHNN-INIZCTEOSA-N 1 1 319.361 2.279 20 5 DEBDMO CO[C@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCOC1 ZINC001350365446 1151348891 /nfs/dbraw/zinc/34/88/91/1151348891.db2.gz STJKPBJMMYEKAP-CZUORRHYSA-N 1 1 306.362 2.004 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001328454638 1148796696 /nfs/dbraw/zinc/79/66/96/1148796696.db2.gz HILZUFPVPLYIPX-GFCCVEGCSA-N 1 1 320.393 2.050 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001456228808 1057831716 /nfs/dbraw/zinc/83/17/16/1057831716.db2.gz JBTZSGWTCOOONF-CQSZACIVSA-N 1 1 323.368 2.123 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001457415772 1057979722 /nfs/dbraw/zinc/97/97/22/1057979722.db2.gz RINOOCDNYOEMQM-HNNXBMFYSA-N 1 1 319.405 2.425 20 5 DEBDMO CC(C)[N@@H+](C)CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001472590609 1060547997 /nfs/dbraw/zinc/54/79/97/1060547997.db2.gz HJYGAEQPIYKEOV-UHFFFAOYSA-N 1 1 317.349 2.264 20 5 DEBDMO CN(CC(C)(C)C[NH2+]CCC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001505811449 1060988819 /nfs/dbraw/zinc/98/88/19/1060988819.db2.gz HCFOJJBRVRRBKR-CHWSQXEVSA-N 1 1 313.442 2.162 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001626679068 1078260183 /nfs/dbraw/zinc/26/01/83/1078260183.db2.gz QHRFTAIRFKCREY-VXGBXAGGSA-N 1 1 320.393 2.027 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000044564351 1078341516 /nfs/dbraw/zinc/34/15/16/1078341516.db2.gz AXADXCDACPBAFJ-NSHDSACASA-N 1 1 311.769 2.462 20 5 DEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001635401485 1078450096 /nfs/dbraw/zinc/45/00/96/1078450096.db2.gz XXAUSZBRODJZDK-TXEJJXNPSA-N 1 1 323.780 2.096 20 5 DEBDMO CC[N@H+]1CCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC001638148539 1078551317 /nfs/dbraw/zinc/55/13/17/1078551317.db2.gz FMNCBCGAIVQANQ-CHWSQXEVSA-N 1 1 320.393 2.391 20 5 DEBDMO Cc1[nH]c(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001638892841 1078585662 /nfs/dbraw/zinc/58/56/62/1078585662.db2.gz KAIXHZOTZJOXPF-SECBINFHSA-N 1 1 302.334 2.355 20 5 DEBDMO CC(C)Oc1nc(N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC001643180261 1078788470 /nfs/dbraw/zinc/78/84/70/1078788470.db2.gz PVUUQFYMHOKSDL-QWHCGFSZSA-N 1 1 320.393 2.450 20 5 DEBDMO C[C@H](c1ccccc1)[NH+]1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001643112389 1078785071 /nfs/dbraw/zinc/78/50/71/1078785071.db2.gz VIMNMEPHRPXVFH-CYBMUJFWSA-N 1 1 315.377 2.212 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001520293200 1069117048 /nfs/dbraw/zinc/11/70/48/1069117048.db2.gz IIDUPZZAVDYXSO-NSHDSACASA-N 1 1 322.365 2.067 20 5 DEBDMO Cc1c(CC(=O)NC[C@@]23CC[N@@H+](C2)CCC3)cccc1[N+](=O)[O-] ZINC001520323569 1069119568 /nfs/dbraw/zinc/11/95/68/1069119568.db2.gz JUCVKIIWDGYDCY-QGZVFWFLSA-N 1 1 317.389 2.048 20 5 DEBDMO Cc1[nH]c(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001645073026 1078874943 /nfs/dbraw/zinc/87/49/43/1078874943.db2.gz ORWFWOZTSOMBSD-UHFFFAOYSA-N 1 1 322.752 2.447 20 5 DEBDMO CC(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272670560 1079101764 /nfs/dbraw/zinc/10/17/64/1079101764.db2.gz VGEWBXZWFUOFTN-HZPDHXFCSA-N 1 1 319.405 2.056 20 5 DEBDMO CC(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001272670560 1079101766 /nfs/dbraw/zinc/10/17/66/1079101766.db2.gz VGEWBXZWFUOFTN-HZPDHXFCSA-N 1 1 319.405 2.056 20 5 DEBDMO CC(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001272670560 1079101772 /nfs/dbraw/zinc/10/17/72/1079101772.db2.gz VGEWBXZWFUOFTN-HZPDHXFCSA-N 1 1 319.405 2.056 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC001648297025 1074991963 /nfs/dbraw/zinc/99/19/63/1074991963.db2.gz OGDYULQKNXNDNU-CYBMUJFWSA-N 1 1 305.378 2.378 20 5 DEBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(F)(F)CC1 ZINC001609599829 1077881114 /nfs/dbraw/zinc/88/11/14/1077881114.db2.gz CRCHMZORLHCBFX-UHFFFAOYSA-N 1 1 324.291 2.006 20 5 DEBDMO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CC[N@@H+](C)[C@@H]3C)c2c1 ZINC001652248915 1079860655 /nfs/dbraw/zinc/86/06/55/1079860655.db2.gz WKYMFEHEAJZJEL-ZWNOBZJWSA-N 1 1 316.361 2.078 20 5 DEBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@@H](CO)CCF ZINC001658218271 1080202017 /nfs/dbraw/zinc/20/20/17/1080202017.db2.gz BSUDSCVTPKTFQX-MRVPVSSYSA-N 1 1 321.146 2.167 20 5 DEBDMO C[C@@H](CN1CCOCC1)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001658393116 1080207141 /nfs/dbraw/zinc/20/71/41/1080207141.db2.gz TZIYCEFRTGPSOS-OAHLLOKOSA-N 1 1 321.421 2.037 20 5 DEBDMO C[N@@H+](CCCCCO)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001658446400 1080208778 /nfs/dbraw/zinc/20/87/78/1080208778.db2.gz NWKBNHAOWGAZNV-UHFFFAOYSA-N 1 1 320.349 2.239 20 5 DEBDMO C[N@@H+](CCNC(=O)C1=CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001663162091 1080712179 /nfs/dbraw/zinc/71/21/79/1080712179.db2.gz HQEKFUUGEHRMCQ-UHFFFAOYSA-N 1 1 303.362 2.253 20 5 DEBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCCC1 ZINC001269604699 1081304744 /nfs/dbraw/zinc/30/47/44/1081304744.db2.gz IBGVEXLFJXYJKA-HUUCEWRRSA-N 1 1 311.426 2.203 20 5 DEBDMO CCC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCCC1 ZINC001269604699 1081304748 /nfs/dbraw/zinc/30/47/48/1081304748.db2.gz IBGVEXLFJXYJKA-HUUCEWRRSA-N 1 1 311.426 2.203 20 5 DEBDMO CCC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCCC1 ZINC001269604699 1081304753 /nfs/dbraw/zinc/30/47/53/1081304753.db2.gz IBGVEXLFJXYJKA-HUUCEWRRSA-N 1 1 311.426 2.203 20 5 DEBDMO COC[C@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC000691322093 1083620910 /nfs/dbraw/zinc/62/09/10/1083620910.db2.gz BXOOHCJWXAHEGK-LBPRGKRZSA-N 1 1 302.758 2.341 20 5 DEBDMO COC[C@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC000691322093 1083620914 /nfs/dbraw/zinc/62/09/14/1083620914.db2.gz BXOOHCJWXAHEGK-LBPRGKRZSA-N 1 1 302.758 2.341 20 5 DEBDMO NC(=O)[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCN1 ZINC001235753699 1084517850 /nfs/dbraw/zinc/51/78/50/1084517850.db2.gz BDSXROAZJNOCGF-LJQANCHMSA-N 1 1 319.408 2.252 20 5 DEBDMO CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001318953199 1140476252 /nfs/dbraw/zinc/47/62/52/1140476252.db2.gz OEAYPAWRTDYYSG-PKMNNKDVSA-N 1 1 309.410 2.025 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001323486610 1141857981 /nfs/dbraw/zinc/85/79/81/1141857981.db2.gz FICWHFKXMNXNQG-COXVUDFISA-N 1 1 321.421 2.290 20 5 DEBDMO CCN1CC[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001323486610 1141857990 /nfs/dbraw/zinc/85/79/90/1141857990.db2.gz FICWHFKXMNXNQG-COXVUDFISA-N 1 1 321.421 2.290 20 5 DEBDMO CCN1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001323486610 1141857991 /nfs/dbraw/zinc/85/79/91/1141857991.db2.gz FICWHFKXMNXNQG-COXVUDFISA-N 1 1 321.421 2.290 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001323486612 1141858229 /nfs/dbraw/zinc/85/82/29/1141858229.db2.gz FICWHFKXMNXNQG-RRQGHBQHSA-N 1 1 321.421 2.290 20 5 DEBDMO CCN1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001323486612 1141858237 /nfs/dbraw/zinc/85/82/37/1141858237.db2.gz FICWHFKXMNXNQG-RRQGHBQHSA-N 1 1 321.421 2.290 20 5 DEBDMO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001323486612 1141858239 /nfs/dbraw/zinc/85/82/39/1141858239.db2.gz FICWHFKXMNXNQG-RRQGHBQHSA-N 1 1 321.421 2.290 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001336222968 1142381810 /nfs/dbraw/zinc/38/18/10/1142381810.db2.gz FSKKHAJXEUCIOV-ZDUSSCGKSA-N 1 1 319.405 2.473 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001251801336 1142513187 /nfs/dbraw/zinc/51/31/87/1142513187.db2.gz KNQFSVHMNGNQCY-UHFFFAOYSA-N 1 1 308.382 2.098 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001337463824 1142756901 /nfs/dbraw/zinc/75/69/01/1142756901.db2.gz AMDVPAITRPGWPF-HRCADAONSA-N 1 1 317.389 2.299 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001337558526 1142768297 /nfs/dbraw/zinc/76/82/97/1142768297.db2.gz RHVUDZLPDRMOCF-OAHLLOKOSA-N 1 1 305.378 2.128 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC001252748441 1142813503 /nfs/dbraw/zinc/81/35/03/1142813503.db2.gz MVWSRSNRAWSFAK-CQSZACIVSA-N 1 1 320.393 2.126 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)OCCCn1cc[nH+]c1C ZINC001253941867 1143006189 /nfs/dbraw/zinc/00/61/89/1143006189.db2.gz LKSOECAWQNBZCY-UHFFFAOYSA-N 1 1 318.333 2.389 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001254558228 1143245822 /nfs/dbraw/zinc/24/58/22/1143245822.db2.gz DWZHJMAAZLZYCR-DZGCQCFKSA-N 1 1 315.377 2.454 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001254567365 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Cc1c(CC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000269586711 186392303 /nfs/dbraw/zinc/39/23/03/186392303.db2.gz BPURMGHSERPRRW-NHYWBVRUSA-N 1 1 317.389 2.045 20 5 DEBDMO COc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)sn1 ZINC000595483529 358460994 /nfs/dbraw/zinc/46/09/94/358460994.db2.gz WAUISYXIGIXNAC-UHFFFAOYSA-N 1 1 323.378 2.094 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCS[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000173663864 198238371 /nfs/dbraw/zinc/23/83/71/198238371.db2.gz BQSBCABXAHSISJ-LLVKDONJSA-N 1 1 312.391 2.420 20 5 DEBDMO CC[N@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000595535985 358477521 /nfs/dbraw/zinc/47/75/21/358477521.db2.gz LIWTYPCAHYWOGT-LBPRGKRZSA-N 1 1 317.393 2.387 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000174662197 198367059 /nfs/dbraw/zinc/36/70/59/198367059.db2.gz NXAKCYRRFKEQEZ-MDZDMXLPSA-N 1 1 305.378 2.456 20 5 DEBDMO CCCC[N@@H+](CCCO)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000182149563 199393951 /nfs/dbraw/zinc/39/39/51/199393951.db2.gz LQPFBMDMLTUGQM-ZDUSSCGKSA-N 1 1 323.393 2.406 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000052293550 354400462 /nfs/dbraw/zinc/40/04/62/354400462.db2.gz ZOLSWJJLGRERIE-NSHDSACASA-N 1 1 317.349 2.160 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000055401012 354497036 /nfs/dbraw/zinc/49/70/36/354497036.db2.gz HTCANWJGSDNJLE-UONOGXRCSA-N 1 1 319.405 2.374 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000065440772 354683772 /nfs/dbraw/zinc/68/37/72/354683772.db2.gz OEIFQDMWYVKWGQ-AWEZNQCLSA-N 1 1 320.393 2.124 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000067683087 354773300 /nfs/dbraw/zinc/77/33/00/354773300.db2.gz OEIFQDMWYVKWGQ-CQSZACIVSA-N 1 1 320.393 2.124 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000072501360 354902782 /nfs/dbraw/zinc/90/27/82/354902782.db2.gz USQYTJOEEXKISL-CYBMUJFWSA-N 1 1 323.418 2.287 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072831232 354923554 /nfs/dbraw/zinc/92/35/54/354923554.db2.gz AIOIYTUCPWASJZ-MLGOLLRUSA-N 1 1 303.362 2.258 20 5 DEBDMO Cc1cnc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c([N+](=O)[O-])c1 ZINC000078626499 355271205 /nfs/dbraw/zinc/27/12/05/355271205.db2.gz MQQYQQOFKZXQIM-CYBMUJFWSA-N 1 1 308.382 2.067 20 5 DEBDMO C[N@@H+](CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000080138637 355348731 /nfs/dbraw/zinc/34/87/31/355348731.db2.gz LNVHJDODNABCJD-UHFFFAOYSA-N 1 1 320.393 2.223 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](CCO)C3)nc2c1 ZINC000083174068 355463783 /nfs/dbraw/zinc/46/37/83/355463783.db2.gz UJEOKUKJBAVHAF-LLVKDONJSA-N 1 1 305.334 2.330 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](CCO)C3)nc2c1 ZINC000083174068 355463787 /nfs/dbraw/zinc/46/37/87/355463787.db2.gz UJEOKUKJBAVHAF-LLVKDONJSA-N 1 1 305.334 2.330 20 5 DEBDMO C[C@H](O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000089928679 355547241 /nfs/dbraw/zinc/54/72/41/355547241.db2.gz WSHFNRKGHXOHPW-RWMBFGLXSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000089928679 355547243 /nfs/dbraw/zinc/54/72/43/355547243.db2.gz WSHFNRKGHXOHPW-RWMBFGLXSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000089931141 355548899 /nfs/dbraw/zinc/54/88/99/355548899.db2.gz WJMOWTBHMZTLAJ-AVGNSLFASA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000089931141 355548902 /nfs/dbraw/zinc/54/89/02/355548902.db2.gz WJMOWTBHMZTLAJ-AVGNSLFASA-N 1 1 321.377 2.015 20 5 DEBDMO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000108303199 355733460 /nfs/dbraw/zinc/73/34/60/355733460.db2.gz YBKSQWPUJAWWBK-ZDUSSCGKSA-N 1 1 303.362 2.117 20 5 DEBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134882730 355862798 /nfs/dbraw/zinc/86/27/98/355862798.db2.gz VTGOPPQAWZZBJV-CYBMUJFWSA-N 1 1 323.780 2.462 20 5 DEBDMO COCCO[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000179364081 356023418 /nfs/dbraw/zinc/02/34/18/356023418.db2.gz NGWHDQSROWUFOV-INIZCTEOSA-N 1 1 324.377 2.101 20 5 DEBDMO CCC[N@@H+](CC)CCNc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000080677926 192180725 /nfs/dbraw/zinc/18/07/25/192180725.db2.gz IEGLMPCWEQOMDW-UHFFFAOYSA-N 1 1 324.381 2.310 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000164231271 283163139 /nfs/dbraw/zinc/16/31/39/283163139.db2.gz RLXTZUDGQHLQAV-OCCSQVGLSA-N 1 1 303.362 2.151 20 5 DEBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000081290661 192245693 /nfs/dbraw/zinc/24/56/93/192245693.db2.gz DHRDPFWLBOIWBQ-GFCCVEGCSA-N 1 1 307.350 2.182 20 5 DEBDMO C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000319099763 356439625 /nfs/dbraw/zinc/43/96/25/356439625.db2.gz KFFHKUPBUQEWQH-JTQLQIEISA-N 1 1 301.350 2.433 20 5 DEBDMO Cc1c(-c2noc(CCc3c[nH+]cn3C)n2)cccc1[N+](=O)[O-] ZINC000351141599 356621575 /nfs/dbraw/zinc/62/15/75/356621575.db2.gz CWVDSCCAOMPEIV-UHFFFAOYSA-N 1 1 313.317 2.472 20 5 DEBDMO CCOc1cc(C[N@H+]2CC[C@H](OCCOC)C2)ccc1[N+](=O)[O-] ZINC000276904178 213165233 /nfs/dbraw/zinc/16/52/33/213165233.db2.gz MEIHDBCHHZMHIN-AWEZNQCLSA-N 1 1 324.377 2.231 20 5 DEBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000581114259 357132677 /nfs/dbraw/zinc/13/26/77/357132677.db2.gz KHEKSVXZVQYMBM-SGMGOOAPSA-N 1 1 305.378 2.297 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000584700409 357292862 /nfs/dbraw/zinc/29/28/62/357292862.db2.gz KDQRZEOAAGCCJW-SWLSCSKDSA-N 1 1 302.378 2.443 20 5 DEBDMO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000591581819 357739456 /nfs/dbraw/zinc/73/94/56/357739456.db2.gz WYDYISMVBXYCAR-DRZSPHRISA-N 1 1 311.357 2.344 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000179313356 199014266 /nfs/dbraw/zinc/01/42/66/199014266.db2.gz WDJQDYWNQOXUDA-HIFRSBDPSA-N 1 1 305.378 2.411 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000593189884 358031847 /nfs/dbraw/zinc/03/18/47/358031847.db2.gz BFUJOTZGTBRPKH-TUAOUCFPSA-N 1 1 323.368 2.216 20 5 DEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594201712 358222389 /nfs/dbraw/zinc/22/23/89/358222389.db2.gz PXFBCANQVAQHBN-HOTGVXAUSA-N 1 1 317.389 2.270 20 5 DEBDMO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000594417717 358263573 /nfs/dbraw/zinc/26/35/73/358263573.db2.gz FGLFZHGKKZTIMX-GJZGRUSLSA-N 1 1 319.361 2.047 20 5 DEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000594417717 358263576 /nfs/dbraw/zinc/26/35/76/358263576.db2.gz FGLFZHGKKZTIMX-GJZGRUSLSA-N 1 1 319.361 2.047 20 5 DEBDMO Cc1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000594995066 358375411 /nfs/dbraw/zinc/37/54/11/358375411.db2.gz YYHISPRNYKNYPG-INIZCTEOSA-N 1 1 319.405 2.246 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000595012102 358377808 /nfs/dbraw/zinc/37/78/08/358377808.db2.gz NQJNRJSHUDZPMG-NEPJUHHUSA-N 1 1 305.378 2.491 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000595012102 358377810 /nfs/dbraw/zinc/37/78/10/358377810.db2.gz NQJNRJSHUDZPMG-NEPJUHHUSA-N 1 1 305.378 2.491 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000595326669 358422962 /nfs/dbraw/zinc/42/29/62/358422962.db2.gz ODYDZNPBIKNBQW-OAHLLOKOSA-N 1 1 323.368 2.031 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000595326669 358422964 /nfs/dbraw/zinc/42/29/64/358422964.db2.gz ODYDZNPBIKNBQW-OAHLLOKOSA-N 1 1 323.368 2.031 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@]1(C)CO ZINC000595870533 358568555 /nfs/dbraw/zinc/56/85/55/358568555.db2.gz HGJJXXRFBLKUTL-ZUZCIYMTSA-N 1 1 305.334 2.186 20 5 DEBDMO 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20 5 DEBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000247458629 402567585 /nfs/dbraw/zinc/56/75/85/402567585.db2.gz QPVSIPLHDMAOTJ-HOMMJUPQSA-N 1 1 315.373 2.303 20 5 DEBDMO COc1cc(C[N@@H+](CC(C)(C)O)C2CC2)c([N+](=O)[O-])cc1F ZINC000189956521 402568405 /nfs/dbraw/zinc/56/84/05/402568405.db2.gz UDHWTHOMXOATPC-UHFFFAOYSA-N 1 1 312.341 2.478 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000171246926 402571238 /nfs/dbraw/zinc/57/12/38/402571238.db2.gz ORZDDPVIIHLCRD-UHFFFAOYSA-N 1 1 308.382 2.076 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000248343828 402586858 /nfs/dbraw/zinc/58/68/58/402586858.db2.gz KTXIRQGDFKVBTK-QWRGUYRKSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000248343828 402586861 /nfs/dbraw/zinc/58/68/61/402586861.db2.gz KTXIRQGDFKVBTK-QWRGUYRKSA-N 1 1 307.350 2.272 20 5 DEBDMO CC1(C)CC[C@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000248548946 402595680 /nfs/dbraw/zinc/59/56/80/402595680.db2.gz HBAUCXFFWSDFQD-TZMCWYRMSA-N 1 1 320.393 2.434 20 5 DEBDMO COC(=O)C[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000179152970 402576383 /nfs/dbraw/zinc/57/63/83/402576383.db2.gz NGXFXZJRAJAZOT-CYBMUJFWSA-N 1 1 308.334 2.001 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000249740873 402640220 /nfs/dbraw/zinc/64/02/20/402640220.db2.gz IGFOTKFQBBFJHY-NEPJUHHUSA-N 1 1 321.377 2.341 20 5 DEBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000181335522 402641862 /nfs/dbraw/zinc/64/18/62/402641862.db2.gz LIYLVCVGBSBZEP-LBPRGKRZSA-N 1 1 322.283 2.219 20 5 DEBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255009977 402675310 /nfs/dbraw/zinc/67/53/10/402675310.db2.gz QPVSIPLHDMAOTJ-DQOKEGCPSA-N 1 1 315.373 2.303 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255455449 402688379 /nfs/dbraw/zinc/68/83/79/402688379.db2.gz UZTWVMRWAUFTLQ-PODYEWJSSA-N 1 1 303.362 2.066 20 5 DEBDMO COc1cccc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000192581606 402738263 /nfs/dbraw/zinc/73/82/63/402738263.db2.gz FMSOPAJACFSYRM-LBPRGKRZSA-N 1 1 321.377 2.017 20 5 DEBDMO C[C@H]1COCCN1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000193001610 402760375 /nfs/dbraw/zinc/76/03/75/402760375.db2.gz LHBUISCKJNHCEA-AWEZNQCLSA-N 1 1 319.405 2.280 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175243914 402790942 /nfs/dbraw/zinc/79/09/42/402790942.db2.gz YMATYMUWVJRBSX-UHFFFAOYSA-N 1 1 308.382 2.126 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C1 ZINC000263746633 402798849 /nfs/dbraw/zinc/79/88/49/402798849.db2.gz RXBUSNCNXDCBNR-NSHDSACASA-N 1 1 307.350 2.274 20 5 DEBDMO CO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000263961772 402824946 /nfs/dbraw/zinc/82/49/46/402824946.db2.gz PDLOUDFXBCGATA-SMDDNHRTSA-N 1 1 307.350 2.033 20 5 DEBDMO CO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000263961772 402824950 /nfs/dbraw/zinc/82/49/50/402824950.db2.gz PDLOUDFXBCGATA-SMDDNHRTSA-N 1 1 307.350 2.033 20 5 DEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000263663419 402788196 /nfs/dbraw/zinc/78/81/96/402788196.db2.gz FAZJBSGZIUNABX-LLVKDONJSA-N 1 1 307.350 2.274 20 5 DEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000263663419 402788200 /nfs/dbraw/zinc/78/82/00/402788200.db2.gz FAZJBSGZIUNABX-LLVKDONJSA-N 1 1 307.350 2.274 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000278893403 402882828 /nfs/dbraw/zinc/88/28/28/402882828.db2.gz ZQUKMVOELXHLET-DGCLKSJQSA-N 1 1 303.362 2.116 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000272437427 402937146 /nfs/dbraw/zinc/93/71/46/402937146.db2.gz KKLOIOPEQQDMLH-IINYFYTJSA-N 1 1 323.780 2.414 20 5 DEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2[nH+]ccn2C)CC1 ZINC000266882502 402996676 /nfs/dbraw/zinc/99/66/76/402996676.db2.gz AMPVLRDIJZXQGF-ZDUSSCGKSA-N 1 1 315.377 2.212 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000266947893 403002024 /nfs/dbraw/zinc/00/20/24/403002024.db2.gz SNWYQKQEUWNAAD-ZDUSSCGKSA-N 1 1 315.377 2.212 20 5 DEBDMO Cn1cc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC000267015119 403008619 /nfs/dbraw/zinc/00/86/19/403008619.db2.gz ISURKUCPHKFUJQ-NSHDSACASA-N 1 1 304.325 2.457 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000274146891 403030773 /nfs/dbraw/zinc/03/07/73/403030773.db2.gz ICQJGYWEBLHCEY-GXTWGEPZSA-N 1 1 315.377 2.261 20 5 DEBDMO Cc1nnc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000273606472 403019225 /nfs/dbraw/zinc/01/92/25/403019225.db2.gz MRIYBOYRKSIXFC-SECBINFHSA-N 1 1 308.363 2.484 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000268240630 403065646 /nfs/dbraw/zinc/06/56/46/403065646.db2.gz UXMXKOQIGNDYDM-TVQRCGJNSA-N 1 1 323.780 2.461 20 5 DEBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000268262427 403068265 /nfs/dbraw/zinc/06/82/65/403068265.db2.gz RRYJETJOKLDCOU-LBPRGKRZSA-N 1 1 320.393 2.084 20 5 DEBDMO Cc1nnc([C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268408492 403080705 /nfs/dbraw/zinc/08/07/05/403080705.db2.gz ABJXLXSKXNXKBR-AWEZNQCLSA-N 1 1 315.377 2.443 20 5 DEBDMO Cc1n[nH]c([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268408492 403080708 /nfs/dbraw/zinc/08/07/08/403080708.db2.gz ABJXLXSKXNXKBR-AWEZNQCLSA-N 1 1 315.377 2.443 20 5 DEBDMO Cc1n[nH]c([C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268408492 403080711 /nfs/dbraw/zinc/08/07/11/403080711.db2.gz ABJXLXSKXNXKBR-AWEZNQCLSA-N 1 1 315.377 2.443 20 5 DEBDMO Cc1nc([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000268408492 403080713 /nfs/dbraw/zinc/08/07/13/403080713.db2.gz ABJXLXSKXNXKBR-AWEZNQCLSA-N 1 1 315.377 2.443 20 5 DEBDMO Cc1nc([C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000268408492 403080716 /nfs/dbraw/zinc/08/07/16/403080716.db2.gz ABJXLXSKXNXKBR-AWEZNQCLSA-N 1 1 315.377 2.443 20 5 DEBDMO CC[C@@H]1CN(c2cccc(C)c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000275473154 403103453 /nfs/dbraw/zinc/10/34/53/403103453.db2.gz OMAKKQYYVVYSRN-UONOGXRCSA-N 1 1 307.394 2.185 20 5 DEBDMO C[NH+](C)CC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000269277674 403127678 /nfs/dbraw/zinc/12/76/78/403127678.db2.gz JVRDQGOFUMZEBX-CQSZACIVSA-N 1 1 323.393 2.397 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000269870042 403171978 /nfs/dbraw/zinc/17/19/78/403171978.db2.gz YIGSTNCDTMMWMK-QWHCGFSZSA-N 1 1 321.377 2.077 20 5 DEBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283611944 403209682 /nfs/dbraw/zinc/20/96/82/403209682.db2.gz RBMZZVRDBPCDLW-ZDUSSCGKSA-N 1 1 323.368 2.472 20 5 DEBDMO C[C@H]1CSCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283352097 403191217 /nfs/dbraw/zinc/19/12/17/403191217.db2.gz QZPMBOIMDJMSSJ-NSHDSACASA-N 1 1 309.391 2.361 20 5 DEBDMO C[C@@H](O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283396319 403194428 /nfs/dbraw/zinc/19/44/28/403194428.db2.gz UVGRQXCSAFEXPB-TZMCWYRMSA-N 1 1 321.377 2.159 20 5 DEBDMO CC[N@@H+](CCOC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271026131 403254949 /nfs/dbraw/zinc/25/49/49/403254949.db2.gz AJYGFJOPYNNBFL-UHFFFAOYSA-N 1 1 318.377 2.464 20 5 DEBDMO C[C@H]1C[N@@H+](CCCNCc2csc([N+](=O)[O-])c2)CCCO1 ZINC000277897704 403268521 /nfs/dbraw/zinc/26/85/21/403268521.db2.gz OVFCTUGVGFMZHC-LBPRGKRZSA-N 1 1 313.423 2.247 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)C1 ZINC000292340182 403357762 /nfs/dbraw/zinc/35/77/62/403357762.db2.gz PYGJVQHZHIRCPG-MRXNPFEDSA-N 1 1 302.378 2.095 20 5 DEBDMO CC[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000342859567 403375576 /nfs/dbraw/zinc/37/55/76/403375576.db2.gz GUFUKZURTYTWAS-CQDKDKBSSA-N 1 1 305.378 2.360 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000285775551 403377222 /nfs/dbraw/zinc/37/72/22/403377222.db2.gz DQAUDIXWHLGLHO-KFWWJZLASA-N 1 1 319.405 2.451 20 5 DEBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000285796713 403382604 /nfs/dbraw/zinc/38/26/04/403382604.db2.gz FROJKDOGCDVEAK-WFASDCNBSA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000285796713 403382607 /nfs/dbraw/zinc/38/26/07/403382607.db2.gz FROJKDOGCDVEAK-WFASDCNBSA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000331502405 403401331 /nfs/dbraw/zinc/40/13/31/403401331.db2.gz OBXZSFPNYUXTBK-MGPQQGTHSA-N 1 1 320.393 2.291 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000298516283 403403080 /nfs/dbraw/zinc/40/30/80/403403080.db2.gz PYILIDLLQISDSB-LLVKDONJSA-N 1 1 317.345 2.065 20 5 DEBDMO CS[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331587996 403423830 /nfs/dbraw/zinc/42/38/30/403423830.db2.gz 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317.389 2.323 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000831164311 649546901 /nfs/dbraw/zinc/54/69/01/649546901.db2.gz BNBRVTCFUAYHAR-QBPKDAKJSA-N 1 1 320.389 2.254 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000845738373 651276253 /nfs/dbraw/zinc/27/62/53/651276253.db2.gz MMQIRZLJTBQJGW-CYBMUJFWSA-N 1 1 322.361 2.390 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000846931683 651362821 /nfs/dbraw/zinc/36/28/21/651362821.db2.gz IFVCTKMEPHLJDE-HNNXBMFYSA-N 1 1 323.368 2.031 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000846931683 651362823 /nfs/dbraw/zinc/36/28/23/651362823.db2.gz IFVCTKMEPHLJDE-HNNXBMFYSA-N 1 1 323.368 2.031 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000846931683 651362824 /nfs/dbraw/zinc/36/28/24/651362824.db2.gz IFVCTKMEPHLJDE-HNNXBMFYSA-N 1 1 323.368 2.031 20 5 DEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000848370918 651454813 /nfs/dbraw/zinc/45/48/13/651454813.db2.gz CVGGRCVMCRGJBM-XSNHNAGMSA-N 1 1 303.362 2.161 20 5 DEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000848370918 651454814 /nfs/dbraw/zinc/45/48/14/651454814.db2.gz CVGGRCVMCRGJBM-XSNHNAGMSA-N 1 1 303.362 2.161 20 5 DEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000857728813 652169157 /nfs/dbraw/zinc/16/91/57/652169157.db2.gz ZKJITNBQMQCMIT-GFCCVEGCSA-N 1 1 307.350 2.329 20 5 DEBDMO C[C@@H]1COC2(CCC2)C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852441507 652402252 /nfs/dbraw/zinc/40/22/52/652402252.db2.gz BCZNQYKPVKOJFG-DOMZBBRYSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@@H]1COC2(CCC2)C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852441507 652402253 /nfs/dbraw/zinc/40/22/53/652402253.db2.gz BCZNQYKPVKOJFG-DOMZBBRYSA-N 1 1 306.362 2.272 20 5 DEBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000852495276 652409921 /nfs/dbraw/zinc/40/99/21/652409921.db2.gz IMWVTDWUKDULCT-NSHDSACASA-N 1 1 300.742 2.095 20 5 DEBDMO C[N@H+](C[C@H]1CC1(C)C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000853628399 652580886 /nfs/dbraw/zinc/58/08/86/652580886.db2.gz UNTZSROOKCGJSL-SNVBAGLBSA-N 1 1 305.334 2.438 20 5 DEBDMO C[N@@H+](C[C@H]1CC1(C)C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000853628399 652580890 /nfs/dbraw/zinc/58/08/90/652580890.db2.gz UNTZSROOKCGJSL-SNVBAGLBSA-N 1 1 305.334 2.438 20 5 DEBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136993352 684243023 /nfs/dbraw/zinc/24/30/23/684243023.db2.gz SJFDOWBOEIJEBG-LBPRGKRZSA-N 1 1 323.780 2.462 20 5 DEBDMO Cc1noc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000859589473 685768757 /nfs/dbraw/zinc/76/87/57/685768757.db2.gz WONUPOTXYOQWDI-INIZCTEOSA-N 1 1 317.345 2.375 20 5 DEBDMO Cc1noc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000859589473 685768761 /nfs/dbraw/zinc/76/87/61/685768761.db2.gz WONUPOTXYOQWDI-INIZCTEOSA-N 1 1 317.345 2.375 20 5 DEBDMO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000860054627 685877070 /nfs/dbraw/zinc/87/70/70/685877070.db2.gz MDHVGVDLXJIAQQ-JTQLQIEISA-N 1 1 320.374 2.365 20 5 DEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000861809661 686185975 /nfs/dbraw/zinc/18/59/75/686185975.db2.gz YEPVJFWBOHFNAL-CABZTGNLSA-N 1 1 309.753 2.024 20 5 DEBDMO CCON(CC)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862451829 686303920 /nfs/dbraw/zinc/30/39/20/686303920.db2.gz HHGAQHZOYYXBCC-UHFFFAOYSA-N 1 1 315.757 2.138 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C2CC2)c1 ZINC000929854848 694043719 /nfs/dbraw/zinc/04/37/19/694043719.db2.gz WKQVTZFMRILZGR-JQFCIGGWSA-N 1 1 318.373 2.363 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864879974 686871899 /nfs/dbraw/zinc/87/18/99/686871899.db2.gz PMAUPHYWWGXKQK-LBPRGKRZSA-N 1 1 323.368 2.267 20 5 DEBDMO O=[N+]([O-])c1cc(CO)c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000865504430 687237401 /nfs/dbraw/zinc/23/74/01/687237401.db2.gz NUWBYZHFXFSEMH-JTQLQIEISA-N 1 1 320.324 2.333 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)CC[C@@H]21 ZINC000865618068 687279264 /nfs/dbraw/zinc/27/92/64/687279264.db2.gz SEHCNPHLTXDYNI-RISCZKNCSA-N 1 1 323.368 2.147 20 5 DEBDMO C[N@H+]1CC[C@@](O)(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC000865678741 687299314 /nfs/dbraw/zinc/29/93/14/687299314.db2.gz FBRSJENJEMWYJO-GFCCVEGCSA-N 1 1 320.176 2.380 20 5 DEBDMO C[C@@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000930162128 694103151 /nfs/dbraw/zinc/10/31/51/694103151.db2.gz MUTDFCKCCICLBT-PELKAZGASA-N 1 1 315.167 2.170 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000930162128 694103152 /nfs/dbraw/zinc/10/31/52/694103152.db2.gz MUTDFCKCCICLBT-PELKAZGASA-N 1 1 315.167 2.170 20 5 DEBDMO Cc1ccc([C@H](C)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000866411949 687564894 /nfs/dbraw/zinc/56/48/94/687564894.db2.gz ZMWDFCNXTOOSEC-ZFWWWQNUSA-N 1 1 321.421 2.399 20 5 DEBDMO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000866411949 687564896 /nfs/dbraw/zinc/56/48/96/687564896.db2.gz ZMWDFCNXTOOSEC-ZFWWWQNUSA-N 1 1 321.421 2.399 20 5 DEBDMO C[C@@H]1CCCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867978136 687857844 /nfs/dbraw/zinc/85/78/44/687857844.db2.gz VDVPQVCCJCZIAC-WBMJQRKESA-N 1 1 305.378 2.417 20 5 DEBDMO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872017419 688913732 /nfs/dbraw/zinc/91/37/32/688913732.db2.gz AZYQYSYWOCSLEO-UWVGGRQHSA-N 1 1 311.407 2.492 20 5 DEBDMO C[C@H]1CCC[N@@H+](CC[N+](=O)[O-])[C@@H]1CCNC(=O)OC(C)(C)C ZINC000930849122 694254351 /nfs/dbraw/zinc/25/43/51/694254351.db2.gz JVALPSOVRKHJGC-QWHCGFSZSA-N 1 1 315.414 2.278 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000874339816 689390795 /nfs/dbraw/zinc/39/07/95/689390795.db2.gz DERLXXNJEFMETM-UHFFFAOYSA-N 1 1 305.378 2.379 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874838964 689511172 /nfs/dbraw/zinc/51/11/72/689511172.db2.gz SLJSXMDTOYVQQO-KBPBESRZSA-N 1 1 321.352 2.351 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000931057511 694306733 /nfs/dbraw/zinc/30/67/33/694306733.db2.gz PEDNBOBSQVIEPW-WFASDCNBSA-N 1 1 318.377 2.379 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000877398542 690101760 /nfs/dbraw/zinc/10/17/60/690101760.db2.gz NPSOXMUCELAGOS-MRXNPFEDSA-N 1 1 306.362 2.203 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000877398542 690101763 /nfs/dbraw/zinc/10/17/63/690101763.db2.gz NPSOXMUCELAGOS-MRXNPFEDSA-N 1 1 306.362 2.203 20 5 DEBDMO Cc1c(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000877952459 690268833 /nfs/dbraw/zinc/26/88/33/690268833.db2.gz NLNSUKLCYDJPPT-DOMZBBRYSA-N 1 1 318.377 2.461 20 5 DEBDMO COC[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878123292 690317478 /nfs/dbraw/zinc/31/74/78/690317478.db2.gz WFOMJLBPQTXLRW-LLVKDONJSA-N 1 1 318.333 2.113 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000878876858 690518940 /nfs/dbraw/zinc/51/89/40/690518940.db2.gz WFCVFIIMFRCCBM-CABCVRRESA-N 1 1 302.334 2.188 20 5 DEBDMO CO[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879323374 690619561 /nfs/dbraw/zinc/61/95/61/690619561.db2.gz PEWZEBOINOYAAB-IUODEOHRSA-N 1 1 321.377 2.057 20 5 DEBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879323374 690619564 /nfs/dbraw/zinc/61/95/64/690619564.db2.gz PEWZEBOINOYAAB-IUODEOHRSA-N 1 1 321.377 2.057 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1 ZINC000879563629 690671574 /nfs/dbraw/zinc/67/15/74/690671574.db2.gz TWKOVFFFZCBGFL-GZBFAFLISA-N 1 1 308.403 2.313 20 5 DEBDMO CC(C)(O)[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000880143824 690820971 /nfs/dbraw/zinc/82/09/71/690820971.db2.gz QIXPOZMWFOLWON-ZDUSSCGKSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC000931457534 694401181 /nfs/dbraw/zinc/40/11/81/694401181.db2.gz YXGOEMNBJFJTES-NSHDSACASA-N 1 1 302.334 2.316 20 5 DEBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC000931457534 694401185 /nfs/dbraw/zinc/40/11/85/694401185.db2.gz YXGOEMNBJFJTES-NSHDSACASA-N 1 1 302.334 2.316 20 5 DEBDMO COCC1([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCC1 ZINC000880187903 690834763 /nfs/dbraw/zinc/83/47/63/690834763.db2.gz QYUARCZHUQOQBA-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO COCC1([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCC1 ZINC000880187903 690834767 /nfs/dbraw/zinc/83/47/67/690834767.db2.gz QYUARCZHUQOQBA-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC000931457533 694401581 /nfs/dbraw/zinc/40/15/81/694401581.db2.gz YXGOEMNBJFJTES-LLVKDONJSA-N 1 1 302.334 2.316 20 5 DEBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC000931457533 694401583 /nfs/dbraw/zinc/40/15/83/694401583.db2.gz YXGOEMNBJFJTES-LLVKDONJSA-N 1 1 302.334 2.316 20 5 DEBDMO CC1([NH+]2CCC2)CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000880474524 690907071 /nfs/dbraw/zinc/90/70/71/690907071.db2.gz ZOWAXDGTQNCQMG-UHFFFAOYSA-N 1 1 305.378 2.361 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC2(CC1)COCCO2 ZINC000880542464 690922789 /nfs/dbraw/zinc/92/27/89/690922789.db2.gz CGZZGTFNAQJUIM-UHFFFAOYSA-N 1 1 310.325 2.115 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)cs1 ZINC000880585149 690934040 /nfs/dbraw/zinc/93/40/40/690934040.db2.gz DZSGMVMPXWJTSG-LBPRGKRZSA-N 1 1 312.391 2.020 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cs1 ZINC000880585149 690934042 /nfs/dbraw/zinc/93/40/42/690934042.db2.gz DZSGMVMPXWJTSG-LBPRGKRZSA-N 1 1 312.391 2.020 20 5 DEBDMO C[N@@H+](Cc1ccccc1)C1CN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882351486 691265368 /nfs/dbraw/zinc/26/53/68/691265368.db2.gz VEEYSFGITTZATM-UHFFFAOYSA-N 1 1 316.336 2.450 20 5 DEBDMO COC(=O)c1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)n(C)c1C ZINC000883344517 691485122 /nfs/dbraw/zinc/48/51/22/691485122.db2.gz CELQXGMOKCFXTB-UHFFFAOYSA-N 1 1 323.374 2.380 20 5 DEBDMO O=C1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CN1CC1CC1 ZINC000883403755 691499224 /nfs/dbraw/zinc/49/92/24/691499224.db2.gz CNORUNNMLNXMHI-GFCCVEGCSA-N 1 1 323.780 2.349 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000931724402 694464157 /nfs/dbraw/zinc/46/41/57/694464157.db2.gz GCEPDLHYKKGWQT-WCQYABFASA-N 1 1 316.361 2.405 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCOc1cccc([N+](=O)[O-])c1 ZINC000931730829 694467098 /nfs/dbraw/zinc/46/70/98/694467098.db2.gz YXEPVDJPGBJRRL-DZGCQCFKSA-N 1 1 305.378 2.142 20 5 DEBDMO COC(=O)N[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000884761574 691796383 /nfs/dbraw/zinc/79/63/83/691796383.db2.gz RMKWVMZOGZVCGH-JTQLQIEISA-N 1 1 316.317 2.078 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000886032351 691988311 /nfs/dbraw/zinc/98/83/11/691988311.db2.gz DOODAURLQGRPQE-MRXNPFEDSA-N 1 1 313.357 2.472 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000886032351 691988315 /nfs/dbraw/zinc/98/83/15/691988315.db2.gz DOODAURLQGRPQE-MRXNPFEDSA-N 1 1 313.357 2.472 20 5 DEBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874705 692217846 /nfs/dbraw/zinc/21/78/46/692217846.db2.gz UQLWGEAWOZFGAT-MRXNPFEDSA-N 1 1 305.378 2.266 20 5 DEBDMO C[N@@H+](CCCF)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000887141304 692290581 /nfs/dbraw/zinc/29/05/81/692290581.db2.gz NQZBLVIYIWZONK-UHFFFAOYSA-N 1 1 301.293 2.354 20 5 DEBDMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000887398855 692354478 /nfs/dbraw/zinc/35/44/78/692354478.db2.gz IQIKTQSMSFVCOY-NSHDSACASA-N 1 1 302.334 2.020 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1COC(C)(C)C ZINC000932169234 694566260 /nfs/dbraw/zinc/56/62/60/694566260.db2.gz OWNHPPANVNUTDA-CYBMUJFWSA-N 1 1 310.398 2.379 20 5 DEBDMO CC1(C)CC[N@@H+](CCNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000897247783 693015857 /nfs/dbraw/zinc/01/58/57/693015857.db2.gz DXJSMSNNVUQCNC-UHFFFAOYSA-N 1 1 311.357 2.370 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[N@H+]4CCC[C@H]4CO3)n2)s1 ZINC000924008992 693081637 /nfs/dbraw/zinc/08/16/37/693081637.db2.gz ZUQQCGKXPMIFMX-IUCAKERBSA-N 1 1 322.346 2.242 20 5 DEBDMO Cn1nccc1[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932267929 694583918 /nfs/dbraw/zinc/58/39/18/694583918.db2.gz VGKGEMLIJTYEJQ-CVEARBPZSA-N 1 1 316.361 2.199 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335439443 1150416452 /nfs/dbraw/zinc/41/64/52/1150416452.db2.gz DDGSQTVJVYINGT-CZUORRHYSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335439443 1150416459 /nfs/dbraw/zinc/41/64/59/1150416459.db2.gz DDGSQTVJVYINGT-CZUORRHYSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335439443 1150416464 /nfs/dbraw/zinc/41/64/64/1150416464.db2.gz DDGSQTVJVYINGT-CZUORRHYSA-N 1 1 321.421 2.338 20 5 DEBDMO Cc1ccc(C(=O)NCC[N@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC001440034907 1181342437 /nfs/dbraw/zinc/34/24/37/1181342437.db2.gz RCUXDXXHWTUNSH-UHFFFAOYSA-N 1 1 305.378 2.365 20 5 DEBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001164640626 719177240 /nfs/dbraw/zinc/17/72/40/719177240.db2.gz UWLRYAFDYUJCBU-BQBZGAKWSA-N 1 1 320.180 2.220 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001164640626 719177244 /nfs/dbraw/zinc/17/72/44/719177244.db2.gz UWLRYAFDYUJCBU-BQBZGAKWSA-N 1 1 320.180 2.220 20 5 DEBDMO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)CC[N@@H+](C)CC ZINC001106841294 782983668 /nfs/dbraw/zinc/98/36/68/782983668.db2.gz BFIBELDFYOLOOH-UHFFFAOYSA-N 1 1 322.409 2.197 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2NC)C[C@@H]1C ZINC001333502021 1150057008 /nfs/dbraw/zinc/05/70/08/1150057008.db2.gz 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Cc1cccc(O[C@@H]2CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169054500 785024074 /nfs/dbraw/zinc/02/40/74/785024074.db2.gz MHOGQYWONXFECT-QLFBSQMISA-N 1 1 305.378 2.289 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170328279 786911792 /nfs/dbraw/zinc/91/17/92/786911792.db2.gz ITENQDXJBWRBPO-OLZOCXBDSA-N 1 1 308.378 2.239 20 5 DEBDMO COc1ccc(C[C@H](C)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001170353423 786916847 /nfs/dbraw/zinc/91/68/47/786916847.db2.gz YADMAGCCAONCHT-AEGPPILISA-N 1 1 319.405 2.313 20 5 DEBDMO CC[N@@H+](CCC(=O)OC)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170354828 786917171 /nfs/dbraw/zinc/91/71/71/786917171.db2.gz QAGRRJPJNPJYJD-GFCCVEGCSA-N 1 1 324.377 2.419 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170353405 786917334 /nfs/dbraw/zinc/91/73/34/786917334.db2.gz XSSDDJYMHOHGAM-OUCADQQQSA-N 1 1 308.378 2.380 20 5 DEBDMO O=C1SCC[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901609 793522781 /nfs/dbraw/zinc/52/27/81/793522781.db2.gz OUQAHQDPGPCQEY-OCCSQVGLSA-N 1 1 306.387 2.464 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCC3(C1)OCCO3)CC2 ZINC001172912561 793544782 /nfs/dbraw/zinc/54/47/82/793544782.db2.gz BVAGDPJIGBLOKF-OAHLLOKOSA-N 1 1 318.373 2.291 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC001173222673 793639350 /nfs/dbraw/zinc/63/93/50/793639350.db2.gz UDJNXCKAEGZXET-CZUORRHYSA-N 1 1 306.362 2.017 20 5 DEBDMO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226296 793643105 /nfs/dbraw/zinc/64/31/05/793643105.db2.gz LQZGLMBJYFCDLG-QIXHYMPYSA-N 1 1 320.389 2.404 20 5 DEBDMO COC1C[C@@H]2COC[C@H](C1)[N@H+]2[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226296 793643113 /nfs/dbraw/zinc/64/31/13/793643113.db2.gz LQZGLMBJYFCDLG-QIXHYMPYSA-N 1 1 320.389 2.404 20 5 DEBDMO COC(=O)C[C@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173238375 793656489 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2.256 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001185323779 796239406 /nfs/dbraw/zinc/23/94/06/796239406.db2.gz XRZWDHFCUJLUAV-NSHDSACASA-N 1 1 318.352 2.458 20 5 DEBDMO COC(=O)c1ccc(OCc2[nH]c(C)[nH+]c2C)c([N+](=O)[O-])c1 ZINC001188407809 796671453 /nfs/dbraw/zinc/67/14/53/796671453.db2.gz GEVIZDRHTNUYTL-UHFFFAOYSA-N 1 1 305.290 2.300 20 5 DEBDMO O=C(CCCF)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001196798605 798106986 /nfs/dbraw/zinc/10/69/86/798106986.db2.gz BXGPINVANNFCDI-UHFFFAOYSA-N 1 1 323.368 2.379 20 5 DEBDMO O=C(CCCF)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001196798605 798106989 /nfs/dbraw/zinc/10/69/89/798106989.db2.gz BXGPINVANNFCDI-UHFFFAOYSA-N 1 1 323.368 2.379 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC001157262764 798172329 /nfs/dbraw/zinc/17/23/29/798172329.db2.gz YLUZURHFONCDPM-ABAIWWIYSA-N 1 1 313.361 2.068 20 5 DEBDMO CC(C)[N@H+]1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC001158494876 798416926 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C[N@H+]1CCc2c(NC[C@H](O)c3ccco3)ccc([N+](=O)[O-])c2C1 ZINC001162262872 799045644 /nfs/dbraw/zinc/04/56/44/799045644.db2.gz MIYWMZOSGFNCSZ-HNNXBMFYSA-N 1 1 317.345 2.321 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC[C@H]1C[N@H+](C)CCO1 ZINC001162694625 799150269 /nfs/dbraw/zinc/15/02/69/799150269.db2.gz RDVPXIRHTMEWIQ-ZDUSSCGKSA-N 1 1 323.393 2.433 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC[C@H]1C[N@@H+](C)CCO1 ZINC001162694625 799150275 /nfs/dbraw/zinc/15/02/75/799150275.db2.gz RDVPXIRHTMEWIQ-ZDUSSCGKSA-N 1 1 323.393 2.433 20 5 DEBDMO Cc1nc(N[C@H](C[NH+]2CCOCC2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001162877407 799193571 /nfs/dbraw/zinc/19/35/71/799193571.db2.gz DQSBWJPCMWODIC-CQSZACIVSA-N 1 1 322.409 2.457 20 5 DEBDMO CC[N@H+]1CCCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001163771243 799428205 /nfs/dbraw/zinc/42/82/05/799428205.db2.gz IKKKJRYJGZKLEK-UHFFFAOYSA-N 1 1 301.350 2.070 20 5 DEBDMO CC(=O)Nc1ccc(NCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC001163929973 799458682 /nfs/dbraw/zinc/45/86/82/799458682.db2.gz WWXKCEFWXFGSJE-UHFFFAOYSA-N 1 1 303.322 2.170 20 5 DEBDMO [NH3+][C@@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)CCC1(F)F ZINC001164319588 799570289 /nfs/dbraw/zinc/57/02/89/799570289.db2.gz KHEZVJXREWAUEH-GFCCVEGCSA-N 1 1 308.288 2.316 20 5 DEBDMO O=C1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCCCN1 ZINC000934160969 800277514 /nfs/dbraw/zinc/27/75/14/800277514.db2.gz IADJYCHDVWIQKL-UHFFFAOYSA-N 1 1 309.341 2.226 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934265140 800304503 /nfs/dbraw/zinc/30/45/03/800304503.db2.gz XNSMRWSOPQBKBA-XYPHTWIQSA-N 1 1 319.405 2.187 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934265140 800304509 /nfs/dbraw/zinc/30/45/09/800304509.db2.gz XNSMRWSOPQBKBA-XYPHTWIQSA-N 1 1 319.405 2.187 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934265140 800304515 /nfs/dbraw/zinc/30/45/15/800304515.db2.gz XNSMRWSOPQBKBA-XYPHTWIQSA-N 1 1 319.405 2.187 20 5 DEBDMO Nc1cc(-n2c3ccccc3nc3cc(N)c(=O)cc2-3)cc[nH+]1 ZINC001206578669 800557521 /nfs/dbraw/zinc/55/75/21/800557521.db2.gz VXXDQVGQJGXRRD-UHFFFAOYSA-N 1 1 303.325 2.050 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000935857989 800788552 /nfs/dbraw/zinc/78/85/52/800788552.db2.gz MITPABVQLDZRTP-MRXNPFEDSA-N 1 1 319.405 2.469 20 5 DEBDMO COC(=O)c1c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC001229047321 801213179 /nfs/dbraw/zinc/21/31/79/801213179.db2.gz XVNGAEFKTGQOMW-GDNZZTSVSA-N 1 1 320.345 2.385 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](Oc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229400194 801270743 /nfs/dbraw/zinc/27/07/43/801270743.db2.gz SHWBWVMIIWCBHO-GFCCVEGCSA-N 1 1 302.334 2.400 20 5 DEBDMO Cc1cc(=O)oc2c1ccc(O[C@H]1CC[N@H+](C)C1)c2[N+](=O)[O-] ZINC001229942547 801340164 /nfs/dbraw/zinc/34/01/64/801340164.db2.gz IQXUKOYQBQTYSS-JTQLQIEISA-N 1 1 304.302 2.093 20 5 DEBDMO Cc1ccc(O[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230492178 801405342 /nfs/dbraw/zinc/40/53/42/801405342.db2.gz KHOLHHLLLHDCTA-JTQLQIEISA-N 1 1 318.289 2.402 20 5 DEBDMO COC(=O)c1cc(CO[C@@H]2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC001223689043 802809108 /nfs/dbraw/zinc/80/91/08/802809108.db2.gz SPJNMLWKVNAUEB-OAHLLOKOSA-N 1 1 322.361 2.382 20 5 DEBDMO O=[N+]([O-])c1cnc(OC2CC[NH+](CCF)CC2)c(Cl)c1 ZINC001226255843 803079288 /nfs/dbraw/zinc/07/92/88/803079288.db2.gz OTWMLUDVRKCFTF-UHFFFAOYSA-N 1 1 303.721 2.456 20 5 DEBDMO O=[N+]([O-])c1cnc(OC2CC[NH+](CCF)CC2)cc1Cl ZINC001226917557 803175540 /nfs/dbraw/zinc/17/55/40/803175540.db2.gz MCVCDFJOKXGWLC-UHFFFAOYSA-N 1 1 303.721 2.456 20 5 DEBDMO C[N@H+]1CCC[C@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227217383 803217338 /nfs/dbraw/zinc/21/73/38/803217338.db2.gz WIGDXXTUHHNZOY-NSHDSACASA-N 1 1 303.318 2.322 20 5 DEBDMO O=[N+]([O-])c1cncnc1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001228656047 803388398 /nfs/dbraw/zinc/38/83/98/803388398.db2.gz YIUKGMWGSBMRDV-CQSZACIVSA-N 1 1 314.345 2.428 20 5 DEBDMO CC[N@H+]1CCC[C@H](Oc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001228769933 803408689 /nfs/dbraw/zinc/40/86/89/803408689.db2.gz DZCSJXMZWSSDJM-ZDUSSCGKSA-N 1 1 308.334 2.245 20 5 DEBDMO CC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CCc2[nH+]ccn2C1 ZINC001228978158 803438166 /nfs/dbraw/zinc/43/81/66/803438166.db2.gz VFXOSHQSVWAYBK-NSHDSACASA-N 1 1 301.302 2.388 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001328516478 1148804680 /nfs/dbraw/zinc/80/46/80/1148804680.db2.gz MPJCEXCUIVOCTB-SCRDCRAPSA-N 1 1 306.410 2.498 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(N(C)C)s1 ZINC001461377716 1058649508 /nfs/dbraw/zinc/64/95/08/1058649508.db2.gz MYOJHCVZQHGJBQ-UHFFFAOYSA-N 1 1 322.390 2.416 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001465980269 1059398585 /nfs/dbraw/zinc/39/85/85/1059398585.db2.gz WHUIYLVZEWWNPO-LLVKDONJSA-N 1 1 322.365 2.161 20 5 DEBDMO CC(C)=CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001480389009 1062776830 /nfs/dbraw/zinc/77/68/30/1062776830.db2.gz XCVUSPHVSHSIPX-QLPKVWCKSA-N 1 1 315.373 2.107 20 5 DEBDMO Cc1coc(C(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001567297998 1064140200 /nfs/dbraw/zinc/14/02/00/1064140200.db2.gz GUZZGXFRDKNLGC-UHFFFAOYSA-N 1 1 317.345 2.358 20 5 DEBDMO Cc1coc(C(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001567297998 1064140204 /nfs/dbraw/zinc/14/02/04/1064140204.db2.gz GUZZGXFRDKNLGC-UHFFFAOYSA-N 1 1 317.345 2.358 20 5 DEBDMO CC(C)=CC(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001494519473 1064289981 /nfs/dbraw/zinc/28/99/81/1064289981.db2.gz USRQNLQPLGXVTP-UHFFFAOYSA-N 1 1 303.362 2.109 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001622845883 1078195271 /nfs/dbraw/zinc/19/52/71/1078195271.db2.gz BIVLFLPMKFJEJX-CYBMUJFWSA-N 1 1 306.366 2.461 20 5 DEBDMO C[C@H]1C[N@@H+](C2CC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001638816957 1078580733 /nfs/dbraw/zinc/58/07/33/1078580733.db2.gz ZSDMNOQEBFLRET-JTQLQIEISA-N 1 1 307.325 2.043 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001638816957 1078580739 /nfs/dbraw/zinc/58/07/39/1078580739.db2.gz ZSDMNOQEBFLRET-JTQLQIEISA-N 1 1 307.325 2.043 20 5 DEBDMO O=[N+]([O-])c1ccc2nc(N[C@H]3Cc4c[nH+]cn4C3)sc2c1 ZINC001640223825 1078649098 /nfs/dbraw/zinc/64/90/98/1078649098.db2.gz AVXKBIMNVZDGAL-QMMMGPOBSA-N 1 1 301.331 2.438 20 5 DEBDMO C[C@@H](c1ccccc1)[NH+]1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001643112390 1078785759 /nfs/dbraw/zinc/78/57/59/1078785759.db2.gz VIMNMEPHRPXVFH-ZDUSSCGKSA-N 1 1 315.377 2.212 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001542429101 1072458244 /nfs/dbraw/zinc/45/82/44/1072458244.db2.gz SODHAPGVUASEEM-CYBMUJFWSA-N 1 1 320.393 2.148 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001646378755 1074433998 /nfs/dbraw/zinc/43/39/98/1074433998.db2.gz JRAICQWVVXZRFZ-AWEZNQCLSA-N 1 1 323.368 2.123 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@]1(CO)c1ccccc1 ZINC001648635546 1075003586 /nfs/dbraw/zinc/00/35/86/1075003586.db2.gz RFWSCDNTWSXPCO-QGZVFWFLSA-N 1 1 313.357 2.473 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@]1(CO)c1ccccc1 ZINC001648635546 1075003590 /nfs/dbraw/zinc/00/35/90/1075003590.db2.gz RFWSCDNTWSXPCO-QGZVFWFLSA-N 1 1 313.357 2.473 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1(O)CCSCC1)CC2 ZINC001559595064 1075127337 /nfs/dbraw/zinc/12/73/37/1075127337.db2.gz XRZRSMALZFWFFK-UHFFFAOYSA-N 1 1 308.403 2.211 20 5 DEBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590501884 1076641999 /nfs/dbraw/zinc/64/19/99/1076641999.db2.gz GSQOBTYGXWTOIX-ZWNOBZJWSA-N 1 1 316.365 2.395 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC001591136058 1076710782 /nfs/dbraw/zinc/71/07/82/1076710782.db2.gz CBTDUBXEUBDCFL-UHFFFAOYSA-N 1 1 324.344 2.407 20 5 DEBDMO CC[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])CC1CCC1 ZINC001609225075 1077806996 /nfs/dbraw/zinc/80/69/96/1077806996.db2.gz SMNQJTKWGOCREG-UHFFFAOYSA-N 1 1 316.365 2.397 20 5 DEBDMO C[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001651143481 1079791108 /nfs/dbraw/zinc/79/11/08/1079791108.db2.gz DAKMVXDPVXLGKV-CYBMUJFWSA-N 1 1 315.377 2.039 20 5 DEBDMO C[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001651143481 1079791111 /nfs/dbraw/zinc/79/11/11/1079791111.db2.gz DAKMVXDPVXLGKV-CYBMUJFWSA-N 1 1 315.377 2.039 20 5 DEBDMO C[N@H+]1C[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001652488304 1079878083 /nfs/dbraw/zinc/87/80/83/1079878083.db2.gz OWPYYLXXAYDXHA-GFCCVEGCSA-N 1 1 311.769 2.318 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCCC34OCCO4)nc2c1 ZINC001653246390 1079920858 /nfs/dbraw/zinc/92/08/58/1079920858.db2.gz METCIUDEUPHJCI-CYBMUJFWSA-N 1 1 319.317 2.121 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001655162760 1079988907 /nfs/dbraw/zinc/98/89/07/1079988907.db2.gz PKNMKFWCFVGHDL-CYBMUJFWSA-N 1 1 308.338 2.029 20 5 DEBDMO C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)CC[N+](=O)[O-] ZINC001655527831 1080002045 /nfs/dbraw/zinc/00/20/45/1080002045.db2.gz SWQQGDVCRBITQS-UHFFFAOYSA-N 1 1 303.403 2.280 20 5 DEBDMO C[N@@H+](CCCNC(=O)C1CC=CC1)Cc1ccccc1[N+](=O)[O-] ZINC001660086067 1080263638 /nfs/dbraw/zinc/26/36/38/1080263638.db2.gz UHHIRKQXKNPKIB-UHFFFAOYSA-N 1 1 317.389 2.499 20 5 DEBDMO Cc1cc([C@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)[nH]n1 ZINC001660333252 1080311755 /nfs/dbraw/zinc/31/17/55/1080311755.db2.gz QWFWVNVXTXPICF-CYBMUJFWSA-N 1 1 304.354 2.050 20 5 DEBDMO Cc1cc([C@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)[nH]n1 ZINC001660333252 1080311758 /nfs/dbraw/zinc/31/17/58/1080311758.db2.gz QWFWVNVXTXPICF-CYBMUJFWSA-N 1 1 304.354 2.050 20 5 DEBDMO CN(CC[N@@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001667566949 1081265296 /nfs/dbraw/zinc/26/52/96/1081265296.db2.gz WJJJVJHDVSJIIR-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO CN(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001667566949 1081265301 /nfs/dbraw/zinc/26/53/01/1081265301.db2.gz WJJJVJHDVSJIIR-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO CN(CC[N@@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001667566949 1081265306 /nfs/dbraw/zinc/26/53/06/1081265306.db2.gz WJJJVJHDVSJIIR-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO CC1(C(=O)NC/C=C\C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001668838602 1081402747 /nfs/dbraw/zinc/40/27/47/1081402747.db2.gz JWGUTTJSRZZVGD-IHWYPQMZSA-N 1 1 309.391 2.218 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC001648855239 1082107726 /nfs/dbraw/zinc/10/77/26/1082107726.db2.gz VIAXPPAGPVNLGS-GFCCVEGCSA-N 1 1 303.362 2.212 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC001648855239 1082107727 /nfs/dbraw/zinc/10/77/27/1082107727.db2.gz VIAXPPAGPVNLGS-GFCCVEGCSA-N 1 1 303.362 2.212 20 5 DEBDMO C[N@H+](CCNC(=O)C1(C)CC=CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001480907034 1082479171 /nfs/dbraw/zinc/47/91/71/1082479171.db2.gz MCKZJVCCJAMHOU-UHFFFAOYSA-N 1 1 317.389 2.499 20 5 DEBDMO C[N@@H+](CCNC(=O)C1(C)CC=CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001480907034 1082479175 /nfs/dbraw/zinc/47/91/75/1082479175.db2.gz MCKZJVCCJAMHOU-UHFFFAOYSA-N 1 1 317.389 2.499 20 5 DEBDMO O=C(NC/C=C/C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccco1 ZINC001482973171 1082589701 /nfs/dbraw/zinc/58/97/01/1082589701.db2.gz ANRWFPRENJTSOY-OWOJBTEDSA-N 1 1 321.358 2.325 20 5 DEBDMO Cc1cc(Cl)nc(N2CCC(F)(F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001164319618 1089447593 /nfs/dbraw/zinc/44/75/93/1089447593.db2.gz KYLAZZUNQFJFCY-SSDOTTSWSA-N 1 1 306.700 2.124 20 5 DEBDMO CCC1([NH2+]CC2CCCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001273756741 1092034117 /nfs/dbraw/zinc/03/41/17/1092034117.db2.gz FUHVBYMTPOQCLG-HUUCEWRRSA-N 1 1 323.437 2.203 20 5 DEBDMO CC(C)=CC(=O)NC/C=C/C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001273822060 1092202802 /nfs/dbraw/zinc/20/28/02/1092202802.db2.gz FXBYBRGUILOBIU-ONEGZZNKSA-N 1 1 309.391 2.385 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318837558 1140431299 /nfs/dbraw/zinc/43/12/99/1140431299.db2.gz HLFDZPCVGYNQIM-GFCCVEGCSA-N 1 1 320.393 2.350 20 5 DEBDMO Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001319722089 1140688241 /nfs/dbraw/zinc/68/82/41/1140688241.db2.gz PMJDDFCUZKIOFW-UHFFFAOYSA-N 1 1 321.358 2.138 20 5 DEBDMO C[C@H](C(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001321134655 1141062161 /nfs/dbraw/zinc/06/21/61/1141062161.db2.gz FKBQRVAAEMXGIQ-BBRMVZONSA-N 1 1 317.389 2.395 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN[C@@H](C(F)(F)F)C1 ZINC001246983248 1141214301 /nfs/dbraw/zinc/21/43/01/1141214301.db2.gz GLZMFGPRTYWOKF-ZWNOBZJWSA-N 1 1 317.311 2.362 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN[C@@H](C(F)(F)F)C1 ZINC001246983248 1141214315 /nfs/dbraw/zinc/21/43/15/1141214315.db2.gz GLZMFGPRTYWOKF-ZWNOBZJWSA-N 1 1 317.311 2.362 20 5 DEBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CC3CC[NH+]2CC3)n1 ZINC001247373415 1141346124 /nfs/dbraw/zinc/34/61/24/1141346124.db2.gz LXCPTKCEANQDBP-LLVKDONJSA-N 1 1 319.296 2.336 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001323486613 1141858081 /nfs/dbraw/zinc/85/80/81/1141858081.db2.gz FICWHFKXMNXNQG-XOKHGSTOSA-N 1 1 321.421 2.290 20 5 DEBDMO CCN1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001323486613 1141858089 /nfs/dbraw/zinc/85/80/89/1141858089.db2.gz FICWHFKXMNXNQG-XOKHGSTOSA-N 1 1 321.421 2.290 20 5 DEBDMO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001323486613 1141858090 /nfs/dbraw/zinc/85/80/90/1141858090.db2.gz FICWHFKXMNXNQG-XOKHGSTOSA-N 1 1 321.421 2.290 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC001252121310 1142649169 /nfs/dbraw/zinc/64/91/69/1142649169.db2.gz GVLJWKTUUHEDLC-CYBMUJFWSA-N 1 1 303.362 2.214 20 5 DEBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](CF)C2)nc1-c1ccncc1 ZINC001337170703 1142702559 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COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000595039510 358381946 /nfs/dbraw/zinc/38/19/46/358381946.db2.gz PVSRCMCNMOXEIZ-RYUDHWBXSA-N 1 1 321.377 2.265 20 5 DEBDMO COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])cc1F ZINC000595879793 358570645 /nfs/dbraw/zinc/57/06/45/358570645.db2.gz XFTUTDDEFOFZNU-BMIGLBTASA-N 1 1 312.341 2.193 20 5 DEBDMO COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])cc1F ZINC000595879793 358570646 /nfs/dbraw/zinc/57/06/46/358570646.db2.gz XFTUTDDEFOFZNU-BMIGLBTASA-N 1 1 312.341 2.193 20 5 DEBDMO CCN1CC[NH+](CCCNc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596073331 358603742 /nfs/dbraw/zinc/60/37/42/358603742.db2.gz ISPDOSRHKYIFGC-UHFFFAOYSA-N 1 1 312.439 2.404 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596235939 358648400 /nfs/dbraw/zinc/64/84/00/358648400.db2.gz CFNDFXYYDJRWAK-LLVKDONJSA-N 1 1 308.382 2.226 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596434406 358686378 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359431684 /nfs/dbraw/zinc/43/16/84/359431684.db2.gz WPVCACJFDJFMHA-JTQLQIEISA-N 1 1 319.283 2.092 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCOCC2)CC1 ZINC000599474120 359505489 /nfs/dbraw/zinc/50/54/89/359505489.db2.gz IHKKNJOGXGYALA-CQSZACIVSA-N 1 1 319.405 2.452 20 5 DEBDMO CC1(C)CCC(C)(C)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599537605 359519770 /nfs/dbraw/zinc/51/97/70/359519770.db2.gz GPOPNBGVGGDQMN-ZDUSSCGKSA-N 1 1 310.398 2.053 20 5 DEBDMO CCOC[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599620980 359543990 /nfs/dbraw/zinc/54/39/90/359543990.db2.gz XOCXSQYEGZATJP-MRXNPFEDSA-N 1 1 324.377 2.101 20 5 DEBDMO CCOC[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599620980 359543993 /nfs/dbraw/zinc/54/39/93/359543993.db2.gz XOCXSQYEGZATJP-MRXNPFEDSA-N 1 1 324.377 2.101 20 5 DEBDMO COCCO[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000188823450 200308041 /nfs/dbraw/zinc/30/80/41/200308041.db2.gz ZUYWMOUUVAZKJP-DRDHIDPGSA-N 1 1 306.362 2.345 20 5 DEBDMO CCNC(=O)[C@@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000601169276 359950355 /nfs/dbraw/zinc/95/03/55/359950355.db2.gz LJKFJBQZWWUYLC-HNNXBMFYSA-N 1 1 316.361 2.138 20 5 DEBDMO CC(C)[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000601529523 360063821 /nfs/dbraw/zinc/06/38/21/360063821.db2.gz PWMIDAJDLBFIOW-ZDUSSCGKSA-N 1 1 309.341 2.146 20 5 DEBDMO CC(C)[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000601529523 360063827 /nfs/dbraw/zinc/06/38/27/360063827.db2.gz PWMIDAJDLBFIOW-ZDUSSCGKSA-N 1 1 309.341 2.146 20 5 DEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000601612254 360087385 /nfs/dbraw/zinc/08/73/85/360087385.db2.gz MZSRTVWFFSWFQJ-INIZCTEOSA-N 1 1 321.352 2.292 20 5 DEBDMO CC[C@@](C)(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602476209 360394313 /nfs/dbraw/zinc/39/43/13/360394313.db2.gz WNFCLGIQNJAPHA-DOMZBBRYSA-N 1 1 308.382 2.291 20 5 DEBDMO COCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(C)o1 ZINC000602788037 360553759 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DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(CCCO)CC3)nc2c1 ZINC000444686203 238243835 /nfs/dbraw/zinc/24/38/35/238243835.db2.gz BYPJPHCSBOMESE-UHFFFAOYSA-N 1 1 318.377 2.456 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+](CCCO)C2CC2)cccc1[N+](=O)[O-] ZINC000609846186 361343115 /nfs/dbraw/zinc/34/31/15/361343115.db2.gz VVZYMXRAOMJUDD-UHFFFAOYSA-N 1 1 321.377 2.079 20 5 DEBDMO CCO[C@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000610369722 361390361 /nfs/dbraw/zinc/39/03/61/361390361.db2.gz FOQMZQSAZZIKRQ-AWEZNQCLSA-N 1 1 324.377 2.483 20 5 DEBDMO CC[C@@H]1CN(c2cc(C)ccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000610677498 361444394 /nfs/dbraw/zinc/44/43/94/361444394.db2.gz PRHLDJCXVBBDBX-UONOGXRCSA-N 1 1 307.394 2.185 20 5 DEBDMO O=C1[C@H]([N@H+]2C[C@@H]3CCC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610762642 361461492 /nfs/dbraw/zinc/46/14/92/361461492.db2.gz JFGMLSGGRXFTDV-NILFDRSVSA-N 1 1 301.346 2.184 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1C ZINC000611088398 361525892 /nfs/dbraw/zinc/52/58/92/361525892.db2.gz SUDJCKPQJFAIPF-NSHDSACASA-N 1 1 316.361 2.242 20 5 DEBDMO COC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271430 361567383 /nfs/dbraw/zinc/56/73/83/361567383.db2.gz OYXAAHSPNBUTPQ-GFCCVEGCSA-N 1 1 322.361 2.224 20 5 DEBDMO CC[N@@H+](C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611205159 361549422 /nfs/dbraw/zinc/54/94/22/361549422.db2.gz KDGZTBYQIDLAGT-STQMWFEESA-N 1 1 321.377 2.280 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611714723 361666261 /nfs/dbraw/zinc/66/62/61/361666261.db2.gz YPLDSGBDYVSQHN-GHMZBOCLSA-N 1 1 301.350 2.067 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000619567142 363828244 /nfs/dbraw/zinc/82/82/44/363828244.db2.gz UVMREEHPQOYAAR-CQSZACIVSA-N 1 1 305.378 2.080 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CCCO)C2)c2c(c1)COCO2 ZINC000449787700 241077872 /nfs/dbraw/zinc/07/78/72/241077872.db2.gz BEWDBEJDKZHZMM-GFCCVEGCSA-N 1 1 322.361 2.056 20 5 DEBDMO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCC1 ZINC000451547629 243099332 /nfs/dbraw/zinc/09/93/32/243099332.db2.gz LGUHARQBMHLRCA-CQSZACIVSA-N 1 1 303.362 2.007 20 5 DEBDMO CN(C)C(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552252 243105268 /nfs/dbraw/zinc/10/52/68/243105268.db2.gz WIBBUCBIPYMJNP-AWEZNQCLSA-N 1 1 305.378 2.253 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000452170690 244000183 /nfs/dbraw/zinc/00/01/83/244000183.db2.gz MEUUNNIUGVQAOA-GFCCVEGCSA-N 1 1 317.389 2.460 20 5 DEBDMO C[C@H](NC[C@@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453264069 245031497 /nfs/dbraw/zinc/03/14/97/245031497.db2.gz UPDDEVNGBXEHAH-BBRMVZONSA-N 1 1 307.394 2.092 20 5 DEBDMO C[C@H](NC[C@@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453264069 245031505 /nfs/dbraw/zinc/03/15/05/245031505.db2.gz UPDDEVNGBXEHAH-BBRMVZONSA-N 1 1 307.394 2.092 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)(C)O ZINC000265071042 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Cc1c(CC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000119715421 401964207 /nfs/dbraw/zinc/96/42/07/401964207.db2.gz BURCZXPBHQTYGK-LLVKDONJSA-N 1 1 305.378 2.045 20 5 DEBDMO C[C@H](O)CC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089905778 401972578 /nfs/dbraw/zinc/97/25/78/401972578.db2.gz KBVMXEPCWFDOCV-NSHDSACASA-N 1 1 305.334 2.453 20 5 DEBDMO C[C@H](O)CC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089905778 401972583 /nfs/dbraw/zinc/97/25/83/401972583.db2.gz KBVMXEPCWFDOCV-NSHDSACASA-N 1 1 305.334 2.453 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000136968497 401976873 /nfs/dbraw/zinc/97/68/73/401976873.db2.gz GUYDVYDIUMPLCE-BBRMVZONSA-N 1 1 316.361 2.231 20 5 DEBDMO COc1cc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000091899299 401999410 /nfs/dbraw/zinc/99/94/10/401999410.db2.gz RAMRGGPTMNCOLY-RISCZKNCSA-N 1 1 324.377 2.205 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135547524 401944280 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5 DEBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000054059024 402062168 /nfs/dbraw/zinc/06/21/68/402062168.db2.gz DOUAHNIRKUQDCI-ZDUSSCGKSA-N 1 1 321.308 2.360 20 5 DEBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000153188176 402131690 /nfs/dbraw/zinc/13/16/90/402131690.db2.gz LKVNBESXQPUIDK-TYNCELHUSA-N 1 1 321.377 2.157 20 5 DEBDMO O=C1CCCN1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153226717 402134342 /nfs/dbraw/zinc/13/43/42/402134342.db2.gz HFASFVHKMFOTSL-UHFFFAOYSA-N 1 1 303.362 2.182 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000123963986 402156243 /nfs/dbraw/zinc/15/62/43/402156243.db2.gz JCDTUMDPSRBUQZ-MRXNPFEDSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000124925343 402203822 /nfs/dbraw/zinc/20/38/22/402203822.db2.gz PJQNEOBBMOFFHJ-MLGOLLRUSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000124925343 402203825 /nfs/dbraw/zinc/20/38/25/402203825.db2.gz PJQNEOBBMOFFHJ-MLGOLLRUSA-N 1 1 321.377 2.077 20 5 DEBDMO CC(C)(C)C[N@@H+](CCCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154156547 402195940 /nfs/dbraw/zinc/19/59/40/402195940.db2.gz ZKVXHIRAKXCHAU-HNNXBMFYSA-N 1 1 310.394 2.359 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154782151 402231583 /nfs/dbraw/zinc/23/15/83/402231583.db2.gz MXHDNFLJKGGDSB-UHFFFAOYSA-N 1 1 316.361 2.213 20 5 DEBDMO CCN(CC)C(=O)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000155096906 402245145 /nfs/dbraw/zinc/24/51/45/402245145.db2.gz SAELNCZJAFMGTR-CSKARUKUSA-N 1 1 305.378 2.408 20 5 DEBDMO CCN(CC)C(=O)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000155096906 402245148 /nfs/dbraw/zinc/24/51/48/402245148.db2.gz SAELNCZJAFMGTR-CSKARUKUSA-N 1 1 305.378 2.408 20 5 DEBDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000108494602 402254767 /nfs/dbraw/zinc/25/47/67/402254767.db2.gz DBGAZEHWHFTBEG-LBPRGKRZSA-N 1 1 306.366 2.367 20 5 DEBDMO Cc1cccc(OCC[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000176198862 402289261 /nfs/dbraw/zinc/28/92/61/402289261.db2.gz MPOCLLWIGLWHKI-UHFFFAOYSA-N 1 1 304.350 2.111 20 5 DEBDMO COc1ccc([C@@H](C)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176202818 402289988 /nfs/dbraw/zinc/28/99/88/402289988.db2.gz LKNXIGDHIVOTFP-GFCCVEGCSA-N 1 1 304.350 2.493 20 5 DEBDMO CCOC[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000176350413 402301964 /nfs/dbraw/zinc/30/19/64/402301964.db2.gz YHQMWDOAZNXWPE-GFCCVEGCSA-N 1 1 322.361 2.320 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000159123543 402318119 /nfs/dbraw/zinc/31/81/19/402318119.db2.gz KHYKUUGOJPBHEZ-AWEZNQCLSA-N 1 1 323.368 2.219 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177105537 402370645 /nfs/dbraw/zinc/37/06/45/402370645.db2.gz KDQPLCZIJVUKFS-VNCGOTGNSA-N 1 1 315.373 2.349 20 5 DEBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](CCO)C1CC1 ZINC000162449699 402420301 /nfs/dbraw/zinc/42/03/01/402420301.db2.gz PZXSCXFKVGRUJA-UHFFFAOYSA-N 1 1 315.167 2.314 20 5 DEBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+](CCO)C1CC1 ZINC000162449699 402420304 /nfs/dbraw/zinc/42/03/04/402420304.db2.gz PZXSCXFKVGRUJA-UHFFFAOYSA-N 1 1 315.167 2.314 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246909869 402549092 /nfs/dbraw/zinc/54/90/92/402549092.db2.gz FVFDQSJEFCZZNY-YWPYICTPSA-N 1 1 307.394 2.422 20 5 DEBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000247458642 402567377 /nfs/dbraw/zinc/56/73/77/402567377.db2.gz QPVSIPLHDMAOTJ-JTMKOSTRSA-N 1 1 315.373 2.303 20 5 DEBDMO CSc1cccc(C(=O)N(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000188420400 402520133 /nfs/dbraw/zinc/52/01/33/402520133.db2.gz BGLFXYHXHNTVOI-UHFFFAOYSA-N 1 1 323.418 2.483 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CCOC1 ZINC000178787472 402539853 /nfs/dbraw/zinc/53/98/53/402539853.db2.gz WJQGKPLEMOSOES-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000566414389 292236433 /nfs/dbraw/zinc/23/64/33/292236433.db2.gz ZPMBPJDPRHWLPP-CHWSQXEVSA-N 1 1 320.393 2.043 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248569409 402596300 /nfs/dbraw/zinc/59/63/00/402596300.db2.gz LQYQBGHZZXPPPJ-NEPJUHHUSA-N 1 1 323.368 2.295 20 5 DEBDMO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000171755320 402618597 /nfs/dbraw/zinc/61/85/97/402618597.db2.gz AWCSLIDQTAZBNS-QWHCGFSZSA-N 1 1 320.393 2.297 20 5 DEBDMO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000171755321 402618624 /nfs/dbraw/zinc/61/86/24/402618624.db2.gz AWCSLIDQTAZBNS-CHWSQXEVSA-N 1 1 320.393 2.297 20 5 DEBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000171303470 402576117 /nfs/dbraw/zinc/57/61/17/402576117.db2.gz LSWVEIJSKMDXCT-NSHDSACASA-N 1 1 322.361 2.377 20 5 DEBDMO COC(=O)C[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000179152962 402576377 /nfs/dbraw/zinc/57/63/77/402576377.db2.gz NGXFXZJRAJAZOT-ZDUSSCGKSA-N 1 1 308.334 2.001 20 5 DEBDMO COc1cc(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c([N+](=O)[O-])cc1F ZINC000566425484 292238739 /nfs/dbraw/zinc/23/87/39/292238739.db2.gz DFUSRXYRYKXSEB-QWHCGFSZSA-N 1 1 323.368 2.411 20 5 DEBDMO Cc1nc([C@H]2CN([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n[nH]1 ZINC000173671948 402707419 /nfs/dbraw/zinc/70/74/19/402707419.db2.gz VDHGRADMXMABKV-IINYFYTJSA-N 1 1 317.349 2.156 20 5 DEBDMO C[C@H]1COCCN1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000192766710 402748772 /nfs/dbraw/zinc/74/87/72/402748772.db2.gz SOLRIRLQFAZFON-AWEZNQCLSA-N 1 1 319.405 2.280 20 5 DEBDMO C[C@H]1COCCN1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000192766710 402748774 /nfs/dbraw/zinc/74/87/74/402748774.db2.gz SOLRIRLQFAZFON-AWEZNQCLSA-N 1 1 319.405 2.280 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175394810 402802473 /nfs/dbraw/zinc/80/24/73/402802473.db2.gz ONCOMOKWCQRHHB-UHFFFAOYSA-N 1 1 308.382 2.126 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC000184111896 402818950 /nfs/dbraw/zinc/81/89/50/402818950.db2.gz JLAGKKALOSCCPL-UHFFFAOYSA-N 1 1 320.389 2.266 20 5 DEBDMO CCOc1cccc(NC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000184120889 402819971 /nfs/dbraw/zinc/81/99/71/402819971.db2.gz PNUZIDKPOSJGCZ-CYBMUJFWSA-N 1 1 323.393 2.374 20 5 DEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](O)C1 ZINC000263931697 402821879 /nfs/dbraw/zinc/82/18/79/402821879.db2.gz UDKZVXFYHDQLQP-GXFFZTMASA-N 1 1 318.333 2.163 20 5 DEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](O)C1 ZINC000263931697 402821880 /nfs/dbraw/zinc/82/18/80/402821880.db2.gz UDKZVXFYHDQLQP-GXFFZTMASA-N 1 1 318.333 2.163 20 5 DEBDMO CC(C)COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000184172413 402824269 /nfs/dbraw/zinc/82/42/69/402824269.db2.gz ILZQYOQPJHZKKM-AWEZNQCLSA-N 1 1 322.365 2.388 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000271412968 402868321 /nfs/dbraw/zinc/86/83/21/402868321.db2.gz AUMRVINIDSHVQH-NHYWBVRUSA-N 1 1 304.350 2.021 20 5 DEBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000272497437 402944426 /nfs/dbraw/zinc/94/44/26/402944426.db2.gz GEAAJPLPNVCOGQ-SWLSCSKDSA-N 1 1 316.361 2.044 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](COc3ccccc3)C2)n1 ZINC000272515642 402946859 /nfs/dbraw/zinc/94/68/59/402946859.db2.gz GUCDCIUNDUXPEA-AWEZNQCLSA-N 1 1 316.361 2.192 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265772863 402948506 /nfs/dbraw/zinc/94/85/06/402948506.db2.gz IJEUFMVSIGPTDA-HNNXBMFYSA-N 1 1 319.405 2.473 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272255886 402915342 /nfs/dbraw/zinc/91/53/42/402915342.db2.gz ZEPAYNHQSOTSRY-QMTHXVAHSA-N 1 1 306.322 2.033 20 5 DEBDMO CCC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274142048 403030383 /nfs/dbraw/zinc/03/03/83/403030383.db2.gz XHMCHDGCAKSWEE-UHFFFAOYSA-N 1 1 303.366 2.393 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000267044721 403011088 /nfs/dbraw/zinc/01/10/88/403011088.db2.gz NCLOELRNEXNDIA-HIFRSBDPSA-N 1 1 305.378 2.414 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000268189597 403059914 /nfs/dbraw/zinc/05/99/14/403059914.db2.gz MRAHVAMNULYQLU-YMTOWFKASA-N 1 1 323.780 2.461 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000274532337 403064845 /nfs/dbraw/zinc/06/48/45/403064845.db2.gz BRNRZTARZFFIOG-BJMVGYQFSA-N 1 1 303.362 2.161 20 5 DEBDMO Cc1c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268238857 403065182 /nfs/dbraw/zinc/06/51/82/403065182.db2.gz OLPWAEQSHQRFQI-QMTHXVAHSA-N 1 1 303.362 2.116 20 5 DEBDMO C[N@H+]1CCN(CCNc2ccc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000281727052 403085808 /nfs/dbraw/zinc/08/58/08/403085808.db2.gz VYHCAJQOLGRZBQ-UHFFFAOYSA-N 1 1 310.373 2.172 20 5 DEBDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000276124087 403147502 /nfs/dbraw/zinc/14/75/02/403147502.db2.gz CBTRJZKZJAGXEP-SECBINFHSA-N 1 1 306.288 2.454 20 5 DEBDMO Cc1c(CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000269630018 403151856 /nfs/dbraw/zinc/15/18/56/403151856.db2.gz PFSOMISPCJDPLP-ZBFHGGJFSA-N 1 1 317.389 2.189 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000277547718 403229789 /nfs/dbraw/zinc/22/97/89/403229789.db2.gz IMPKBXQXJVBQMX-GFCCVEGCSA-N 1 1 321.377 2.017 20 5 DEBDMO COCC1(O)CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000270388395 403186542 /nfs/dbraw/zinc/18/65/42/403186542.db2.gz RUFYTKIQWKGOOY-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000270972092 403246927 /nfs/dbraw/zinc/24/69/27/403246927.db2.gz QCEAZKQZRPFROS-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000270972092 403246930 /nfs/dbraw/zinc/24/69/30/403246930.db2.gz QCEAZKQZRPFROS-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@@H+](CCCO)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000271206614 403278664 /nfs/dbraw/zinc/27/86/64/403278664.db2.gz SFYFAADCODCZSS-UHFFFAOYSA-N 1 1 304.293 2.401 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292138673 403303366 /nfs/dbraw/zinc/30/33/66/403303366.db2.gz HRWXHCSBQNZPNP-MRXNPFEDSA-N 1 1 303.362 2.071 20 5 DEBDMO COC1(CC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000339036873 403331160 /nfs/dbraw/zinc/33/11/60/403331160.db2.gz FNOSXPBSOVHGAG-CYBMUJFWSA-N 1 1 320.393 2.435 20 5 DEBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000331285259 403369426 /nfs/dbraw/zinc/36/94/26/403369426.db2.gz LKYLFDWISSQNJA-IOASZLSFSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000331285260 403369660 /nfs/dbraw/zinc/36/96/60/403369660.db2.gz LKYLFDWISSQNJA-WWGRRREGSA-N 1 1 308.378 2.455 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)cs1 ZINC000331534415 403410402 /nfs/dbraw/zinc/41/04/02/403410402.db2.gz HHHRBKAXFJNFAE-JHJVBQTASA-N 1 1 312.391 2.018 20 5 DEBDMO O=C(CC[N@@H+]1CCC[C@H](CO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000339753390 403439433 /nfs/dbraw/zinc/43/94/33/403439433.db2.gz MBQGLQVSZMLJIE-ZDUSSCGKSA-N 1 1 321.377 2.018 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000345905112 403527539 /nfs/dbraw/zinc/52/75/39/403527539.db2.gz LEUULMNIWLKUHK-STQMWFEESA-N 1 1 319.405 2.387 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000332249078 403529108 /nfs/dbraw/zinc/52/91/08/403529108.db2.gz ACEWZXGAZPOQII-CQSZACIVSA-N 1 1 310.329 2.069 20 5 DEBDMO CC[N@H+](CCOC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000299208478 403547021 /nfs/dbraw/zinc/54/70/21/403547021.db2.gz SGIUMOQBORTNGL-UHFFFAOYSA-N 1 1 306.322 2.113 20 5 DEBDMO CC[N@@H+](CCOC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000299208478 403547026 /nfs/dbraw/zinc/54/70/26/403547026.db2.gz SGIUMOQBORTNGL-UHFFFAOYSA-N 1 1 306.322 2.113 20 5 DEBDMO C[C@H]1[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343428568 403586621 /nfs/dbraw/zinc/58/66/21/403586621.db2.gz HCOWUWVXVPBCRE-NWDGAFQWSA-N 1 1 323.418 2.286 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345978510 403557712 /nfs/dbraw/zinc/55/77/12/403557712.db2.gz JFYADARGSOGXNW-KGLIPLIRSA-N 1 1 319.405 2.469 20 5 DEBDMO CC[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301371843 403620527 /nfs/dbraw/zinc/62/05/27/403620527.db2.gz VPGOUTNPLBJWHL-UHFFFAOYSA-N 1 1 314.183 2.499 20 5 DEBDMO O=C([C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)N1CCCC1 ZINC000287548822 403621022 /nfs/dbraw/zinc/62/10/22/403621022.db2.gz WGEZBCDVVNJKMN-ZDUSSCGKSA-N 1 1 321.352 2.178 20 5 DEBDMO COc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000301514166 403639852 /nfs/dbraw/zinc/63/98/52/403639852.db2.gz JHSHKUFBQJEHKE-CQSZACIVSA-N 1 1 323.393 2.372 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000343633612 403671677 /nfs/dbraw/zinc/67/16/77/403671677.db2.gz UIZKYIFJEIQXFC-GFCCVEGCSA-N 1 1 321.377 2.208 20 5 DEBDMO CCOc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000301774722 403677320 /nfs/dbraw/zinc/67/73/20/403677320.db2.gz QJCIYYPBZVVLCK-ABAIWWIYSA-N 1 1 309.366 2.125 20 5 DEBDMO CCOc1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000301774722 403677325 /nfs/dbraw/zinc/67/73/25/403677325.db2.gz QJCIYYPBZVVLCK-ABAIWWIYSA-N 1 1 309.366 2.125 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])cc1OC ZINC000294236211 403679993 /nfs/dbraw/zinc/67/99/93/403679993.db2.gz ZOOIKDRLVRKLFW-GFCCVEGCSA-N 1 1 324.377 2.206 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000347371731 403684132 /nfs/dbraw/zinc/68/41/32/403684132.db2.gz PGGBQRDUEDRFCR-LRFDDAOPSA-N 1 1 315.373 2.305 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000347371731 403684134 /nfs/dbraw/zinc/68/41/34/403684134.db2.gz PGGBQRDUEDRFCR-LRFDDAOPSA-N 1 1 315.373 2.305 20 5 DEBDMO CCOC1CC([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000347441439 403710676 /nfs/dbraw/zinc/71/06/76/403710676.db2.gz COLKPFMITDQNKR-UHFFFAOYSA-N 1 1 321.377 2.423 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000294313171 403700816 /nfs/dbraw/zinc/70/08/16/403700816.db2.gz WLJYQWUYZXPJDR-QGZVFWFLSA-N 1 1 317.389 2.082 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000343965324 403810921 /nfs/dbraw/zinc/81/09/21/403810921.db2.gz NHDGOLFQJLROTJ-GFCCVEGCSA-N 1 1 322.365 2.063 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351650347 403829654 /nfs/dbraw/zinc/82/96/54/403829654.db2.gz MKABZHXZPPSUSE-SNVBAGLBSA-N 1 1 310.329 2.197 20 5 DEBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2O1 ZINC000289090986 403830394 /nfs/dbraw/zinc/83/03/94/403830394.db2.gz UNILGARUOLBQNC-UHFFFAOYSA-N 1 1 316.361 2.465 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000343913070 403789208 /nfs/dbraw/zinc/78/92/08/403789208.db2.gz NFBYJTFYZJPMRE-NSHDSACASA-N 1 1 322.365 2.063 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000304783280 403802701 /nfs/dbraw/zinc/80/27/01/403802701.db2.gz HABBSMCBSUGUAF-IJEWVQPXSA-N 1 1 320.389 2.457 20 5 DEBDMO C[C@H]1CCC[C@H](CO)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411398665 403846150 /nfs/dbraw/zinc/84/61/50/403846150.db2.gz JUNNWPWRFMAQNT-SWLSCSKDSA-N 1 1 321.377 2.159 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347773163 403860372 /nfs/dbraw/zinc/86/03/72/403860372.db2.gz GOLVZYHSFMMKNX-ZDUSSCGKSA-N 1 1 309.341 2.338 20 5 DEBDMO Cc1cnccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000567214073 292296507 /nfs/dbraw/zinc/29/65/07/292296507.db2.gz VJJUSTGULQGXJJ-CQSZACIVSA-N 1 1 313.361 2.380 20 5 DEBDMO CC[N@@H+](CCNc1ccc(CC(=O)OC)cc1[N+](=O)[O-])C1CC1 ZINC000295568444 403994968 /nfs/dbraw/zinc/99/49/68/403994968.db2.gz QZACNQVAHGPTDJ-UHFFFAOYSA-N 1 1 321.377 2.207 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347988463 403995562 /nfs/dbraw/zinc/99/55/62/403995562.db2.gz AGBADTNNIXLZFM-JTQLQIEISA-N 1 1 320.324 2.159 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000290035558 404017914 /nfs/dbraw/zinc/01/79/14/404017914.db2.gz GFRMXPJQHQLTJJ-LLVKDONJSA-N 1 1 309.370 2.232 20 5 DEBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000369314217 404044572 /nfs/dbraw/zinc/04/45/72/404044572.db2.gz LYGNSOAWQNRXOC-ZDUSSCGKSA-N 1 1 306.362 2.365 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000369314217 404044578 /nfs/dbraw/zinc/04/45/78/404044578.db2.gz LYGNSOAWQNRXOC-ZDUSSCGKSA-N 1 1 306.362 2.365 20 5 DEBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000412081944 404117728 /nfs/dbraw/zinc/11/77/28/404117728.db2.gz WWNBSMWXZJDWBR-MRXNPFEDSA-N 1 1 322.361 2.379 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000412084195 404119580 /nfs/dbraw/zinc/11/95/80/404119580.db2.gz NOAPJNFABODCQL-OLZOCXBDSA-N 1 1 324.377 2.075 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000290313795 404120615 /nfs/dbraw/zinc/12/06/15/404120615.db2.gz CJKZLDBPDKKKMO-OAHLLOKOSA-N 1 1 317.389 2.348 20 5 DEBDMO Cn1c(C(=O)N2CC[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000349150288 404128149 /nfs/dbraw/zinc/12/81/49/404128149.db2.gz VSPAABXFKAAOPE-UHFFFAOYSA-N 1 1 314.345 2.026 20 5 DEBDMO Cn1c(C(=O)N2CC[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000349150288 404128154 /nfs/dbraw/zinc/12/81/54/404128154.db2.gz VSPAABXFKAAOPE-UHFFFAOYSA-N 1 1 314.345 2.026 20 5 DEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CO)c1ccc(Cl)cc1 ZINC000296285154 404177711 /nfs/dbraw/zinc/17/77/11/404177711.db2.gz MXGLNQPYRIGFCA-CYBMUJFWSA-N 1 1 324.768 2.110 20 5 DEBDMO Cc1cccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000363935511 404258786 /nfs/dbraw/zinc/25/87/86/404258786.db2.gz BQXCNPPYOBJNDW-QWHCGFSZSA-N 1 1 303.362 2.260 20 5 DEBDMO C[C@H]1OCC[C@]12C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000363992122 404278454 /nfs/dbraw/zinc/27/84/54/404278454.db2.gz DVXZYGBOFHVQNL-IOASZLSFSA-N 1 1 306.362 2.363 20 5 DEBDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000363992122 404278460 /nfs/dbraw/zinc/27/84/60/404278460.db2.gz DVXZYGBOFHVQNL-IOASZLSFSA-N 1 1 306.362 2.363 20 5 DEBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccs1 ZINC000350153678 404333456 /nfs/dbraw/zinc/33/34/56/404333456.db2.gz DWMLNWVNOKCIFU-UHFFFAOYSA-N 1 1 310.379 2.001 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000344772397 404360364 /nfs/dbraw/zinc/36/03/64/404360364.db2.gz KMIIAEZMSLKOIG-UHFFFAOYSA-N 1 1 322.409 2.119 20 5 DEBDMO C[C@H]1CC[N@@H+](C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000342143098 404397277 /nfs/dbraw/zinc/39/72/77/404397277.db2.gz VRKMAJJNYYTOCO-VIFPVBQESA-N 1 1 307.379 2.130 20 5 DEBDMO C[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000352640911 404507599 /nfs/dbraw/zinc/50/75/99/404507599.db2.gz USDSBPPMFSAVLR-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000352640911 404507605 /nfs/dbraw/zinc/50/76/05/404507605.db2.gz USDSBPPMFSAVLR-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000351198606 404527198 /nfs/dbraw/zinc/52/71/98/404527198.db2.gz FTLDECYQFZUUGN-OAHLLOKOSA-N 1 1 321.377 2.280 20 5 DEBDMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000297668008 404585631 /nfs/dbraw/zinc/58/56/31/404585631.db2.gz VLQJXUXYTGASAJ-NSHDSACASA-N 1 1 302.334 2.286 20 5 DEBDMO CS[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000342548777 404645112 /nfs/dbraw/zinc/64/51/12/404645112.db2.gz LSICPNIZDCGVJP-GJZGRUSLSA-N 1 1 309.435 2.115 20 5 DEBDMO CS[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000342548777 404645120 /nfs/dbraw/zinc/64/51/20/404645120.db2.gz LSICPNIZDCGVJP-GJZGRUSLSA-N 1 1 309.435 2.115 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000330586786 404693863 /nfs/dbraw/zinc/69/38/63/404693863.db2.gz SRIMFUJZZMMQNN-KGLIPLIRSA-N 1 1 307.394 2.388 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000365842570 404730800 /nfs/dbraw/zinc/73/08/00/404730800.db2.gz QZODDOUNNFJDIE-CQSZACIVSA-N 1 1 302.334 2.247 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000365842570 404730803 /nfs/dbraw/zinc/73/08/03/404730803.db2.gz QZODDOUNNFJDIE-CQSZACIVSA-N 1 1 302.334 2.247 20 5 DEBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000353395684 404821875 /nfs/dbraw/zinc/82/18/75/404821875.db2.gz QTHMBFGEWKAMMU-SWLSCSKDSA-N 1 1 316.361 2.044 20 5 DEBDMO C[C@@H](CCO)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353515932 404854751 /nfs/dbraw/zinc/85/47/51/404854751.db2.gz IOOMFUDKNKJBIP-WFASDCNBSA-N 1 1 318.377 2.026 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CO[C@@H](C)Cc1[nH]cc[nH+]1 ZINC000360956192 404862114 /nfs/dbraw/zinc/86/21/14/404862114.db2.gz ZDUTUONBDDREFO-NSHDSACASA-N 1 1 318.333 2.213 20 5 DEBDMO CCOc1cc(C[N@H+]2CC[C@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000366917826 404870480 /nfs/dbraw/zinc/87/04/80/404870480.db2.gz QTHJLUSAQXRMBJ-MRXNPFEDSA-N 1 1 306.362 2.340 20 5 DEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000354008573 404999654 /nfs/dbraw/zinc/99/96/54/404999654.db2.gz SUPMAWZYEZNEPQ-NSHDSACASA-N 1 1 316.361 2.242 20 5 DEBDMO C[C@@H](CO)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000361484197 405095358 /nfs/dbraw/zinc/09/53/58/405095358.db2.gz IDQDGQLXFIJVPK-LBPRGKRZSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H]1C[C@H](C)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000354204395 405095931 /nfs/dbraw/zinc/09/59/31/405095931.db2.gz OBARLSYHWSSWMQ-RYUDHWBXSA-N 1 1 303.362 2.214 20 5 DEBDMO C[C@H]1C[C@H](C)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 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ZINC000429551990 405436257 /nfs/dbraw/zinc/43/62/57/405436257.db2.gz WLLSXDVTWQDSPC-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO C[C@H]1CC[C@H]([N@@H+](CCO)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000429787248 405449697 /nfs/dbraw/zinc/44/96/97/405449697.db2.gz OOXHAHFZXXOEIK-KBPBESRZSA-N 1 1 308.378 2.457 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421739990 405621751 /nfs/dbraw/zinc/62/17/51/405621751.db2.gz GIEZQKFTTQIBHP-CYBMUJFWSA-N 1 1 305.378 2.426 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000558006914 405639182 /nfs/dbraw/zinc/63/91/82/405639182.db2.gz NROXXYMPSRKKDI-UHFFFAOYSA-N 1 1 309.414 2.430 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000421772936 405639648 /nfs/dbraw/zinc/63/96/48/405639648.db2.gz HVEJRBJGHHNILV-STQMWFEESA-N 1 1 305.378 2.424 20 5 DEBDMO CC1(C)CCC[N@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000457054727 405674510 /nfs/dbraw/zinc/67/45/10/405674510.db2.gz LKTCRJCTMBMZNC-UHFFFAOYSA-N 1 1 305.378 2.128 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000457141566 405721215 /nfs/dbraw/zinc/72/12/15/405721215.db2.gz ZKEINUXKRQFIDS-CYBMUJFWSA-N 1 1 309.341 2.289 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000559758080 405752412 /nfs/dbraw/zinc/75/24/12/405752412.db2.gz DFIMWNMATFGLNP-INIZCTEOSA-N 1 1 319.405 2.282 20 5 DEBDMO O=[N+]([O-])c1cccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000559758080 405752415 /nfs/dbraw/zinc/75/24/15/405752415.db2.gz DFIMWNMATFGLNP-INIZCTEOSA-N 1 1 319.405 2.282 20 5 DEBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1nnc2ccccn21 ZINC000584182787 405845359 /nfs/dbraw/zinc/84/53/59/405845359.db2.gz KZOZNWINWUFGIG-CYBMUJFWSA-N 1 1 309.329 2.415 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000515427593 406068741 /nfs/dbraw/zinc/06/87/41/406068741.db2.gz UDHYSGINMUTIFN-ZDUSSCGKSA-N 1 1 320.393 2.193 20 5 DEBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000475723930 406147788 /nfs/dbraw/zinc/14/77/88/406147788.db2.gz HDKZLMCMWZNMGS-VXGBXAGGSA-N 1 1 322.361 2.377 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000486966185 406194141 /nfs/dbraw/zinc/19/41/41/406194141.db2.gz KBUPNYHYWNNAFC-MNOVXSKESA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000486966185 406194143 /nfs/dbraw/zinc/19/41/43/406194143.db2.gz KBUPNYHYWNNAFC-MNOVXSKESA-N 1 1 323.418 2.481 20 5 DEBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccn1 ZINC000535584276 406224099 /nfs/dbraw/zinc/22/40/99/406224099.db2.gz IROMZOKCPSHBOI-UHFFFAOYSA-N 1 1 316.361 2.062 20 5 DEBDMO C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000571630424 406543943 /nfs/dbraw/zinc/54/39/43/406543943.db2.gz RGMODRYYTKRVJW-SNVBAGLBSA-N 1 1 321.406 2.225 20 5 DEBDMO COCC[NH+](CCOC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174811317 292488783 /nfs/dbraw/zinc/48/87/83/292488783.db2.gz KZZVDSBWRRKTMO-UHFFFAOYSA-N 1 1 302.758 2.343 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000246384449 225226783 /nfs/dbraw/zinc/22/67/83/225226783.db2.gz HIDDYULPUQEUNO-JMSVASOKSA-N 1 1 321.377 2.015 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000291267871 222272537 /nfs/dbraw/zinc/27/25/37/222272537.db2.gz PYAWIZBRLMAGLG-LBPRGKRZSA-N 1 1 323.393 2.454 20 5 DEBDMO CC(C)Oc1nc(NC[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000584361619 424989694 /nfs/dbraw/zinc/98/96/94/424989694.db2.gz XHGRQRNJEJRPNX-ZDUSSCGKSA-N 1 1 322.409 2.919 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000611222075 425079912 /nfs/dbraw/zinc/07/99/12/425079912.db2.gz XBXZFJHTWKOWPR-UWVGGRQHSA-N 1 1 309.395 2.223 20 5 DEBDMO CO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363683072 269069983 /nfs/dbraw/zinc/06/99/83/269069983.db2.gz BSNRFGCAHYKYOU-STQMWFEESA-N 1 1 321.377 2.423 20 5 DEBDMO CO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363683072 269069986 /nfs/dbraw/zinc/06/99/86/269069986.db2.gz BSNRFGCAHYKYOU-STQMWFEESA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520468142 269439833 /nfs/dbraw/zinc/43/98/33/269439833.db2.gz UUACTOFIVLMJJE-XQQFMLRXSA-N 1 1 322.409 2.030 20 5 DEBDMO COCC[N@@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000301760931 274034664 /nfs/dbraw/zinc/03/46/64/274034664.db2.gz CNICMPXPIOGRNG-OKILXGFUSA-N 1 1 307.394 2.449 20 5 DEBDMO CSC[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000135451924 274178741 /nfs/dbraw/zinc/17/87/41/274178741.db2.gz YJVUTHUYPHHFLJ-CQSZACIVSA-N 1 1 323.418 2.385 20 5 DEBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000276563876 274270842 /nfs/dbraw/zinc/27/08/42/274270842.db2.gz MCTDMTIHGWBTLE-WDEREUQCSA-N 1 1 313.785 2.140 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000408071736 274331187 /nfs/dbraw/zinc/33/11/87/274331187.db2.gz LCOATZFANJQZJG-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000408071736 274331188 /nfs/dbraw/zinc/33/11/88/274331188.db2.gz LCOATZFANJQZJG-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000273630259 274354544 /nfs/dbraw/zinc/35/45/44/274354544.db2.gz QHSUYRBQFUBHIO-CYBMUJFWSA-N 1 1 313.361 2.096 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC[C@H]3CCCO3)C2)nc1 ZINC000249301540 275037177 /nfs/dbraw/zinc/03/71/77/275037177.db2.gz NRUSXUMPWZZOTF-TZMCWYRMSA-N 1 1 306.366 2.045 20 5 DEBDMO CC[N@@H+](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000491862070 279189554 /nfs/dbraw/zinc/18/95/54/279189554.db2.gz APDFLNOCZUCPBR-YFHOEESVSA-N 1 1 305.378 2.455 20 5 DEBDMO CC(C)c1ccc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000423690220 280593868 /nfs/dbraw/zinc/59/38/68/280593868.db2.gz 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DEBDMO C[C@H](NC(=O)NCC[N@H+]1CCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000894016409 636093155 /nfs/dbraw/zinc/09/31/55/636093155.db2.gz QWLNJEKIRTYKMG-STQMWFEESA-N 1 1 320.393 2.439 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC000726880733 636480251 /nfs/dbraw/zinc/48/02/51/636480251.db2.gz IPMITYNXBPXZQF-OAHLLOKOSA-N 1 1 306.362 2.365 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)[C@H](CO)CC(C)C)c1[N+](=O)[O-] ZINC000894495984 637073668 /nfs/dbraw/zinc/07/36/68/637073668.db2.gz NXQQBAAZSXTZPW-LBPRGKRZSA-N 1 1 312.366 2.148 20 5 DEBDMO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928432203 637192186 /nfs/dbraw/zinc/19/21/86/637192186.db2.gz QIEXYQXHGHOOFQ-AAEUAGOBSA-N 1 1 321.377 2.204 20 5 DEBDMO CCC(=O)c1ccc(N[C@H]2Cc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000894995810 637368081 /nfs/dbraw/zinc/36/80/81/637368081.db2.gz GRLPFRPWLPFBPY-NSHDSACASA-N 1 1 300.318 2.421 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000895092286 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C[N@@H+](CC1CC(C)(C)C1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985433136 639402571 /nfs/dbraw/zinc/40/25/71/639402571.db2.gz ILQHSCNJQWFGSH-HUUCEWRRSA-N 1 1 323.437 2.011 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)OCCCn1cc[nH+]c1C ZINC000755658623 639574541 /nfs/dbraw/zinc/57/45/41/639574541.db2.gz QDCIDMAGVGXKKP-UHFFFAOYSA-N 1 1 319.317 2.355 20 5 DEBDMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000923983526 639721883 /nfs/dbraw/zinc/72/18/83/639721883.db2.gz SJWPECPPZDWMME-WZRBSPASSA-N 1 1 306.366 2.048 20 5 DEBDMO COC(C)(C)C[N@@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000758403998 639955711 /nfs/dbraw/zinc/95/57/11/639955711.db2.gz DYPPNMGXSDWWGN-UHFFFAOYSA-N 1 1 319.365 2.168 20 5 DEBDMO COc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000764372333 640629191 /nfs/dbraw/zinc/62/91/91/640629191.db2.gz JAFGKVVLEJXRHS-OAHLLOKOSA-N 1 1 317.345 2.164 20 5 DEBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000897624789 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321.358 2.435 20 5 DEBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000776295888 642156299 /nfs/dbraw/zinc/15/62/99/642156299.db2.gz TUBKVTNSUWPFBS-VIFPVBQESA-N 1 1 312.757 2.321 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000900098615 642260932 /nfs/dbraw/zinc/26/09/32/642260932.db2.gz INXHNYBPDYDFPH-CYBMUJFWSA-N 1 1 303.362 2.357 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000900098615 642260935 /nfs/dbraw/zinc/26/09/35/642260935.db2.gz INXHNYBPDYDFPH-CYBMUJFWSA-N 1 1 303.362 2.357 20 5 DEBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900241260 642298185 /nfs/dbraw/zinc/29/81/85/642298185.db2.gz RAGSZPMWXYSOOC-ZFWWWQNUSA-N 1 1 303.362 2.228 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000778228460 642355341 /nfs/dbraw/zinc/35/53/41/642355341.db2.gz JNOISGSHFHUHNA-UONOGXRCSA-N 1 1 302.334 2.188 20 5 DEBDMO 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2.169 20 5 DEBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000861345276 686049749 /nfs/dbraw/zinc/04/97/49/686049749.db2.gz RISDJGXVGUBGEZ-XJKSGUPXSA-N 1 1 322.361 2.169 20 5 DEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000863031586 686422181 /nfs/dbraw/zinc/42/21/81/686422181.db2.gz IFKRGGDTXWSQFF-CYBMUJFWSA-N 1 1 321.352 2.481 20 5 DEBDMO C[C@@H]1CC[C@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]1 ZINC000863545234 686519018 /nfs/dbraw/zinc/51/90/18/686519018.db2.gz MHRSHTMGUAYBGY-HIFRSBDPSA-N 1 1 318.421 2.294 20 5 DEBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)CCC1(O)CCC1)C2 ZINC000930100415 694090223 /nfs/dbraw/zinc/09/02/23/694090223.db2.gz VKNYTIFSEKZVIU-CQSZACIVSA-N 1 1 320.389 2.009 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C2CC2)cc1 ZINC000930140497 694098885 /nfs/dbraw/zinc/09/88/85/694098885.db2.gz BARGBOZZRYZLTD-JQFCIGGWSA-N 1 1 318.373 2.363 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CN(c2ccncn2)C1 ZINC000865749875 687322138 /nfs/dbraw/zinc/32/21/38/687322138.db2.gz YQNDARSLOHHOFM-UHFFFAOYSA-N 1 1 319.752 2.017 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866000397 687405420 /nfs/dbraw/zinc/40/54/20/687405420.db2.gz YJYZIVBJVJFBJC-AWEZNQCLSA-N 1 1 323.368 2.075 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000866153355 687468136 /nfs/dbraw/zinc/46/81/36/687468136.db2.gz OIJMNYVSTRSMBU-BXUZGUMPSA-N 1 1 304.350 2.153 20 5 DEBDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000866193987 687486001 /nfs/dbraw/zinc/48/60/01/687486001.db2.gz FQHSKGWYMRMBQY-ZDUSSCGKSA-N 1 1 300.318 2.294 20 5 DEBDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000866193987 687486005 /nfs/dbraw/zinc/48/60/05/687486005.db2.gz FQHSKGWYMRMBQY-ZDUSSCGKSA-N 1 1 300.318 2.294 20 5 DEBDMO C[C@@H]1CC[C@@H](C)N(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867944847 687844989 /nfs/dbraw/zinc/84/49/89/687844989.db2.gz JYVUTWIQARVZRY-XHBSWPGZSA-N 1 1 305.378 2.416 20 5 DEBDMO O=[N+]([O-])CCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000930565434 694191184 /nfs/dbraw/zinc/19/11/84/694191184.db2.gz WJJRJBNAWKCDSS-UHFFFAOYSA-N 1 1 303.406 2.251 20 5 DEBDMO Cc1c(CC(=O)N2CC[N@H+](C)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000871155378 688738301 /nfs/dbraw/zinc/73/83/01/688738301.db2.gz WFSOLILDNFVQCT-UHFFFAOYSA-N 1 1 319.405 2.388 20 5 DEBDMO Cc1cc(NC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000930732344 694228655 /nfs/dbraw/zinc/22/86/55/694228655.db2.gz GWMLEFCGUROSSH-ZDUSSCGKSA-N 1 1 306.366 2.461 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000872778443 689090572 /nfs/dbraw/zinc/09/05/72/689090572.db2.gz HXDHRHZFJHPZJG-RYUDHWBXSA-N 1 1 306.322 2.176 20 5 DEBDMO Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874849888 689518993 /nfs/dbraw/zinc/51/89/93/689518993.db2.gz ZPWQDDBGUISRRM-UONOGXRCSA-N 1 1 303.362 2.212 20 5 DEBDMO Cn1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])n1 ZINC000876809538 689944026 /nfs/dbraw/zinc/94/40/26/689944026.db2.gz ZIUAJPRQVFLNBT-STQMWFEESA-N 1 1 320.349 2.009 20 5 DEBDMO Cn1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])n1 ZINC000876809538 689944029 /nfs/dbraw/zinc/94/40/29/689944029.db2.gz ZIUAJPRQVFLNBT-STQMWFEESA-N 1 1 320.349 2.009 20 5 DEBDMO C[C@@]([NH3+])(C(=O)N1CCC(C)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000877203904 690045290 /nfs/dbraw/zinc/04/52/90/690045290.db2.gz YQWLHJLISFMCCW-HNNXBMFYSA-N 1 1 309.341 2.119 20 5 DEBDMO CN(C)CC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000877348542 690084843 /nfs/dbraw/zinc/08/48/43/690084843.db2.gz IRAGEVDFGLZYJM-UHFFFAOYSA-N 1 1 321.425 2.206 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000877485085 690128094 /nfs/dbraw/zinc/12/80/94/690128094.db2.gz KCMDYTNOFODMPK-CQSZACIVSA-N 1 1 321.421 2.364 20 5 DEBDMO Cn1cc(C[N@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)c([N+](=O)[O-])n1 ZINC000879248027 690602465 /nfs/dbraw/zinc/60/24/65/690602465.db2.gz ZEKQZAPCYHXDNA-HUUCEWRRSA-N 1 1 316.361 2.026 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](OC)CC[C@@H]2C)c1 ZINC000879324051 690619916 /nfs/dbraw/zinc/61/99/16/690619916.db2.gz BMZULVHPHHJVPQ-SMDDNHRTSA-N 1 1 322.361 2.381 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](OC)CC[C@@H]2C)c1 ZINC000879324051 690619920 /nfs/dbraw/zinc/61/99/20/690619920.db2.gz BMZULVHPHHJVPQ-SMDDNHRTSA-N 1 1 322.361 2.381 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC000879563632 690672305 /nfs/dbraw/zinc/67/23/05/690672305.db2.gz TWKOVFFFZCBGFL-VNHYZAJKSA-N 1 1 308.403 2.313 20 5 DEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000879608407 690687020 /nfs/dbraw/zinc/68/70/20/690687020.db2.gz BEHCVHZPOXKZEA-ZDUSSCGKSA-N 1 1 306.366 2.373 20 5 DEBDMO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880429434 690897147 /nfs/dbraw/zinc/89/71/47/690897147.db2.gz WGVZPUYCWCGVLB-OCCSQVGLSA-N 1 1 314.769 2.484 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H](C3CCOCC3)C2)n1 ZINC000880575374 690931186 /nfs/dbraw/zinc/93/11/86/690931186.db2.gz CGAPCDAGWFTUHI-HNNXBMFYSA-N 1 1 322.409 2.320 20 5 DEBDMO C[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000882395642 691275454 /nfs/dbraw/zinc/27/54/54/691275454.db2.gz VYUUURLOJXFFKE-NSHDSACASA-N 1 1 308.357 2.440 20 5 DEBDMO CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001040701084 691280432 /nfs/dbraw/zinc/28/04/32/691280432.db2.gz SYUVTJHRVWFZRE-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000931610462 694439330 /nfs/dbraw/zinc/43/93/30/694439330.db2.gz PTSFHJGJVLTBGU-BMIGLBTASA-N 1 1 322.340 2.149 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000882492420 691296569 /nfs/dbraw/zinc/29/65/69/691296569.db2.gz RUNURJYOBNZVLI-SNVBAGLBSA-N 1 1 309.391 2.141 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931611383 694440007 /nfs/dbraw/zinc/44/00/07/694440007.db2.gz UAPZHCQYCZMSAG-TVQRCGJNSA-N 1 1 322.340 2.338 20 5 DEBDMO CC1CC[NH+](Cc2cn(Cc3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000883994187 691629607 /nfs/dbraw/zinc/62/96/07/691629607.db2.gz OUFVYSSIEJVGET-UHFFFAOYSA-N 1 1 315.377 2.467 20 5 DEBDMO C[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000931781313 694477456 /nfs/dbraw/zinc/47/74/56/694477456.db2.gz XWAGAUXCHTXVFG-LLVKDONJSA-N 1 1 323.368 2.265 20 5 DEBDMO CC[N@@H+](CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000931836082 694488849 /nfs/dbraw/zinc/48/88/49/694488849.db2.gz UNBUFXCFYOHWSM-UHFFFAOYSA-N 1 1 323.368 2.267 20 5 DEBDMO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000886018564 691984919 /nfs/dbraw/zinc/98/49/19/691984919.db2.gz CGXXDZUXXGTLLP-ZDUSSCGKSA-N 1 1 301.346 2.373 20 5 DEBDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000886018564 691984920 /nfs/dbraw/zinc/98/49/20/691984920.db2.gz CGXXDZUXXGTLLP-ZDUSSCGKSA-N 1 1 301.346 2.373 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000886289212 692045867 /nfs/dbraw/zinc/04/58/67/692045867.db2.gz PQJLVNTVWZPKSJ-IYBDPMFKSA-N 1 1 303.362 2.382 20 5 DEBDMO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886304145 692050303 /nfs/dbraw/zinc/05/03/03/692050303.db2.gz ORCJTVSBZNELSR-PTEHBNRSSA-N 1 1 307.350 2.152 20 5 DEBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886304145 692050306 /nfs/dbraw/zinc/05/03/06/692050306.db2.gz ORCJTVSBZNELSR-PTEHBNRSSA-N 1 1 307.350 2.152 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931941085 694511721 /nfs/dbraw/zinc/51/17/21/694511721.db2.gz ODMAURJHWYUXOC-GFCCVEGCSA-N 1 1 318.333 2.284 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931941085 694511725 /nfs/dbraw/zinc/51/17/25/694511725.db2.gz ODMAURJHWYUXOC-GFCCVEGCSA-N 1 1 318.333 2.284 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931941086 694511956 /nfs/dbraw/zinc/51/19/56/694511956.db2.gz ODMAURJHWYUXOC-LBPRGKRZSA-N 1 1 318.333 2.284 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931941086 694511957 /nfs/dbraw/zinc/51/19/57/694511957.db2.gz ODMAURJHWYUXOC-LBPRGKRZSA-N 1 1 318.333 2.284 20 5 DEBDMO Cc1nc([C@@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)no1 ZINC000931946624 694512374 /nfs/dbraw/zinc/51/23/74/694512374.db2.gz IELGXBVKNXLHNF-SNVBAGLBSA-N 1 1 306.297 2.415 20 5 DEBDMO Cc1nc([C@@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)no1 ZINC000931946624 694512376 /nfs/dbraw/zinc/51/23/76/694512376.db2.gz IELGXBVKNXLHNF-SNVBAGLBSA-N 1 1 306.297 2.415 20 5 DEBDMO Cc1nc([C@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000931947742 694513717 /nfs/dbraw/zinc/51/37/17/694513717.db2.gz UOLUVYVPGBNPHK-LBPRGKRZSA-N 1 1 318.333 2.155 20 5 DEBDMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000887400681 692355105 /nfs/dbraw/zinc/35/51/05/692355105.db2.gz HPMRMGJUTOPMSZ-NSHDSACASA-N 1 1 302.334 2.020 20 5 DEBDMO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000887401491 692355350 /nfs/dbraw/zinc/35/53/50/692355350.db2.gz XBSDMUXNRRSPSI-MLGOLLRUSA-N 1 1 317.389 2.441 20 5 DEBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c(F)c1 ZINC000896519321 693002819 /nfs/dbraw/zinc/00/28/19/693002819.db2.gz ULEVILHDOOHIPT-ZDUSSCGKSA-N 1 1 309.341 2.399 20 5 DEBDMO C[C@@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000925231291 693244675 /nfs/dbraw/zinc/24/46/75/693244675.db2.gz HIFGBWXPTQULCY-DOMZBBRYSA-N 1 1 318.377 2.145 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC001348224977 1151134824 /nfs/dbraw/zinc/13/48/24/1151134824.db2.gz WXPMSZHJLVMTKL-WCQGTBRESA-N 1 1 323.780 2.318 20 5 DEBDMO CCC[N@@H+](C)CC(=O)N(CC)CCNc1ccccc1[N+](=O)[O-] ZINC001106809548 782953998 /nfs/dbraw/zinc/95/39/98/782953998.db2.gz YAGCOZXEXTZGCJ-UHFFFAOYSA-N 1 1 322.409 2.197 20 5 DEBDMO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nnnn1C1CC1 ZINC000588582313 777512446 /nfs/dbraw/zinc/51/24/46/777512446.db2.gz GSXFVARJECHNPF-VLWUPBBWSA-N 1 1 314.349 2.280 20 5 DEBDMO COc1cc([N+](=O)[O-])c(NCC[NH+]2CCSCC2)cc1F ZINC001167837372 778695250 /nfs/dbraw/zinc/69/52/50/778695250.db2.gz QBAISDKCZAXPPA-UHFFFAOYSA-N 1 1 315.370 2.203 20 5 DEBDMO NC1(c2ccccc2)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997507 784996560 /nfs/dbraw/zinc/99/65/60/784996560.db2.gz CUDHDXLRDFBSCR-HOCLYGCPSA-N 1 1 303.406 2.382 20 5 DEBDMO [NH3+]C1(c2ccccc2)CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997507 784996565 /nfs/dbraw/zinc/99/65/65/784996565.db2.gz CUDHDXLRDFBSCR-HOCLYGCPSA-N 1 1 303.406 2.382 20 5 DEBDMO COC(=O)c1cccc2c1C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169036333 785011611 /nfs/dbraw/zinc/01/16/11/785011611.db2.gz NOIFQGCRENOQOT-AAEUAGOBSA-N 1 1 304.346 2.234 20 5 DEBDMO C[N@@H+](CCCC(=O)c1cccnc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038009 785012543 /nfs/dbraw/zinc/01/25/43/785012543.db2.gz VACHGLWENROOTI-HIFRSBDPSA-N 1 1 305.378 2.422 20 5 DEBDMO COC(=O)c1cccc(C[N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169038914 785013065 /nfs/dbraw/zinc/01/30/65/785013065.db2.gz LHDMEKNWKVJHRE-DZGCQCFKSA-N 1 1 306.362 2.350 20 5 DEBDMO CSc1ncc2c(n1)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169041593 785014505 /nfs/dbraw/zinc/01/45/05/785014505.db2.gz BJVGBAJKOGASEJ-CMPLNLGQSA-N 1 1 308.407 2.002 20 5 DEBDMO CCC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(C(C)=O)CC1 ZINC001169040000 785014802 /nfs/dbraw/zinc/01/48/02/785014802.db2.gz WSPNXULZIIMPFJ-HOCLYGCPSA-N 1 1 311.426 2.155 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H](N2CC[NH+](CCc3cccs3)CC2)C1 ZINC001169026093 785018361 /nfs/dbraw/zinc/01/83/61/785018361.db2.gz KNFPCIRVNBSJKT-GJZGRUSLSA-N 1 1 323.462 2.354 20 5 DEBDMO CCOC(=O)C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169057905 785025765 /nfs/dbraw/zinc/02/57/65/785025765.db2.gz YWDJXTOYSXJTFG-LJISPDSOSA-N 1 1 312.410 2.343 20 5 DEBDMO C[N@@H+]1CCc2c(NCc3ncccc3O)ccc([N+](=O)[O-])c2C1 ZINC001169731235 785342055 /nfs/dbraw/zinc/34/20/55/785342055.db2.gz FBGIWHPZBYATAW-UHFFFAOYSA-N 1 1 314.345 2.295 20 5 DEBDMO C[N@H+]1CCc2c(NCc3ncccc3O)ccc([N+](=O)[O-])c2C1 ZINC001169731235 785342059 /nfs/dbraw/zinc/34/20/59/785342059.db2.gz FBGIWHPZBYATAW-UHFFFAOYSA-N 1 1 314.345 2.295 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC001144940699 791134969 /nfs/dbraw/zinc/13/49/69/791134969.db2.gz CSSVBOOQKOKZRB-UHFFFAOYSA-N 1 1 323.393 2.455 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2cnccn2)c([N+](=O)[O-])c1 ZINC001170345260 786930678 /nfs/dbraw/zinc/93/06/78/786930678.db2.gz JHWJYVOICDXHGV-LBPRGKRZSA-N 1 1 316.361 2.456 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@H](F)C[C@@H](CO)C1)CC2 ZINC001172908877 793524946 /nfs/dbraw/zinc/52/49/46/793524946.db2.gz PBYJIYGIJOFNBH-DAXOMENPSA-N 1 1 322.380 2.495 20 5 DEBDMO COC(=O)CC[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921907 793533170 /nfs/dbraw/zinc/53/31/70/793533170.db2.gz VPEIJIYCBKEZMM-CQSZACIVSA-N 1 1 306.362 2.337 20 5 DEBDMO C[C@H]1C(=O)N(C)CC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922588 793533303 /nfs/dbraw/zinc/53/33/03/793533303.db2.gz ZBCNBMAVUVOHFG-SWLSCSKDSA-N 1 1 317.389 2.005 20 5 DEBDMO CC(=O)[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172911407 793543428 /nfs/dbraw/zinc/54/34/28/793543428.db2.gz BHGJYRKZQRHTAG-WBVHZDCISA-N 1 1 318.373 2.132 20 5 DEBDMO CC(=O)[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172911407 793543432 /nfs/dbraw/zinc/54/34/32/793543432.db2.gz BHGJYRKZQRHTAG-WBVHZDCISA-N 1 1 318.373 2.132 20 5 DEBDMO CCOC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001173230792 793645142 /nfs/dbraw/zinc/64/51/42/793645142.db2.gz GJXLPZPGHUVPCB-DANNLKNASA-N 1 1 318.373 2.267 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001116573498 794970282 /nfs/dbraw/zinc/97/02/82/794970282.db2.gz LRYKDVTVSZMUIU-LBPRGKRZSA-N 1 1 322.340 2.436 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001116729069 794981782 /nfs/dbraw/zinc/98/17/82/794981782.db2.gz ITDRRMFJILKSFS-STQMWFEESA-N 1 1 322.409 2.020 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)CC(C)C ZINC001118302636 795175139 /nfs/dbraw/zinc/17/51/39/795175139.db2.gz ZORSXTSMGVVRBE-UHFFFAOYSA-N 1 1 322.409 2.344 20 5 DEBDMO O=C(OC[C@H]1CC[N@H+]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001123247658 795879406 /nfs/dbraw/zinc/87/94/06/795879406.db2.gz MUCJFCYZDATRMW-CYBMUJFWSA-N 1 1 320.345 2.005 20 5 DEBDMO O=C1OCC[C@]12CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC001184389092 796052089 /nfs/dbraw/zinc/05/20/89/796052089.db2.gz URZZCVQRACXQGL-AWEZNQCLSA-N 1 1 310.737 2.387 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001187446305 796537693 /nfs/dbraw/zinc/53/76/93/796537693.db2.gz WVKCDIXXJNTYJB-TXEJJXNPSA-N 1 1 321.377 2.300 20 5 DEBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)C(N)=O ZINC001142939432 796787375 /nfs/dbraw/zinc/78/73/75/796787375.db2.gz AFKUNBYVNYPNAV-UHFFFAOYSA-N 1 1 322.368 2.186 20 5 DEBDMO C[NH+]1CCN(C(=O)c2ccnc3c2ccc2cccnc23)CC1 ZINC001155805476 797852887 /nfs/dbraw/zinc/85/28/87/797852887.db2.gz FRRNIOOPVLMMCN-UHFFFAOYSA-N 1 1 306.369 2.171 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001156387880 797990840 /nfs/dbraw/zinc/99/08/40/797990840.db2.gz HQFLHCJTDPQWBI-JTQLQIEISA-N 1 1 314.773 2.025 20 5 DEBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001157002267 798125705 /nfs/dbraw/zinc/12/57/05/798125705.db2.gz WDRXZGOSLYUTAY-CYBMUJFWSA-N 1 1 315.377 2.457 20 5 DEBDMO O=[N+]([O-])c1cc(F)c(CN2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c(F)c1 ZINC001198421004 798331826 /nfs/dbraw/zinc/33/18/26/798331826.db2.gz CVKWZOGISLBRDJ-ONGXEEELSA-N 1 1 315.295 2.101 20 5 DEBDMO O=[N+]([O-])c1cc(F)c(CN2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c(F)c1 ZINC001198421004 798331828 /nfs/dbraw/zinc/33/18/28/798331828.db2.gz CVKWZOGISLBRDJ-ONGXEEELSA-N 1 1 315.295 2.101 20 5 DEBDMO CC[N@H+]1CCN(c2nc(Cl)nc(C)c2[N+](=O)[O-])C(C)(C)C1 ZINC001158561318 798428970 /nfs/dbraw/zinc/42/89/70/798428970.db2.gz OBJLEXWNZHERJE-UHFFFAOYSA-N 1 1 313.789 2.267 20 5 DEBDMO Cc1cnc(NCC[NH+]2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC001160748688 798736006 /nfs/dbraw/zinc/73/60/06/798736006.db2.gz ZTWKTRSZMAJUKH-UHFFFAOYSA-N 1 1 300.309 2.441 20 5 DEBDMO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])cc(Cl)n2)c2ccncc12 ZINC001160944835 798767137 /nfs/dbraw/zinc/76/71/37/798767137.db2.gz ZGBWGUWKQSMPFK-UHFFFAOYSA-N 1 1 317.736 2.483 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001160968929 798772530 /nfs/dbraw/zinc/77/25/30/798772530.db2.gz PYKBQOXBUGGJHW-LLVKDONJSA-N 1 1 301.350 2.434 20 5 DEBDMO COc1nc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001161180534 798806456 /nfs/dbraw/zinc/80/64/56/798806456.db2.gz ISJYZJBAKAPURM-LBPRGKRZSA-N 1 1 321.381 2.070 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001164177069 799532772 /nfs/dbraw/zinc/53/27/72/799532772.db2.gz MZEITXRMOZMTRX-ZYHUDNBSSA-N 1 1 307.350 2.194 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C1 ZINC001165263085 799689640 /nfs/dbraw/zinc/68/96/40/799689640.db2.gz YORZOGMHMOBJIH-JTQLQIEISA-N 1 1 314.773 2.025 20 5 DEBDMO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C(C)(C)C(=O)OC ZINC000933191554 800036020 /nfs/dbraw/zinc/03/60/20/800036020.db2.gz YVRBWIDPKPGFDP-UHFFFAOYSA-N 1 1 310.350 2.247 20 5 DEBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C(C)(C)C(=O)OC ZINC000933191554 800036026 /nfs/dbraw/zinc/03/60/26/800036026.db2.gz YVRBWIDPKPGFDP-UHFFFAOYSA-N 1 1 310.350 2.247 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccoc1)C1CC1 ZINC000934001881 800239786 /nfs/dbraw/zinc/23/97/86/800239786.db2.gz KAZOTIQZRGFDPC-UHFFFAOYSA-N 1 1 303.318 2.014 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccoc1)C1CC1 ZINC000934001881 800239790 /nfs/dbraw/zinc/23/97/90/800239790.db2.gz KAZOTIQZRGFDPC-UHFFFAOYSA-N 1 1 303.318 2.014 20 5 DEBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncccc3F)CC2)n1 ZINC001205633256 800390460 /nfs/dbraw/zinc/39/04/60/800390460.db2.gz JEDVRCYFABRTQT-UHFFFAOYSA-N 1 1 305.313 2.163 20 5 DEBDMO CCOc1ccc(CC[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000934720085 800435706 /nfs/dbraw/zinc/43/57/06/800435706.db2.gz VYGSBEVKDYRUGM-UHFFFAOYSA-N 1 1 318.377 2.402 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935192087 800590667 /nfs/dbraw/zinc/59/06/67/800590667.db2.gz YANLNYNGSJIMHG-AVRGHOLYSA-N 1 1 317.389 2.249 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000935439832 800661767 /nfs/dbraw/zinc/66/17/67/800661767.db2.gz UBCSHNVUXYHHDE-UHFFFAOYSA-N 1 1 323.418 2.483 20 5 DEBDMO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001217990841 802127812 /nfs/dbraw/zinc/12/78/12/802127812.db2.gz VDCBLYAPCLMYNA-RNCFNFMXSA-N 1 1 318.333 2.011 20 5 DEBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CC[N@H+](C(C)C)C1 ZINC001222774732 802739005 /nfs/dbraw/zinc/73/90/05/802739005.db2.gz SYJNGZICQAEVOB-GFCCVEGCSA-N 1 1 322.361 2.381 20 5 DEBDMO CC[N@H+]1CCC[C@@H](OCc2cccc([N+](=O)[O-])c2C(=O)OC)C1 ZINC001223296067 802779380 /nfs/dbraw/zinc/77/93/80/802779380.db2.gz WUIHLEDPDLJROH-CYBMUJFWSA-N 1 1 322.361 2.382 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CO[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001224707987 802895822 /nfs/dbraw/zinc/89/58/22/802895822.db2.gz VCKBVXJRVGHLRI-CABCVRRESA-N 1 1 320.393 2.069 20 5 DEBDMO CC[N@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225896187 803026653 /nfs/dbraw/zinc/02/66/53/803026653.db2.gz DAPPHCVPDBYQHI-SECBINFHSA-N 1 1 305.256 2.482 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226437518 803108460 /nfs/dbraw/zinc/10/84/60/803108460.db2.gz XIQNKBHUNZOIIL-GFCCVEGCSA-N 1 1 302.334 2.400 20 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Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1CCO ZINC000070950550 354892737 /nfs/dbraw/zinc/89/27/37/354892737.db2.gz WCOFUXHHOFRRPQ-CYBMUJFWSA-N 1 1 321.377 2.079 20 5 DEBDMO COc1cc(C(=O)N2CCC[N@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000075693398 355101870 /nfs/dbraw/zinc/10/18/70/355101870.db2.gz RPDHXDJNIHMPMJ-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000080465969 355365182 /nfs/dbraw/zinc/36/51/82/355365182.db2.gz ZEDMHZIGOKLOMA-AWEZNQCLSA-N 1 1 317.389 2.399 20 5 DEBDMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000081519754 355435230 /nfs/dbraw/zinc/43/52/30/355435230.db2.gz DSMIJRMHPRDPSJ-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000081519754 355435233 /nfs/dbraw/zinc/43/52/33/355435233.db2.gz DSMIJRMHPRDPSJ-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CCN(C)C)CC2)c1 ZINC000088700711 355518142 /nfs/dbraw/zinc/51/81/42/355518142.db2.gz KEAYMGAUEDIELE-UHFFFAOYSA-N 1 1 306.410 2.341 20 5 DEBDMO CCc1nn(C)c(NCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000094149609 355694392 /nfs/dbraw/zinc/69/43/92/355694392.db2.gz RSHBIUYIIOQKAI-UHFFFAOYSA-N 1 1 317.393 2.435 20 5 DEBDMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000111291368 355747306 /nfs/dbraw/zinc/74/73/06/355747306.db2.gz ODEVJZHJYQWWPX-HNNXBMFYSA-N 1 1 303.362 2.182 20 5 DEBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000111291368 355747309 /nfs/dbraw/zinc/74/73/09/355747309.db2.gz ODEVJZHJYQWWPX-HNNXBMFYSA-N 1 1 303.362 2.182 20 5 DEBDMO CCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000122649271 355801225 /nfs/dbraw/zinc/80/12/25/355801225.db2.gz XWEHZIAIRUZAGT-SWLSCSKDSA-N 1 1 321.377 2.423 20 5 DEBDMO CCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000122649271 355801228 /nfs/dbraw/zinc/80/12/28/355801228.db2.gz XWEHZIAIRUZAGT-SWLSCSKDSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[N@@H+](C)C1CC1 ZINC000185179455 356203261 /nfs/dbraw/zinc/20/32/61/356203261.db2.gz BEHBTCAQDQNOKZ-GHMZBOCLSA-N 1 1 323.368 2.436 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000198962827 356265972 /nfs/dbraw/zinc/26/59/72/356265972.db2.gz XDIBCYXDRDAMAT-GFCCVEGCSA-N 1 1 303.362 2.358 20 5 DEBDMO CC[N@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286654000 356371633 /nfs/dbraw/zinc/37/16/33/356371633.db2.gz UHNBZJJBUFRPAM-CQSZACIVSA-N 1 1 307.394 2.390 20 5 DEBDMO CCN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286654000 356371634 /nfs/dbraw/zinc/37/16/34/356371634.db2.gz UHNBZJJBUFRPAM-CQSZACIVSA-N 1 1 307.394 2.390 20 5 DEBDMO C[C@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550801 291098659 /nfs/dbraw/zinc/09/86/59/291098659.db2.gz NXRWBUBKALSUNB-YDHLFZDLSA-N 1 1 305.378 2.410 20 5 DEBDMO CCC[N@H+](C)Cc1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000350657360 356555206 /nfs/dbraw/zinc/55/52/06/356555206.db2.gz JHCIDPYGUFOLIM-UHFFFAOYSA-N 1 1 320.349 2.419 20 5 DEBDMO CCC[N@@H+](C)Cc1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000350657360 356555211 /nfs/dbraw/zinc/55/52/11/356555211.db2.gz JHCIDPYGUFOLIM-UHFFFAOYSA-N 1 1 320.349 2.419 20 5 DEBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H](O)C1CC1 ZINC000589196973 357453826 /nfs/dbraw/zinc/45/38/26/357453826.db2.gz PXADLMNRWUQYGK-LBPRGKRZSA-N 1 1 316.304 2.399 20 5 DEBDMO Cc1ccc([C@H](C)NC[C@@H](O)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000590605227 357566587 /nfs/dbraw/zinc/56/65/87/357566587.db2.gz FIXHHNPFBPLYCT-DZGCQCFKSA-N 1 1 309.410 2.255 20 5 DEBDMO COCCCC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591357717 357712805 /nfs/dbraw/zinc/71/28/05/357712805.db2.gz YCQMHCBYXYOTRM-UHFFFAOYSA-N 1 1 310.350 2.224 20 5 DEBDMO C[C@H]1C[C@H](CO)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591475967 357729393 /nfs/dbraw/zinc/72/93/93/357729393.db2.gz DJNLISYZEJHCHO-KBPBESRZSA-N 1 1 308.378 2.314 20 5 DEBDMO C[C@@H]1[C@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@H+]1C ZINC000592777047 357941937 /nfs/dbraw/zinc/94/19/37/357941937.db2.gz FVGAYKWYOAVFJE-MLGOLLRUSA-N 1 1 317.389 2.426 20 5 DEBDMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])s2)[C@H](Cc2ccccc2)C1 ZINC000593503835 358092890 /nfs/dbraw/zinc/09/28/90/358092890.db2.gz LWAXZSAUEPBIIG-CYBMUJFWSA-N 1 1 318.402 2.414 20 5 DEBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])s2)[C@H](Cc2ccccc2)C1 ZINC000593503835 358092893 /nfs/dbraw/zinc/09/28/93/358092893.db2.gz LWAXZSAUEPBIIG-CYBMUJFWSA-N 1 1 318.402 2.414 20 5 DEBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(F)c(F)c(F)c1 ZINC000180489195 199165975 /nfs/dbraw/zinc/16/59/75/199165975.db2.gz SNBMDGTYFSRPPV-UHFFFAOYSA-N 1 1 314.267 2.341 20 5 DEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(F)c(F)c(F)c1 ZINC000180489195 199165977 /nfs/dbraw/zinc/16/59/77/199165977.db2.gz SNBMDGTYFSRPPV-UHFFFAOYSA-N 1 1 314.267 2.341 20 5 DEBDMO Cc1noc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000595395401 358439502 /nfs/dbraw/zinc/43/95/02/358439502.db2.gz VGRJLEQERNCXLZ-ZYHUDNBSSA-N 1 1 305.338 2.171 20 5 DEBDMO Cc1noc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000595395401 358439504 /nfs/dbraw/zinc/43/95/04/358439504.db2.gz VGRJLEQERNCXLZ-ZYHUDNBSSA-N 1 1 305.338 2.171 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595808287 358553434 /nfs/dbraw/zinc/55/34/34/358553434.db2.gz CJQKAPVYPHQESK-SRVKXCTJSA-N 1 1 319.361 2.272 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595808287 358553437 /nfs/dbraw/zinc/55/34/37/358553437.db2.gz CJQKAPVYPHQESK-SRVKXCTJSA-N 1 1 319.361 2.272 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1=CCCOC1 ZINC000595750442 358539635 /nfs/dbraw/zinc/53/96/35/358539635.db2.gz BPESVIHBDQOQND-LBPRGKRZSA-N 1 1 319.361 2.200 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1=CCCOC1 ZINC000595750442 358539637 /nfs/dbraw/zinc/53/96/37/358539637.db2.gz BPESVIHBDQOQND-LBPRGKRZSA-N 1 1 319.361 2.200 20 5 DEBDMO C[N@H+](CC1=CCSC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597243148 358866738 /nfs/dbraw/zinc/86/67/38/358866738.db2.gz FSZRFHJHJWKASJ-UHFFFAOYSA-N 1 1 322.386 2.471 20 5 DEBDMO C[N@@H+](CC1=CCSC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597243148 358866742 /nfs/dbraw/zinc/86/67/42/358866742.db2.gz FSZRFHJHJWKASJ-UHFFFAOYSA-N 1 1 322.386 2.471 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000597710882 358985545 /nfs/dbraw/zinc/98/55/45/358985545.db2.gz PRWZRNGDRFUINW-KRWDZBQOSA-N 1 1 317.389 2.461 20 5 DEBDMO O=C(C[N@@H+]1CCCC2(CC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000186949679 200036292 /nfs/dbraw/zinc/03/62/92/200036292.db2.gz WKVPOPBASWNPFI-UHFFFAOYSA-N 1 1 315.373 2.360 20 5 DEBDMO O=C(C[N@H+]1CCCC2(CC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000186949679 200036294 /nfs/dbraw/zinc/03/62/94/200036294.db2.gz WKVPOPBASWNPFI-UHFFFAOYSA-N 1 1 315.373 2.360 20 5 DEBDMO CC[C@@]1(CO)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000187567575 200129017 /nfs/dbraw/zinc/12/90/17/200129017.db2.gz LJDKBVOMRLBRPX-JKSUJKDBSA-N 1 1 308.378 2.113 20 5 DEBDMO Cc1ccc([C@@H](C)NC(=O)c2csc(C[NH3+])n2)cc1[N+](=O)[O-] ZINC000237590859 202294752 /nfs/dbraw/zinc/29/47/52/202294752.db2.gz RCGKISCLKWXABO-SECBINFHSA-N 1 1 320.374 2.309 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCOC[C@@H]3CCOC3)c2c1 ZINC000601115509 359926824 /nfs/dbraw/zinc/92/68/24/359926824.db2.gz HHRZXMWNPUBXNP-GFCCVEGCSA-N 1 1 317.345 2.030 20 5 DEBDMO CCO[C@@H]1C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)[C@@H]1OC ZINC000601142612 359939180 /nfs/dbraw/zinc/93/91/80/359939180.db2.gz WGAHUBFDJDRFHC-XHSDSOJGSA-N 1 1 317.345 2.169 20 5 DEBDMO CO[C@@H]1COCC[C@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601172003 359952559 /nfs/dbraw/zinc/95/25/59/359952559.db2.gz SSXQBSCIPKIRMY-MEDUHNTESA-N 1 1 317.345 2.028 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)Cn1cc[nH+]c1C1CC1 ZINC000601958519 360208959 /nfs/dbraw/zinc/20/89/59/360208959.db2.gz IVWXDTAGIWTTJO-LBPRGKRZSA-N 1 1 303.318 2.109 20 5 DEBDMO CO[C@](C)(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000602475376 360392815 /nfs/dbraw/zinc/39/28/15/360392815.db2.gz VMCIMYYOBNIKLO-CZUORRHYSA-N 1 1 320.393 2.291 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CC([C@@H]4CCOC4)C3)nc2c1 ZINC000602646552 360474415 /nfs/dbraw/zinc/47/44/15/360474415.db2.gz BMZVAQRUNUHILF-SNVBAGLBSA-N 1 1 303.318 2.204 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000602839710 360583685 /nfs/dbraw/zinc/58/36/85/360583685.db2.gz XDWLLHXHCKCGNB-ZFWWWQNUSA-N 1 1 320.393 2.133 20 5 DEBDMO CCc1[nH+]ccn1Cc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000603186319 360738030 /nfs/dbraw/zinc/73/80/30/360738030.db2.gz FXHPPMWXGGQNIZ-UHFFFAOYSA-N 1 1 312.333 2.042 20 5 DEBDMO Cc1nn(CCCc2c[nH+]cn2C)c2ncc([N+](=O)[O-])cc12 ZINC000603317679 360790541 /nfs/dbraw/zinc/79/05/41/360790541.db2.gz ABXFQXLRRFCBRH-UHFFFAOYSA-N 1 1 300.322 2.014 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609345027 361305506 /nfs/dbraw/zinc/30/55/06/361305506.db2.gz JJIZKEUGZVGVDT-JTQLQIEISA-N 1 1 314.345 2.043 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CCO)C1 ZINC000609848920 361344320 /nfs/dbraw/zinc/34/43/20/361344320.db2.gz PSAXMWSNJWRYJA-QWHCGFSZSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CCO)C1 ZINC000609848920 361344324 /nfs/dbraw/zinc/34/43/24/361344324.db2.gz PSAXMWSNJWRYJA-QWHCGFSZSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H]1OCC[C@]12C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO2 ZINC000619431761 363791218 /nfs/dbraw/zinc/79/12/18/363791218.db2.gz SPZDNSXDNVZEQW-SCDWMNTPSA-N 1 1 318.373 2.488 20 5 DEBDMO C[C@@H]1OCC[C@]12C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO2 ZINC000619431761 363791222 /nfs/dbraw/zinc/79/12/22/363791222.db2.gz SPZDNSXDNVZEQW-SCDWMNTPSA-N 1 1 318.373 2.488 20 5 DEBDMO CC(C)[C@H](CNc1ccc([N+](=O)[O-])s1)[NH+]1CCN(C)CC1 ZINC000610272976 361377685 /nfs/dbraw/zinc/37/76/85/361377685.db2.gz XJNREMOMRTUNNB-LBPRGKRZSA-N 1 1 312.439 2.340 20 5 DEBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000610476480 361405500 /nfs/dbraw/zinc/40/55/00/361405500.db2.gz QKEDXPADVDKOCS-IACUBPJLSA-N 1 1 322.409 2.354 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000610476466 361403988 /nfs/dbraw/zinc/40/39/88/361403988.db2.gz NEVLZVAANMHMLE-ZDUSSCGKSA-N 1 1 308.382 2.252 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000610476466 361403992 /nfs/dbraw/zinc/40/39/92/361403992.db2.gz NEVLZVAANMHMLE-ZDUSSCGKSA-N 1 1 308.382 2.252 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+]2CCCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000610990746 361504907 /nfs/dbraw/zinc/50/49/07/361504907.db2.gz LMNKKYOWLVTUMM-GFCCVEGCSA-N 1 1 321.377 2.343 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000611093280 361525216 /nfs/dbraw/zinc/52/52/16/361525216.db2.gz UHCTUOXYJZXDQG-LBPRGKRZSA-N 1 1 306.366 2.461 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611259332 361564731 /nfs/dbraw/zinc/56/47/31/361564731.db2.gz BCLIIWCHVRVGHF-QWRGUYRKSA-N 1 1 304.350 2.260 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611259330 361564909 /nfs/dbraw/zinc/56/49/09/361564909.db2.gz BCLIIWCHVRVGHF-GHMZBOCLSA-N 1 1 304.350 2.260 20 5 DEBDMO Cc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)o1 ZINC000611185672 361542983 /nfs/dbraw/zinc/54/29/83/361542983.db2.gz GRQYSTRNYQEHRQ-UHFFFAOYSA-N 1 1 317.345 2.323 20 5 DEBDMO C[N@H+](CCOCC1CC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611275286 361569727 /nfs/dbraw/zinc/56/97/27/361569727.db2.gz SBCHDWSNRAGTNT-UHFFFAOYSA-N 1 1 322.361 2.224 20 5 DEBDMO C[N@@H+](CCOCC1CC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611275286 361569728 /nfs/dbraw/zinc/56/97/28/361569728.db2.gz SBCHDWSNRAGTNT-UHFFFAOYSA-N 1 1 322.361 2.224 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000611205316 361548603 /nfs/dbraw/zinc/54/86/03/361548603.db2.gz UJRBGUVOCWZDKU-CYBMUJFWSA-N 1 1 321.377 2.282 20 5 DEBDMO CC[C@@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194761611 201284407 /nfs/dbraw/zinc/28/44/07/201284407.db2.gz VWMSZGJBIBLFFJ-OAHLLOKOSA-N 1 1 323.349 2.488 20 5 DEBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194761611 201284409 /nfs/dbraw/zinc/28/44/09/201284409.db2.gz VWMSZGJBIBLFFJ-OAHLLOKOSA-N 1 1 323.349 2.488 20 5 DEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000449570828 291404084 /nfs/dbraw/zinc/40/40/84/291404084.db2.gz CEDVPNOARZQILB-ZDUSSCGKSA-N 1 1 315.732 2.022 20 5 DEBDMO CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451522500 243067172 /nfs/dbraw/zinc/06/71/72/243067172.db2.gz BHMCLKBPTLEXOA-IUODEOHRSA-N 1 1 321.377 2.280 20 5 DEBDMO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451522500 243067179 /nfs/dbraw/zinc/06/71/79/243067179.db2.gz BHMCLKBPTLEXOA-IUODEOHRSA-N 1 1 321.377 2.280 20 5 DEBDMO Cc1nnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000451547618 243099413 /nfs/dbraw/zinc/09/94/13/243099413.db2.gz LEYGVRBPLITBNQ-AWEZNQCLSA-N 1 1 315.377 2.411 20 5 DEBDMO Cc1nnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000451547618 243099417 /nfs/dbraw/zinc/09/94/17/243099417.db2.gz LEYGVRBPLITBNQ-AWEZNQCLSA-N 1 1 315.377 2.411 20 5 DEBDMO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451566964 243137184 /nfs/dbraw/zinc/13/71/84/243137184.db2.gz MWSIQGMERXGZNJ-TYNCELHUSA-N 1 1 321.377 2.279 20 5 DEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1[N+](=O)[O-] ZINC000268110640 284200336 /nfs/dbraw/zinc/20/03/36/284200336.db2.gz IFYAPRPGRXZMQB-STQMWFEESA-N 1 1 307.325 2.091 20 5 DEBDMO CCN(CC)C(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282494225 217037958 /nfs/dbraw/zinc/03/79/58/217037958.db2.gz QEQFZHUJNFVHAK-ZDUSSCGKSA-N 1 1 307.394 2.326 20 5 DEBDMO CC[N@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000288480349 220169183 /nfs/dbraw/zinc/16/91/83/220169183.db2.gz PGZUSLATZZNBFV-PPGNKHEKSA-N 1 1 303.362 2.161 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000268004713 206388683 /nfs/dbraw/zinc/38/86/83/206388683.db2.gz DUTXKTGFHVAABC-ZDUSSCGKSA-N 1 1 304.325 2.420 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000458177297 248185270 /nfs/dbraw/zinc/18/52/70/248185270.db2.gz VJYRVNAGRYGMAF-LLVKDONJSA-N 1 1 309.341 2.196 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492326915 249041254 /nfs/dbraw/zinc/04/12/54/249041254.db2.gz DXGMCXOIWRDSBP-HWKANZROSA-N 1 1 319.336 2.125 20 5 DEBDMO C[N@H+]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273994939 211253389 /nfs/dbraw/zinc/25/33/89/211253389.db2.gz YCIFXUZPIKLEFS-UHFFFAOYSA-N 1 1 323.368 2.176 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCc1c[nH+]cn1C ZINC000553161524 291734636 /nfs/dbraw/zinc/73/46/36/291734636.db2.gz SRUHMZPRBUAWCR-UHFFFAOYSA-N 1 1 318.333 2.078 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC=C(c2ccco2)C1 ZINC000285277389 218362456 /nfs/dbraw/zinc/36/24/56/218362456.db2.gz JCCPPBSUILBUKU-UHFFFAOYSA-N 1 1 315.329 2.139 20 5 DEBDMO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000273564032 210873576 /nfs/dbraw/zinc/87/35/76/210873576.db2.gz DVKPGOLLEJUKKV-PRHODGIISA-N 1 1 308.363 2.139 20 5 DEBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000065424203 184342276 /nfs/dbraw/zinc/34/22/76/184342276.db2.gz WLQDRAWZMVJJFG-LBPRGKRZSA-N 1 1 321.377 2.423 20 5 DEBDMO O=[N+]([O-])c1ccccc1CN(CC[N@H+]1CCCOCC1)C1CC1 ZINC000361328352 285160279 /nfs/dbraw/zinc/16/02/79/285160279.db2.gz KRXDMBFWFCTWPK-UHFFFAOYSA-N 1 1 319.405 2.282 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000155982806 197078173 /nfs/dbraw/zinc/07/81/73/197078173.db2.gz XTOUGMYWSQAWOE-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO COC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000542522123 285231110 /nfs/dbraw/zinc/23/11/10/285231110.db2.gz JZPARWSSKIFNTG-ZDUSSCGKSA-N 1 1 320.349 2.405 20 5 DEBDMO Cc1ccc([C@@H](C)[NH2+]CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000120416507 195162330 /nfs/dbraw/zinc/16/23/30/195162330.db2.gz IZSGYVCHOMSEAO-OAHLLOKOSA-N 1 1 320.437 2.191 20 5 DEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCOC(C)(C)C1 ZINC000289696362 221161136 /nfs/dbraw/zinc/16/11/36/221161136.db2.gz HDBPWOPSSPENML-ZDUSSCGKSA-N 1 1 323.393 2.036 20 5 DEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000355628571 133038467 /nfs/dbraw/zinc/03/84/67/133038467.db2.gz ZWDQRIMVGFEVBD-CYBMUJFWSA-N 1 1 322.361 2.377 20 5 DEBDMO COC(=O)COc1ccc(C[N@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000355749476 133045900 /nfs/dbraw/zinc/04/59/00/133045900.db2.gz SOXGUOLRMZVBGM-UHFFFAOYSA-N 1 1 322.361 2.379 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000377541799 133333810 /nfs/dbraw/zinc/33/38/10/133333810.db2.gz DGOBUYVXOKKYKK-ZBFHGGJFSA-N 1 1 306.362 2.209 20 5 DEBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cnccn3)CC2)cc1 ZINC000563089849 292030761 /nfs/dbraw/zinc/03/07/61/292030761.db2.gz AHDSFWWNIPYRIH-UHFFFAOYSA-N 1 1 314.345 2.428 20 5 DEBDMO C[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000564717997 292106863 /nfs/dbraw/zinc/10/68/63/292106863.db2.gz DRFIKZVCUFTSKU-IUODEOHRSA-N 1 1 305.378 2.251 20 5 DEBDMO CSc1ccc(C(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000193333577 145084956 /nfs/dbraw/zinc/08/49/56/145084956.db2.gz TZCRPNRKKPUKJO-UHFFFAOYSA-N 1 1 309.391 2.094 20 5 DEBDMO Cc1c(NC(=O)CCN2CC[C@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000565158442 292138479 /nfs/dbraw/zinc/13/84/79/292138479.db2.gz UNWBXQGPXTXDQA-YPMHNXCESA-N 1 1 320.393 2.043 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000346639191 146115113 /nfs/dbraw/zinc/11/51/13/146115113.db2.gz JPGVTDFTQCDVFR-HUUCEWRRSA-N 1 1 321.421 2.353 20 5 DEBDMO COc1cc(CN2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000347091404 146193289 /nfs/dbraw/zinc/19/32/89/146193289.db2.gz FHUKPLIWXCMJSC-NSHDSACASA-N 1 1 323.393 2.171 20 5 DEBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000349345213 146370413 /nfs/dbraw/zinc/37/04/13/146370413.db2.gz IXUCPIIWNWAYRQ-RNZFLTOJSA-N 1 1 304.268 2.463 20 5 DEBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000349345213 146370417 /nfs/dbraw/zinc/37/04/17/146370417.db2.gz IXUCPIIWNWAYRQ-RNZFLTOJSA-N 1 1 304.268 2.463 20 5 DEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000371697152 148131518 /nfs/dbraw/zinc/13/15/18/148131518.db2.gz SUTOEBNMGKJZLT-ZDUSSCGKSA-N 1 1 324.402 2.100 20 5 DEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000371697152 148131521 /nfs/dbraw/zinc/13/15/21/148131521.db2.gz SUTOEBNMGKJZLT-ZDUSSCGKSA-N 1 1 324.402 2.100 20 5 DEBDMO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000126681557 401704465 /nfs/dbraw/zinc/70/44/65/401704465.db2.gz YXCBMPUYGOUJLB-AYLIAGHASA-N 1 1 304.799 2.447 20 5 DEBDMO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000126681557 401704468 /nfs/dbraw/zinc/70/44/68/401704468.db2.gz YXCBMPUYGOUJLB-AYLIAGHASA-N 1 1 304.799 2.447 20 5 DEBDMO COC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000112986712 401764544 /nfs/dbraw/zinc/76/45/44/401764544.db2.gz SFUPAFXUJAWRRD-CYBMUJFWSA-N 1 1 321.377 2.200 20 5 DEBDMO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000112986712 401764546 /nfs/dbraw/zinc/76/45/46/401764546.db2.gz SFUPAFXUJAWRRD-CYBMUJFWSA-N 1 1 321.377 2.200 20 5 DEBDMO COC(=O)CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000113508412 401780608 /nfs/dbraw/zinc/78/06/08/401780608.db2.gz QAULQWYLIRRZHS-UHFFFAOYSA-N 1 1 310.350 2.247 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087006547 401925965 /nfs/dbraw/zinc/92/59/65/401925965.db2.gz ZWNPUCVUFAVOON-HNNXBMFYSA-N 1 1 305.378 2.128 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088231206 401932293 /nfs/dbraw/zinc/93/22/93/401932293.db2.gz CHUIQHBLNZHILF-MRXNPFEDSA-N 1 1 317.389 2.354 20 5 DEBDMO C[N@@H+](CCc1ccccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136805720 401974420 /nfs/dbraw/zinc/97/44/20/401974420.db2.gz ZTJPIOQNEAYXCL-INIZCTEOSA-N 1 1 301.346 2.198 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000123036049 402107327 /nfs/dbraw/zinc/10/73/27/402107327.db2.gz DMTYLCHYSNXKFW-PHIMTYICSA-N 1 1 307.350 2.415 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000123036049 402107330 /nfs/dbraw/zinc/10/73/30/402107330.db2.gz DMTYLCHYSNXKFW-PHIMTYICSA-N 1 1 307.350 2.415 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+](C)C(C)C ZINC000123137062 402112563 /nfs/dbraw/zinc/11/25/63/402112563.db2.gz YGFIRWJCIQASLM-UHFFFAOYSA-N 1 1 310.354 2.065 20 5 DEBDMO COC(=O)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000123200243 402115207 /nfs/dbraw/zinc/11/52/07/402115207.db2.gz AEYWFZCNNKONKI-BTKRWWFXSA-N 1 1 304.346 2.493 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000152928947 402117498 /nfs/dbraw/zinc/11/74/98/402117498.db2.gz ZBTMJZCZTYGDKI-CJNGLKHVSA-N 1 1 306.362 2.475 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000153930391 402181042 /nfs/dbraw/zinc/18/10/42/402181042.db2.gz PHNQPIDTKIELHH-CQSZACIVSA-N 1 1 313.361 2.380 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000154029203 402187935 /nfs/dbraw/zinc/18/79/35/402187935.db2.gz DTKCUOWDXZVTDM-HNNXBMFYSA-N 1 1 305.378 2.315 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000154029203 402187938 /nfs/dbraw/zinc/18/79/38/402187938.db2.gz DTKCUOWDXZVTDM-HNNXBMFYSA-N 1 1 305.378 2.315 20 5 DEBDMO Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000154024126 402188182 /nfs/dbraw/zinc/18/81/82/402188182.db2.gz WGWYJVBDAJDGHE-HIFRSBDPSA-N 1 1 317.389 2.460 20 5 DEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)Cn1cccn1 ZINC000067458548 402159616 /nfs/dbraw/zinc/15/96/16/402159616.db2.gz DGSMKHMKUSRSNP-INIZCTEOSA-N 1 1 318.377 2.063 20 5 DEBDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000184769813 402298789 /nfs/dbraw/zinc/29/87/89/402298789.db2.gz MAFXDAJOZGYPBV-CMPLNLGQSA-N 1 1 309.322 2.238 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000177038292 402362554 /nfs/dbraw/zinc/36/25/54/402362554.db2.gz USOMGHUSIPPUFM-GHABZHJMSA-N 1 1 315.373 2.349 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3[C@@H]4CC[C@H]3CC(O)C4)nc2c1 ZINC000177069402 402366795 /nfs/dbraw/zinc/36/67/95/402366795.db2.gz DQBWNLFRUTVRKY-DHHPTOIESA-N 1 1 303.318 2.224 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3[C@@H]4CC[C@H]3CC(O)C4)nc2c1 ZINC000177069402 402366797 /nfs/dbraw/zinc/36/67/97/402366797.db2.gz DQBWNLFRUTVRKY-DHHPTOIESA-N 1 1 303.318 2.224 20 5 DEBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(N(C)C)no1 ZINC000186413817 402429080 /nfs/dbraw/zinc/42/90/80/402429080.db2.gz ULBJKRYXJAVVBZ-NSHDSACASA-N 1 1 319.365 2.155 20 5 DEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@H]1O ZINC000245564468 402471787 /nfs/dbraw/zinc/47/17/87/402471787.db2.gz YXKCIEYGKXSXAC-CZUORRHYSA-N 1 1 308.378 2.457 20 5 DEBDMO CCOC(=O)CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000171032558 402551522 /nfs/dbraw/zinc/55/15/22/402551522.db2.gz ZIXTUDWBRVQECH-UHFFFAOYSA-N 1 1 321.377 2.060 20 5 DEBDMO CO[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000170820895 402529016 /nfs/dbraw/zinc/52/90/16/402529016.db2.gz SRJIOWJJXILBMQ-CYBMUJFWSA-N 1 1 318.333 2.256 20 5 DEBDMO CO[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000170820895 402529019 /nfs/dbraw/zinc/52/90/19/402529019.db2.gz SRJIOWJJXILBMQ-CYBMUJFWSA-N 1 1 318.333 2.256 20 5 DEBDMO [NH3+]CC(F)(F)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000190206515 402584249 /nfs/dbraw/zinc/58/42/49/402584249.db2.gz YQRSXWLDIIHHMU-UHFFFAOYSA-N 1 1 315.301 2.133 20 5 DEBDMO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261884027 402718550 /nfs/dbraw/zinc/71/85/50/402718550.db2.gz MXVIVZKSEUUPOD-CHWSQXEVSA-N 1 1 312.373 2.497 20 5 DEBDMO CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)N(C)C ZINC000255167113 402680853 /nfs/dbraw/zinc/68/08/53/402680853.db2.gz MDTIAVPISVBTFH-CLFYSBASSA-N 1 1 305.378 2.408 20 5 DEBDMO CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)N(C)C ZINC000255167113 402680856 /nfs/dbraw/zinc/68/08/56/402680856.db2.gz MDTIAVPISVBTFH-CLFYSBASSA-N 1 1 305.378 2.408 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000192473250 402731442 /nfs/dbraw/zinc/73/14/42/402731442.db2.gz KGMCVBCOYURJSK-GFCCVEGCSA-N 1 1 305.378 2.365 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000174473256 402742687 /nfs/dbraw/zinc/74/26/87/402742687.db2.gz ACHXOULKHCGOEC-CYBMUJFWSA-N 1 1 305.378 2.317 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CC1 ZINC000263716676 402794962 /nfs/dbraw/zinc/79/49/62/402794962.db2.gz LBQQRKUUTZFWLS-UHFFFAOYSA-N 1 1 316.361 2.290 20 5 DEBDMO COc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000272176134 402906300 /nfs/dbraw/zinc/90/63/00/402906300.db2.gz JIABTCBEBZDMFQ-HZMBPMFUSA-N 1 1 309.341 2.273 20 5 DEBDMO C[C@@H](CCO)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272502537 402945096 /nfs/dbraw/zinc/94/50/96/402945096.db2.gz HEDMGMVKWRRRHL-WFASDCNBSA-N 1 1 318.377 2.026 20 5 DEBDMO Cn1ccnc1[C@H]([NH2+]CC1(C)COC1)c1ccc([N+](=O)[O-])cc1 ZINC000272521679 402947966 /nfs/dbraw/zinc/94/79/66/402947966.db2.gz LFUOATRESWMNSL-CQSZACIVSA-N 1 1 316.361 2.044 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265789021 402949919 /nfs/dbraw/zinc/94/99/19/402949919.db2.gz LLDQBQBKWZQABE-CYBMUJFWSA-N 1 1 319.405 2.330 20 5 DEBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000266921259 403000087 /nfs/dbraw/zinc/00/00/87/403000087.db2.gz ILMDVPSECDXYMU-JSGCOSHPSA-N 1 1 308.378 2.455 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273466906 403007220 /nfs/dbraw/zinc/00/72/20/403007220.db2.gz NXFGMLCRRJVAOT-LLVKDONJSA-N 1 1 310.329 2.340 20 5 DEBDMO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266547893 402973178 /nfs/dbraw/zinc/97/31/78/402973178.db2.gz SNFBBCZQILRTAK-STQMWFEESA-N 1 1 324.377 2.482 20 5 DEBDMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266547893 402973179 /nfs/dbraw/zinc/97/31/79/402973179.db2.gz SNFBBCZQILRTAK-STQMWFEESA-N 1 1 324.377 2.482 20 5 DEBDMO CC1=CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000280870659 403045378 /nfs/dbraw/zinc/04/53/78/403045378.db2.gz OBKXUZSBGNXRHL-UHFFFAOYSA-N 1 1 301.346 2.136 20 5 DEBDMO CC1=CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000280870659 403045380 /nfs/dbraw/zinc/04/53/80/403045380.db2.gz OBKXUZSBGNXRHL-UHFFFAOYSA-N 1 1 301.346 2.136 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000268189592 403059971 /nfs/dbraw/zinc/05/99/71/403059971.db2.gz MRAHVAMNULYQLU-OTYXRUKQSA-N 1 1 323.780 2.461 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000274617744 403072257 /nfs/dbraw/zinc/07/22/57/403072257.db2.gz YQKJGDIKRMVATN-UHFFFAOYSA-N 1 1 323.418 2.240 20 5 DEBDMO CC(C)C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000274681091 403077939 /nfs/dbraw/zinc/07/79/39/403077939.db2.gz MUNGOHAGFAFKPG-CYBMUJFWSA-N 1 1 309.366 2.007 20 5 DEBDMO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274729492 403082180 /nfs/dbraw/zinc/08/21/80/403082180.db2.gz AYVIRBBIOWDMKP-NSHDSACASA-N 1 1 321.377 2.103 20 5 DEBDMO C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275429991 403102756 /nfs/dbraw/zinc/10/27/56/403102756.db2.gz DRSIFIKFZPFQBS-NSHDSACASA-N 1 1 311.357 2.015 20 5 DEBDMO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000268820692 403117569 /nfs/dbraw/zinc/11/75/69/403117569.db2.gz HMTRDFCAPWVVHX-ZDUSSCGKSA-N 1 1 307.394 2.092 20 5 DEBDMO COc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)nn1 ZINC000282377288 403148284 /nfs/dbraw/zinc/14/82/84/403148284.db2.gz FQSLRRQRIBFMAL-UHFFFAOYSA-N 1 1 302.334 2.068 20 5 DEBDMO CC(C)[N@@H+](CCOCCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000283628427 403211050 /nfs/dbraw/zinc/21/10/50/403211050.db2.gz BHARLLPTNKPLNY-UHFFFAOYSA-N 1 1 316.785 2.468 20 5 DEBDMO O=C(NCCCCCCC[NH+]1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000270695024 403214302 /nfs/dbraw/zinc/21/43/02/403214302.db2.gz XNVSGMTZUMYUQP-UHFFFAOYSA-N 1 1 323.397 2.094 20 5 DEBDMO COCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283319604 403188916 /nfs/dbraw/zinc/18/89/16/403188916.db2.gz ZMWNNGJOEPUCTD-UHFFFAOYSA-N 1 1 312.341 2.361 20 5 DEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000330664465 403301100 /nfs/dbraw/zinc/30/11/00/403301100.db2.gz GFAGPBZLDVBELY-NEPJUHHUSA-N 1 1 323.418 2.238 20 5 DEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000330664465 403301105 /nfs/dbraw/zinc/30/11/05/403301105.db2.gz GFAGPBZLDVBELY-NEPJUHHUSA-N 1 1 323.418 2.238 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C)C2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000292074020 403284953 /nfs/dbraw/zinc/28/49/53/403284953.db2.gz DYQKYQZLDNHBHZ-UHFFFAOYSA-N 1 1 321.377 2.079 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCC[N@H+]1C ZINC000345329996 403289191 /nfs/dbraw/zinc/28/91/91/403289191.db2.gz WITROBAGOCBCDT-ZYHUDNBSSA-N 1 1 316.361 2.289 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000345501596 403358318 /nfs/dbraw/zinc/35/83/18/403358318.db2.gz NTPUONAGTIESLN-LBPRGKRZSA-N 1 1 323.393 2.454 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000292383656 403359021 /nfs/dbraw/zinc/35/90/21/403359021.db2.gz SVLKKLJFPJSUHS-AWEZNQCLSA-N 1 1 306.322 2.035 20 5 DEBDMO COc1c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331054365 403317756 /nfs/dbraw/zinc/31/77/56/403317756.db2.gz JWUNORYTPGPVDD-YPMHNXCESA-N 1 1 321.377 2.016 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292199982 403319591 /nfs/dbraw/zinc/31/95/91/403319591.db2.gz SCSOOJNXYIBMHC-DOTOQJQBSA-N 1 1 320.389 2.377 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292269797 403339392 /nfs/dbraw/zinc/33/93/92/403339392.db2.gz QBGLSKASCIIUCQ-LXXRFIIISA-N 1 1 315.373 2.162 20 5 DEBDMO C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000331504299 403402501 /nfs/dbraw/zinc/40/25/01/403402501.db2.gz OBXZSFPNYUXTBK-RDBSUJKOSA-N 1 1 320.393 2.291 20 5 DEBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000331513338 403404211 /nfs/dbraw/zinc/40/42/11/403404211.db2.gz NBYDMGZPKZMLFV-LLVKDONJSA-N 1 1 321.402 2.283 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000339679887 403414021 /nfs/dbraw/zinc/41/40/21/403414021.db2.gz RYNQSIDNFVPFKT-GDBMZVCRSA-N 1 1 320.389 2.457 20 5 DEBDMO CCCc1[nH+]ccn1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000339688679 403417917 /nfs/dbraw/zinc/41/79/17/403417917.db2.gz OROFLFDLKJBLQS-UHFFFAOYSA-N 1 1 314.345 2.333 20 5 DEBDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000331688977 403452662 /nfs/dbraw/zinc/45/26/62/403452662.db2.gz WJCOCJBIIDAKOW-LLVKDONJSA-N 1 1 316.361 2.100 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000299133976 403531273 /nfs/dbraw/zinc/53/12/73/403531273.db2.gz ZQXUURDBUFERTN-BETUJISGSA-N 1 1 322.409 2.411 20 5 DEBDMO CNC(=O)[C@@H](C)C[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347355649 403678162 /nfs/dbraw/zinc/67/81/62/403678162.db2.gz CJXYKSFCQDZPRI-FSBNRTBOSA-N 1 1 305.378 2.312 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000343657391 403680247 /nfs/dbraw/zinc/68/02/47/403680247.db2.gz IZLTXAMRYMRXKU-LLVKDONJSA-N 1 1 323.397 2.046 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295118581 403765693 /nfs/dbraw/zinc/76/56/93/403765693.db2.gz MCBADTUPKFPQIZ-RNCFNFMXSA-N 1 1 323.780 2.461 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)C(C)(C)O ZINC000295130357 403768581 /nfs/dbraw/zinc/76/85/81/403768581.db2.gz JTLUUTXHGLUJHG-GFCCVEGCSA-N 1 1 323.393 2.323 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000343750635 403718864 /nfs/dbraw/zinc/71/88/64/403718864.db2.gz OAZQEDGKESVKMF-KBPBESRZSA-N 1 1 306.362 2.066 20 5 DEBDMO COCCOCC[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000289083033 403827649 /nfs/dbraw/zinc/82/76/49/403827649.db2.gz SXBCDLMCDJNNSR-UHFFFAOYSA-N 1 1 302.758 2.343 20 5 DEBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000347648528 403791145 /nfs/dbraw/zinc/79/11/45/403791145.db2.gz IMKSGFFMIGEQHD-CQSZACIVSA-N 1 1 305.378 2.333 20 5 DEBDMO CCCCC[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000362948093 404018436 /nfs/dbraw/zinc/01/84/36/404018436.db2.gz GCBPKKSJKGMFGM-DZGCQCFKSA-N 1 1 310.398 2.197 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000351960748 404035517 /nfs/dbraw/zinc/03/55/17/404035517.db2.gz WBVQHIQUJMLMDT-UONOGXRCSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000351960748 404035523 /nfs/dbraw/zinc/03/55/23/404035523.db2.gz WBVQHIQUJMLMDT-UONOGXRCSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000351960748 404035529 /nfs/dbraw/zinc/03/55/29/404035529.db2.gz WBVQHIQUJMLMDT-UONOGXRCSA-N 1 1 307.394 2.388 20 5 DEBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000411952666 404028227 /nfs/dbraw/zinc/02/82/27/404028227.db2.gz YMBUVUBAIPRICX-LLVKDONJSA-N 1 1 311.769 2.158 20 5 DEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000412084504 404118748 /nfs/dbraw/zinc/11/87/48/404118748.db2.gz CNKPZROFYSFQFU-UHFFFAOYSA-N 1 1 307.394 2.137 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000344422591 404126058 /nfs/dbraw/zinc/12/60/58/404126058.db2.gz HSGIGZFVFGKJJP-TXEJJXNPSA-N 1 1 323.368 2.218 20 5 DEBDMO CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000412131711 404151257 /nfs/dbraw/zinc/15/12/57/404151257.db2.gz JGTQRPYVUCIYTE-HRCADAONSA-N 1 1 317.389 2.251 20 5 DEBDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000412239022 404204975 /nfs/dbraw/zinc/20/49/75/404204975.db2.gz BDXKDAURTGSTFV-CAPXZKIUSA-N 1 1 317.389 2.297 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000290631389 404248895 /nfs/dbraw/zinc/24/88/95/404248895.db2.gz HEAMBPGKVQPTEW-GFCCVEGCSA-N 1 1 308.382 2.123 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000344611365 404260634 /nfs/dbraw/zinc/26/06/34/404260634.db2.gz NEWRKDHSZUHWEA-ZDUSSCGKSA-N 1 1 320.393 2.027 20 5 DEBDMO COc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000337822174 404261747 /nfs/dbraw/zinc/26/17/47/404261747.db2.gz UZIJKBXRHWYFKJ-KGLIPLIRSA-N 1 1 305.378 2.320 20 5 DEBDMO COC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000296529608 404293389 /nfs/dbraw/zinc/29/33/89/404293389.db2.gz AXMUOLRXVKNXRV-INIZCTEOSA-N 1 1 321.377 2.282 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@]34CCOC4)nc2c1 ZINC000341966370 404282975 /nfs/dbraw/zinc/28/29/75/404282975.db2.gz KVHOCNVGKOMUNW-OAHLLOKOSA-N 1 1 302.334 2.226 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@]34CCOC4)nc2c1 ZINC000341966370 404282980 /nfs/dbraw/zinc/28/29/80/404282980.db2.gz KVHOCNVGKOMUNW-OAHLLOKOSA-N 1 1 302.334 2.226 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000344705395 404318583 /nfs/dbraw/zinc/31/85/83/404318583.db2.gz MNTIMEPSYYKTDG-CQSZACIVSA-N 1 1 321.377 2.151 20 5 DEBDMO [NH3+][C@@H]1CCC[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000342100370 404367899 /nfs/dbraw/zinc/36/78/99/404367899.db2.gz JZSBAGHDLFVLDV-BFHYXJOUSA-N 1 1 305.378 2.033 20 5 DEBDMO CN(C)c1ncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000291656098 404465824 /nfs/dbraw/zinc/46/58/24/404465824.db2.gz DKHUKCQAUNCQNT-UHFFFAOYSA-N 1 1 315.377 2.476 20 5 DEBDMO CCOc1cc(NCc2c[nH+]c(N(C)C)n2C)ccc1[N+](=O)[O-] ZINC000356773080 404687101 /nfs/dbraw/zinc/68/71/01/404687101.db2.gz GRNQGGVMBKMWGZ-UHFFFAOYSA-N 1 1 319.365 2.405 20 5 DEBDMO CC1(C)[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000357775608 404743057 /nfs/dbraw/zinc/74/30/57/404743057.db2.gz BUIUPGLJVXGECS-ZNMIVQPWSA-N 1 1 315.373 2.288 20 5 DEBDMO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000415134304 404815976 /nfs/dbraw/zinc/81/59/76/404815976.db2.gz VXKOXPNRFOCGEW-SJORKVTESA-N 1 1 319.405 2.313 20 5 DEBDMO CCc1nn(C)c(NC[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000360953014 404860329 /nfs/dbraw/zinc/86/03/29/404860329.db2.gz HPWSMEPWVDPVPS-GFCCVEGCSA-N 1 1 309.414 2.423 20 5 DEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000361171211 404956546 /nfs/dbraw/zinc/95/65/46/404956546.db2.gz MGLYGFZVUHBPHG-CQSZACIVSA-N 1 1 319.405 2.374 20 5 DEBDMO C[C@H](O)C[C@H](C)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353682558 404918622 /nfs/dbraw/zinc/91/86/22/404918622.db2.gz OGIGEKADKZFTBG-SLEUVZQESA-N 1 1 318.377 2.167 20 5 DEBDMO O=[N+]([O-])c1cccc(CN(CC[N@H+]2CCCOCC2)C2CC2)c1 ZINC000361317539 405020519 /nfs/dbraw/zinc/02/05/19/405020519.db2.gz YTMKUJZQGGRUAZ-UHFFFAOYSA-N 1 1 319.405 2.282 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@H+](CCN2CCCOCC2)C2CC2)c1 ZINC000361317539 405020520 /nfs/dbraw/zinc/02/05/20/405020520.db2.gz YTMKUJZQGGRUAZ-UHFFFAOYSA-N 1 1 319.405 2.282 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCN2CCCOCC2)C2CC2)c1 ZINC000361317539 405020523 /nfs/dbraw/zinc/02/05/23/405020523.db2.gz YTMKUJZQGGRUAZ-UHFFFAOYSA-N 1 1 319.405 2.282 20 5 DEBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000408071734 405104102 /nfs/dbraw/zinc/10/41/02/405104102.db2.gz LCOATZFANJQZJG-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000408071734 405104105 /nfs/dbraw/zinc/10/41/05/405104105.db2.gz LCOATZFANJQZJG-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO COC[C@@H]1CCCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000452043965 405139011 /nfs/dbraw/zinc/13/90/11/405139011.db2.gz VKPKLNQMJWVNNZ-ZDUSSCGKSA-N 1 1 324.377 2.483 20 5 DEBDMO Cc1cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000408299134 405166881 /nfs/dbraw/zinc/16/68/81/405166881.db2.gz SGOSFRVMUXRUTH-VXGBXAGGSA-N 1 1 306.366 2.460 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354383286 405186419 /nfs/dbraw/zinc/18/64/19/405186419.db2.gz BXDWJTBEPUERDO-HIFRSBDPSA-N 1 1 319.405 2.469 20 5 DEBDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438819148 405255247 /nfs/dbraw/zinc/25/52/47/405255247.db2.gz LPUQDRQACBYICR-CFVMTHIKSA-N 1 1 310.398 2.053 20 5 DEBDMO C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000454363502 405336124 /nfs/dbraw/zinc/33/61/24/405336124.db2.gz OKOBXSJPRGKIRH-CORIIIEPSA-N 1 1 318.377 2.001 20 5 DEBDMO O=C(C[N@H+]1CCC[C@H](CCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000421020716 405431518 /nfs/dbraw/zinc/43/15/18/405431518.db2.gz RRLLKIIKMTXWRS-ZDUSSCGKSA-N 1 1 321.377 2.018 20 5 DEBDMO O=C(C[N@@H+]1CCC[C@H](CCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000421020716 405431521 /nfs/dbraw/zinc/43/15/21/405431521.db2.gz RRLLKIIKMTXWRS-ZDUSSCGKSA-N 1 1 321.377 2.018 20 5 DEBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000429777154 405449152 /nfs/dbraw/zinc/44/91/52/405449152.db2.gz VCMUGTHPFJTLLI-UONOGXRCSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000429787249 405449753 /nfs/dbraw/zinc/44/97/53/405449753.db2.gz OOXHAHFZXXOEIK-KGLIPLIRSA-N 1 1 308.378 2.457 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000577669751 405489705 /nfs/dbraw/zinc/48/97/05/405489705.db2.gz ISZVOMFQOXENMV-GFCCVEGCSA-N 1 1 322.409 2.487 20 5 DEBDMO C[C@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000492542670 405506545 /nfs/dbraw/zinc/50/65/45/405506545.db2.gz ZCDSDJDPWUKTOY-FWWRYZNZSA-N 1 1 315.373 2.375 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000421468968 405512079 /nfs/dbraw/zinc/51/20/79/405512079.db2.gz AQJHTVVRWCXJOH-ZDUSSCGKSA-N 1 1 305.378 2.378 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000421699654 405594004 /nfs/dbraw/zinc/59/40/04/405594004.db2.gz BSBKYXBWBCNHTB-GFCCVEGCSA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000421797856 405650370 /nfs/dbraw/zinc/65/03/70/405650370.db2.gz VXWMJPQCRFXQMO-QWHCGFSZSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000421797856 405650374 /nfs/dbraw/zinc/65/03/74/405650374.db2.gz VXWMJPQCRFXQMO-QWHCGFSZSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457118404 405708465 /nfs/dbraw/zinc/70/84/65/405708465.db2.gz MTXPULGFLMXWKL-AWEZNQCLSA-N 1 1 305.378 2.458 20 5 DEBDMO CC(=O)Nc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000433187651 405892728 /nfs/dbraw/zinc/89/27/28/405892728.db2.gz PDVBZICWEPLMOE-UHFFFAOYSA-N 1 1 318.308 2.377 20 5 DEBDMO O=[N+]([O-])c1cc(F)c(NC[C@@H]2CCC[N@@H+]2CCCO)c(F)c1 ZINC000450590830 405968010 /nfs/dbraw/zinc/96/80/10/405968010.db2.gz DTMVKSVSQGQVID-JTQLQIEISA-N 1 1 315.320 2.132 20 5 DEBDMO CCC(=O)CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450567711 405957590 /nfs/dbraw/zinc/95/75/90/405957590.db2.gz MCNWHGCCOSTEPY-GFCCVEGCSA-N 1 1 306.366 2.235 20 5 DEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496343146 405964545 /nfs/dbraw/zinc/96/45/45/405964545.db2.gz LJLAUYAKINEEFI-STQMWFEESA-N 1 1 319.361 2.430 20 5 DEBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000515773577 406079012 /nfs/dbraw/zinc/07/90/12/406079012.db2.gz XRVJYAXQKMXSIA-UHFFFAOYSA-N 1 1 322.409 2.318 20 5 DEBDMO CC(C)[N@H+](C)C[C@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567707966 406124085 /nfs/dbraw/zinc/12/40/85/406124085.db2.gz GKLCIDAKKKBXON-ZDUSSCGKSA-N 1 1 322.409 2.242 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567707966 406124088 /nfs/dbraw/zinc/12/40/88/406124088.db2.gz GKLCIDAKKKBXON-ZDUSSCGKSA-N 1 1 322.409 2.242 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000519718173 406241948 /nfs/dbraw/zinc/24/19/48/406241948.db2.gz BPAJZZNKSIWSPP-PHIMTYICSA-N 1 1 309.341 2.289 20 5 DEBDMO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000569610077 406279068 /nfs/dbraw/zinc/27/90/68/406279068.db2.gz DXDSLSXABFQOPT-SNVBAGLBSA-N 1 1 316.317 2.006 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000489429991 406404150 /nfs/dbraw/zinc/40/41/50/406404150.db2.gz QYHURARXHBCRHI-CYBMUJFWSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000489429991 406404152 /nfs/dbraw/zinc/40/41/52/406404152.db2.gz QYHURARXHBCRHI-CYBMUJFWSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CC1(C)C ZINC000489433306 406405414 /nfs/dbraw/zinc/40/54/14/406405414.db2.gz BPLXHFNWBHLPKA-CYBMUJFWSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489433306 406405419 /nfs/dbraw/zinc/40/54/19/406405419.db2.gz BPLXHFNWBHLPKA-CYBMUJFWSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1cc(N[C@H]2CCn3cc[nH+]c3C2)c(F)cc1[N+](=O)[O-] ZINC000489932979 406440348 /nfs/dbraw/zinc/44/03/48/406440348.db2.gz FEWIYLNPKCHREV-VIFPVBQESA-N 1 1 306.297 2.366 20 5 DEBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000548453457 406518173 /nfs/dbraw/zinc/51/81/73/406518173.db2.gz AUDBMSKKKDINIK-ZDUSSCGKSA-N 1 1 320.393 2.245 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491414915 406588982 /nfs/dbraw/zinc/58/89/82/406588982.db2.gz JMDJCTKMLAXTCY-KKTNHOPESA-N 1 1 317.389 2.455 20 5 DEBDMO Cc1cccc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000291092839 292561009 /nfs/dbraw/zinc/56/10/09/292561009.db2.gz JOIXWHFAZREDAM-ZIAGYGMSSA-N 1 1 305.378 2.203 20 5 DEBDMO C[C@@H](C[NH+]1CCOCC1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413070313 228271765 /nfs/dbraw/zinc/27/17/65/228271765.db2.gz YPLNWYHAGQYOII-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO CCc1nc(NCCOc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000557573376 424884512 /nfs/dbraw/zinc/88/45/12/424884512.db2.gz UHCBULRRJWFVRP-UHFFFAOYSA-N 1 1 302.334 2.747 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000336849257 424925738 /nfs/dbraw/zinc/92/57/38/424925738.db2.gz AFDFNIFGUSCZCG-AWEZNQCLSA-N 1 1 300.362 3.039 20 5 DEBDMO CC(C)Oc1nc(N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000594550148 425012547 /nfs/dbraw/zinc/01/25/47/425012547.db2.gz KAESRBUQLHQQIX-CYBMUJFWSA-N 1 1 320.393 2.673 20 5 DEBDMO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000334041791 269009827 /nfs/dbraw/zinc/00/98/27/269009827.db2.gz DAIQUVMRUKGDDC-YPMHNXCESA-N 1 1 321.377 2.206 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1C[NH+](C(C)C)C1 ZINC000430434529 269131929 /nfs/dbraw/zinc/13/19/29/269131929.db2.gz DITHAKHPUVNXSG-UHFFFAOYSA-N 1 1 305.378 2.342 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])cc1F ZINC000184269589 274093534 /nfs/dbraw/zinc/09/35/34/274093534.db2.gz HHFRSNMAUQETTO-JQWIXIFHSA-N 1 1 312.341 2.478 20 5 DEBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000276563866 274271431 /nfs/dbraw/zinc/27/14/31/274271431.db2.gz MCTDMTIHGWBTLE-GHMZBOCLSA-N 1 1 313.785 2.140 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000123378820 274314868 /nfs/dbraw/zinc/31/48/68/274314868.db2.gz VGNKFXIIZYASDA-TXEJJXNPSA-N 1 1 303.362 2.357 20 5 DEBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000283362446 275034449 /nfs/dbraw/zinc/03/44/49/275034449.db2.gz AEZPMKNQBJRIDR-UHFFFAOYSA-N 1 1 324.344 2.193 20 5 DEBDMO CNC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000280713654 277010833 /nfs/dbraw/zinc/01/08/33/277010833.db2.gz HQCMSAVPJPHWIT-LRDDRELGSA-N 1 1 305.378 2.422 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420629793 277041598 /nfs/dbraw/zinc/04/15/98/277041598.db2.gz RCANDTYKLXOVOT-CYBMUJFWSA-N 1 1 320.393 2.226 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192556148 279274351 /nfs/dbraw/zinc/27/43/51/279274351.db2.gz YEUSQGRRUKOAFX-GFCCVEGCSA-N 1 1 321.377 2.208 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269379620 279274711 /nfs/dbraw/zinc/27/47/11/279274711.db2.gz JBEZIERLLQFOSO-LLVKDONJSA-N 1 1 323.397 2.046 20 5 DEBDMO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000299082147 279345652 /nfs/dbraw/zinc/34/56/52/279345652.db2.gz XRMPOIGEPPGRMV-QWHCGFSZSA-N 1 1 305.378 2.445 20 5 DEBDMO C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292455028 288257403 /nfs/dbraw/zinc/25/74/03/288257403.db2.gz ZKPXIZAMHUXEEV-LBPRGKRZSA-N 1 1 304.394 2.488 20 5 DEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134501719 282044147 /nfs/dbraw/zinc/04/41/47/282044147.db2.gz LLPOQGIKCUBMDM-LBPRGKRZSA-N 1 1 323.368 2.442 20 5 DEBDMO CC[C@@H](C)[N@H+](C)CCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573199481 326031437 /nfs/dbraw/zinc/03/14/37/326031437.db2.gz YYSPRTYQDFETIJ-CYBMUJFWSA-N 1 1 322.409 2.243 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573199481 326031439 /nfs/dbraw/zinc/03/14/39/326031439.db2.gz YYSPRTYQDFETIJ-CYBMUJFWSA-N 1 1 322.409 2.243 20 5 DEBDMO Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000576544497 326301638 /nfs/dbraw/zinc/30/16/38/326301638.db2.gz DHWGFGZXAKUKFW-GHMZBOCLSA-N 1 1 322.394 2.225 20 5 DEBDMO Cc1cc(NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000577155258 326345471 /nfs/dbraw/zinc/34/54/71/326345471.db2.gz JTSOCSDBUUNDMJ-RISCZKNCSA-N 1 1 304.350 2.071 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000584311917 332289990 /nfs/dbraw/zinc/28/99/90/332289990.db2.gz ZQYBKMORWYRJPU-GXTWGEPZSA-N 1 1 305.378 2.251 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000584311917 332289992 /nfs/dbraw/zinc/28/99/92/332289992.db2.gz ZQYBKMORWYRJPU-GXTWGEPZSA-N 1 1 305.378 2.251 20 5 DEBDMO CC(C)COCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000337332437 519754595 /nfs/dbraw/zinc/75/45/95/519754595.db2.gz JRXCHKROSBUHIG-UHFFFAOYSA-N 1 1 307.394 2.389 20 5 DEBDMO C[N@@H+]1CCC[C@@]2(CCN(Cc3cc(O)ccc3[N+](=O)[O-])C2)C1 ZINC000339439132 523837183 /nfs/dbraw/zinc/83/71/83/523837183.db2.gz RLSRLQGTYPVETQ-MRXNPFEDSA-N 1 1 305.378 2.218 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3cc(O)ccc3[N+](=O)[O-])C2)C1 ZINC000339439132 523837189 /nfs/dbraw/zinc/83/71/89/523837189.db2.gz RLSRLQGTYPVETQ-MRXNPFEDSA-N 1 1 305.378 2.218 20 5 DEBDMO COc1ccc(CCC[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157765779 523933458 /nfs/dbraw/zinc/93/34/58/523933458.db2.gz QVDMTBQCFVSMBI-UHFFFAOYSA-N 1 1 318.377 2.365 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000365971370 527490734 /nfs/dbraw/zinc/49/07/34/527490734.db2.gz LULYBROEOVJCBW-LBPRGKRZSA-N 1 1 304.325 2.457 20 5 DEBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000448279284 527973741 /nfs/dbraw/zinc/97/37/41/527973741.db2.gz SSLQSKOZJSRTPS-ZDUSSCGKSA-N 1 1 322.409 2.031 20 5 DEBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000448279283 527985406 /nfs/dbraw/zinc/98/54/06/527985406.db2.gz SSLQSKOZJSRTPS-CYBMUJFWSA-N 1 1 322.409 2.031 20 5 DEBDMO CC1(C)CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302504990 529128716 /nfs/dbraw/zinc/12/87/16/529128716.db2.gz DMRIUVAVGHYTNK-UHFFFAOYSA-N 1 1 313.785 2.141 20 5 DEBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000294793965 529134350 /nfs/dbraw/zinc/13/43/50/529134350.db2.gz OTVJSKYKTXNJGH-UHFFFAOYSA-N 1 1 311.769 2.334 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000362742824 535221831 /nfs/dbraw/zinc/22/18/31/535221831.db2.gz UGDKMXAUFLKHMT-CQSZACIVSA-N 1 1 306.366 2.399 20 5 DEBDMO CC[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2COC)CCO1 ZINC000362661456 535857680 /nfs/dbraw/zinc/85/76/80/535857680.db2.gz DZQXKDKZSCAVHJ-OAHLLOKOSA-N 1 1 323.393 2.264 20 5 DEBDMO CC[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2COC)CCO1 ZINC000362661456 535857684 /nfs/dbraw/zinc/85/76/84/535857684.db2.gz DZQXKDKZSCAVHJ-OAHLLOKOSA-N 1 1 323.393 2.264 20 5 DEBDMO O=C1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000893361683 625689248 /nfs/dbraw/zinc/68/92/48/625689248.db2.gz NWZNEVCKFLVLCS-LLVKDONJSA-N 1 1 309.753 2.101 20 5 DEBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000891999421 624734930 /nfs/dbraw/zinc/73/49/30/624734930.db2.gz DSEVRRHOBQVTMJ-LLVKDONJSA-N 1 1 316.336 2.353 20 5 DEBDMO C[C@@H](NC(=O)NCC[N@H+]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000892113476 624785646 /nfs/dbraw/zinc/78/56/46/624785646.db2.gz XKOGNHVYZLQBOI-QWHCGFSZSA-N 1 1 320.393 2.439 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934332817 624847016 /nfs/dbraw/zinc/84/70/16/624847016.db2.gz UEPDCNMWJXTYMQ-GFCCVEGCSA-N 1 1 321.406 2.121 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176705516 624919908 /nfs/dbraw/zinc/91/99/08/624919908.db2.gz ZTVPTRUIVNDGJO-LBPRGKRZSA-N 1 1 309.341 2.256 20 5 DEBDMO C[N@H+]1CCCC12CCN(c1ccc3nonc3c1[N+](=O)[O-])CC2 ZINC000893091672 625106061 /nfs/dbraw/zinc/10/60/61/625106061.db2.gz DKWXABCMANZEOV-UHFFFAOYSA-N 1 1 317.349 2.196 20 5 DEBDMO COc1ccc(CCC[N@H+](C)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000125271196 633518001 /nfs/dbraw/zinc/51/80/01/633518001.db2.gz KJEUJQXDBQHFFC-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO COc1ccc(CCC[N@@H+](C)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000125271196 633518007 /nfs/dbraw/zinc/51/80/07/633518007.db2.gz KJEUJQXDBQHFFC-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO Cc1c(NC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000929220989 633615402 /nfs/dbraw/zinc/61/54/02/633615402.db2.gz HZMUVSIHSRDIES-GFCCVEGCSA-N 1 1 306.366 2.461 20 5 DEBDMO CC(C)S(=O)(=O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000313528515 633669681 /nfs/dbraw/zinc/66/96/81/633669681.db2.gz PEWGNIPLVPRXEK-UHFFFAOYSA-N 1 1 320.798 2.161 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000893873362 636052805 /nfs/dbraw/zinc/05/28/05/636052805.db2.gz PSSRPUANQPJCLK-GFCCVEGCSA-N 1 1 311.769 2.001 20 5 DEBDMO CC[N@@H+](CCNC(=S)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000726133158 636412376 /nfs/dbraw/zinc/41/23/76/636412376.db2.gz SOQXNXAXPMRJHI-UHFFFAOYSA-N 1 1 308.407 2.366 20 5 DEBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005381339 636727111 /nfs/dbraw/zinc/72/71/11/636727111.db2.gz ITQHQZFAZGVXLW-ZIAGYGMSSA-N 1 1 311.426 2.011 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000894717927 637177918 /nfs/dbraw/zinc/17/79/18/637177918.db2.gz GCAUXONPULIGLG-MFKMUULPSA-N 1 1 310.350 2.166 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCO[C@@H]3CCCCO3)nc2c1 ZINC000894795862 637212098 /nfs/dbraw/zinc/21/20/98/637212098.db2.gz XHPCLZUTBJEMFN-OAHLLOKOSA-N 1 1 321.333 2.369 20 5 DEBDMO CC[N@@H+](C[C@H]1CCOC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000738082385 637389463 /nfs/dbraw/zinc/38/94/63/637389463.db2.gz RQNVLQHBIQJPBO-GFCCVEGCSA-N 1 1 304.350 2.260 20 5 DEBDMO C[C@@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000840756970 650355428 /nfs/dbraw/zinc/35/54/28/650355428.db2.gz FGDFPCADLXGVIB-PHIMTYICSA-N 1 1 308.407 2.316 20 5 DEBDMO Cc1cn(C[N@H+](C)CC2CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000103264077 637714517 /nfs/dbraw/zinc/71/45/17/637714517.db2.gz GFBBXIREKYFOHT-UHFFFAOYSA-N 1 1 316.361 2.155 20 5 DEBDMO Cc1cn(C[N@@H+](C)CC2CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000103264077 637714520 /nfs/dbraw/zinc/71/45/20/637714520.db2.gz GFBBXIREKYFOHT-UHFFFAOYSA-N 1 1 316.361 2.155 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000741586306 637996868 /nfs/dbraw/zinc/99/68/68/637996868.db2.gz SPNWRZQBAJWGOP-BXUZGUMPSA-N 1 1 321.377 2.016 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000741586308 637997022 /nfs/dbraw/zinc/99/70/22/637997022.db2.gz SPNWRZQBAJWGOP-FZMZJTMJSA-N 1 1 321.377 2.016 20 5 DEBDMO CCC1(O)CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000742171644 638040732 /nfs/dbraw/zinc/04/07/32/638040732.db2.gz OGJFQNQQAIWDJK-UHFFFAOYSA-N 1 1 304.350 2.139 20 5 DEBDMO COc1cc(CN2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000895564736 638082742 /nfs/dbraw/zinc/08/27/42/638082742.db2.gz LCXSCWPASAKLRP-UHFFFAOYSA-N 1 1 323.393 2.138 20 5 DEBDMO CC(=O)N1C[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000895575770 638089483 /nfs/dbraw/zinc/08/94/83/638089483.db2.gz INHISNRLQJGUNC-YHDUYMPDSA-N 1 1 315.373 2.018 20 5 DEBDMO COC(=O)/C=C\c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895738168 638178171 /nfs/dbraw/zinc/17/81/71/638178171.db2.gz GWKHKKPNXGTULD-HHQZKXIDSA-N 1 1 319.361 2.286 20 5 DEBDMO CC[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1COC ZINC000895803971 638206027 /nfs/dbraw/zinc/20/60/27/638206027.db2.gz GKYBFYPGECCJNP-AWEZNQCLSA-N 1 1 323.393 2.264 20 5 DEBDMO CC[C@@H]1C[C@H](C)C[N@@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000744443211 638220844 /nfs/dbraw/zinc/22/08/44/638220844.db2.gz IFWCKQWUCBSNBI-WDEREUQCSA-N 1 1 317.345 2.269 20 5 DEBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000744443211 638220848 /nfs/dbraw/zinc/22/08/48/638220848.db2.gz IFWCKQWUCBSNBI-WDEREUQCSA-N 1 1 317.345 2.269 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000895902550 638258683 /nfs/dbraw/zinc/25/86/83/638258683.db2.gz MKYRNKWGYGECMV-UHFFFAOYSA-N 1 1 305.378 2.379 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1C ZINC000896266574 638442866 /nfs/dbraw/zinc/44/28/66/638442866.db2.gz SBCLZQHKVPXSMY-AWEZNQCLSA-N 1 1 317.389 2.426 20 5 DEBDMO C[C@@H](NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000896317107 638466974 /nfs/dbraw/zinc/46/69/74/638466974.db2.gz JCIRAERFQINHMT-XUJVJEKNSA-N 1 1 318.377 2.001 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCOC3CCOCC3)c2c1 ZINC000896462048 638535042 /nfs/dbraw/zinc/53/50/42/638535042.db2.gz TZFIAOMITAMMDJ-UHFFFAOYSA-N 1 1 317.345 2.172 20 5 DEBDMO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839673598 639800586 /nfs/dbraw/zinc/80/05/86/639800586.db2.gz LESQMHNXHLSTTN-PWSUYJOCSA-N 1 1 309.322 2.096 20 5 DEBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839673598 639800590 /nfs/dbraw/zinc/80/05/90/639800590.db2.gz LESQMHNXHLSTTN-PWSUYJOCSA-N 1 1 309.322 2.096 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000757796214 639882042 /nfs/dbraw/zinc/88/20/42/639882042.db2.gz RYICNTLPARAMIX-ZYHUDNBSSA-N 1 1 301.350 2.137 20 5 DEBDMO C[C@@H](C(=O)NCC[N@H+]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000762903778 640481329 /nfs/dbraw/zinc/48/13/29/640481329.db2.gz NPERWSSWALXGDF-QWHCGFSZSA-N 1 1 305.378 2.299 20 5 DEBDMO CC[N@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)C1CC1 ZINC000179242154 640612077 /nfs/dbraw/zinc/61/20/77/640612077.db2.gz DEVKYNPNZQWTPI-UHFFFAOYSA-N 1 1 304.350 2.279 20 5 DEBDMO CC[N@@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)C1CC1 ZINC000179242154 640612079 /nfs/dbraw/zinc/61/20/79/640612079.db2.gz DEVKYNPNZQWTPI-UHFFFAOYSA-N 1 1 304.350 2.279 20 5 DEBDMO CC[N@@H+](CCC(=O)OC)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765012043 640726017 /nfs/dbraw/zinc/72/60/17/640726017.db2.gz WFUNGFAORJZAPM-UHFFFAOYSA-N 1 1 320.349 2.095 20 5 DEBDMO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](C)C[N@H+]1C ZINC000768526928 641092315 /nfs/dbraw/zinc/09/23/15/641092315.db2.gz RZCXVDXSBCZGDA-MNOVXSKESA-N 1 1 318.377 2.008 20 5 DEBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000769708347 641279232 /nfs/dbraw/zinc/27/92/32/641279232.db2.gz SXSDBARIOVZKSV-UHFFFAOYSA-N 1 1 320.393 2.029 20 5 DEBDMO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775055129 642000652 /nfs/dbraw/zinc/00/06/52/642000652.db2.gz AANSRIMVKBDBRW-MNOVXSKESA-N 1 1 309.322 2.096 20 5 DEBDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775055129 642000656 /nfs/dbraw/zinc/00/06/56/642000656.db2.gz AANSRIMVKBDBRW-MNOVXSKESA-N 1 1 309.322 2.096 20 5 DEBDMO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775055134 642000666 /nfs/dbraw/zinc/00/06/66/642000666.db2.gz AANSRIMVKBDBRW-QWRGUYRKSA-N 1 1 309.322 2.096 20 5 DEBDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775055134 642000671 /nfs/dbraw/zinc/00/06/71/642000671.db2.gz AANSRIMVKBDBRW-QWRGUYRKSA-N 1 1 309.322 2.096 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842369619 650719920 /nfs/dbraw/zinc/71/99/20/650719920.db2.gz LGYSMTMXVJGFBO-DTZQCDIJSA-N 1 1 318.373 2.105 20 5 DEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842369619 650719924 /nfs/dbraw/zinc/71/99/24/650719924.db2.gz LGYSMTMXVJGFBO-DTZQCDIJSA-N 1 1 318.373 2.105 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842369619 650719929 /nfs/dbraw/zinc/71/99/29/650719929.db2.gz LGYSMTMXVJGFBO-DTZQCDIJSA-N 1 1 318.373 2.105 20 5 DEBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585326 642188748 /nfs/dbraw/zinc/18/87/48/642188748.db2.gz VKFOBJGCPAQORW-HRCADAONSA-N 1 1 308.378 2.254 20 5 DEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900331689 642334285 /nfs/dbraw/zinc/33/42/85/642334285.db2.gz MCPHLJCXZFXSKD-GOEBONIOSA-N 1 1 317.389 2.270 20 5 DEBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778426994 642391321 /nfs/dbraw/zinc/39/13/21/642391321.db2.gz MLJKBCDNORPMBO-DAXOMENPSA-N 1 1 308.378 2.111 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cc(F)c1=O)Cc1ccc(F)cc1 ZINC000842637973 650792038 /nfs/dbraw/zinc/79/20/38/650792038.db2.gz UXCBQAVVKHXUMO-UHFFFAOYSA-N 1 1 323.299 2.167 20 5 DEBDMO COc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000903337199 643319088 /nfs/dbraw/zinc/31/90/88/643319088.db2.gz URDNOMFAACCNJT-NSHDSACASA-N 1 1 304.350 2.496 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000792925285 644169213 /nfs/dbraw/zinc/16/92/13/644169213.db2.gz JNPRCJDDPWGHED-ZBFHGGJFSA-N 1 1 308.378 2.255 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[NH2+]C[C@H]2CCCO2)n1 ZINC000843186644 650921046 /nfs/dbraw/zinc/92/10/46/650921046.db2.gz AOQYJSLXSCKONP-GFCCVEGCSA-N 1 1 318.333 2.222 20 5 DEBDMO Cc1nn(C[N@H+]2CCC[C@](C)(O)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000794674248 644457898 /nfs/dbraw/zinc/45/78/98/644457898.db2.gz XVYKAUVYHVBKJW-INIZCTEOSA-N 1 1 318.377 2.447 20 5 DEBDMO COC(=O)CC(C)(C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000795959433 644664452 /nfs/dbraw/zinc/66/44/52/644664452.db2.gz DYSVKAMDVHFKKH-UHFFFAOYSA-N 1 1 302.277 2.304 20 5 DEBDMO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCOc1cccc([N+](=O)[O-])c1 ZINC000843360572 650957094 /nfs/dbraw/zinc/95/70/94/650957094.db2.gz DGSYJJDVQVXCMJ-AGUYFDCRSA-N 1 1 305.378 2.318 20 5 DEBDMO CSCCC[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000799159071 645135260 /nfs/dbraw/zinc/13/52/60/645135260.db2.gz BOTBICGRCHUBNN-UHFFFAOYSA-N 1 1 321.406 2.496 20 5 DEBDMO CSCCC[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000799159071 645135261 /nfs/dbraw/zinc/13/52/61/645135261.db2.gz BOTBICGRCHUBNN-UHFFFAOYSA-N 1 1 321.406 2.496 20 5 DEBDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])cn2)C1 ZINC000799158066 645135445 /nfs/dbraw/zinc/13/54/45/645135445.db2.gz YLVIWUYHTSNJGW-BEAPCOKYSA-N 1 1 308.382 2.010 20 5 DEBDMO CC[C@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000799164885 645137977 /nfs/dbraw/zinc/13/79/77/645137977.db2.gz WDULJJNOLJRZDA-AWEZNQCLSA-N 1 1 304.350 2.403 20 5 DEBDMO CC[C@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000799164885 645137982 /nfs/dbraw/zinc/13/79/82/645137982.db2.gz WDULJJNOLJRZDA-AWEZNQCLSA-N 1 1 304.350 2.403 20 5 DEBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1csc(C[NH3+])n1)CC2 ZINC000843495881 650985315 /nfs/dbraw/zinc/98/53/15/650985315.db2.gz XAVPAYFYFUQMFV-UHFFFAOYSA-N 1 1 318.358 2.021 20 5 DEBDMO CCC[N@H+](CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000839989912 645600520 /nfs/dbraw/zinc/60/05/20/645600520.db2.gz CJEPFOIQXZQAED-INIZCTEOSA-N 1 1 319.361 2.364 20 5 DEBDMO CCC[N@@H+](CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000839989912 645600524 /nfs/dbraw/zinc/60/05/24/645600524.db2.gz CJEPFOIQXZQAED-INIZCTEOSA-N 1 1 319.361 2.364 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-])C1CC1 ZINC000843786663 651029492 /nfs/dbraw/zinc/02/94/92/651029492.db2.gz GEUFNDRAFAHKKF-UHFFFAOYSA-N 1 1 309.341 2.256 20 5 DEBDMO CS[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000840113838 645983481 /nfs/dbraw/zinc/98/34/81/645983481.db2.gz PCMPBDJQMJDTIS-LBPRGKRZSA-N 1 1 319.390 2.248 20 5 DEBDMO CS[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000840113838 645983491 /nfs/dbraw/zinc/98/34/91/645983491.db2.gz PCMPBDJQMJDTIS-LBPRGKRZSA-N 1 1 319.390 2.248 20 5 DEBDMO CO[C@@H]1C[C@H]([N@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)C12CCC2 ZINC000840138544 646083011 /nfs/dbraw/zinc/08/30/11/646083011.db2.gz FCENVHBWBPQXGD-QWHCGFSZSA-N 1 1 308.382 2.255 20 5 DEBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)C12CCC2 ZINC000840138544 646083014 /nfs/dbraw/zinc/08/30/14/646083014.db2.gz FCENVHBWBPQXGD-QWHCGFSZSA-N 1 1 308.382 2.255 20 5 DEBDMO CCC[C@@]1(CO)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000808796985 646143687 /nfs/dbraw/zinc/14/36/87/646143687.db2.gz XETKIWMCRMSAMZ-JKSUJKDBSA-N 1 1 308.378 2.113 20 5 DEBDMO C[N@H+]1CCC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809913009 646299352 /nfs/dbraw/zinc/29/93/52/646299352.db2.gz RQZVANISJQTZME-VIFPVBQESA-N 1 1 312.757 2.464 20 5 DEBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913284462 646315063 /nfs/dbraw/zinc/31/50/63/646315063.db2.gz UENAWGZWCWGSPX-IYBDPMFKSA-N 1 1 321.352 2.148 20 5 DEBDMO CC[N@@H+](C[C@H]1CCCO1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000057100864 646506289 /nfs/dbraw/zinc/50/62/89/646506289.db2.gz POMHVOXINRFNNJ-CQSZACIVSA-N 1 1 304.350 2.403 20 5 DEBDMO CC[N@@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000812296317 646628061 /nfs/dbraw/zinc/62/80/61/646628061.db2.gz MRAMXOMFYYUPGW-ZDUSSCGKSA-N 1 1 304.350 2.321 20 5 DEBDMO Cn1cc[nH+]c1N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000814362370 646875455 /nfs/dbraw/zinc/87/54/55/646875455.db2.gz AHHNZLKUYLQCAK-UHFFFAOYSA-N 1 1 321.768 2.308 20 5 DEBDMO CC(C)[C@H](C)[N@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000915209882 647496299 /nfs/dbraw/zinc/49/62/99/647496299.db2.gz VMFYDLHHJIMOTH-JTQLQIEISA-N 1 1 305.334 2.125 20 5 DEBDMO CC(C)[C@H](C)[N@@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000915209882 647496302 /nfs/dbraw/zinc/49/63/02/647496302.db2.gz VMFYDLHHJIMOTH-JTQLQIEISA-N 1 1 305.334 2.125 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2nccn2C(F)F)c1 ZINC000818984075 647557581 /nfs/dbraw/zinc/55/75/81/647557581.db2.gz WALFOOYCFMIJBG-NSHDSACASA-N 1 1 312.276 2.010 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000819953777 647748829 /nfs/dbraw/zinc/74/88/29/647748829.db2.gz UDGUDPWHTVSUAW-IINYFYTJSA-N 1 1 306.322 2.033 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000820832316 647928421 /nfs/dbraw/zinc/92/84/21/647928421.db2.gz VWXQPIPFWYYAPW-BXUZGUMPSA-N 1 1 317.389 2.424 20 5 DEBDMO C[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000918542486 648086526 /nfs/dbraw/zinc/08/65/26/648086526.db2.gz ZLMHFUWMBXLRRP-SNVBAGLBSA-N 1 1 312.757 2.464 20 5 DEBDMO C[C@](CO)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(O)c1 ZINC000829921168 649374326 /nfs/dbraw/zinc/37/43/26/649374326.db2.gz HXLYPKRBVDKCNR-MRXNPFEDSA-N 1 1 320.320 2.437 20 5 DEBDMO C[C@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000830087258 649391964 /nfs/dbraw/zinc/39/19/64/649391964.db2.gz BTILHAJIIPSEDH-SUMWQHHRSA-N 1 1 319.405 2.044 20 5 DEBDMO C[C@@H]1CN(C2CC2)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830087258 649391968 /nfs/dbraw/zinc/39/19/68/649391968.db2.gz BTILHAJIIPSEDH-SUMWQHHRSA-N 1 1 319.405 2.044 20 5 DEBDMO C[C@@H]1CN(C2CC2)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830087258 649391971 /nfs/dbraw/zinc/39/19/71/649391971.db2.gz BTILHAJIIPSEDH-SUMWQHHRSA-N 1 1 319.405 2.044 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000830110275 649395045 /nfs/dbraw/zinc/39/50/45/649395045.db2.gz COMRLBCWIZYEJD-BXKDBHETSA-N 1 1 309.391 2.139 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000830110277 649395144 /nfs/dbraw/zinc/39/51/44/649395144.db2.gz COMRLBCWIZYEJD-JOYOIKCWSA-N 1 1 309.391 2.139 20 5 DEBDMO C[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000830734877 649489106 /nfs/dbraw/zinc/48/91/06/649489106.db2.gz NVXLOMQFGNGEEH-SWLSCSKDSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000830734877 649489109 /nfs/dbraw/zinc/48/91/09/649489109.db2.gz NVXLOMQFGNGEEH-SWLSCSKDSA-N 1 1 306.362 2.272 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000831164315 649546890 /nfs/dbraw/zinc/54/68/90/649546890.db2.gz BNBRVTCFUAYHAR-YLFCFFPRSA-N 1 1 320.389 2.254 20 5 DEBDMO CO[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000831547789 649609226 /nfs/dbraw/zinc/60/92/26/649609226.db2.gz WRXRCZWFPAATAX-GJZGRUSLSA-N 1 1 308.378 2.375 20 5 DEBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1F)CC2 ZINC000831624446 649618669 /nfs/dbraw/zinc/61/86/69/649618669.db2.gz WWWPATPRSNYWEL-UHFFFAOYSA-N 1 1 321.352 2.434 20 5 DEBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000844652703 651151309 /nfs/dbraw/zinc/15/13/09/651151309.db2.gz ARDTYDCDSBOBPC-UHFFFAOYSA-N 1 1 311.357 2.442 20 5 DEBDMO COc1c(C(=O)OCC[C@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000847821671 651420680 /nfs/dbraw/zinc/42/06/80/651420680.db2.gz KMEUSKOEVDKQQS-LLVKDONJSA-N 1 1 308.334 2.102 20 5 DEBDMO C[C@H]1CC[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848476350 651461388 /nfs/dbraw/zinc/46/13/88/651461388.db2.gz ADQINRMSVUKBDI-WFASDCNBSA-N 1 1 303.362 2.210 20 5 DEBDMO C[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000848478253 651461761 /nfs/dbraw/zinc/46/17/61/651461761.db2.gz JBRVWSXYXFPWCT-CYBMUJFWSA-N 1 1 302.334 2.137 20 5 DEBDMO C[N@@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000848478253 651461763 /nfs/dbraw/zinc/46/17/63/651461763.db2.gz JBRVWSXYXFPWCT-CYBMUJFWSA-N 1 1 302.334 2.137 20 5 DEBDMO COCC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000112331858 651501700 /nfs/dbraw/zinc/50/17/00/651501700.db2.gz MEQPCMMDAAKBPX-UHFFFAOYSA-N 1 1 304.350 2.260 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000855285642 651664591 /nfs/dbraw/zinc/66/45/91/651664591.db2.gz HNUJQILMQRKIQS-SNVBAGLBSA-N 1 1 309.341 2.337 20 5 DEBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000855289798 651666249 /nfs/dbraw/zinc/66/62/49/651666249.db2.gz UZYIDMMTPSFIER-NSHDSACASA-N 1 1 320.393 2.088 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1COC(C)(C)OC1 ZINC000850461536 651933661 /nfs/dbraw/zinc/93/36/61/651933661.db2.gz LKFHLBOBXRIPTP-JTQLQIEISA-N 1 1 310.350 2.406 20 5 DEBDMO O=C(CCCF)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035868 652049713 /nfs/dbraw/zinc/04/97/13/652049713.db2.gz YTOWZZGPOHKNQV-AWEZNQCLSA-N 1 1 310.325 2.462 20 5 DEBDMO O=C(CCCF)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035868 652049715 /nfs/dbraw/zinc/04/97/15/652049715.db2.gz YTOWZZGPOHKNQV-AWEZNQCLSA-N 1 1 310.325 2.462 20 5 DEBDMO Cc1noc(C[NH+]2CCC(c3nccc(C)n3)CC2)c1[N+](=O)[O-] ZINC000851934198 652286236 /nfs/dbraw/zinc/28/62/36/652286236.db2.gz GDPQZBLREFUVEB-UHFFFAOYSA-N 1 1 317.349 2.369 20 5 DEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104436 652340618 /nfs/dbraw/zinc/34/06/18/652340618.db2.gz BUDZVRNBPPMNOF-SJORKVTESA-N 1 1 319.405 2.046 20 5 DEBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1CCO ZINC000852462969 652404653 /nfs/dbraw/zinc/40/46/53/652404653.db2.gz SAQPBDWLIBTAMD-RISCZKNCSA-N 1 1 323.349 2.486 20 5 DEBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852680646 652438286 /nfs/dbraw/zinc/43/82/86/652438286.db2.gz XOQAYYNMNSNUDL-ZDUSSCGKSA-N 1 1 321.352 2.178 20 5 DEBDMO CSCCC[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853510922 652559486 /nfs/dbraw/zinc/55/94/86/652559486.db2.gz MZZTWCAVPIXNLV-UHFFFAOYSA-N 1 1 321.406 2.496 20 5 DEBDMO CSCCC[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853510922 652559487 /nfs/dbraw/zinc/55/94/87/652559487.db2.gz MZZTWCAVPIXNLV-UHFFFAOYSA-N 1 1 321.406 2.496 20 5 DEBDMO COc1cc(Cc2noc(C[NH2+]C(C)C)n2)ccc1[N+](=O)[O-] ZINC000854142211 652646424 /nfs/dbraw/zinc/64/64/24/652646424.db2.gz HDMQKKNTQQXTMO-UHFFFAOYSA-N 1 1 306.322 2.075 20 5 DEBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@H+]1CCC[C@H](C)C1 ZINC000195157472 685088541 /nfs/dbraw/zinc/08/85/41/685088541.db2.gz LFLIRDXPQUKKQQ-RYUDHWBXSA-N 1 1 320.393 2.027 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859775593 685820896 /nfs/dbraw/zinc/82/08/96/685820896.db2.gz WOFUKDVVTUDQHR-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO CCN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC[N@@H+](C)C1 ZINC000862168139 686247994 /nfs/dbraw/zinc/24/79/94/686247994.db2.gz NTWPBAHQOQWKTH-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO COC/C(C)=C/C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987016 694064970 /nfs/dbraw/zinc/06/49/70/694064970.db2.gz ITAPNQJNBPHAOM-YFTXEMMHSA-N 1 1 306.366 2.069 20 5 DEBDMO O=[N+]([O-])c1cc(CO)c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000865447378 687216062 /nfs/dbraw/zinc/21/60/62/687216062.db2.gz HDKAOAONNUPHMG-VXGBXAGGSA-N 1 1 309.341 2.265 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000865563898 687260786 /nfs/dbraw/zinc/26/07/86/687260786.db2.gz CPKJMKHQBALXFZ-MRVPVSSYSA-N 1 1 321.303 2.243 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000930317380 694135266 /nfs/dbraw/zinc/13/52/66/694135266.db2.gz ZYKUJNXQFAQTGP-CQSZACIVSA-N 1 1 321.377 2.092 20 5 DEBDMO CN(Cc1ccsc1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943757 687843381 /nfs/dbraw/zinc/84/33/81/687843381.db2.gz FKHTUEYOSJGPHP-OAHLLOKOSA-N 1 1 319.386 2.489 20 5 DEBDMO CC(C)[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867965447 687853203 /nfs/dbraw/zinc/85/32/03/687853203.db2.gz FFGUUZLTTWTWBW-LRDDRELGSA-N 1 1 305.378 2.273 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868381460 687996673 /nfs/dbraw/zinc/99/66/73/687996673.db2.gz RZJKRCXLOMINII-UHFFFAOYSA-N 1 1 322.409 2.434 20 5 DEBDMO CCN(C)C(=O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872063706 688921248 /nfs/dbraw/zinc/92/12/48/688921248.db2.gz SHRIGOLLBBCWQN-JTQLQIEISA-N 1 1 311.407 2.446 20 5 DEBDMO Cc1ccc(C[N@@H+](C)[C@H]2CCCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000872267208 688969352 /nfs/dbraw/zinc/96/93/52/688969352.db2.gz TUNHVQSHWDFHOR-AWEZNQCLSA-N 1 1 305.378 2.346 20 5 DEBDMO Cc1ccc(C[N@H+](C)[C@H]2CCCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000872267208 688969354 /nfs/dbraw/zinc/96/93/54/688969354.db2.gz TUNHVQSHWDFHOR-AWEZNQCLSA-N 1 1 305.378 2.346 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000874447647 689416874 /nfs/dbraw/zinc/41/68/74/689416874.db2.gz VDPZSHDYTMWOHG-UHFFFAOYSA-N 1 1 305.378 2.379 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000874827143 689501902 /nfs/dbraw/zinc/50/19/02/689501902.db2.gz BZVBDQMVVYOPAC-KGLIPLIRSA-N 1 1 307.325 2.043 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874828778 689504435 /nfs/dbraw/zinc/50/44/35/689504435.db2.gz IEKMAXBZAUVEHJ-CHWSQXEVSA-N 1 1 303.362 2.212 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000876721488 689915525 /nfs/dbraw/zinc/91/55/25/689915525.db2.gz PQXLGDIOLGYRJH-CQSZACIVSA-N 1 1 308.378 2.185 20 5 DEBDMO CCN1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1=O ZINC000877465861 690121333 /nfs/dbraw/zinc/12/13/33/690121333.db2.gz BXXDRSWJQPLBIR-UHFFFAOYSA-N 1 1 305.378 2.266 20 5 DEBDMO CCN1CCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1=O ZINC000877465861 690121334 /nfs/dbraw/zinc/12/13/34/690121334.db2.gz BXXDRSWJQPLBIR-UHFFFAOYSA-N 1 1 305.378 2.266 20 5 DEBDMO C[N@H+]1C[C@@]2(C)CN(CCOc3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000931309927 694363422 /nfs/dbraw/zinc/36/34/22/694363422.db2.gz VDDFAIWUVFEGJD-CALCHBBNSA-N 1 1 319.405 2.247 20 5 DEBDMO CC[N@H+](CCc1ccccn1)CCn1c(C)ncc1[N+](=O)[O-] ZINC000878216650 690348965 /nfs/dbraw/zinc/34/89/65/690348965.db2.gz KJLBWSCMAGPSFN-UHFFFAOYSA-N 1 1 303.366 2.059 20 5 DEBDMO COC[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000879050303 690557470 /nfs/dbraw/zinc/55/74/70/690557470.db2.gz DQIXNYCUZZNNMQ-LLVKDONJSA-N 1 1 318.333 2.256 20 5 DEBDMO COC[C@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000879050303 690557472 /nfs/dbraw/zinc/55/74/72/690557472.db2.gz DQIXNYCUZZNNMQ-LLVKDONJSA-N 1 1 318.333 2.256 20 5 DEBDMO COc1ccc(OCC[N@H+]2C[C@@H](OC)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000879320681 690618193 /nfs/dbraw/zinc/61/81/93/690618193.db2.gz KYCJNOHBTSQXHA-JSGCOSHPSA-N 1 1 324.377 2.482 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000879563619 690671483 /nfs/dbraw/zinc/67/14/83/690671483.db2.gz TVIONNCWMSTFAZ-KCQAQPDRSA-N 1 1 308.403 2.313 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621293 690691036 /nfs/dbraw/zinc/69/10/36/690691036.db2.gz VLBUPYZXPBLFPZ-SMDDNHRTSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621293 690691041 /nfs/dbraw/zinc/69/10/41/690691041.db2.gz VLBUPYZXPBLFPZ-SMDDNHRTSA-N 1 1 321.377 2.015 20 5 DEBDMO CC(C)(O)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879963097 690768403 /nfs/dbraw/zinc/76/84/03/690768403.db2.gz FTEYIRWLTDPJOI-HIFRSBDPSA-N 1 1 308.378 2.111 20 5 DEBDMO Cc1csc([C@H]2CC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)n1 ZINC000880013145 690780918 /nfs/dbraw/zinc/78/09/18/690780918.db2.gz GPURPDVHBSSLCQ-LBPRGKRZSA-N 1 1 321.406 2.354 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880145314 690822301 /nfs/dbraw/zinc/82/23/01/690822301.db2.gz NIAIGVNZJPJUTG-NWDGAFQWSA-N 1 1 321.377 2.015 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c([N+](=O)[O-])cc1F ZINC000880147742 690823154 /nfs/dbraw/zinc/82/31/54/690823154.db2.gz IKDFQYWVDCCPJN-LLVKDONJSA-N 1 1 312.341 2.335 20 5 DEBDMO CN(C(=O)C[N@@H+]1CCC[C@@H](CF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000880235510 690846471 /nfs/dbraw/zinc/84/64/71/690846471.db2.gz OONBDUVUKFXOLE-LBPRGKRZSA-N 1 1 309.341 2.239 20 5 DEBDMO CN(C(=O)C[N@H+]1CCC[C@@H](CF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000880235510 690846473 /nfs/dbraw/zinc/84/64/73/690846473.db2.gz OONBDUVUKFXOLE-LBPRGKRZSA-N 1 1 309.341 2.239 20 5 DEBDMO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880429324 690896605 /nfs/dbraw/zinc/89/66/05/690896605.db2.gz NGELRLVIKJHPKP-KGLIPLIRSA-N 1 1 314.769 2.484 20 5 DEBDMO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000880432990 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/nfs/dbraw/zinc/19/18/89/692191889.db2.gz BHOLLDBQXBXPLO-LBPRGKRZSA-N 1 1 304.268 2.342 20 5 DEBDMO Cc1nc([C@@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)no1 ZINC000931946137 694512168 /nfs/dbraw/zinc/51/21/68/694512168.db2.gz BJXMAUDUYVEZPR-GFCCVEGCSA-N 1 1 318.333 2.155 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](C3OCCO3)C2)cc1 ZINC000931998440 694522561 /nfs/dbraw/zinc/52/25/61/694522561.db2.gz DNTBIMOIQIMXFV-CYBMUJFWSA-N 1 1 322.361 2.059 20 5 DEBDMO C[C@]1([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932017582 694527820 /nfs/dbraw/zinc/52/78/20/694527820.db2.gz OIRPWVZULGTOJG-XJKSGUPXSA-N 1 1 319.361 2.305 20 5 DEBDMO Cc1sc(C(=O)NCC[N@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000890079967 692857063 /nfs/dbraw/zinc/85/70/63/692857063.db2.gz NVPIRMSBIMRYOM-UHFFFAOYSA-N 1 1 311.407 2.426 20 5 DEBDMO CC1(C)CC[N@@H+](CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000890082393 692858772 /nfs/dbraw/zinc/85/87/72/692858772.db2.gz VOIXWOLKNKWKNP-YVMONPNESA-N 1 1 317.389 2.456 20 5 DEBDMO C[C@@H](NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925247164 693246235 /nfs/dbraw/zinc/24/62/35/693246235.db2.gz KWIBBKGAFVPDPK-FRRDWIJNSA-N 1 1 320.393 2.390 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925244979 693246628 /nfs/dbraw/zinc/24/66/28/693246628.db2.gz WTFAORIDVRGPOC-TZMCWYRMSA-N 1 1 320.393 2.391 20 5 DEBDMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925252412 693247176 /nfs/dbraw/zinc/24/71/76/693247176.db2.gz KKHQAZDFZMCDJL-UHIISALHSA-N 1 1 306.366 2.048 20 5 DEBDMO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000932438040 694615034 /nfs/dbraw/zinc/61/50/34/694615034.db2.gz DDGKDJFHHPXXJM-CQSZACIVSA-N 1 1 305.378 2.474 20 5 DEBDMO CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000932438040 694615035 /nfs/dbraw/zinc/61/50/35/694615035.db2.gz DDGKDJFHHPXXJM-CQSZACIVSA-N 1 1 305.378 2.474 20 5 DEBDMO 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2.090 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001173232400 793644151 /nfs/dbraw/zinc/64/41/51/793644151.db2.gz FUKPXNXMOIENJM-CJNGLKHVSA-N 1 1 315.377 2.454 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2c(cnn2C)C1 ZINC001173231219 793644300 /nfs/dbraw/zinc/64/43/00/793644300.db2.gz KQUQDVCLZAEPKO-GFCCVEGCSA-N 1 1 300.362 2.318 20 5 DEBDMO COC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173237156 793655703 /nfs/dbraw/zinc/65/57/03/793655703.db2.gz IMQDGRNNALBHMA-LRDDRELGSA-N 1 1 306.362 2.411 20 5 DEBDMO C[N@H+]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001178709025 794984128 /nfs/dbraw/zinc/98/41/28/794984128.db2.gz JRSAVHSUOGZZNB-CQSZACIVSA-N 1 1 319.405 2.329 20 5 DEBDMO Nc1cc(NCC[N@@H+]2CCc3sccc3C2)ncc1[N+](=O)[O-] ZINC001120889891 795551295 /nfs/dbraw/zinc/55/12/95/795551295.db2.gz NQARUYHVAHNDLO-UHFFFAOYSA-N 1 1 319.390 2.104 20 5 DEBDMO Nc1cc(NCC[N@H+]2CCc3sccc3C2)ncc1[N+](=O)[O-] ZINC001120889891 795551299 /nfs/dbraw/zinc/55/12/99/795551299.db2.gz NQARUYHVAHNDLO-UHFFFAOYSA-N 1 1 319.390 2.104 20 5 DEBDMO C[NH+](C)/C=C/c1cc(NC[C@H](O)c2ccco2)ncc1[N+](=O)[O-] ZINC001154878031 797631410 /nfs/dbraw/zinc/63/14/10/797631410.db2.gz KOAHHDHWGGZGKO-GFUIURDCSA-N 1 1 318.333 2.261 20 5 DEBDMO COc1nscc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001194031029 797665793 /nfs/dbraw/zinc/66/57/93/797665793.db2.gz RLKOEDHFLGVVIR-UHFFFAOYSA-N 1 1 323.378 2.094 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC001157262766 798172175 /nfs/dbraw/zinc/17/21/75/798172175.db2.gz YLUZURHFONCDPM-IAQYHMDHSA-N 1 1 313.361 2.068 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@H]21 ZINC001157262616 798172239 /nfs/dbraw/zinc/17/22/39/798172239.db2.gz WODKISFWBFFRPS-IAQYHMDHSA-N 1 1 313.361 2.068 20 5 DEBDMO C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC001197648123 798217864 /nfs/dbraw/zinc/21/78/64/798217864.db2.gz YYKGRVNGHDUYEL-SECBINFHSA-N 1 1 306.347 2.341 20 5 DEBDMO CC(C)[N@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC001158494822 798416880 /nfs/dbraw/zinc/41/68/80/798416880.db2.gz QXQJIUHLOVZBFE-LBPRGKRZSA-N 1 1 315.377 2.457 20 5 DEBDMO O=[N+]([O-])c1cnc(NCc2[nH+]cn3ccccc23)c([N+](=O)[O-])c1 ZINC001161684393 798910364 /nfs/dbraw/zinc/91/03/64/798910364.db2.gz SHXZEHQIXZTVLV-UHFFFAOYSA-N 1 1 314.261 2.158 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001163365155 799324704 /nfs/dbraw/zinc/32/47/04/799324704.db2.gz XTYHEQRXJYBVQK-JQWIXIFHSA-N 1 1 323.353 2.429 20 5 DEBDMO C[N@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC001163672967 799403531 /nfs/dbraw/zinc/40/35/31/799403531.db2.gz RDCNDUVJCIDDIZ-OAHLLOKOSA-N 1 1 313.361 2.065 20 5 DEBDMO Cc1[nH+]ccn1CCNc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001163920356 799456410 /nfs/dbraw/zinc/45/64/10/799456410.db2.gz ZZMRXPQXMFHSKP-UHFFFAOYSA-N 1 1 316.296 2.294 20 5 DEBDMO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000934107627 800261237 /nfs/dbraw/zinc/26/12/37/800261237.db2.gz XLQXVNCGBGYPSP-OLZOCXBDSA-N 1 1 318.333 2.254 20 5 DEBDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000934107627 800261239 /nfs/dbraw/zinc/26/12/39/800261239.db2.gz XLQXVNCGBGYPSP-OLZOCXBDSA-N 1 1 318.333 2.254 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934337091 800327959 /nfs/dbraw/zinc/32/79/59/800327959.db2.gz FKLGRAFQWABTIR-IHRRRGAJSA-N 1 1 306.362 2.209 20 5 DEBDMO CC(=O)c1cccc(O[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001229138839 801229549 /nfs/dbraw/zinc/22/95/49/801229549.db2.gz QVEBZBAQLBHEHI-LLVKDONJSA-N 1 1 301.302 2.388 20 5 DEBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc3n[nH]cc3cc1[N+](=O)[O-])C2 ZINC001230596406 801431117 /nfs/dbraw/zinc/43/11/17/801431117.db2.gz QSZUXFQGUFRSEP-GDNZZTSVSA-N 1 1 302.334 2.475 20 5 DEBDMO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc3[nH]ncc3cc1[N+](=O)[O-])C2 ZINC001230596406 801431120 /nfs/dbraw/zinc/43/11/20/801431120.db2.gz QSZUXFQGUFRSEP-GDNZZTSVSA-N 1 1 302.334 2.475 20 5 DEBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc3[nH]ncc3cc1[N+](=O)[O-])C2 ZINC001230596406 801431122 /nfs/dbraw/zinc/43/11/22/801431122.db2.gz QSZUXFQGUFRSEP-GDNZZTSVSA-N 1 1 302.334 2.475 20 5 DEBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc3n[nH]cc3cc1[N+](=O)[O-])C2 ZINC001230596408 801431438 /nfs/dbraw/zinc/43/14/38/801431438.db2.gz QSZUXFQGUFRSEP-ZSBIGDGJSA-N 1 1 302.334 2.475 20 5 DEBDMO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc3[nH]ncc3cc1[N+](=O)[O-])C2 ZINC001230596408 801431443 /nfs/dbraw/zinc/43/14/43/801431443.db2.gz QSZUXFQGUFRSEP-ZSBIGDGJSA-N 1 1 302.334 2.475 20 5 DEBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc3[nH]ncc3cc1[N+](=O)[O-])C2 ZINC001230596408 801431449 /nfs/dbraw/zinc/43/14/49/801431449.db2.gz QSZUXFQGUFRSEP-ZSBIGDGJSA-N 1 1 302.334 2.475 20 5 DEBDMO C[N@H+]1CCc2c(cccc2O[C@H](C[N+](=O)[O-])c2cccnc2)C1 ZINC001234421264 802375285 /nfs/dbraw/zinc/37/52/85/802375285.db2.gz CIFGVEMLQGEIJP-QGZVFWFLSA-N 1 1 313.357 2.466 20 5 DEBDMO COC(=O)c1c(CO[C@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001223295171 802779469 /nfs/dbraw/zinc/77/94/69/802779469.db2.gz QSTYXZXZXLKBMW-ZDUSSCGKSA-N 1 1 322.361 2.381 20 5 DEBDMO CC[N@H+]1CCC[C@H](OCc2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001223449246 802791092 /nfs/dbraw/zinc/79/10/92/802791092.db2.gz YHIXIXWLNGWUTM-AWEZNQCLSA-N 1 1 322.361 2.382 20 5 DEBDMO COc1ccc(CO[C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC001223647989 802806142 /nfs/dbraw/zinc/80/61/42/802806142.db2.gz HBBPKKZCZRRRTE-LBPRGKRZSA-N 1 1 303.318 2.332 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCO[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001224778029 802903359 /nfs/dbraw/zinc/90/33/59/802903359.db2.gz IKWBPTBZQADGSG-AWEZNQCLSA-N 1 1 303.318 2.202 20 5 DEBDMO CC[N@H+]1CCC[C@H](Oc2nc(Cl)nc(C)c2[N+](=O)[O-])C1 ZINC001227340731 803232576 /nfs/dbraw/zinc/23/25/76/803232576.db2.gz PXGPHODKTOXTST-VIFPVBQESA-N 1 1 300.746 2.210 20 5 DEBDMO COC(=O)c1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC001227893686 803292786 /nfs/dbraw/zinc/29/27/86/803292786.db2.gz HEDLAMCIOHVTFX-GDNZZTSVSA-N 1 1 320.345 2.385 20 5 DEBDMO Cc1[nH]c(=O)cc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c1[N+](=O)[O-] ZINC001228689373 803395786 /nfs/dbraw/zinc/39/57/86/803395786.db2.gz SVJAZXPJGWRWQG-QHBPRCKVSA-N 1 1 307.350 2.113 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001331230720 1149400639 /nfs/dbraw/zinc/40/06/39/1149400639.db2.gz UTAXDFGODXWBMO-LLVKDONJSA-N 1 1 320.393 2.239 20 5 DEBDMO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001335017448 1150366758 /nfs/dbraw/zinc/36/67/58/1150366758.db2.gz JTMRXXOFHMWMLN-JTQLQIEISA-N 1 1 318.333 2.345 20 5 DEBDMO CC(C)C[N@@H+](C)CCCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335461879 1150424390 /nfs/dbraw/zinc/42/43/90/1150424390.db2.gz ZQTNZGZPUKIFMZ-INIZCTEOSA-N 1 1 309.410 2.196 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001346239300 1150957675 /nfs/dbraw/zinc/95/76/75/1150957675.db2.gz SCWJRKWICMTXGB-LBPRGKRZSA-N 1 1 322.365 2.209 20 5 DEBDMO Cc1c(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC001346312737 1150968357 /nfs/dbraw/zinc/96/83/57/1150968357.db2.gz QIBJDLGCJRNSMO-OUCADQQQSA-N 1 1 318.377 2.365 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC001351044347 1151458595 /nfs/dbraw/zinc/45/85/95/1151458595.db2.gz MAWKEBJIAQUQIS-LBPRGKRZSA-N 1 1 320.393 2.239 20 5 DEBDMO COc1ccc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001526687725 1070333476 /nfs/dbraw/zinc/33/34/76/1070333476.db2.gz IUDIZACAVYDWFV-QWRGUYRKSA-N 1 1 322.365 2.160 20 5 DEBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1Nc1ccc2[nH+]ccn2c1 ZINC001607080947 1071291674 /nfs/dbraw/zinc/29/16/74/1071291674.db2.gz VKNCYIFJPPMMFO-UHFFFAOYSA-N 1 1 322.288 2.166 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001467072360 1059573937 /nfs/dbraw/zinc/57/39/37/1059573937.db2.gz ZWBFGXIORZVLDO-LLVKDONJSA-N 1 1 322.365 2.161 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001472029643 1060378581 /nfs/dbraw/zinc/37/85/81/1060378581.db2.gz SWMRPTFNVNYGNC-ZNMIVQPWSA-N 1 1 317.389 2.155 20 5 DEBDMO Cn1cc([C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)nn1 ZINC001473877419 1060748657 /nfs/dbraw/zinc/74/86/57/1060748657.db2.gz VQYVADURBBVIDB-NSHDSACASA-N 1 1 307.379 2.164 20 5 DEBDMO Cn1cc([C@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)nn1 ZINC001473877419 1060748665 /nfs/dbraw/zinc/74/86/65/1060748665.db2.gz VQYVADURBBVIDB-NSHDSACASA-N 1 1 307.379 2.164 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001475926823 1061057226 /nfs/dbraw/zinc/05/72/26/1061057226.db2.gz AYWQQSDELSRGEX-LBPRGKRZSA-N 1 1 322.365 2.161 20 5 DEBDMO C[N@H+](CCNC(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC001480838156 1063435093 /nfs/dbraw/zinc/43/50/93/1063435093.db2.gz ZEXUNVASZBTOCL-UHFFFAOYSA-N 1 1 313.357 2.457 20 5 DEBDMO C[N@@H+](CCNC(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC001480838156 1063435109 /nfs/dbraw/zinc/43/51/09/1063435109.db2.gz ZEXUNVASZBTOCL-UHFFFAOYSA-N 1 1 313.357 2.457 20 5 DEBDMO Cc1ccc(NCCNc2cc(F)c([N+](=O)[O-])cc2CO)[nH+]c1 ZINC001612959895 1078115107 /nfs/dbraw/zinc/11/51/07/1078115107.db2.gz OTTRDXQNFRKGGZ-UHFFFAOYSA-N 1 1 320.324 2.454 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2[nH]c(C)[nH+]c2C)c1 ZINC001612939539 1078115191 /nfs/dbraw/zinc/11/51/91/1078115191.db2.gz JFULCSRXJSIWKW-UHFFFAOYSA-N 1 1 304.306 2.333 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001625174267 1078239383 /nfs/dbraw/zinc/23/93/83/1078239383.db2.gz ZWDXQBNJYPYCSQ-UHFFFAOYSA-N 1 1 321.312 2.451 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001629715785 1078324569 /nfs/dbraw/zinc/32/45/69/1078324569.db2.gz ZXQSPDAPCQVBJH-SWLSCSKDSA-N 1 1 320.393 2.391 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001635649025 1078455769 /nfs/dbraw/zinc/45/57/69/1078455769.db2.gz MPWJBURSOMOJLF-ZDUSSCGKSA-N 1 1 305.378 2.282 20 5 DEBDMO CC1(C)C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001620504181 1067178493 /nfs/dbraw/zinc/17/84/93/1067178493.db2.gz LIQWJFXPIFEQFH-LBPRGKRZSA-N 1 1 309.322 2.096 20 5 DEBDMO CC1(C)C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001620504181 1067178496 /nfs/dbraw/zinc/17/84/96/1067178496.db2.gz LIQWJFXPIFEQFH-LBPRGKRZSA-N 1 1 309.322 2.096 20 5 DEBDMO Cc1ccc(NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)nc1 ZINC001579715727 1067410301 /nfs/dbraw/zinc/41/03/01/1067410301.db2.gz JAAOWTNLSBSBCN-OAHLLOKOSA-N 1 1 300.318 2.111 20 5 DEBDMO [NH3+][C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001580114767 1067497811 /nfs/dbraw/zinc/49/78/11/1067497811.db2.gz AWKGLCATWWQWGW-CQSZACIVSA-N 1 1 321.283 2.189 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C(C)(C)C1 ZINC001639263179 1078603768 /nfs/dbraw/zinc/60/37/68/1078603768.db2.gz LDHDPXJRZRVJLK-CQSZACIVSA-N 1 1 305.378 2.363 20 5 DEBDMO Nc1ccc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC001642044784 1078740119 /nfs/dbraw/zinc/74/01/19/1078740119.db2.gz FAHOPDHCQDKEJT-CYBMUJFWSA-N 1 1 304.350 2.132 20 5 DEBDMO Nc1ccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC001642044784 1078740128 /nfs/dbraw/zinc/74/01/28/1078740128.db2.gz FAHOPDHCQDKEJT-CYBMUJFWSA-N 1 1 304.350 2.132 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001515493598 1068880229 /nfs/dbraw/zinc/88/02/29/1068880229.db2.gz GRGSCPPIUVOHNA-MNOVXSKESA-N 1 1 307.350 2.134 20 5 DEBDMO CO[C@@H]1C[NH2+][C@@](C)(C(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001573960051 1069136500 /nfs/dbraw/zinc/13/65/00/1069136500.db2.gz CMHBJLCLHKZEKZ-BLLLJJGKSA-N 1 1 322.361 2.022 20 5 DEBDMO CC[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC001645351520 1078896135 /nfs/dbraw/zinc/89/61/35/1078896135.db2.gz JQHJTRINCXNYAB-MJBXVCDLSA-N 1 1 308.378 2.455 20 5 DEBDMO CC[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC001645351519 1078896343 /nfs/dbraw/zinc/89/63/43/1078896343.db2.gz JQHJTRINCXNYAB-MGPQQGTHSA-N 1 1 308.378 2.455 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)C[C@H]1C ZINC001544454137 1072534869 /nfs/dbraw/zinc/53/48/69/1072534869.db2.gz BQJBFNUBUSMBAS-OLZOCXBDSA-N 1 1 320.393 2.243 20 5 DEBDMO C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC001547459878 1072605381 /nfs/dbraw/zinc/60/53/81/1072605381.db2.gz WUDJSJRMYHWSMF-SECBINFHSA-N 1 1 311.769 2.461 20 5 DEBDMO C[C@]1(C2CC2)COCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001648553627 1075001596 /nfs/dbraw/zinc/00/15/96/1075001596.db2.gz KCFVZGIHUKMGAY-MRXNPFEDSA-N 1 1 306.362 2.475 20 5 DEBDMO C[C@]1(C2CC2)COCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001648553627 1075001599 /nfs/dbraw/zinc/00/15/99/1075001599.db2.gz KCFVZGIHUKMGAY-MRXNPFEDSA-N 1 1 306.362 2.475 20 5 DEBDMO C[N@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC001558504503 1075096767 /nfs/dbraw/zinc/09/67/67/1075096767.db2.gz YGWNBSDWCZXOKI-GFCCVEGCSA-N 1 1 311.769 2.318 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001558874289 1075107314 /nfs/dbraw/zinc/10/73/14/1075107314.db2.gz FATWRIKXYHAVMI-GFCCVEGCSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001558875381 1075107855 /nfs/dbraw/zinc/10/78/55/1075107855.db2.gz WEVSJEKQFBDAFB-CYBMUJFWSA-N 1 1 319.405 2.425 20 5 DEBDMO C[C@H]([N@@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1(C)CC1 ZINC001589912490 1076530322 /nfs/dbraw/zinc/53/03/22/1076530322.db2.gz YORWELALGJASMM-JTQLQIEISA-N 1 1 316.365 2.395 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590191057 1076579958 /nfs/dbraw/zinc/57/99/58/1076579958.db2.gz OQJRJDZAJUXCID-VHSXEESVSA-N 1 1 302.338 2.005 20 5 DEBDMO C[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])CC1CCCC1 ZINC001591126460 1076710076 /nfs/dbraw/zinc/71/00/76/1076710076.db2.gz WSVSZKFAIVINQG-UHFFFAOYSA-N 1 1 316.365 2.397 20 5 DEBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC2CCC1CC2 ZINC001593467698 1077005576 /nfs/dbraw/zinc/00/55/76/1077005576.db2.gz SRLVJFPVCVHZRI-UHFFFAOYSA-N 1 1 314.349 2.149 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC001597026766 1077087696 /nfs/dbraw/zinc/08/76/96/1077087696.db2.gz VMVOSAKSCJDPJK-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO COC(=O)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001653734547 1079937742 /nfs/dbraw/zinc/93/77/42/1079937742.db2.gz MDYLSWJKROQIHO-UHFFFAOYSA-N 1 1 324.377 2.495 20 5 DEBDMO O=C1O[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC12CCC2 ZINC001320723684 1140898595 /nfs/dbraw/zinc/89/85/95/1140898595.db2.gz TWNYFMPDWXYXPR-OAHLLOKOSA-N 1 1 316.357 2.439 20 5 DEBDMO O=C1O[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC12CCC2 ZINC001320723684 1140898596 /nfs/dbraw/zinc/89/85/96/1140898596.db2.gz TWNYFMPDWXYXPR-OAHLLOKOSA-N 1 1 316.357 2.439 20 5 DEBDMO CC[C@H](N)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246972650 1141202761 /nfs/dbraw/zinc/20/27/61/1141202761.db2.gz CXHORRHGLBIFOL-ZDUSSCGKSA-N 1 1 306.410 2.233 20 5 DEBDMO CC[C@H](N)C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246972650 1141202789 /nfs/dbraw/zinc/20/27/89/1141202789.db2.gz CXHORRHGLBIFOL-ZDUSSCGKSA-N 1 1 306.410 2.233 20 5 DEBDMO CCCC[N@@H+](C)CCNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001336717780 1142545048 /nfs/dbraw/zinc/54/50/48/1142545048.db2.gz ZKOGONCCNLMPRS-UHFFFAOYSA-N 1 1 311.382 2.131 20 5 DEBDMO C[N@H+]1C[C@@]23CN(c4ccc(N)cc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001336803271 1142578590 /nfs/dbraw/zinc/57/85/90/1142578590.db2.gz JANBNVYPSLXJPR-CALCHBBNSA-N 1 1 316.405 2.489 20 5 DEBDMO C[N@H+]1C[C@@]23CN(C(=O)c4ccc([N+](=O)[O-])o4)C[C@]2(C1)CCCC3 ZINC001336822410 1142584724 /nfs/dbraw/zinc/58/47/24/1142584724.db2.gz GQOFCNQEOQLUEM-IYBDPMFKSA-N 1 1 319.361 2.136 20 5 DEBDMO CN1CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254477013 1143130481 /nfs/dbraw/zinc/13/04/81/1143130481.db2.gz ZPLVRENKFHXEFB-UHFFFAOYSA-N 1 1 318.421 2.201 20 5 DEBDMO C[N@@H+](CC1COC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479978 1143136396 /nfs/dbraw/zinc/13/63/96/1143136396.db2.gz SKUOQUOROCHOGJ-UHFFFAOYSA-N 1 1 305.378 2.142 20 5 DEBDMO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254550721 1143244658 /nfs/dbraw/zinc/24/46/58/1143244658.db2.gz PLQBRBSTLYLSCP-TZMCWYRMSA-N 1 1 306.362 2.411 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001254553039 1143245372 /nfs/dbraw/zinc/24/53/72/1143245372.db2.gz QWMWJPFCSHUCRX-YPMHNXCESA-N 1 1 314.332 2.475 20 5 DEBDMO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254557233 1143245399 /nfs/dbraw/zinc/24/53/99/1143245399.db2.gz OSZGVZMBEACNFQ-NTQSIJHJSA-N 1 1 320.389 2.404 20 5 DEBDMO COC1C[C@@H]2COC[C@H](C1)[N@H+]2[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254557233 1143245409 /nfs/dbraw/zinc/24/54/09/1143245409.db2.gz OSZGVZMBEACNFQ-NTQSIJHJSA-N 1 1 320.389 2.404 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C(C)(C)C1 ZINC001303990444 1144819051 /nfs/dbraw/zinc/81/90/51/1144819051.db2.gz XYEUXMDJWRZLNM-LBPRGKRZSA-N 1 1 311.769 2.318 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001302569398 1147312958 /nfs/dbraw/zinc/31/29/58/1147312958.db2.gz IJIHZVYVMNEEPG-SMDDNHRTSA-N 1 1 321.352 2.209 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001308159018 1147449138 /nfs/dbraw/zinc/44/91/38/1147449138.db2.gz FZUUJDHTGXWJQR-KBPBESRZSA-N 1 1 308.382 2.133 20 5 DEBDMO O=C1Nc2ccccc2C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001308898407 1147489527 /nfs/dbraw/zinc/48/95/27/1147489527.db2.gz YCZWUTWFNZPIOL-HNNXBMFYSA-N 1 1 315.304 2.387 20 5 DEBDMO CCC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001316930988 1147633707 /nfs/dbraw/zinc/63/37/07/1147633707.db2.gz OXYGSRDNJKRDAZ-ILNYKDOHSA-N 1 1 323.437 2.321 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OC ZINC000136835569 282091168 /nfs/dbraw/zinc/09/11/68/282091168.db2.gz DEIARWOEGHOTIH-RYUDHWBXSA-N 1 1 324.377 2.205 20 5 DEBDMO COC(=O)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083170434 185215709 /nfs/dbraw/zinc/21/57/09/185215709.db2.gz ZKPOXKBUHDRDMU-JTQLQIEISA-N 1 1 319.317 2.121 20 5 DEBDMO COC(=O)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083170434 185215710 /nfs/dbraw/zinc/21/57/10/185215710.db2.gz ZKPOXKBUHDRDMU-JTQLQIEISA-N 1 1 319.317 2.121 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)cc1[N+](=O)[O-] ZINC000092660173 185331944 /nfs/dbraw/zinc/33/19/44/185331944.db2.gz FYHPDUZQVABWDG-ZDUSSCGKSA-N 1 1 305.378 2.381 20 5 DEBDMO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092705361 185334783 /nfs/dbraw/zinc/33/47/83/185334783.db2.gz LCCTZCZRNYXBPW-AWEZNQCLSA-N 1 1 305.378 2.394 20 5 DEBDMO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092705361 185334784 /nfs/dbraw/zinc/33/47/84/185334784.db2.gz LCCTZCZRNYXBPW-AWEZNQCLSA-N 1 1 305.378 2.394 20 5 DEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC=C(C)CC1 ZINC000302150082 529932821 /nfs/dbraw/zinc/93/28/21/529932821.db2.gz LEMORJIAZBHTNL-UHFFFAOYSA-N 1 1 318.377 2.018 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CC1(c2ccccc2)CC1 ZINC000444680279 529974699 /nfs/dbraw/zinc/97/46/99/529974699.db2.gz DWFMGYJBYTXTDX-UHFFFAOYSA-N 1 1 300.362 2.492 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000444680279 529974700 /nfs/dbraw/zinc/97/47/00/529974700.db2.gz DWFMGYJBYTXTDX-UHFFFAOYSA-N 1 1 300.362 2.492 20 5 DEBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCC[C@@H]1O ZINC000331871789 530023230 /nfs/dbraw/zinc/02/32/30/530023230.db2.gz YKWMSWWQWQPPNA-HZMBPMFUSA-N 1 1 304.350 2.064 20 5 DEBDMO C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330787141 232067384 /nfs/dbraw/zinc/06/73/84/232067384.db2.gz OOHTZYRMAIIXBD-TUAOUCFPSA-N 1 1 323.368 2.388 20 5 DEBDMO Cc1cccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000614973031 362503992 /nfs/dbraw/zinc/50/39/92/362503992.db2.gz XPYHTRKIMQNKFH-CQSZACIVSA-N 1 1 305.378 2.204 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000615034619 362515545 /nfs/dbraw/zinc/51/55/45/362515545.db2.gz VJSBQRFMCCQZMN-GFCCVEGCSA-N 1 1 306.366 2.461 20 5 DEBDMO CC[C@]1(CO)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000615237560 362564283 /nfs/dbraw/zinc/56/42/83/362564283.db2.gz BVUSGVRZMRABOQ-OAHLLOKOSA-N 1 1 305.334 2.473 20 5 DEBDMO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272682036 210085269 /nfs/dbraw/zinc/08/52/69/210085269.db2.gz NTOSRHUCGHEVTN-LBPRGKRZSA-N 1 1 321.377 2.008 20 5 DEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272682036 210085272 /nfs/dbraw/zinc/08/52/72/210085272.db2.gz NTOSRHUCGHEVTN-LBPRGKRZSA-N 1 1 321.377 2.008 20 5 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321.377 2.269 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000565206843 292146327 /nfs/dbraw/zinc/14/63/27/292146327.db2.gz XXMFHTNVAFUTIL-UHFFFAOYSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000565206843 292146330 /nfs/dbraw/zinc/14/63/30/292146330.db2.gz XXMFHTNVAFUTIL-UHFFFAOYSA-N 1 1 305.378 2.378 20 5 DEBDMO CN(C)c1nccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000565218209 292148047 /nfs/dbraw/zinc/14/80/47/292148047.db2.gz MBZACDCWLNFROU-AWEZNQCLSA-N 1 1 313.361 2.228 20 5 DEBDMO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000348709768 146299718 /nfs/dbraw/zinc/29/97/18/146299718.db2.gz NGCSZKUBOVNEQO-GFCCVEGCSA-N 1 1 318.377 2.198 20 5 DEBDMO Cc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CC(C)C2)cc1[N+](=O)[O-] ZINC000565431479 292161674 /nfs/dbraw/zinc/16/16/74/292161674.db2.gz IZZLXKIYLQASGC-QWHCGFSZSA-N 1 1 305.378 2.421 20 5 DEBDMO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000369314793 147897045 /nfs/dbraw/zinc/89/70/45/147897045.db2.gz PQPVKVHMUMCWCX-ZDUSSCGKSA-N 1 1 306.362 2.365 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000369314793 147897048 /nfs/dbraw/zinc/89/70/48/147897048.db2.gz PQPVKVHMUMCWCX-ZDUSSCGKSA-N 1 1 306.362 2.365 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H](C)C1 ZINC000374368611 148237725 /nfs/dbraw/zinc/23/77/25/148237725.db2.gz VOQYGZPLOIHMSL-GFCCVEGCSA-N 1 1 321.377 2.200 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000112309920 401738359 /nfs/dbraw/zinc/73/83/59/401738359.db2.gz RLJYMEIRTBVEDI-UHFFFAOYSA-N 1 1 309.366 2.065 20 5 DEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000113198670 401769780 /nfs/dbraw/zinc/76/97/80/401769780.db2.gz RDOYTPIFEBLZGJ-ZDUSSCGKSA-N 1 1 320.393 2.293 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000076293565 401789150 /nfs/dbraw/zinc/78/91/50/401789150.db2.gz MNOVDRPMNORLQX-CYBMUJFWSA-N 1 1 322.361 2.059 20 5 DEBDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000134604182 401907877 /nfs/dbraw/zinc/90/78/77/401907877.db2.gz FBLVHNCJERACSB-CYBMUJFWSA-N 1 1 323.418 2.411 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000037643929 401916351 /nfs/dbraw/zinc/91/63/51/401916351.db2.gz IHZCQCDKYRNQBH-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136565259 401969585 /nfs/dbraw/zinc/96/95/85/401969585.db2.gz RFAJHZYQHGKFSM-SNVBAGLBSA-N 1 1 323.780 2.462 20 5 DEBDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000135429501 401938589 /nfs/dbraw/zinc/93/85/89/401938589.db2.gz HPTRNNIYNXOTJC-LBPRGKRZSA-N 1 1 309.391 2.021 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000121058954 402012501 /nfs/dbraw/zinc/01/25/01/402012501.db2.gz CNVXFVXNRMPHQO-SWLSCSKDSA-N 1 1 305.378 2.315 20 5 DEBDMO COc1cc(C[N@@H+](CCCCO)C2CC2)c([N+](=O)[O-])cc1OC ZINC000093383162 402014541 /nfs/dbraw/zinc/01/45/41/402014541.db2.gz CPDKVQXWDMXTOF-UHFFFAOYSA-N 1 1 324.377 2.349 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@H+](C)CC1 ZINC000093901509 402021895 /nfs/dbraw/zinc/02/18/95/402021895.db2.gz LBZAXKMUXBKZQW-UHFFFAOYSA-N 1 1 305.378 2.298 20 5 DEBDMO COCC[N@@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093005821 402010529 /nfs/dbraw/zinc/01/05/29/402010529.db2.gz OZKURJLQNKOFEM-UHFFFAOYSA-N 1 1 320.345 2.296 20 5 DEBDMO COc1ccc(OCC[N@H+]2[C@@H](C)CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000122351764 402074328 /nfs/dbraw/zinc/07/43/28/402074328.db2.gz GZHGLGVAARIOQI-STQMWFEESA-N 1 1 324.377 2.218 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1(O)CCCC1 ZINC000152300885 402088305 /nfs/dbraw/zinc/08/83/05/402088305.db2.gz IUCIUOQRIWQZSJ-UHFFFAOYSA-N 1 1 321.377 2.079 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000065534542 402125282 /nfs/dbraw/zinc/12/52/82/402125282.db2.gz MFRIUMAWXLVLFM-CYBMUJFWSA-N 1 1 306.362 2.475 20 5 DEBDMO O=C1[C@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000153123710 402128193 /nfs/dbraw/zinc/12/81/93/402128193.db2.gz WLBYLTZJJBKFRA-DVOMOZLQSA-N 1 1 315.373 2.432 20 5 DEBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000154034362 402188888 /nfs/dbraw/zinc/18/88/88/402188888.db2.gz ZKUQCXJMBUJHMX-CQSZACIVSA-N 1 1 309.341 2.146 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000154034362 402188890 /nfs/dbraw/zinc/18/88/90/402188890.db2.gz ZKUQCXJMBUJHMX-CQSZACIVSA-N 1 1 309.341 2.146 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000154062630 402189877 /nfs/dbraw/zinc/18/98/77/402189877.db2.gz QTJIMQXDQCWCAR-HNNXBMFYSA-N 1 1 305.378 2.315 20 5 DEBDMO CC(C)(C)C[N@@H+](CCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154156663 402195924 /nfs/dbraw/zinc/19/59/24/402195924.db2.gz ZKVXHIRAKXCHAU-OAHLLOKOSA-N 1 1 310.394 2.359 20 5 DEBDMO CSc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000108343919 402251018 /nfs/dbraw/zinc/25/10/18/402251018.db2.gz NIIICWYUHKRMRW-NSHDSACASA-N 1 1 323.418 2.388 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H]1CCCCO1 ZINC000126177612 402268604 /nfs/dbraw/zinc/26/86/04/402268604.db2.gz NXZJIFRMPJMTNG-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000126177612 402268605 /nfs/dbraw/zinc/26/86/05/402268605.db2.gz NXZJIFRMPJMTNG-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177079518 402367480 /nfs/dbraw/zinc/36/74/80/402367480.db2.gz JXENZFYOOSKUGR-WCQYABFASA-N 1 1 303.362 2.258 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177105506 402370203 /nfs/dbraw/zinc/37/02/03/402370203.db2.gz KDQPLCZIJVUKFS-RCDMQAKVSA-N 1 1 315.373 2.349 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000177441274 402403015 /nfs/dbraw/zinc/40/30/15/402403015.db2.gz AAAITSJQNLHRAE-MRXNPFEDSA-N 1 1 322.361 2.379 20 5 DEBDMO O=C(CCCC[NH+]1CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000170680505 402513818 /nfs/dbraw/zinc/51/38/18/402513818.db2.gz WXLSMEYZNMFOAK-UHFFFAOYSA-N 1 1 307.350 2.036 20 5 DEBDMO COC(=O)[C@@H](C)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000190078306 402574628 /nfs/dbraw/zinc/57/46/28/402574628.db2.gz HLCWHMKGIWTKTH-GFCCVEGCSA-N 1 1 322.361 2.390 20 5 DEBDMO COC(=O)[C@@H](C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000190078306 402574629 /nfs/dbraw/zinc/57/46/29/402574629.db2.gz HLCWHMKGIWTKTH-GFCCVEGCSA-N 1 1 322.361 2.390 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+]2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000170774659 402523433 /nfs/dbraw/zinc/52/34/33/402523433.db2.gz FXQCJIYCJKFGFP-LBPRGKRZSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180889941 402629407 /nfs/dbraw/zinc/62/94/07/402629407.db2.gz TYSUZNBCKPQQPS-GFCCVEGCSA-N 1 1 320.393 2.171 20 5 DEBDMO C[C@@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000255126088 402679736 /nfs/dbraw/zinc/67/97/36/402679736.db2.gz OAMVIMIYKCCNFK-UMAGTOLTSA-N 1 1 303.362 2.207 20 5 DEBDMO CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000255180339 402681350 /nfs/dbraw/zinc/68/13/50/402681350.db2.gz XMDKITATKYACRM-CFYYFVFUSA-N 1 1 303.362 2.161 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000183374697 402760652 /nfs/dbraw/zinc/76/06/52/402760652.db2.gz PQBLRSMTBBHINZ-OAHLLOKOSA-N 1 1 320.324 2.084 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000175162278 402784584 /nfs/dbraw/zinc/78/45/84/402784584.db2.gz OBMMYGCSGOFWGJ-LBPRGKRZSA-N 1 1 322.361 2.379 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC000175162278 402784585 /nfs/dbraw/zinc/78/45/85/402784585.db2.gz OBMMYGCSGOFWGJ-LBPRGKRZSA-N 1 1 322.361 2.379 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272562810 402953524 /nfs/dbraw/zinc/95/35/24/402953524.db2.gz ULGFHNGZPFASRH-GOEBONIOSA-N 1 1 317.389 2.080 20 5 DEBDMO CC(C)[C@H](CNc1cccc(F)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000266187512 402967295 /nfs/dbraw/zinc/96/72/95/402967295.db2.gz XMCNCUVXBBCNTI-HNNXBMFYSA-N 1 1 324.400 2.418 20 5 DEBDMO COc1ccccc1[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267098173 403015137 /nfs/dbraw/zinc/01/51/37/403015137.db2.gz SQISHMAKPWZDSV-ZDUSSCGKSA-N 1 1 316.361 2.289 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000274146898 403030953 /nfs/dbraw/zinc/03/09/53/403030953.db2.gz ICQJGYWEBLHCEY-TZMCWYRMSA-N 1 1 315.377 2.261 20 5 DEBDMO CC(C)[N@H+](C)Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000273904578 403028318 /nfs/dbraw/zinc/02/83/18/403028318.db2.gz QBLQWDAYGYOLFI-UHFFFAOYSA-N 1 1 319.365 2.473 20 5 DEBDMO CC(C)[N@@H+](C)Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000273904578 403028320 /nfs/dbraw/zinc/02/83/20/403028320.db2.gz QBLQWDAYGYOLFI-UHFFFAOYSA-N 1 1 319.365 2.473 20 5 DEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc2sccn2c1[N+](=O)[O-] ZINC000267523160 403039205 /nfs/dbraw/zinc/03/92/05/403039205.db2.gz GVPGAGHHCVQEQD-MNOVXSKESA-N 1 1 321.406 2.367 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000268095218 403048056 /nfs/dbraw/zinc/04/80/56/403048056.db2.gz CEZQVWYGWCVYPY-HZMBPMFUSA-N 1 1 304.350 2.199 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000268189590 403059741 /nfs/dbraw/zinc/05/97/41/403059741.db2.gz MRAHVAMNULYQLU-LKFCYVNXSA-N 1 1 323.780 2.461 20 5 DEBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ncn(C)n1 ZINC000275633035 403111117 /nfs/dbraw/zinc/11/11/17/403111117.db2.gz BQABUNXROHKAIQ-VXGBXAGGSA-N 1 1 303.366 2.395 20 5 DEBDMO Cn1ccnc1[C@H]([NH2+]CCC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000274951166 403098538 /nfs/dbraw/zinc/09/85/38/403098538.db2.gz SGMNJMHEYCMURE-CQSZACIVSA-N 1 1 318.377 2.168 20 5 DEBDMO CCC[NH+]1CCC(N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269276178 403127361 /nfs/dbraw/zinc/12/73/61/403127361.db2.gz IUWLYKGQAKHLER-UHFFFAOYSA-N 1 1 321.377 2.247 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000269663573 403155146 /nfs/dbraw/zinc/15/51/46/403155146.db2.gz REPSGDNTDXPBOE-ZFWWWQNUSA-N 1 1 316.361 2.231 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2cc(OCC)ccc2[N+](=O)[O-])CC1 ZINC000283898567 403231182 /nfs/dbraw/zinc/23/11/82/403231182.db2.gz IZVOAFJZYMATIK-UHFFFAOYSA-N 1 1 321.377 2.161 20 5 DEBDMO C[C@H](CO)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000276498485 403181496 /nfs/dbraw/zinc/18/14/96/403181496.db2.gz XDCDRWRNBUFSTQ-GFCCVEGCSA-N 1 1 321.377 2.159 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000284736087 403271495 /nfs/dbraw/zinc/27/14/95/403271495.db2.gz KPLNZRNYSPTYTJ-IAOVAPTHSA-N 1 1 319.405 2.369 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000298010124 403302653 /nfs/dbraw/zinc/30/26/53/403302653.db2.gz YULVAYIFJLULSA-UHFFFAOYSA-N 1 1 307.350 2.416 20 5 DEBDMO CO[C@H](C)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000285629059 403343563 /nfs/dbraw/zinc/34/35/63/403343563.db2.gz KREWNEHORSQBJG-SNVBAGLBSA-N 1 1 313.329 2.029 20 5 DEBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000331285257 403369224 /nfs/dbraw/zinc/36/92/24/403369224.db2.gz LKYLFDWISSQNJA-DVOMOZLQSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000339216350 403374680 /nfs/dbraw/zinc/37/46/80/403374680.db2.gz VYRKZYGQTPWKLJ-IIYDPXPESA-N 1 1 319.405 2.463 20 5 DEBDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000339216350 403374682 /nfs/dbraw/zinc/37/46/82/403374682.db2.gz VYRKZYGQTPWKLJ-IIYDPXPESA-N 1 1 319.405 2.463 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292893354 403382567 /nfs/dbraw/zinc/38/25/67/403382567.db2.gz GBDWTWDQHQMWAD-KRWDZBQOSA-N 1 1 319.405 2.391 20 5 DEBDMO CCc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000331606998 403429961 /nfs/dbraw/zinc/42/99/61/403429961.db2.gz ZWBAFQKRNGMGRX-ZDUSSCGKSA-N 1 1 303.362 2.124 20 5 DEBDMO C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000339849947 403471289 /nfs/dbraw/zinc/47/12/89/403471289.db2.gz GAGMYIVZZNJTTP-LBPRGKRZSA-N 1 1 319.405 2.471 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000299160336 403537720 /nfs/dbraw/zinc/53/77/20/403537720.db2.gz YOSSOFURXGLWID-KBPBESRZSA-N 1 1 319.405 2.374 20 5 DEBDMO COc1ncccc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293708703 403544457 /nfs/dbraw/zinc/54/44/57/403544457.db2.gz LTBZQMWWOGKUET-SNVBAGLBSA-N 1 1 302.334 2.431 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000340089583 403544961 /nfs/dbraw/zinc/54/49/61/403544961.db2.gz QPYYTSMFQKXTAV-UHFFFAOYSA-N 1 1 319.405 2.427 20 5 DEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000299077730 403515935 /nfs/dbraw/zinc/51/59/35/403515935.db2.gz FAYXISNWBYLESU-LLVKDONJSA-N 1 1 308.382 2.163 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000346761922 403601905 /nfs/dbraw/zinc/60/19/05/403601905.db2.gz CTPQQIHXVZLYCK-CHWSQXEVSA-N 1 1 305.378 2.458 20 5 DEBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000332368475 403562581 /nfs/dbraw/zinc/56/25/81/403562581.db2.gz UNQIZYQZLIHUIS-ZDUSSCGKSA-N 1 1 319.361 2.001 20 5 DEBDMO CC[C@@H](C)[N@@H+](CCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000287325521 403576110 /nfs/dbraw/zinc/57/61/10/403576110.db2.gz KEUQOHFFMVFHBV-LLVKDONJSA-N 1 1 320.349 2.238 20 5 DEBDMO CCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343420292 403581357 /nfs/dbraw/zinc/58/13/57/403581357.db2.gz AHKNOCMZAQQETK-SMDDNHRTSA-N 1 1 305.378 2.370 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000293856301 403582457 /nfs/dbraw/zinc/58/24/57/403582457.db2.gz ATYZTRWKDXVEDM-PHIMTYICSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC000293856301 403582459 /nfs/dbraw/zinc/58/24/59/403582459.db2.gz ATYZTRWKDXVEDM-PHIMTYICSA-N 1 1 323.418 2.481 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000294034322 403629573 /nfs/dbraw/zinc/62/95/73/403629573.db2.gz RUJISPHINHHLIU-TXEJJXNPSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC000294034322 403629581 /nfs/dbraw/zinc/62/95/81/403629581.db2.gz RUJISPHINHHLIU-TXEJJXNPSA-N 1 1 321.377 2.158 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000373057066 292286496 /nfs/dbraw/zinc/28/64/96/292286496.db2.gz JLCISEMTXBSREZ-LBPRGKRZSA-N 1 1 301.350 2.416 20 5 DEBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000343654487 403679245 /nfs/dbraw/zinc/67/92/45/403679245.db2.gz VSTQPHQMIMKUKD-JTQLQIEISA-N 1 1 319.317 2.332 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000343677291 403688761 /nfs/dbraw/zinc/68/87/61/403688761.db2.gz UARJFXVFSCCCBK-HNNXBMFYSA-N 1 1 305.378 2.128 20 5 DEBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295048102 403742441 /nfs/dbraw/zinc/74/24/41/403742441.db2.gz XUNHHRRDXINJHT-LLVKDONJSA-N 1 1 320.349 2.424 20 5 DEBDMO CC(C)C[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304981577 403806825 /nfs/dbraw/zinc/80/68/25/403806825.db2.gz GBPIJKDNTJPKMR-ZFWWWQNUSA-N 1 1 310.398 2.053 20 5 DEBDMO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000295247885 403810904 /nfs/dbraw/zinc/81/09/04/403810904.db2.gz PXVSLXCOWBAWMW-CYBMUJFWSA-N 1 1 323.349 2.486 20 5 DEBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000295247885 403810908 /nfs/dbraw/zinc/81/09/08/403810908.db2.gz PXVSLXCOWBAWMW-CYBMUJFWSA-N 1 1 323.349 2.486 20 5 DEBDMO CC(C)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000304306144 403778167 /nfs/dbraw/zinc/77/81/67/403778167.db2.gz JWEOOFSPWVHKFR-HNNXBMFYSA-N 1 1 310.398 2.195 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000289184861 403864773 /nfs/dbraw/zinc/86/47/73/403864773.db2.gz GKVLKXSKSCVCJL-UHFFFAOYSA-N 1 1 321.358 2.387 20 5 DEBDMO Cc1cc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc[nH+]1 ZINC000361808701 403879354 /nfs/dbraw/zinc/87/93/54/403879354.db2.gz BZEBEUZYXUIJRA-UHFFFAOYSA-N 1 1 321.358 2.432 20 5 DEBDMO O=[N+]([O-])c1cccnc1N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000361810559 403880247 /nfs/dbraw/zinc/88/02/47/403880247.db2.gz DPVPMUMHZOTTCF-STQMWFEESA-N 1 1 306.366 2.045 20 5 DEBDMO Cc1cc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000361810937 403880512 /nfs/dbraw/zinc/88/05/12/403880512.db2.gz GSXLRUQJQGWSOC-KGLIPLIRSA-N 1 1 320.393 2.354 20 5 DEBDMO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CCN1CCCCCC1 ZINC000344063112 403883983 /nfs/dbraw/zinc/88/39/83/403883983.db2.gz OCUQPJXWEZWACK-UHFFFAOYSA-N 1 1 323.441 2.379 20 5 DEBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CCN1CCCCCC1 ZINC000344063112 403883990 /nfs/dbraw/zinc/88/39/90/403883990.db2.gz OCUQPJXWEZWACK-UHFFFAOYSA-N 1 1 323.441 2.379 20 5 DEBDMO COc1cc(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000344190905 403967715 /nfs/dbraw/zinc/96/77/15/403967715.db2.gz XRYBJQLYOLWVNG-GHMZBOCLSA-N 1 1 312.341 2.335 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@@H](CO)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000344190905 403967727 /nfs/dbraw/zinc/96/77/27/403967727.db2.gz XRYBJQLYOLWVNG-GHMZBOCLSA-N 1 1 312.341 2.335 20 5 DEBDMO Cc1nc(NCC[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000295419156 403913344 /nfs/dbraw/zinc/91/33/44/403913344.db2.gz DUGDEFXWCFLJLA-UHFFFAOYSA-N 1 1 301.350 2.237 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(OCCC[NH3+])CC1 ZINC000336852886 403926168 /nfs/dbraw/zinc/92/61/68/403926168.db2.gz AGDDIJDWUKHWML-CYBMUJFWSA-N 1 1 307.394 2.486 20 5 DEBDMO CC(=O)NC1CCC([N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000344130721 403928615 /nfs/dbraw/zinc/92/86/15/403928615.db2.gz YGZUEZUVAXWUSG-UHFFFAOYSA-N 1 1 305.378 2.474 20 5 DEBDMO CO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000411699584 403942778 /nfs/dbraw/zinc/94/27/78/403942778.db2.gz WUUDOCZMFPXMQY-DOMZBBRYSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[C@@H](C)[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411741119 403955210 /nfs/dbraw/zinc/95/52/10/403955210.db2.gz PJRVHQWQYVHQAB-GFCCVEGCSA-N 1 1 309.366 2.016 20 5 DEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344284500 404030771 /nfs/dbraw/zinc/03/07/71/404030771.db2.gz PGFANXVSHUIZJB-UONOGXRCSA-N 1 1 307.325 2.091 20 5 DEBDMO C[C@H]1CC(C)(C)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412046393 404085105 /nfs/dbraw/zinc/08/51/05/404085105.db2.gz REOBJOSWYKMIFT-QWHCGFSZSA-N 1 1 308.378 2.455 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000351967138 404042398 /nfs/dbraw/zinc/04/23/98/404042398.db2.gz IGYGVYYRTBTDOC-UHFFFAOYSA-N 1 1 307.394 2.329 20 5 DEBDMO CC(C)S(=O)(=O)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000290255897 404100356 /nfs/dbraw/zinc/10/03/56/404100356.db2.gz WEIBWMKLSYUXHP-UHFFFAOYSA-N 1 1 320.798 2.161 20 5 DEBDMO COC[C@H]1C[C@H](OC)C[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344342738 404070953 /nfs/dbraw/zinc/07/09/53/404070953.db2.gz AJNPTICOXYZZSS-MNOVXSKESA-N 1 1 314.769 2.484 20 5 DEBDMO COC[C@H]1C[C@H](OC)C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344342738 404070958 /nfs/dbraw/zinc/07/09/58/404070958.db2.gz AJNPTICOXYZZSS-MNOVXSKESA-N 1 1 314.769 2.484 20 5 DEBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000412081943 404116497 /nfs/dbraw/zinc/11/64/97/404116497.db2.gz WWNBSMWXZJDWBR-INIZCTEOSA-N 1 1 322.361 2.379 20 5 DEBDMO CNC(=O)c1ccc(N[C@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000290563395 404222281 /nfs/dbraw/zinc/22/22/81/404222281.db2.gz ANMCLTHKGBKBIY-LLVKDONJSA-N 1 1 308.382 2.095 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000341817879 404191572 /nfs/dbraw/zinc/19/15/72/404191572.db2.gz CBQBMNFAUZIUPI-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000341817879 404191576 /nfs/dbraw/zinc/19/15/76/404191576.db2.gz CBQBMNFAUZIUPI-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000290871092 404344520 /nfs/dbraw/zinc/34/45/20/404344520.db2.gz ZPPKUGPWBPSWOA-LLVKDONJSA-N 1 1 300.742 2.082 20 5 DEBDMO C[N@H+](CC(=O)NCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000344685234 404306071 /nfs/dbraw/zinc/30/60/71/404306071.db2.gz IQQGQLYJJCHKSN-UHFFFAOYSA-N 1 1 313.357 2.343 20 5 DEBDMO C[N@@H+](CC(=O)NCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000344685234 404306080 /nfs/dbraw/zinc/30/60/80/404306080.db2.gz IQQGQLYJJCHKSN-UHFFFAOYSA-N 1 1 313.357 2.343 20 5 DEBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000344788406 404368230 /nfs/dbraw/zinc/36/82/30/404368230.db2.gz NKEYBZDQYAOFCO-STQMWFEESA-N 1 1 319.405 2.423 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000344788406 404368237 /nfs/dbraw/zinc/36/82/37/404368237.db2.gz NKEYBZDQYAOFCO-STQMWFEESA-N 1 1 319.405 2.423 20 5 DEBDMO Cc1c(CC(=O)NCC[N@@H+]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000352442114 404372206 /nfs/dbraw/zinc/37/22/06/404372206.db2.gz KMYCVGVMQNUPQV-UHFFFAOYSA-N 1 1 317.389 2.214 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000356344976 404463514 /nfs/dbraw/zinc/46/35/14/404463514.db2.gz LSBBYEBVLNTHLW-CYBMUJFWSA-N 1 1 316.361 2.229 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000356344976 404463521 /nfs/dbraw/zinc/46/35/21/404463521.db2.gz LSBBYEBVLNTHLW-CYBMUJFWSA-N 1 1 316.361 2.229 20 5 DEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000373920724 404641691 /nfs/dbraw/zinc/64/16/91/404641691.db2.gz HKGAZIAGAOYASW-QWRGUYRKSA-N 1 1 307.325 2.091 20 5 DEBDMO C[C@@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000351618477 404674265 /nfs/dbraw/zinc/67/42/65/404674265.db2.gz HKJPIXSGVAQVHM-SKDRFNHKSA-N 1 1 310.329 2.338 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351608397 404668168 /nfs/dbraw/zinc/66/81/68/404668168.db2.gz HCIUXNKXWSPMTM-SNVBAGLBSA-N 1 1 310.329 2.292 20 5 DEBDMO COc1ccc(OCC[N@@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000342596694 404669439 /nfs/dbraw/zinc/66/94/39/404669439.db2.gz RDUGPPFBBLWKQX-CYBMUJFWSA-N 1 1 324.377 2.483 20 5 DEBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000356877955 404714388 /nfs/dbraw/zinc/71/43/88/404714388.db2.gz MUBSXBUZVFYZES-NWDGAFQWSA-N 1 1 323.418 2.238 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000356877955 404714391 /nfs/dbraw/zinc/71/43/91/404714391.db2.gz MUBSXBUZVFYZES-NWDGAFQWSA-N 1 1 323.418 2.238 20 5 DEBDMO CCc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366562286 404814635 /nfs/dbraw/zinc/81/46/35/404814635.db2.gz VZCFSELDRMOUJV-KRWDZBQOSA-N 1 1 317.389 2.325 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000360986013 404869704 /nfs/dbraw/zinc/86/97/04/404869704.db2.gz QUSYBABMJXKZNP-AWEZNQCLSA-N 1 1 321.425 2.288 20 5 DEBDMO C[C@H](C[C@H](C)O)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353686312 404919682 /nfs/dbraw/zinc/91/96/82/404919682.db2.gz WYUFORWKLKFJEC-TYNCELHUSA-N 1 1 318.377 2.167 20 5 DEBDMO Cc1csc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000353699048 404927177 /nfs/dbraw/zinc/92/71/77/404927177.db2.gz QDPWBWPEGNIUCA-LLVKDONJSA-N 1 1 319.390 2.441 20 5 DEBDMO Cc1csc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000353699048 404927183 /nfs/dbraw/zinc/92/71/83/404927183.db2.gz QDPWBWPEGNIUCA-LLVKDONJSA-N 1 1 319.390 2.441 20 5 DEBDMO COc1ccc(OCCN(C)[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435620633 404997249 /nfs/dbraw/zinc/99/72/49/404997249.db2.gz DUKOHFPJMNFFBL-CYBMUJFWSA-N 1 1 323.393 2.056 20 5 DEBDMO COC[C@]1(CO)CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000451925650 405095787 /nfs/dbraw/zinc/09/57/87/405095787.db2.gz GJIMWUFUJCYBAF-CZUORRHYSA-N 1 1 308.378 2.295 20 5 DEBDMO C[C@@H](CO)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCC1 ZINC000361493189 405099681 /nfs/dbraw/zinc/09/96/81/405099681.db2.gz QJSXTXVKEYVMHA-NSHDSACASA-N 1 1 318.377 2.454 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)cc1[N+](=O)[O-] ZINC000425347712 405277783 /nfs/dbraw/zinc/27/77/83/405277783.db2.gz HWQITMKIZUNZSV-AWEZNQCLSA-N 1 1 301.350 2.332 20 5 DEBDMO CCc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425059007 405239485 /nfs/dbraw/zinc/23/94/85/405239485.db2.gz QEVTTYLGOVLQRW-GOEBONIOSA-N 1 1 317.389 2.323 20 5 DEBDMO C[C@H]1[C@@H](C)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000419391719 405246946 /nfs/dbraw/zinc/24/69/46/405246946.db2.gz KESSZWGKTKUBQW-BHPKHCPMSA-N 1 1 308.378 2.311 20 5 DEBDMO COCCO[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000444750993 405342382 /nfs/dbraw/zinc/34/23/82/405342382.db2.gz ALETUDMDLQWJQW-LLVKDONJSA-N 1 1 314.769 2.486 20 5 DEBDMO COCCO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000444750993 405342385 /nfs/dbraw/zinc/34/23/85/405342385.db2.gz ALETUDMDLQWJQW-LLVKDONJSA-N 1 1 314.769 2.486 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000426922090 405383418 /nfs/dbraw/zinc/38/34/18/405383418.db2.gz XYFAYFKPMZPEJV-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO CC(C)[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000447673535 405417916 /nfs/dbraw/zinc/41/79/16/405417916.db2.gz YQAIFAVHKXFAAB-CQSZACIVSA-N 1 1 303.366 2.248 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420635321 405365280 /nfs/dbraw/zinc/36/52/80/405365280.db2.gz MGKCIOCBEDHHBI-CYBMUJFWSA-N 1 1 317.349 2.175 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421019243 405431939 /nfs/dbraw/zinc/43/19/39/405431939.db2.gz PERDXGUCGZYGBH-AWEZNQCLSA-N 1 1 308.378 2.458 20 5 DEBDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000421396377 405488116 /nfs/dbraw/zinc/48/81/16/405488116.db2.gz WEHJOUWMLKLYGK-CQSZACIVSA-N 1 1 305.378 2.429 20 5 DEBDMO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000421396377 405488122 /nfs/dbraw/zinc/48/81/22/405488122.db2.gz WEHJOUWMLKLYGK-CQSZACIVSA-N 1 1 305.378 2.429 20 5 DEBDMO CO[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000449571951 405621038 /nfs/dbraw/zinc/62/10/38/405621038.db2.gz LQCODVOWDGIMJM-GDBMZVCRSA-N 1 1 318.329 2.046 20 5 DEBDMO CC[N@@H+](CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1)C(C)C ZINC000431945781 405700575 /nfs/dbraw/zinc/70/05/75/405700575.db2.gz KJLDUTPSGDZKMM-UHFFFAOYSA-N 1 1 323.393 2.129 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000457099632 405696229 /nfs/dbraw/zinc/69/62/29/405696229.db2.gz VQSQVFOFSXOQSS-GFCCVEGCSA-N 1 1 309.341 2.289 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457097177 405697994 /nfs/dbraw/zinc/69/79/94/405697994.db2.gz RPQIGYPPJHFUQV-CYBMUJFWSA-N 1 1 321.377 2.158 20 5 DEBDMO C[C@H](C[NH+]1CCOCC1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450258146 405803407 /nfs/dbraw/zinc/80/34/07/405803407.db2.gz PEYPUNMZZFECNA-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000560097574 405768594 /nfs/dbraw/zinc/76/85/94/405768594.db2.gz WZXSJCACHUWTHJ-ZDUSSCGKSA-N 1 1 319.405 2.330 20 5 DEBDMO Cc1nc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000450362418 405857215 /nfs/dbraw/zinc/85/72/15/405857215.db2.gz RBQPKALJVDFVOY-ZDUSSCGKSA-N 1 1 305.382 2.370 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCc3cscn3)C2)nc1 ZINC000450565916 405957689 /nfs/dbraw/zinc/95/76/89/405957689.db2.gz KEUOIDHPDKCMSU-LLVKDONJSA-N 1 1 319.390 2.175 20 5 DEBDMO COc1ccc(OCC[N@@H+](C)CC(C)(C)OC)c([N+](=O)[O-])c1 ZINC000531829373 406012241 /nfs/dbraw/zinc/01/22/41/406012241.db2.gz POGZWUUBPHNXHT-UHFFFAOYSA-N 1 1 312.366 2.339 20 5 DEBDMO CCC1(C)C[NH+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000459627568 405988612 /nfs/dbraw/zinc/98/86/12/405988612.db2.gz BEMYPXDTCFEZPY-UHFFFAOYSA-N 1 1 322.361 2.379 20 5 DEBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000466931969 406094455 /nfs/dbraw/zinc/09/44/55/406094455.db2.gz CNAPFQSLBITRMV-NFAWXSAZSA-N 1 1 308.378 2.455 20 5 DEBDMO CCC[N@H+](CC(=O)NC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470172669 406100771 /nfs/dbraw/zinc/10/07/71/406100771.db2.gz AAYOTBVGLHVEPN-LCYFTJDESA-N 1 1 305.378 2.456 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCCC[C@@H]1O)CCO2 ZINC000567740279 406131409 /nfs/dbraw/zinc/13/14/09/406131409.db2.gz RQDMUFWQJGLXFQ-WFASDCNBSA-N 1 1 306.362 2.340 20 5 DEBDMO CC(C)[C@@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000487075809 406202178 /nfs/dbraw/zinc/20/21/78/406202178.db2.gz IMWFYIAAZPYTIY-HNNXBMFYSA-N 1 1 320.393 2.076 20 5 DEBDMO CC(C)[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@H+]1C ZINC000487101054 406204760 /nfs/dbraw/zinc/20/47/60/406204760.db2.gz ZLARCTVGZDOCAT-JTQLQIEISA-N 1 1 309.395 2.080 20 5 DEBDMO COc1cc(CN2CC[N@@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000488032530 406287223 /nfs/dbraw/zinc/28/72/23/406287223.db2.gz OLKYJOYCRSDXBS-HNNXBMFYSA-N 1 1 307.394 2.375 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000571750163 406560664 /nfs/dbraw/zinc/56/06/64/406560664.db2.gz ISZVOMFQOXENMV-LBPRGKRZSA-N 1 1 322.409 2.487 20 5 DEBDMO CC(C)[N@@H+](CC[C@H]1CCNC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000571773280 406565097 /nfs/dbraw/zinc/56/50/97/406565097.db2.gz BNBZCMYBTQKMCO-CQSZACIVSA-N 1 1 305.378 2.331 20 5 DEBDMO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@@H]2C1 ZINC000491545397 406615938 /nfs/dbraw/zinc/61/59/38/406615938.db2.gz IOEZGVASOLVKTE-KXQLTZBTSA-N 1 1 319.336 2.054 20 5 DEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](CO)C(C)(C)C ZINC000134429567 196390529 /nfs/dbraw/zinc/39/05/29/196390529.db2.gz BOXDACUGHCTXHJ-AWEZNQCLSA-N 1 1 324.377 2.300 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000291199523 222215647 /nfs/dbraw/zinc/21/56/47/222215647.db2.gz UGCWZZWNWSKNQM-LLVKDONJSA-N 1 1 324.381 2.309 20 5 DEBDMO COCCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000299269639 229019624 /nfs/dbraw/zinc/01/96/24/229019624.db2.gz MPOYQQAUWVHGSV-UHFFFAOYSA-N 1 1 306.322 2.113 20 5 DEBDMO COCCC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000299269639 229019625 /nfs/dbraw/zinc/01/96/25/229019625.db2.gz MPOYQQAUWVHGSV-UHFFFAOYSA-N 1 1 306.322 2.113 20 5 DEBDMO Cc1c(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423072029 230336477 /nfs/dbraw/zinc/33/64/77/230336477.db2.gz IQOYPSLKQSFHNY-BZUAXINKSA-N 1 1 319.405 2.150 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000867113616 649856914 /nfs/dbraw/zinc/85/69/14/649856914.db2.gz UVORWEKKIDBITR-NEPJUHHUSA-N 1 1 323.368 2.218 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357332220 424815669 /nfs/dbraw/zinc/81/56/69/424815669.db2.gz FKNNCSBWPPSPKL-LBPRGKRZSA-N 1 1 315.377 2.824 20 5 DEBDMO Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000565221303 424904920 /nfs/dbraw/zinc/90/49/20/424904920.db2.gz HXZFORPRENIGST-UHFFFAOYSA-N 1 1 319.365 2.784 20 5 DEBDMO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000450451016 425074630 /nfs/dbraw/zinc/07/46/30/425074630.db2.gz IHTQTRXZFACIJH-LBPRGKRZSA-N 1 1 309.329 2.766 20 5 DEBDMO CCCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000070947395 267372434 /nfs/dbraw/zinc/37/24/34/267372434.db2.gz NYBFCPJUYRMJPL-UHFFFAOYSA-N 1 1 310.350 2.056 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000334042207 269009881 /nfs/dbraw/zinc/00/98/81/269009881.db2.gz IERDAKNBHRTDRE-ONGXEEELSA-N 1 1 311.769 2.461 20 5 DEBDMO O=[N+]([O-])c1ccc(CNc2[nH+]cccc2N2CCOCC2)cc1 ZINC000359865176 269042432 /nfs/dbraw/zinc/04/24/32/269042432.db2.gz FLTPLVCOIACRLI-UHFFFAOYSA-N 1 1 314.345 2.439 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000374400876 269093347 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Cc1ccc(CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249767118 524459069 /nfs/dbraw/zinc/45/90/69/524459069.db2.gz IQIZZJOPDMRYKU-AWEZNQCLSA-N 1 1 321.421 2.180 20 5 DEBDMO NC(=O)C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000339532410 526908555 /nfs/dbraw/zinc/90/85/55/526908555.db2.gz RNKKPMJHOPKVGS-LBPRGKRZSA-N 1 1 305.359 2.363 20 5 DEBDMO Cn1cc(-c2ncc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cn2)cn1 ZINC000366285385 527141126 /nfs/dbraw/zinc/14/11/26/527141126.db2.gz RXGUFNOLSRMVOG-UHFFFAOYSA-N 1 1 324.344 2.075 20 5 DEBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933251165 624127241 /nfs/dbraw/zinc/12/72/41/624127241.db2.gz HEXZEIGYPITZQF-IRXDYDNUSA-N 1 1 321.421 2.290 20 5 DEBDMO CC(C)C[C@H]1CN(C)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933251165 624127245 /nfs/dbraw/zinc/12/72/45/624127245.db2.gz HEXZEIGYPITZQF-IRXDYDNUSA-N 1 1 321.421 2.290 20 5 DEBDMO COc1ccc(OCC[N@H+](C)[C@H]2CC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000934129539 624744004 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ZINC000742426971 638071988 /nfs/dbraw/zinc/07/19/88/638071988.db2.gz DNPMUGOCHKAYRE-NSHDSACASA-N 1 1 322.365 2.063 20 5 DEBDMO COc1c(O)ccc(C[NH2+]Cc2cccnc2C)c1[N+](=O)[O-] ZINC000895618433 638113551 /nfs/dbraw/zinc/11/35/51/638113551.db2.gz JNNYIMGBYLPOEA-UHFFFAOYSA-N 1 1 303.318 2.302 20 5 DEBDMO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895738167 638177984 /nfs/dbraw/zinc/17/79/84/638177984.db2.gz GWKHKKPNXGTULD-BVKQBWKVSA-N 1 1 319.361 2.286 20 5 DEBDMO Cc1ccc(CNC(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000896220379 638416415 /nfs/dbraw/zinc/41/64/15/638416415.db2.gz QBOJMCGFTVPWHO-LBPRGKRZSA-N 1 1 320.393 2.044 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000896460617 638534414 /nfs/dbraw/zinc/53/44/14/638534414.db2.gz LZVCUJYWBHCXDN-QWHCGFSZSA-N 1 1 320.393 2.092 20 5 DEBDMO Cc1nn(C[N@H+](C)C[C@@H]2CCCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000749943650 638695108 /nfs/dbraw/zinc/69/51/08/638695108.db2.gz GPFNELKQYUPYHM-ZDUSSCGKSA-N 1 1 319.365 2.106 20 5 DEBDMO Cc1nn(C[N@@H+](C)C[C@@H]2CCCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000749943650 638695111 /nfs/dbraw/zinc/69/51/11/638695111.db2.gz GPFNELKQYUPYHM-ZDUSSCGKSA-N 1 1 319.365 2.106 20 5 DEBDMO CCCC[N@@H+](CCOC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749954520 638697330 /nfs/dbraw/zinc/69/73/30/638697330.db2.gz XJHUDEAOCQNLLG-UHFFFAOYSA-N 1 1 321.381 2.354 20 5 DEBDMO CC(=O)N1CCC(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001029921461 639806492 /nfs/dbraw/zinc/80/64/92/639806492.db2.gz ZPLQYLQVBCBJJK-UHFFFAOYSA-N 1 1 305.378 2.285 20 5 DEBDMO CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029922407 639809900 /nfs/dbraw/zinc/80/99/00/639809900.db2.gz MVEVJDKKBNKGAR-UHFFFAOYSA-N 1 1 305.378 2.285 20 5 DEBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000761046800 640258462 /nfs/dbraw/zinc/25/84/62/640258462.db2.gz UIFGDKXIQLJGFD-SNVBAGLBSA-N 1 1 317.267 2.078 20 5 DEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000761046800 640258465 /nfs/dbraw/zinc/25/84/65/640258465.db2.gz UIFGDKXIQLJGFD-SNVBAGLBSA-N 1 1 317.267 2.078 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2C[C@H]21 ZINC000761088817 640267465 /nfs/dbraw/zinc/26/74/65/640267465.db2.gz FEQXNAPEBWRWLU-GXFFZTMASA-N 1 1 305.334 2.026 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@]3(CCOC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765083086 640735569 /nfs/dbraw/zinc/73/55/69/640735569.db2.gz TZEPQRVLANLOKI-MRXNPFEDSA-N 1 1 316.361 2.323 20 5 DEBDMO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000767363678 640970443 /nfs/dbraw/zinc/97/04/43/640970443.db2.gz UNQYGYZSYBYZKP-UHFFFAOYSA-N 1 1 303.362 2.086 20 5 DEBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000769142635 641184178 /nfs/dbraw/zinc/18/41/78/641184178.db2.gz YNFOOEWALXSFRQ-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000769142635 641184180 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CCOCC[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777956897 642324821 /nfs/dbraw/zinc/32/48/21/642324821.db2.gz BOAPFGXPDZCJKJ-UHFFFAOYSA-N 1 1 304.350 2.384 20 5 DEBDMO CCOCC[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777956897 642324826 /nfs/dbraw/zinc/32/48/26/642324826.db2.gz BOAPFGXPDZCJKJ-UHFFFAOYSA-N 1 1 304.350 2.384 20 5 DEBDMO C[N@@H+](C[C@H]1CCOC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777964886 642325996 /nfs/dbraw/zinc/32/59/96/642325996.db2.gz UCWQPGMXURPULJ-CYBMUJFWSA-N 1 1 316.361 2.384 20 5 DEBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000901234318 642601538 /nfs/dbraw/zinc/60/15/38/642601538.db2.gz POXZDTVBKSFOMT-GOEBONIOSA-N 1 1 317.389 2.270 20 5 DEBDMO Cc1nn(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(C)c1[N+](=O)[O-] ZINC000842622987 650784748 /nfs/dbraw/zinc/78/47/48/650784748.db2.gz RPZTZBKAOIGSBR-CQSZACIVSA-N 1 1 301.350 2.250 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@H](c3cccnc3)C2)c(C)c1[N+](=O)[O-] ZINC000842622987 650784750 /nfs/dbraw/zinc/78/47/50/650784750.db2.gz RPZTZBKAOIGSBR-CQSZACIVSA-N 1 1 301.350 2.250 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H]4C[C@]4(CO)C3)co2)cc1 ZINC000782609602 642904674 /nfs/dbraw/zinc/90/46/74/642904674.db2.gz PBDJOAMUDHQHHQ-BLLLJJGKSA-N 1 1 315.329 2.064 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@@H]4C[C@]4(CO)C3)co2)cc1 ZINC000782609602 642904678 /nfs/dbraw/zinc/90/46/78/642904678.db2.gz PBDJOAMUDHQHHQ-BLLLJJGKSA-N 1 1 315.329 2.064 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H](F)C1 ZINC000902995947 643218116 /nfs/dbraw/zinc/21/81/16/643218116.db2.gz POLVCWNZGINSDZ-LLVKDONJSA-N 1 1 323.324 2.327 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H](F)C1 ZINC000902995947 643218119 /nfs/dbraw/zinc/21/81/19/643218119.db2.gz POLVCWNZGINSDZ-LLVKDONJSA-N 1 1 323.324 2.327 20 5 DEBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785545142 643247211 /nfs/dbraw/zinc/24/72/11/643247211.db2.gz FHOVXXPUQYPHFC-BHTHQVBYSA-N 1 1 308.378 2.110 20 5 DEBDMO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1=O ZINC000903388217 643338279 /nfs/dbraw/zinc/33/82/79/643338279.db2.gz LTKHDKOGBQVPLP-RISCZKNCSA-N 1 1 321.377 2.265 20 5 DEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1cccc(F)c1[N+](=O)[O-] ZINC000788565519 643624984 /nfs/dbraw/zinc/62/49/84/643624984.db2.gz KXEAKZHQBVDTNH-UHFFFAOYSA-N 1 1 311.357 2.281 20 5 DEBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1cccc(F)c1[N+](=O)[O-] ZINC000788565519 643624985 /nfs/dbraw/zinc/62/49/85/643624985.db2.gz KXEAKZHQBVDTNH-UHFFFAOYSA-N 1 1 311.357 2.281 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000792922985 644169358 /nfs/dbraw/zinc/16/93/58/644169358.db2.gz SZRWAFDSNUAAIC-BZUAXINKSA-N 1 1 306.362 2.272 20 5 DEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cn1 ZINC000799293559 645150136 /nfs/dbraw/zinc/15/01/36/645150136.db2.gz HWBDRXKLEIEZQG-OAHLLOKOSA-N 1 1 305.309 2.294 20 5 DEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cn1 ZINC000799293559 645150138 /nfs/dbraw/zinc/15/01/38/645150138.db2.gz HWBDRXKLEIEZQG-OAHLLOKOSA-N 1 1 305.309 2.294 20 5 DEBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@H](C2CC2)CC1=O ZINC000800866243 645314381 /nfs/dbraw/zinc/31/43/81/645314381.db2.gz WFEGPTAYPHWNCZ-OAHLLOKOSA-N 1 1 317.389 2.285 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@H](C2CC2)CC1=O ZINC000800866243 645314388 /nfs/dbraw/zinc/31/43/88/645314388.db2.gz WFEGPTAYPHWNCZ-OAHLLOKOSA-N 1 1 317.389 2.285 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000910290202 645392582 /nfs/dbraw/zinc/39/25/82/645392582.db2.gz YIOJDJJTOQYGRF-NSHDSACASA-N 1 1 309.341 2.290 20 5 DEBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801524989 645409385 /nfs/dbraw/zinc/40/93/85/645409385.db2.gz OLXOVWWYNKXQRI-CYBMUJFWSA-N 1 1 309.341 2.034 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000843819214 651035264 /nfs/dbraw/zinc/03/52/64/651035264.db2.gz TUYKVKPMVNTJKZ-ONGXEEELSA-N 1 1 321.352 2.397 20 5 DEBDMO C[N@H+](CCC1CC1)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840033221 645741871 /nfs/dbraw/zinc/74/18/71/645741871.db2.gz WKRYHDGRVNCGEO-INIZCTEOSA-N 1 1 319.361 2.221 20 5 DEBDMO C[N@@H+](CCC1CC1)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840033221 645741874 /nfs/dbraw/zinc/74/18/74/645741874.db2.gz WKRYHDGRVNCGEO-INIZCTEOSA-N 1 1 319.361 2.221 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804461577 645775179 /nfs/dbraw/zinc/77/51/79/645775179.db2.gz MCLCMASHXDGDIL-NSHDSACASA-N 1 1 308.338 2.281 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@]4(CCOC4)C3)c2c1 ZINC000151242414 646313910 /nfs/dbraw/zinc/31/39/10/646313910.db2.gz CPDMZYMBPAMHLY-OAHLLOKOSA-N 1 1 302.334 2.014 20 5 DEBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000913538550 646388954 /nfs/dbraw/zinc/38/89/54/646388954.db2.gz CFBYOECAQNQIIY-PHIMTYICSA-N 1 1 309.753 2.167 20 5 DEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000913538550 646388958 /nfs/dbraw/zinc/38/89/58/646388958.db2.gz CFBYOECAQNQIIY-PHIMTYICSA-N 1 1 309.753 2.167 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)C1 ZINC000813634251 646794509 /nfs/dbraw/zinc/79/45/09/646794509.db2.gz HDDJJJUSGROQCS-AWEZNQCLSA-N 1 1 306.322 2.035 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000814665640 646918751 /nfs/dbraw/zinc/91/87/51/646918751.db2.gz LHMQKIFRTSXHPU-AWEZNQCLSA-N 1 1 321.333 2.382 20 5 DEBDMO CC(C)[C@@]1(CO)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000815230245 646990675 /nfs/dbraw/zinc/99/06/75/646990675.db2.gz MVTINBUKYXDSLN-SJORKVTESA-N 1 1 322.405 2.359 20 5 DEBDMO CCCC[N@@H+](C)CC1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000151802939 647020793 /nfs/dbraw/zinc/02/07/93/647020793.db2.gz NMINGMCPIFPDDW-UHFFFAOYSA-N 1 1 309.414 2.193 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000817290541 647259317 /nfs/dbraw/zinc/25/93/17/647259317.db2.gz KBWCCNCZHPCZQP-ZDUSSCGKSA-N 1 1 321.333 2.382 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000817290541 647259322 /nfs/dbraw/zinc/25/93/22/647259322.db2.gz KBWCCNCZHPCZQP-ZDUSSCGKSA-N 1 1 321.333 2.382 20 5 DEBDMO C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000914315130 647260270 /nfs/dbraw/zinc/26/02/70/647260270.db2.gz LILHZIXDDGVLSU-YPMHNXCESA-N 1 1 306.366 2.049 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2nccn2C(F)F)c1 ZINC000818984074 647557989 /nfs/dbraw/zinc/55/79/89/647557989.db2.gz WALFOOYCFMIJBG-LLVKDONJSA-N 1 1 312.276 2.010 20 5 DEBDMO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819037123 647569257 /nfs/dbraw/zinc/56/92/57/647569257.db2.gz MBVRCKYLHSPGSM-CPUCHLNUSA-N 1 1 321.421 2.481 20 5 DEBDMO CC(C)C[N@@H+]1CC[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819151864 647595386 /nfs/dbraw/zinc/59/53/86/647595386.db2.gz GRDBASGZAFHGIJ-WMLDXEAASA-N 1 1 321.421 2.196 20 5 DEBDMO CC(C)C[N@H+]1CC[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819151864 647595390 /nfs/dbraw/zinc/59/53/90/647595390.db2.gz GRDBASGZAFHGIJ-WMLDXEAASA-N 1 1 321.421 2.196 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819318369 647633181 /nfs/dbraw/zinc/63/31/81/647633181.db2.gz ZDOIXPDDQPWOAI-BBRMVZONSA-N 1 1 309.410 2.338 20 5 DEBDMO CCCCN(C)C[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819318369 647633183 /nfs/dbraw/zinc/63/31/83/647633183.db2.gz ZDOIXPDDQPWOAI-BBRMVZONSA-N 1 1 309.410 2.338 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC000819718887 647715648 /nfs/dbraw/zinc/71/56/48/647715648.db2.gz JXMZPPWSADJYOD-SMDDNHRTSA-N 1 1 323.780 2.414 20 5 DEBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000819905219 647737348 /nfs/dbraw/zinc/73/73/48/647737348.db2.gz YAPWONFESQSJNQ-AWEZNQCLSA-N 1 1 306.366 2.030 20 5 DEBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000819905219 647737362 /nfs/dbraw/zinc/73/73/62/647737362.db2.gz YAPWONFESQSJNQ-AWEZNQCLSA-N 1 1 306.366 2.030 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000821526327 648077225 /nfs/dbraw/zinc/07/72/25/648077225.db2.gz AYSYWVXNZZYCBC-QWHCGFSZSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000821526327 648077229 /nfs/dbraw/zinc/07/72/29/648077229.db2.gz AYSYWVXNZZYCBC-QWHCGFSZSA-N 1 1 305.378 2.376 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823921385 648500332 /nfs/dbraw/zinc/50/03/32/648500332.db2.gz UWZGOBJUZIQBKA-NSHDSACASA-N 1 1 321.381 2.171 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000827210627 648993580 /nfs/dbraw/zinc/99/35/80/648993580.db2.gz PRDQJYQWMHWSFN-GFCCVEGCSA-N 1 1 309.341 2.338 20 5 DEBDMO COC(=O)N(C)CC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000827334315 649017085 /nfs/dbraw/zinc/01/70/85/649017085.db2.gz BERNLHFEHONWRR-VURMDHGXSA-N 1 1 307.350 2.238 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000827373333 649025172 /nfs/dbraw/zinc/02/51/72/649025172.db2.gz IMQGPJBOXXEBLU-DZGCQCFKSA-N 1 1 303.362 2.069 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC[C@H]21 ZINC000827375019 649025753 /nfs/dbraw/zinc/02/57/53/649025753.db2.gz SCRAFBGZNVMGEZ-IINYFYTJSA-N 1 1 323.780 2.414 20 5 DEBDMO C[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000828263563 649157383 /nfs/dbraw/zinc/15/73/83/649157383.db2.gz HMZMXCXYRRZUNV-LLVKDONJSA-N 1 1 320.349 2.424 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000829208482 649283629 /nfs/dbraw/zinc/28/36/29/649283629.db2.gz QCWPHQDKTMBNME-LLVKDONJSA-N 1 1 309.341 2.148 20 5 DEBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)C1=CC[N@@H+](C)CC1 ZINC000831937959 649661479 /nfs/dbraw/zinc/66/14/79/649661479.db2.gz XIAAWYYRJMFFMS-JTQLQIEISA-N 1 1 307.325 2.114 20 5 DEBDMO Cc1cc(Cl)c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000832697346 649736897 /nfs/dbraw/zinc/73/68/97/649736897.db2.gz ADQLSVGVLRZZRD-QMTHXVAHSA-N 1 1 323.780 2.333 20 5 DEBDMO CC(C)(C[NH+]1CCCC1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832761670 649742267 /nfs/dbraw/zinc/74/22/67/649742267.db2.gz OUBRHDLYHSXNRY-HNNXBMFYSA-N 1 1 307.394 2.092 20 5 DEBDMO CCN1C[C@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)OC1=O ZINC000846842258 651356237 /nfs/dbraw/zinc/35/62/37/651356237.db2.gz RZRJXSVGYVOSJF-OAHLLOKOSA-N 1 1 319.361 2.400 20 5 DEBDMO CCN1C[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)OC1=O ZINC000846842258 651356238 /nfs/dbraw/zinc/35/62/38/651356238.db2.gz RZRJXSVGYVOSJF-OAHLLOKOSA-N 1 1 319.361 2.400 20 5 DEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(F)ccc1[N+](=O)[O-] ZINC000847257265 651384550 /nfs/dbraw/zinc/38/45/50/651384550.db2.gz VVUBAAQRRGIFBV-DZGCQCFKSA-N 1 1 321.352 2.481 20 5 DEBDMO CCOc1ccc(C(=O)OCC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000847830302 651421927 /nfs/dbraw/zinc/42/19/27/651421927.db2.gz PMGYVIXJPNQOJC-GFCCVEGCSA-N 1 1 322.361 2.492 20 5 DEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C2 ZINC000854736710 651548289 /nfs/dbraw/zinc/54/82/89/651548289.db2.gz HDAAKPBPOHQRNE-INIZCTEOSA-N 1 1 321.352 2.292 20 5 DEBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000852458784 652404092 /nfs/dbraw/zinc/40/40/92/652404092.db2.gz LMHBQXRFCRMTMF-DAXOMENPSA-N 1 1 308.378 2.111 20 5 DEBDMO Cc1ccc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000853652506 652584572 /nfs/dbraw/zinc/58/45/72/652584572.db2.gz NTVCHJVSLVUGMT-CQSZACIVSA-N 1 1 305.378 2.204 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1Cl ZINC000928429740 693777636 /nfs/dbraw/zinc/77/76/36/693777636.db2.gz DMRPVXHMSBQBDN-BXKDBHETSA-N 1 1 311.769 2.379 20 5 DEBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000078651036 683964932 /nfs/dbraw/zinc/96/49/32/683964932.db2.gz XBXZIBXUDNNRIC-NSHDSACASA-N 1 1 323.780 2.462 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000929118877 693900002 /nfs/dbraw/zinc/90/00/02/693900002.db2.gz VNLIQBMMHUIASX-WBMJQRKESA-N 1 1 318.377 2.319 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000862788965 686376676 /nfs/dbraw/zinc/37/66/76/686376676.db2.gz INMMJUQYSBJKCP-VSGCLNPGSA-N 1 1 317.389 2.456 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000865266875 687163125 /nfs/dbraw/zinc/16/31/25/687163125.db2.gz CKQAACJTYKWSHZ-RISCZKNCSA-N 1 1 320.418 2.318 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO[C@@H]2CCOC2)C2CC2)cc1 ZINC000930140476 694098745 /nfs/dbraw/zinc/09/87/45/694098745.db2.gz AKKTUEDNDQMHNY-MRXNPFEDSA-N 1 1 306.362 2.365 20 5 DEBDMO COC(=O)N(C)CCN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000865943677 687387664 /nfs/dbraw/zinc/38/76/64/687387664.db2.gz AXDJKKABHDEPIW-UHFFFAOYSA-N 1 1 318.333 2.277 20 5 DEBDMO C[C@H]1C[C@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000866050658 687424531 /nfs/dbraw/zinc/42/45/31/687424531.db2.gz YJUGQMDEORBYAP-WCQYABFASA-N 1 1 323.368 2.218 20 5 DEBDMO O=[N+]([O-])CC[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000930303210 694131194 /nfs/dbraw/zinc/13/11/94/694131194.db2.gz VDKOAXAHRLOGJD-JTQLQIEISA-N 1 1 312.675 2.259 20 5 DEBDMO C[N@@H+](CCCCNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000868822460 688150941 /nfs/dbraw/zinc/15/09/41/688150941.db2.gz HSCPPJVSEKVMRI-UHFFFAOYSA-N 1 1 323.368 2.267 20 5 DEBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871150278 688735680 /nfs/dbraw/zinc/73/56/80/688735680.db2.gz MPARLMUDKPYMEO-UHFFFAOYSA-N 1 1 320.393 2.193 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC(Cc3ccco3)C2)c1 ZINC000871985702 688907339 /nfs/dbraw/zinc/90/73/39/688907339.db2.gz ZCUJNNFCURPNSG-MRXNPFEDSA-N 1 1 302.330 2.396 20 5 DEBDMO CC(C)(C)OC1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000871991440 688908677 /nfs/dbraw/zinc/90/86/77/688908677.db2.gz BVNAHOZNEMBCET-UHFFFAOYSA-N 1 1 321.377 2.423 20 5 DEBDMO COCC[N@@H+](C)CCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872021968 688914343 /nfs/dbraw/zinc/91/43/43/688914343.db2.gz HDCZISVYNAVHHP-GFCCVEGCSA-N 1 1 313.373 2.353 20 5 DEBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])[C@@H]1O ZINC000872256519 688965658 /nfs/dbraw/zinc/96/56/58/688965658.db2.gz UTCKZPWTOSGUDS-MAZHCROVSA-N 1 1 320.389 2.455 20 5 DEBDMO Cc1ccc(C[N@@H+](C)[C@@H]2CCCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000872267209 688969209 /nfs/dbraw/zinc/96/92/09/688969209.db2.gz TUNHVQSHWDFHOR-CQSZACIVSA-N 1 1 305.378 2.346 20 5 DEBDMO Cc1ccc(C[N@H+](C)[C@@H]2CCCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000872267209 688969210 /nfs/dbraw/zinc/96/92/10/688969210.db2.gz TUNHVQSHWDFHOR-CQSZACIVSA-N 1 1 305.378 2.346 20 5 DEBDMO C[C@H]([NH2+]Cc1cnc(N(C)C)nc1)c1ccccc1[N+](=O)[O-] ZINC000873183512 689178360 /nfs/dbraw/zinc/17/83/60/689178360.db2.gz UCMBYQUZSIFFML-NSHDSACASA-N 1 1 301.350 2.302 20 5 DEBDMO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000930911766 694269279 /nfs/dbraw/zinc/26/92/79/694269279.db2.gz OKXGDOODODTKMU-NRUUGDAUSA-N 1 1 309.341 2.208 20 5 DEBDMO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000930911763 694269835 /nfs/dbraw/zinc/26/98/35/694269835.db2.gz OKXGDOODODTKMU-BREBYQMCSA-N 1 1 309.341 2.208 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000874445537 689416487 /nfs/dbraw/zinc/41/64/87/689416487.db2.gz ADXDKQCQROYEPG-AWEZNQCLSA-N 1 1 317.389 2.426 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000874838358 689511775 /nfs/dbraw/zinc/51/17/75/689511775.db2.gz OAQQUNPKVUAZLX-HZPDHXFCSA-N 1 1 317.389 2.223 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874843207 689515096 /nfs/dbraw/zinc/51/50/96/689515096.db2.gz LXXGODKDPVAJIE-LSDHHAIUSA-N 1 1 303.362 2.212 20 5 DEBDMO C[C@@H]1[C@H](N(C)C)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000931037777 694300025 /nfs/dbraw/zinc/30/00/25/694300025.db2.gz JBFKCTJCKKTILF-CZUORRHYSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@@H]1[C@H](N(C)C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000931037777 694300026 /nfs/dbraw/zinc/30/00/26/694300026.db2.gz JBFKCTJCKKTILF-CZUORRHYSA-N 1 1 307.394 2.388 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000877594327 690162329 /nfs/dbraw/zinc/16/23/29/690162329.db2.gz FLVNXJBAXKRGJE-CYBMUJFWSA-N 1 1 308.378 2.183 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000877594327 690162332 /nfs/dbraw/zinc/16/23/32/690162332.db2.gz FLVNXJBAXKRGJE-CYBMUJFWSA-N 1 1 308.378 2.183 20 5 DEBDMO C[N@H+](CCN1CC2(C1)CCOCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000877765373 690219468 /nfs/dbraw/zinc/21/94/68/690219468.db2.gz DOWOBBGXKZSWOP-UHFFFAOYSA-N 1 1 319.405 2.139 20 5 DEBDMO C[N@@H+](CCN1CC2(C1)CCOCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000877765373 690219470 /nfs/dbraw/zinc/21/94/70/690219470.db2.gz DOWOBBGXKZSWOP-UHFFFAOYSA-N 1 1 319.405 2.139 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000879124493 690572892 /nfs/dbraw/zinc/57/28/92/690572892.db2.gz VJZWXEPPEDNFFJ-DOMZBBRYSA-N 1 1 318.377 2.461 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000879501522 690656136 /nfs/dbraw/zinc/65/61/36/690656136.db2.gz KIDYEFIFBDNZQL-SECBINFHSA-N 1 1 312.757 2.464 20 5 DEBDMO CC(C)(O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879963792 690768365 /nfs/dbraw/zinc/76/83/65/690768365.db2.gz OXSLFHWJIKHIIP-ZFWWWQNUSA-N 1 1 308.378 2.111 20 5 DEBDMO COc1cc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3C)c([N+](=O)[O-])cc1F ZINC000880136814 690815625 /nfs/dbraw/zinc/81/56/25/690815625.db2.gz SLHDTQNDXXVMKJ-ZIAGYGMSSA-N 1 1 323.368 2.411 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000880136786 690815924 /nfs/dbraw/zinc/81/59/24/690815924.db2.gz SDXYQTDDFDNUJM-HUUCEWRRSA-N 1 1 315.377 2.140 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3ncccn3)CCC2)c1 ZINC000880364987 690881495 /nfs/dbraw/zinc/88/14/95/690881495.db2.gz ZWUKGBACKDQNLM-UHFFFAOYSA-N 1 1 314.345 2.433 20 5 DEBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880429433 690896993 /nfs/dbraw/zinc/89/69/93/690896993.db2.gz WGVZPUYCWCGVLB-JSGCOSHPSA-N 1 1 314.769 2.484 20 5 DEBDMO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000881734957 691153680 /nfs/dbraw/zinc/15/36/80/691153680.db2.gz YYPDQNWZGCWZJW-UHFFFAOYSA-N 1 1 316.336 2.451 20 5 DEBDMO Cc1cc[nH+]c(N2CCN(c3ccnc(F)c3[N+](=O)[O-])CC2)c1 ZINC000882104351 691217389 /nfs/dbraw/zinc/21/73/89/691217389.db2.gz VZVJJRHNZZKTAD-UHFFFAOYSA-N 1 1 317.324 2.159 20 5 DEBDMO CC(=O)N1CCC2(C1)CC[NH+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC001040561347 691266105 /nfs/dbraw/zinc/26/61/05/691266105.db2.gz WTVQMZHWFFAAMU-UHFFFAOYSA-N 1 1 323.418 2.491 20 5 DEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000882490811 691295499 /nfs/dbraw/zinc/29/54/99/691295499.db2.gz WTJYLYILEKSZQZ-GDBMZVCRSA-N 1 1 319.405 2.374 20 5 DEBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000886252141 692036303 /nfs/dbraw/zinc/03/63/03/692036303.db2.gz UTFBKNLBNOQZBJ-INIZCTEOSA-N 1 1 301.346 2.329 20 5 DEBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000886252141 692036305 /nfs/dbraw/zinc/03/63/05/692036305.db2.gz UTFBKNLBNOQZBJ-INIZCTEOSA-N 1 1 301.346 2.329 20 5 DEBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC000886264081 692038657 /nfs/dbraw/zinc/03/86/57/692038657.db2.gz OUPVLHQVINNIOG-QGZVFWFLSA-N 1 1 313.357 2.256 20 5 DEBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC000886264081 692038662 /nfs/dbraw/zinc/03/86/62/692038662.db2.gz OUPVLHQVINNIOG-QGZVFWFLSA-N 1 1 313.357 2.256 20 5 DEBDMO C[C@@]1([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932017575 694527657 /nfs/dbraw/zinc/52/76/57/694527657.db2.gz OIRPWVZULGTOJG-BBRMVZONSA-N 1 1 319.361 2.305 20 5 DEBDMO COc1cc(C(=O)NCC[N@H+]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000890078798 692857290 /nfs/dbraw/zinc/85/72/90/692857290.db2.gz LRRZUJOSSVIJNN-UHFFFAOYSA-N 1 1 321.377 2.065 20 5 DEBDMO N=c1cc(C[NH3+])ncn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001167358990 776949839 /nfs/dbraw/zinc/94/98/39/776949839.db2.gz FSGXJUVRJQFYES-UHFFFAOYSA-N 1 1 321.340 2.386 20 5 DEBDMO Cc1[nH+]c(N)ccc1CNc1ccc2nsnc2c1[N+](=O)[O-] ZINC001167786218 778567436 /nfs/dbraw/zinc/56/74/36/778567436.db2.gz OFZXWBLNXMQLAZ-UHFFFAOYSA-N 1 1 316.346 2.497 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC[C@H]21 ZINC001333671288 1150076737 /nfs/dbraw/zinc/07/67/37/1150076737.db2.gz QAPXNXUOMHXVOB-IAQYHMDHSA-N 1 1 320.349 2.424 20 5 DEBDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011417 785003963 /nfs/dbraw/zinc/00/39/63/785003963.db2.gz KEIMQIJRZNVQFD-STQMWFEESA-N 1 1 315.414 2.278 20 5 DEBDMO CC(=O)N1CCCC[C@]12CCC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169024483 785018568 /nfs/dbraw/zinc/01/85/68/785018568.db2.gz HOAFNUXKRYMWLT-GVDBMIGSSA-N 1 1 323.437 2.299 20 5 DEBDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169026415 785020705 /nfs/dbraw/zinc/02/07/05/785020705.db2.gz LXPFKRPLYDYGFR-BFHYXJOUSA-N 1 1 312.410 2.486 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051940 785022684 /nfs/dbraw/zinc/02/26/84/785022684.db2.gz DPJGTFKWUHYOOT-FZKCQIBNSA-N 1 1 313.417 2.330 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051940 785022690 /nfs/dbraw/zinc/02/26/90/785022690.db2.gz DPJGTFKWUHYOOT-FZKCQIBNSA-N 1 1 313.417 2.330 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170336141 786914119 /nfs/dbraw/zinc/91/41/19/786914119.db2.gz UNYVLDFPUWNDDO-OCCSQVGLSA-N 1 1 308.378 2.381 20 5 DEBDMO COC(=O)CC[N@@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170354342 786916926 /nfs/dbraw/zinc/91/69/26/786916926.db2.gz JDAYPWXUNXGKQG-LLVKDONJSA-N 1 1 310.350 2.029 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC3(CN(C)C3)C2)c([N+](=O)[O-])c1 ZINC001170354318 786917302 /nfs/dbraw/zinc/91/73/02/786917302.db2.gz ISGFLZCQJVDHFF-CYBMUJFWSA-N 1 1 319.405 2.172 20 5 DEBDMO COc1ccc(C[C@@H](C)N2CCC3(C[NH+](C)C3)C2)c([N+](=O)[O-])c1 ZINC001170354318 786917311 /nfs/dbraw/zinc/91/73/11/786917311.db2.gz ISGFLZCQJVDHFF-CYBMUJFWSA-N 1 1 319.405 2.172 20 5 DEBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@H+]2CC[C@H]2C1 ZINC001158422466 787658704 /nfs/dbraw/zinc/65/87/04/787658704.db2.gz AXRAUWWNROCGAI-ZETCQYMHSA-N 1 1 303.149 2.191 20 5 DEBDMO C[N@@H+]1CCC[C@H]1c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001135504706 789366923 /nfs/dbraw/zinc/36/69/23/789366923.db2.gz QOEYAKNSVXFQOO-AWEZNQCLSA-N 1 1 315.333 2.337 20 5 DEBDMO C[N@H+]1CCC[C@H]1c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001135504706 789366930 /nfs/dbraw/zinc/36/69/30/789366930.db2.gz QOEYAKNSVXFQOO-AWEZNQCLSA-N 1 1 315.333 2.337 20 5 DEBDMO NC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914473 793530023 /nfs/dbraw/zinc/53/00/23/793530023.db2.gz GWMRLBYHJVBJDT-HOCLYGCPSA-N 1 1 317.389 2.182 20 5 DEBDMO CN1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915916 793530860 /nfs/dbraw/zinc/53/08/60/793530860.db2.gz PNRPULRONYOGLC-PVAVHDDUSA-N 1 1 301.390 2.231 20 5 DEBDMO CCC(=O)N1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173224464 793641357 /nfs/dbraw/zinc/64/13/57/793641357.db2.gz GDEZEANLBGDPIA-ZDUSSCGKSA-N 1 1 305.378 2.080 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001173228617 793643491 /nfs/dbraw/zinc/64/34/91/793643491.db2.gz YILXSFQQBFQGFG-UKRRQHHQSA-N 1 1 319.405 2.326 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001173226666 793643504 /nfs/dbraw/zinc/64/35/04/793643504.db2.gz ROBNPDKQCLMTHQ-CXAGYDPISA-N 1 1 317.389 2.128 20 5 DEBDMO CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530625 794811366 /nfs/dbraw/zinc/81/13/66/794811366.db2.gz HYEPSWCLQXPIIG-ZIAGYGMSSA-N 1 1 309.410 2.027 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001116573497 794970853 /nfs/dbraw/zinc/97/08/53/794970853.db2.gz LRYKDVTVSZMUIU-GFCCVEGCSA-N 1 1 322.340 2.436 20 5 DEBDMO Cc1nn(C[N@@H+]2CC[C@@H](c3nccs3)C2)c(C)c1[N+](=O)[O-] ZINC001119331192 795289741 /nfs/dbraw/zinc/28/97/41/795289741.db2.gz MWNSHNVSCWKJDS-LLVKDONJSA-N 1 1 307.379 2.312 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@H](c3nccs3)C2)c(C)c1[N+](=O)[O-] ZINC001119331192 795289745 /nfs/dbraw/zinc/28/97/45/795289745.db2.gz MWNSHNVSCWKJDS-LLVKDONJSA-N 1 1 307.379 2.312 20 5 DEBDMO CC1(C)CC(=O)NCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC001119515278 795315754 /nfs/dbraw/zinc/31/57/54/795315754.db2.gz BEWOOWHHLOGPEY-FNORWQNLSA-N 1 1 303.362 2.209 20 5 DEBDMO CC1(C)CC(=O)NCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC001119515278 795315759 /nfs/dbraw/zinc/31/57/59/795315759.db2.gz BEWOOWHHLOGPEY-FNORWQNLSA-N 1 1 303.362 2.209 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCCF)CC2)c1C ZINC001119565178 795323144 /nfs/dbraw/zinc/32/31/44/795323144.db2.gz OKRWRLBZWIUHRS-UHFFFAOYSA-N 1 1 323.368 2.329 20 5 DEBDMO COc1cc(C[N@@H+]2C3CCC2(CO)CC3)c([N+](=O)[O-])cc1F ZINC001119922752 795373982 /nfs/dbraw/zinc/37/39/82/795373982.db2.gz WNVRBDDZDKRHLY-UHFFFAOYSA-N 1 1 310.325 2.232 20 5 DEBDMO COc1cc(C[N@H+]2C3CCC2(CO)CC3)c([N+](=O)[O-])cc1F ZINC001119922752 795373990 /nfs/dbraw/zinc/37/39/90/795373990.db2.gz WNVRBDDZDKRHLY-UHFFFAOYSA-N 1 1 310.325 2.232 20 5 DEBDMO O=[N+]([O-])c1ccnc(N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)c1 ZINC001155087006 797677427 /nfs/dbraw/zinc/67/74/27/797677427.db2.gz OYKMXHNTFLKAFH-INIZCTEOSA-N 1 1 310.357 2.409 20 5 DEBDMO O=[N+]([O-])c1ccnc(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)c1 ZINC001155087006 797677431 /nfs/dbraw/zinc/67/74/31/797677431.db2.gz OYKMXHNTFLKAFH-INIZCTEOSA-N 1 1 310.357 2.409 20 5 DEBDMO O=C(c1ccnc2c1ccc1cccnc12)N1CC[N@H+]2CC[C@H]2C1 ZINC001155810145 797852867 /nfs/dbraw/zinc/85/28/67/797852867.db2.gz FLTPFTSITGFGOO-AWEZNQCLSA-N 1 1 318.380 2.313 20 5 DEBDMO Nc1nc(-n2ccc(C[NH2+]Cc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC001157611520 798242334 /nfs/dbraw/zinc/24/23/34/798242334.db2.gz ATKYWRDAFXHLHB-UHFFFAOYSA-N 1 1 324.344 2.048 20 5 DEBDMO Cn1cnnc1CC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001197949158 798260701 /nfs/dbraw/zinc/26/07/01/798260701.db2.gz XTLAJTBLSZSWFX-UHFFFAOYSA-N 1 1 321.406 2.240 20 5 DEBDMO COc1cc(C)nc(N2CC[N@@H+](C(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001158494085 798416677 /nfs/dbraw/zinc/41/66/77/798416677.db2.gz AMDLPMONNBFKQQ-LBPRGKRZSA-N 1 1 308.382 2.226 20 5 DEBDMO N[C@@H](CCC[NH3+])Nc1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001159786632 798608264 /nfs/dbraw/zinc/60/82/64/798608264.db2.gz GBGRIWLLYSHWIP-CYBMUJFWSA-N 1 1 309.757 2.232 20 5 DEBDMO C[N@H+]1CCC[C@](C)(Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001162339202 799066019 /nfs/dbraw/zinc/06/60/19/799066019.db2.gz IIRLVZQUVUCWBF-HNNXBMFYSA-N 1 1 301.350 2.434 20 5 DEBDMO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001162689282 799147095 /nfs/dbraw/zinc/14/70/95/799147095.db2.gz BREWHDVFWZABKX-GFCCVEGCSA-N 1 1 301.346 2.491 20 5 DEBDMO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001162689282 799147101 /nfs/dbraw/zinc/14/71/01/799147101.db2.gz BREWHDVFWZABKX-GFCCVEGCSA-N 1 1 301.346 2.491 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(N2CCC(F)(F)[C@@H]([NH3+])C2)nc1Cl ZINC001164319827 799570526 /nfs/dbraw/zinc/57/05/26/799570526.db2.gz QKFXLJCLWXSAPV-QMMMGPOBSA-N 1 1 306.700 2.124 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3c4ccccc4ncc3[N+](=O)[O-])[C@H]2C1 ZINC001164380691 799589209 /nfs/dbraw/zinc/58/92/09/799589209.db2.gz ZCNAYIDXFCWPKZ-CORIIIEPSA-N 1 1 312.373 2.317 20 5 DEBDMO CO[C@@H]1CCCN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001166952857 799986752 /nfs/dbraw/zinc/98/67/52/799986752.db2.gz ZCYVSKRICXNCJC-STMXVASLSA-N 1 1 306.366 2.137 20 5 DEBDMO COc1ccc(C[N@H+](C)Cc2cccc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000933395391 800084181 /nfs/dbraw/zinc/08/41/81/800084181.db2.gz JFFSJPOCVJASQT-UHFFFAOYSA-N 1 1 303.318 2.336 20 5 DEBDMO COc1ccc(C[N@@H+](C)Cc2cccc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000933395391 800084189 /nfs/dbraw/zinc/08/41/89/800084189.db2.gz JFFSJPOCVJASQT-UHFFFAOYSA-N 1 1 303.318 2.336 20 5 DEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933758450 800179108 /nfs/dbraw/zinc/17/91/08/800179108.db2.gz BCASQXLLRZZGLJ-RBOXIYTFSA-N 1 1 303.362 2.243 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C)CC[N@@H+](C)CC1 ZINC000933993526 800235879 /nfs/dbraw/zinc/23/58/79/800235879.db2.gz WNRSRAFDKGWLFU-HNNXBMFYSA-N 1 1 320.437 2.143 20 5 DEBDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000935174024 800583986 /nfs/dbraw/zinc/58/39/86/800583986.db2.gz XCVKSMQBJXMYNV-HUUCEWRRSA-N 1 1 317.389 2.251 20 5 DEBDMO Cc1cc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)cc(C)c1[N+](=O)[O-] ZINC001229466380 801281239 /nfs/dbraw/zinc/28/12/39/801281239.db2.gz NEHKOGYBYRJEOM-GLQYFDAESA-N 1 1 304.346 2.395 20 5 DEBDMO CC[N@H+]1CCC[C@H](OCc2ccc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001223414744 802787993 /nfs/dbraw/zinc/78/79/93/802787993.db2.gz OOTWFCGLJRMDIL-AWEZNQCLSA-N 1 1 322.361 2.382 20 5 DEBDMO CC[N@H+]1CCC[C@@H](O[C@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223648072 802806674 /nfs/dbraw/zinc/80/66/74/802806674.db2.gz LVOYQYONEBORTC-DOMZBBRYSA-N 1 1 322.361 2.310 20 5 DEBDMO CC[N@H+]1CCC[C@H](OCc2cccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001223663021 802807530 /nfs/dbraw/zinc/80/75/30/802807530.db2.gz QQGDLGBTAZSVPJ-ZDUSSCGKSA-N 1 1 322.361 2.382 20 5 DEBDMO COc1cccc(CO[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001223812888 802816935 /nfs/dbraw/zinc/81/69/35/802816935.db2.gz RLIYVFDFOBLHNB-GFCCVEGCSA-N 1 1 303.318 2.332 20 5 DEBDMO O=[N+]([O-])c1ccc2ncnc(O[C@@H]3CCc4[nH+]ccn4C3)c2c1 ZINC001226441472 803108225 /nfs/dbraw/zinc/10/82/25/803108225.db2.gz QTVLJVFGCSSZAK-LLVKDONJSA-N 1 1 311.301 2.128 20 5 DEBDMO C[N@H+]1CCC[C@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226804844 803163492 /nfs/dbraw/zinc/16/34/92/803163492.db2.gz SXGHXLMQOQRZMY-VIFPVBQESA-N 1 1 306.297 2.150 20 5 DEBDMO CC[N@H+]1CC[C@@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226805187 803163563 /nfs/dbraw/zinc/16/35/63/803163563.db2.gz WRAYPJZEWMCRQX-SECBINFHSA-N 1 1 306.297 2.150 20 5 DEBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001227121639 803204334 /nfs/dbraw/zinc/20/43/34/803204334.db2.gz DBFNKUXUEHYKQA-NSHDSACASA-N 1 1 308.334 2.243 20 5 DEBDMO C[N@H+]1CC[C@@H](Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)C1 ZINC001227368488 803234526 /nfs/dbraw/zinc/23/45/26/803234526.db2.gz AVONGYKDMPWLEO-MRVPVSSYSA-N 1 1 308.725 2.274 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2)C1 ZINC001334075757 1150187841 /nfs/dbraw/zinc/18/78/41/1150187841.db2.gz DVDOIBARYWHGGQ-OAHLLOKOSA-N 1 1 322.340 2.293 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC001331771204 1149672132 /nfs/dbraw/zinc/67/21/32/1149672132.db2.gz PNLFSVHRQHALLE-UHFFFAOYSA-N 1 1 320.397 2.252 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC001331771204 1149672194 /nfs/dbraw/zinc/67/21/94/1149672194.db2.gz PNLFSVHRQHALLE-UHFFFAOYSA-N 1 1 320.397 2.252 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001346239299 1150957727 /nfs/dbraw/zinc/95/77/27/1150957727.db2.gz SCWJRKWICMTXGB-GFCCVEGCSA-N 1 1 322.365 2.209 20 5 DEBDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001603874806 1070130950 /nfs/dbraw/zinc/13/09/50/1070130950.db2.gz PWPTWRLHXODCMA-QWRGUYRKSA-N 1 1 316.365 2.395 20 5 DEBDMO COc1ccc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC001526687726 1070333379 /nfs/dbraw/zinc/33/33/79/1070333379.db2.gz IUDIZACAVYDWFV-WDEREUQCSA-N 1 1 322.365 2.160 20 5 DEBDMO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)c(N)c1[N+](=O)[O-] ZINC001456751691 1057903621 /nfs/dbraw/zinc/90/36/21/1057903621.db2.gz RYODRPLWNLIJAX-ZDUSSCGKSA-N 1 1 318.377 2.441 20 5 DEBDMO Cc1ccc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)c(N)c1[N+](=O)[O-] ZINC001456751691 1057903622 /nfs/dbraw/zinc/90/36/22/1057903622.db2.gz RYODRPLWNLIJAX-ZDUSSCGKSA-N 1 1 318.377 2.441 20 5 DEBDMO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(C)CO ZINC001473511780 1060691018 /nfs/dbraw/zinc/69/10/18/1060691018.db2.gz NWVCCVNHRSXSOD-UHFFFAOYSA-N 1 1 320.349 2.095 20 5 DEBDMO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(C)CO ZINC001473511780 1060691023 /nfs/dbraw/zinc/69/10/23/1060691023.db2.gz NWVCCVNHRSXSOD-UHFFFAOYSA-N 1 1 320.349 2.095 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC001329175903 1148871563 /nfs/dbraw/zinc/87/15/63/1148871563.db2.gz HFPBQRCWFWNKRE-LBPRGKRZSA-N 1 1 320.393 2.098 20 5 DEBDMO C[C@H](NC(=O)c1csc(C[NH3+])n1)c1ccccc1[N+](=O)[O-] ZINC001579483203 1067352916 /nfs/dbraw/zinc/35/29/16/1067352916.db2.gz STNAMQWCNQVLSV-QMMMGPOBSA-N 1 1 306.347 2.001 20 5 DEBDMO C[C@H]1Cc2n[nH]cc2C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001620582327 1067507291 /nfs/dbraw/zinc/50/72/91/1067507291.db2.gz GLGVRGQWXNAUHE-ZBEGNZNMSA-N 1 1 316.361 2.046 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC001516429492 1068924116 /nfs/dbraw/zinc/92/41/16/1068924116.db2.gz IOVBCACGZJHWKB-RWMBFGLXSA-N 1 1 319.361 2.134 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3c4c(ccc3[N+](=O)[O-])NCC4)[C@@H]2C1 ZINC001516433023 1068925167 /nfs/dbraw/zinc/92/51/67/1068925167.db2.gz WGBRTZRFFZXGGY-ZKYQVNSYSA-N 1 1 302.378 2.315 20 5 DEBDMO CC[N@@H+](CCNC(=O)CC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480958090 1078960596 /nfs/dbraw/zinc/96/05/96/1078960596.db2.gz ZSCVEXVSSIMEEX-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO CCOc1cc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001559292466 1075118979 /nfs/dbraw/zinc/11/89/79/1075118979.db2.gz SDMVASVSPDRZHT-WBMJQRKESA-N 1 1 305.378 2.381 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001563097315 1075163758 /nfs/dbraw/zinc/16/37/58/1075163758.db2.gz DPWYZJDPPSYGJD-LLVKDONJSA-N 1 1 322.365 2.161 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC001586979846 1076409748 /nfs/dbraw/zinc/40/97/48/1076409748.db2.gz OMOGKESXPJGLBY-ZDUSSCGKSA-N 1 1 320.393 2.245 20 5 DEBDMO C[C@H]1[C@@H](C)[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC001590309993 1076609399 /nfs/dbraw/zinc/60/93/99/1076609399.db2.gz RRNWBFRVYWPZME-GMTAPVOTSA-N 1 1 316.365 2.251 20 5 DEBDMO CCc1nc([C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)n[nH]1 ZINC001620887623 1076686765 /nfs/dbraw/zinc/68/67/65/1076686765.db2.gz KUFWUWUJRXVTTD-SECBINFHSA-N 1 1 305.338 2.135 20 5 DEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCN2CCCC2)c1 ZINC001655198342 1079989741 /nfs/dbraw/zinc/98/97/41/1079989741.db2.gz FKCPOUOSQXRBLP-UHFFFAOYSA-N 1 1 315.320 2.382 20 5 DEBDMO Cc1noc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1[N+](=O)[O-] ZINC001657021093 1080147334 /nfs/dbraw/zinc/14/73/34/1080147334.db2.gz PFQKDMWBXGWTEL-NSHDSACASA-N 1 1 303.322 2.061 20 5 DEBDMO Cc1noc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1[N+](=O)[O-] ZINC001657021093 1080147346 /nfs/dbraw/zinc/14/73/46/1080147346.db2.gz PFQKDMWBXGWTEL-NSHDSACASA-N 1 1 303.322 2.061 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001663355498 1080735694 /nfs/dbraw/zinc/73/56/94/1080735694.db2.gz YCAQASIGIZJLJI-NSHDSACASA-N 1 1 321.381 2.171 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000719010480 1088761145 /nfs/dbraw/zinc/76/11/45/1088761145.db2.gz LJIRITVZZQHEFD-GFCCVEGCSA-N 1 1 310.325 2.319 20 5 DEBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001352064850 1151670584 /nfs/dbraw/zinc/67/05/84/1151670584.db2.gz LCWBGSZDMDFDOP-MRXNPFEDSA-N 1 1 324.377 2.294 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[NH+]1CC=CC1 ZINC001319963317 1140806982 /nfs/dbraw/zinc/80/69/82/1140806982.db2.gz SKFRECFKMKTDBL-UHFFFAOYSA-N 1 1 303.362 2.122 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001246566225 1140972940 /nfs/dbraw/zinc/97/29/40/1140972940.db2.gz FBPVOYFKHRTVOJ-GWCFXTLKSA-N 1 1 317.311 2.491 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001246566225 1140972954 /nfs/dbraw/zinc/97/29/54/1140972954.db2.gz FBPVOYFKHRTVOJ-GWCFXTLKSA-N 1 1 317.311 2.491 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC001322209663 1141462670 /nfs/dbraw/zinc/46/26/70/1141462670.db2.gz IQDKPXNJMRCNLB-FZMZJTMJSA-N 1 1 318.377 2.103 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001337535274 1142765170 /nfs/dbraw/zinc/76/51/70/1142765170.db2.gz LQQZYMIMAWUWDM-GFCCVEGCSA-N 1 1 311.769 2.462 20 5 DEBDMO CC[NH+](CC)CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC001337758860 1142800474 /nfs/dbraw/zinc/80/04/74/1142800474.db2.gz ANGXZVYLMQZHMF-BZUAXINKSA-N 1 1 319.405 2.241 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1C ZINC001337834503 1142804374 /nfs/dbraw/zinc/80/43/74/1142804374.db2.gz POJUXQWXZXAPFG-BFHYXJOUSA-N 1 1 317.389 2.282 20 5 DEBDMO CC(C)C[C@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001338447456 1142856383 /nfs/dbraw/zinc/85/63/83/1142856383.db2.gz BMLLQKCGHASKIG-CVEARBPZSA-N 1 1 309.410 2.194 20 5 DEBDMO CC(=O)N1CCC([N@H+](C)[C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254560496 1143248181 /nfs/dbraw/zinc/24/81/81/1143248181.db2.gz UFOAXGFFTXSPQK-CYBMUJFWSA-N 1 1 319.405 2.469 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001254560237 1143249149 /nfs/dbraw/zinc/24/91/49/1143249149.db2.gz QJWHNICCZVMTEJ-LRDDRELGSA-N 1 1 319.361 2.100 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001254569106 1143254636 /nfs/dbraw/zinc/25/46/36/1143254636.db2.gz HZPWJBAHUPFERA-UKRRQHHQSA-N 1 1 315.377 2.454 20 5 DEBDMO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254577007 1143260264 /nfs/dbraw/zinc/26/02/64/1143260264.db2.gz BFJZADWNYFPTJH-LVQVYYBASA-N 1 1 301.390 2.277 20 5 DEBDMO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ncc(F)cn1 ZINC001254578214 1143262468 /nfs/dbraw/zinc/26/24/68/1143262468.db2.gz BQTLVKXOSGGPOT-RNCFNFMXSA-N 1 1 302.309 2.342 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H](N3CCCC3)C1)C2 ZINC001254598077 1143271128 /nfs/dbraw/zinc/27/11/28/1143271128.db2.gz HBUDMSBRRKIYAX-SJORKVTESA-N 1 1 301.390 2.232 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H](N3CCCC3)C1)C2 ZINC001254598077 1143271140 /nfs/dbraw/zinc/27/11/40/1143271140.db2.gz HBUDMSBRRKIYAX-SJORKVTESA-N 1 1 301.390 2.232 20 5 DEBDMO COC(=O)[C@@H]1C[C@H](C)C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602138 1143277997 /nfs/dbraw/zinc/27/79/97/1143277997.db2.gz CGPRUNQYBHGHGA-SGIREYDYSA-N 1 1 318.373 2.193 20 5 DEBDMO CC(=O)N1CCC[C@H]([N@@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612794 1143281808 /nfs/dbraw/zinc/28/18/08/1143281808.db2.gz ZAOLRAMVKCNLEG-IRXDYDNUSA-N 1 1 317.389 2.005 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2NC)C(C)(C)C1 ZINC001304042158 1147343904 /nfs/dbraw/zinc/34/39/04/1147343904.db2.gz DOVPILYLGLZFHP-CYBMUJFWSA-N 1 1 320.393 2.097 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2NC)C(C)(C)C1 ZINC001304042160 1147343928 /nfs/dbraw/zinc/34/39/28/1147343928.db2.gz DOVPILYLGLZFHP-ZDUSSCGKSA-N 1 1 320.393 2.097 20 5 DEBDMO Nc1nnc(C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)o1 ZINC001307892900 1147439021 /nfs/dbraw/zinc/43/90/21/1147439021.db2.gz LLLDAPLQUCQDLQ-UHFFFAOYSA-N 1 1 321.312 2.079 20 5 DEBDMO CC(C)(F)C(=O)NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001317544310 1147722962 /nfs/dbraw/zinc/72/29/62/1147722962.db2.gz DZTKTFUVJUFIHU-UHFFFAOYSA-N 1 1 323.368 2.424 20 5 DEBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000286559266 219053522 /nfs/dbraw/zinc/05/35/22/219053522.db2.gz OZBBLLPCGFNUNU-XSIBGMEISA-N 1 1 302.374 2.493 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000612616554 361875241 /nfs/dbraw/zinc/87/52/41/361875241.db2.gz CQXMOZCGJLZCRV-SNVBAGLBSA-N 1 1 310.329 2.292 20 5 DEBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411165324 529415980 /nfs/dbraw/zinc/41/59/80/529415980.db2.gz JNQKWJXAARDMPC-TZMCWYRMSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278225561 214034255 /nfs/dbraw/zinc/03/42/55/214034255.db2.gz MDRDMMWXJKIJIE-UHFFFAOYSA-N 1 1 308.338 2.031 20 5 DEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000177771027 282207822 /nfs/dbraw/zinc/20/78/22/282207822.db2.gz CVHPVFVRLIJSRN-ZBFHGGJFSA-N 1 1 317.389 2.223 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCSCC1 ZINC000089981490 185273925 /nfs/dbraw/zinc/27/39/25/185273925.db2.gz KFYZYOIGFVWCRQ-LLVKDONJSA-N 1 1 309.391 2.361 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCSCC1 ZINC000089981490 185273926 /nfs/dbraw/zinc/27/39/26/185273926.db2.gz KFYZYOIGFVWCRQ-LLVKDONJSA-N 1 1 309.391 2.361 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCSCC1 ZINC000089983097 185273997 /nfs/dbraw/zinc/27/39/97/185273997.db2.gz VMWPHHVSUAKACX-NSHDSACASA-N 1 1 309.391 2.361 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCSCC1 ZINC000089983097 185273998 /nfs/dbraw/zinc/27/39/98/185273998.db2.gz VMWPHHVSUAKACX-NSHDSACASA-N 1 1 309.391 2.361 20 5 DEBDMO CN(CCOc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442777340 529928397 /nfs/dbraw/zinc/92/83/97/529928397.db2.gz IDDUQRPOCXCZAS-PBWFPOADSA-N 1 1 305.378 2.188 20 5 DEBDMO C[NH+]1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000302245388 530071998 /nfs/dbraw/zinc/07/19/98/530071998.db2.gz KLHKJYCUWBGHDK-UHFFFAOYSA-N 1 1 306.410 2.423 20 5 DEBDMO Cc1cccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000614973029 362503022 /nfs/dbraw/zinc/50/30/22/362503022.db2.gz XPYHTRKIMQNKFH-AWEZNQCLSA-N 1 1 305.378 2.204 20 5 DEBDMO C[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245201569 282383678 /nfs/dbraw/zinc/38/36/78/282383678.db2.gz KBVCZIRUYXJREC-FRRDWIJNSA-N 1 1 305.378 2.472 20 5 DEBDMO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000279807661 215163442 /nfs/dbraw/zinc/16/34/42/215163442.db2.gz PPYNSWBZLYDWCK-DVOMOZLQSA-N 1 1 306.362 2.363 20 5 DEBDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000279807661 215163447 /nfs/dbraw/zinc/16/34/47/215163447.db2.gz PPYNSWBZLYDWCK-DVOMOZLQSA-N 1 1 306.362 2.363 20 5 DEBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000376395295 282746737 /nfs/dbraw/zinc/74/67/37/282746737.db2.gz KOFKNCYTINGOKE-LBPRGKRZSA-N 1 1 315.377 2.370 20 5 DEBDMO O=C([C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000595498015 358465051 /nfs/dbraw/zinc/46/50/51/358465051.db2.gz QQTRTJSQAZNUSN-CYBMUJFWSA-N 1 1 321.352 2.178 20 5 DEBDMO C[C@@]1(O)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000280100066 215375246 /nfs/dbraw/zinc/37/52/46/215375246.db2.gz OYXHXOUTNRVLJR-OAHLLOKOSA-N 1 1 305.334 2.473 20 5 DEBDMO CC[NH+]1CCN(C[C@H](C)CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000277168057 213341322 /nfs/dbraw/zinc/34/13/22/213341322.db2.gz UDARTUVNSBTLOT-CYBMUJFWSA-N 1 1 324.400 2.419 20 5 DEBDMO Cc1noc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[N+](=O)[O-] ZINC000595516169 358471786 /nfs/dbraw/zinc/47/17/86/358471786.db2.gz DWRBWQJMYSGVTR-NSHDSACASA-N 1 1 324.381 2.005 20 5 DEBDMO Cc1noc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[N+](=O)[O-] ZINC000595516169 358471790 /nfs/dbraw/zinc/47/17/90/358471790.db2.gz DWRBWQJMYSGVTR-NSHDSACASA-N 1 1 324.381 2.005 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C ZINC000072875206 191245945 /nfs/dbraw/zinc/24/59/45/191245945.db2.gz WVWGKYVKTAICBW-LLVKDONJSA-N 1 1 307.350 2.416 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000173180154 198192652 /nfs/dbraw/zinc/19/26/52/198192652.db2.gz MFINEJXZMXGFQC-GFCCVEGCSA-N 1 1 303.362 2.117 20 5 DEBDMO C[N@@H+](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000173555021 198225953 /nfs/dbraw/zinc/22/59/53/198225953.db2.gz PGSTXWUXVMHYMP-UHFFFAOYSA-N 1 1 305.378 2.128 20 5 DEBDMO CC[N@H+]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000595534595 358476116 /nfs/dbraw/zinc/47/61/16/358476116.db2.gz CZNSDQQOLMYTOG-CQSZACIVSA-N 1 1 307.394 2.390 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000174505007 198343043 /nfs/dbraw/zinc/34/30/43/198343043.db2.gz SREQPLJTZIHDCW-GFCCVEGCSA-N 1 1 321.377 2.017 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](CO)C3)o2)c1 ZINC000174708126 198372826 /nfs/dbraw/zinc/37/28/26/198372826.db2.gz LYTWIKCMEVLYMH-LBPRGKRZSA-N 1 1 317.345 2.107 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000047676176 354327168 /nfs/dbraw/zinc/32/71/68/354327168.db2.gz UTMMVYGYTUZDLW-UHFFFAOYSA-N 1 1 302.334 2.228 20 5 DEBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000050988933 354378002 /nfs/dbraw/zinc/37/80/02/354378002.db2.gz IEORRBTUGBWQCZ-HNNXBMFYSA-N 1 1 320.389 2.455 20 5 DEBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc([N+](=O)[O-])cn2)cn1 ZINC000052510408 354405143 /nfs/dbraw/zinc/40/51/43/354405143.db2.gz YKPHEDBEWSKSPT-UHFFFAOYSA-N 1 1 310.317 2.491 20 5 DEBDMO CCC[N@H+]1CC[C@H](CNc2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 ZINC000053583366 354440047 /nfs/dbraw/zinc/44/00/47/354440047.db2.gz BBOCXBLYYUGGCK-GFCCVEGCSA-N 1 1 320.393 2.098 20 5 DEBDMO COCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000054355074 354459485 /nfs/dbraw/zinc/45/94/85/354459485.db2.gz AUSAGTYSGVIMQQ-JTQLQIEISA-N 1 1 306.322 2.284 20 5 DEBDMO COCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000054355074 354459489 /nfs/dbraw/zinc/45/94/89/354459489.db2.gz AUSAGTYSGVIMQQ-JTQLQIEISA-N 1 1 306.322 2.284 20 5 DEBDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000063835930 354659365 /nfs/dbraw/zinc/65/93/65/354659365.db2.gz XSIVPZGXCZDJLK-ZDUSSCGKSA-N 1 1 305.378 2.363 20 5 DEBDMO CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000060493506 354616401 /nfs/dbraw/zinc/61/64/01/354616401.db2.gz FORUQAAVBXWQKE-GFCCVEGCSA-N 1 1 321.377 2.423 20 5 DEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000074324176 355022497 /nfs/dbraw/zinc/02/24/97/355022497.db2.gz MSBCKGPFNWKIGJ-AWEZNQCLSA-N 1 1 317.389 2.399 20 5 DEBDMO CCO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000076404574 355147012 /nfs/dbraw/zinc/14/70/12/355147012.db2.gz LMMCOOPFZFDEBW-HNNXBMFYSA-N 1 1 322.361 2.462 20 5 DEBDMO CCO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000076404574 355147015 /nfs/dbraw/zinc/14/70/15/355147015.db2.gz LMMCOOPFZFDEBW-HNNXBMFYSA-N 1 1 322.361 2.462 20 5 DEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000087121445 355505557 /nfs/dbraw/zinc/50/55/57/355505557.db2.gz VWJDQEMHPJYNJX-HZPDHXFCSA-N 1 1 317.389 2.270 20 5 DEBDMO Cc1ccc(CN2CCC([N@@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000093394863 355681181 /nfs/dbraw/zinc/68/11/81/355681181.db2.gz NXUZAXDKTAGWPS-UHFFFAOYSA-N 1 1 321.421 2.182 20 5 DEBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093596923 355684860 /nfs/dbraw/zinc/68/48/60/355684860.db2.gz UTDWEKXKBUMEDE-CYBMUJFWSA-N 1 1 305.378 2.218 20 5 DEBDMO Cc1cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(C)[nH+]1 ZINC000133599412 355856624 /nfs/dbraw/zinc/85/66/24/355856624.db2.gz NTKOYYQUCXFRTJ-LBPRGKRZSA-N 1 1 314.349 2.087 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2nc(C)ncc2C1 ZINC000143392716 355899365 /nfs/dbraw/zinc/89/93/65/355899365.db2.gz BZRGPUKOMKUZAN-UHFFFAOYSA-N 1 1 314.345 2.260 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2nc(C)ncc2C1 ZINC000143392716 355899369 /nfs/dbraw/zinc/89/93/69/355899369.db2.gz BZRGPUKOMKUZAN-UHFFFAOYSA-N 1 1 314.345 2.260 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOCC1(C)C ZINC000165846701 355975810 /nfs/dbraw/zinc/97/58/10/355975810.db2.gz CGIAAIQROZKEQU-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185165384 356202812 /nfs/dbraw/zinc/20/28/12/356202812.db2.gz RYRUNCZEZNIUCY-LLVKDONJSA-N 1 1 311.357 2.294 20 5 DEBDMO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185222940 356204275 /nfs/dbraw/zinc/20/42/75/356204275.db2.gz GXXALBKZTDUJSR-VXGBXAGGSA-N 1 1 323.368 2.295 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CO)CC1 ZINC000293006430 356387982 /nfs/dbraw/zinc/38/79/82/356387982.db2.gz DFBWHBUVXBMARO-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000305700799 356401483 /nfs/dbraw/zinc/40/14/83/356401483.db2.gz CWTUQKORXKSQBS-ZDUSSCGKSA-N 1 1 305.334 2.471 20 5 DEBDMO C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000319945333 356442283 /nfs/dbraw/zinc/44/22/83/356442283.db2.gz HFJQKYVCNDUSRB-CQSZACIVSA-N 1 1 320.437 2.271 20 5 DEBDMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000081519752 192278856 /nfs/dbraw/zinc/27/88/56/192278856.db2.gz QICCRVBAGYEEGG-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000081519752 192278858 /nfs/dbraw/zinc/27/88/58/192278858.db2.gz QICCRVBAGYEEGG-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO CC[N@H+](CCNCCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000579824445 357036804 /nfs/dbraw/zinc/03/68/04/357036804.db2.gz IJUGCLRUPTYGMH-UHFFFAOYSA-N 1 1 322.409 2.243 20 5 DEBDMO CC[N@@H+](CCNCCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000579824445 357036810 /nfs/dbraw/zinc/03/68/10/357036810.db2.gz IJUGCLRUPTYGMH-UHFFFAOYSA-N 1 1 322.409 2.243 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000591061711 357668621 /nfs/dbraw/zinc/66/86/21/357668621.db2.gz FOIXOAVFBVMZGK-HOCLYGCPSA-N 1 1 320.389 2.457 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000276779667 213103974 /nfs/dbraw/zinc/10/39/74/213103974.db2.gz JGOUWUUNPYKDPV-AWEZNQCLSA-N 1 1 303.362 2.100 20 5 DEBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCCN2)n1 ZINC000591578064 357737777 /nfs/dbraw/zinc/73/77/77/357737777.db2.gz SNPVINRACIMXDI-HZSPNIEDSA-N 1 1 307.398 2.007 20 5 DEBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCCN1 ZINC000591578014 357738472 /nfs/dbraw/zinc/73/84/72/357738472.db2.gz MGPFBFQLBHXAEQ-OCCSQVGLSA-N 1 1 320.393 2.044 20 5 DEBDMO CC[N@@H+](CCSC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000592197419 357849175 /nfs/dbraw/zinc/84/91/75/357849175.db2.gz CCEBOKYESAKRSO-ZDUSSCGKSA-N 1 1 314.407 2.019 20 5 DEBDMO CC[N@@H+](CCSC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000592200611 357850312 /nfs/dbraw/zinc/85/03/12/357850312.db2.gz ATXGTQHTOBDTKM-LBPRGKRZSA-N 1 1 314.407 2.019 20 5 DEBDMO COc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593187512 358029467 /nfs/dbraw/zinc/02/94/67/358029467.db2.gz LDHUOIJXTGMJRZ-UTUOFQBUSA-N 1 1 321.377 2.157 20 5 DEBDMO C[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593730822 358132905 /nfs/dbraw/zinc/13/29/05/358132905.db2.gz HQRRIIQLWVIPPB-KBPBESRZSA-N 1 1 307.394 2.423 20 5 DEBDMO CC(C)(C)[C@@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000180635850 199189204 /nfs/dbraw/zinc/18/92/04/199189204.db2.gz NEFYBTQRFMEBAQ-GFCCVEGCSA-N 1 1 320.349 2.141 20 5 DEBDMO CCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595291439 358414006 /nfs/dbraw/zinc/41/40/06/358414006.db2.gz YINBQRNZOSUFPP-UHFFFAOYSA-N 1 1 323.368 2.472 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1=CCCOC1 ZINC000595752513 358540630 /nfs/dbraw/zinc/54/06/30/358540630.db2.gz MAPKABAKOFTSBV-LBPRGKRZSA-N 1 1 319.361 2.200 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1=CCCOC1 ZINC000595752513 358540633 /nfs/dbraw/zinc/54/06/33/358540633.db2.gz MAPKABAKOFTSBV-LBPRGKRZSA-N 1 1 319.361 2.200 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCn1ccnc1 ZINC000181055551 199245788 /nfs/dbraw/zinc/24/57/88/199245788.db2.gz RTVXFYIQEHJFLG-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO Cc1c(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595738449 358537602 /nfs/dbraw/zinc/53/76/02/358537602.db2.gz IGEMSZKBCSBJNI-KGLIPLIRSA-N 1 1 303.362 2.004 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596217850 358642890 /nfs/dbraw/zinc/64/28/90/358642890.db2.gz XUKQJRHBNCNQPJ-CQSZACIVSA-N 1 1 320.393 2.226 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596086391 358607163 /nfs/dbraw/zinc/60/71/63/358607163.db2.gz YMSIZYDZTRKOER-NEPJUHHUSA-N 1 1 320.393 2.226 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000596625042 358727261 /nfs/dbraw/zinc/72/72/61/358727261.db2.gz NRCIQGWYCQAFHE-NSHDSACASA-N 1 1 322.365 2.209 20 5 DEBDMO COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])cc1OC ZINC000597234900 358863633 /nfs/dbraw/zinc/86/36/33/358863633.db2.gz CTHLZWXXPGWPTD-BZNIZROVSA-N 1 1 324.377 2.062 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000597921902 359041394 /nfs/dbraw/zinc/04/13/94/359041394.db2.gz HPJYTGGANQEXEA-CYBMUJFWSA-N 1 1 305.378 2.126 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598343467 359170618 /nfs/dbraw/zinc/17/06/18/359170618.db2.gz WBSXNLGTUXSLSO-AWEZNQCLSA-N 1 1 319.405 2.473 20 5 DEBDMO C[C@H](C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000599633274 359549039 /nfs/dbraw/zinc/54/90/39/359549039.db2.gz PFEKYEWWPDDCBB-CJNGLKHVSA-N 1 1 324.425 2.300 20 5 DEBDMO CCc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000186781468 200008819 /nfs/dbraw/zinc/00/88/19/200008819.db2.gz CJUKOGDGCHGHSA-UHFFFAOYSA-N 1 1 305.378 2.323 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(CO)CC1 ZINC000186966513 200040209 /nfs/dbraw/zinc/04/02/09/200040209.db2.gz AUOZIBDJWXDKRC-GFCCVEGCSA-N 1 1 321.377 2.016 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000600311599 359720260 /nfs/dbraw/zinc/72/02/60/359720260.db2.gz PUEASRBJBNYBEG-NSHDSACASA-N 1 1 309.341 2.196 20 5 DEBDMO CC[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188067142 200188650 /nfs/dbraw/zinc/18/86/50/200188650.db2.gz RNQQVEFCEZPSNU-UHFFFAOYSA-N 1 1 303.318 2.162 20 5 DEBDMO CC[N@@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188067142 200188651 /nfs/dbraw/zinc/18/86/51/200188651.db2.gz RNQQVEFCEZPSNU-UHFFFAOYSA-N 1 1 303.318 2.162 20 5 DEBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000429768708 237492476 /nfs/dbraw/zinc/49/24/76/237492476.db2.gz BAEBCVSIVSEJAE-QWHCGFSZSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H]1C[C@H](Nc2ccnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000601118301 359928381 /nfs/dbraw/zinc/92/83/81/359928381.db2.gz CETLDPVMAHSSFB-VXGBXAGGSA-N 1 1 300.362 2.460 20 5 DEBDMO C[C@@H](CO[C@H]1CCOC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601127996 359932349 /nfs/dbraw/zinc/93/23/49/359932349.db2.gz YICGVYUGKYTNBV-AAEUAGOBSA-N 1 1 317.345 2.171 20 5 DEBDMO CCO[C@H]1COCC[C@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601141574 359938882 /nfs/dbraw/zinc/93/88/82/359938882.db2.gz FYVITYOBSQANAI-CVEARBPZSA-N 1 1 317.345 2.171 20 5 DEBDMO CC1=CC[N@@H+](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601445141 360042779 /nfs/dbraw/zinc/04/27/79/360042779.db2.gz QZQVXVFIROOEHO-UHFFFAOYSA-N 1 1 307.325 2.116 20 5 DEBDMO COCC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])cc1COC ZINC000189429359 200399780 /nfs/dbraw/zinc/39/97/80/200399780.db2.gz YKODQJPDBFVHLY-UHFFFAOYSA-N 1 1 311.382 2.121 20 5 DEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000602084196 360258941 /nfs/dbraw/zinc/25/89/41/360258941.db2.gz IZFMONJYVYUACU-OAHLLOKOSA-N 1 1 303.362 2.228 20 5 DEBDMO CO[C@]1(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOC1 ZINC000602440072 360373320 /nfs/dbraw/zinc/37/33/20/360373320.db2.gz NQXSFQDTWRWXRJ-INIZCTEOSA-N 1 1 306.362 2.365 20 5 DEBDMO CCC[C@@H](C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602474665 360393546 /nfs/dbraw/zinc/39/35/46/360393546.db2.gz RDFACJRSUICRQG-OCCSQVGLSA-N 1 1 308.382 2.291 20 5 DEBDMO CSC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602922269 360627380 /nfs/dbraw/zinc/62/73/80/360627380.db2.gz FQXFMEYGZQADSF-UHFFFAOYSA-N 1 1 323.418 2.385 20 5 DEBDMO CC[NH+](CC)Cc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603198336 360742614 /nfs/dbraw/zinc/74/26/14/360742614.db2.gz SDRXENJEDNHUHU-UHFFFAOYSA-N 1 1 303.366 2.271 20 5 DEBDMO O=[N+]([O-])c1ccc(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603662032 360852607 /nfs/dbraw/zinc/85/26/07/360852607.db2.gz BLAHFKIMLMFDOX-KRWDZBQOSA-N 1 1 319.405 2.282 20 5 DEBDMO O=[N+]([O-])c1ccc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000603662033 360852727 /nfs/dbraw/zinc/85/27/27/360852727.db2.gz BLAHFKIMLMFDOX-QGZVFWFLSA-N 1 1 319.405 2.282 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000271970312 209349488 /nfs/dbraw/zinc/34/94/88/209349488.db2.gz MUZPIGHDRSNTDD-UHFFFAOYSA-N 1 1 315.329 2.333 20 5 DEBDMO Cc1c([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cnn1C ZINC000444687217 238246373 /nfs/dbraw/zinc/24/63/73/238246373.db2.gz FPTWUTGUSLBJJL-VIFPVBQESA-N 1 1 314.349 2.364 20 5 DEBDMO COc1ccncc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000292822287 223261291 /nfs/dbraw/zinc/26/12/91/223261291.db2.gz XBKWIOJJESURBW-UHFFFAOYSA-N 1 1 303.318 2.297 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610990978 361505743 /nfs/dbraw/zinc/50/57/43/361505743.db2.gz WXZUUSXREAEWIN-LBPRGKRZSA-N 1 1 310.350 2.093 20 5 DEBDMO CC[N@@H+](C[C@H]1CCOC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611205228 361548287 /nfs/dbraw/zinc/54/82/87/361548287.db2.gz OQGUBSLGYVYUPM-CHWSQXEVSA-N 1 1 321.377 2.280 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000611713861 361665852 /nfs/dbraw/zinc/66/58/52/361665852.db2.gz IWELAKRZOUWHPB-ABAIWWIYSA-N 1 1 313.361 2.068 20 5 DEBDMO CO[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000281581707 216399717 /nfs/dbraw/zinc/39/97/17/216399717.db2.gz DGLQRDMDVYXDQU-SWLSCSKDSA-N 1 1 321.377 2.057 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000281581707 216399719 /nfs/dbraw/zinc/39/97/19/216399719.db2.gz DGLQRDMDVYXDQU-SWLSCSKDSA-N 1 1 321.377 2.057 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000619566967 363828022 /nfs/dbraw/zinc/82/80/22/363828022.db2.gz CWJJFVNQKRWHHV-NSHDSACASA-N 1 1 309.341 2.290 20 5 DEBDMO COC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619718510 363864720 /nfs/dbraw/zinc/86/47/20/363864720.db2.gz NHDRAGLNQKCNFD-LBPRGKRZSA-N 1 1 307.350 2.034 20 5 DEBDMO COC1(C)CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271800577 209226478 /nfs/dbraw/zinc/22/64/78/209226478.db2.gz WMJINPZHJJIJPO-LBPRGKRZSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000449195944 240176586 /nfs/dbraw/zinc/17/65/86/240176586.db2.gz XCRDHKXSHBGNNQ-RISCZKNCSA-N 1 1 300.362 2.396 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C ZINC000091437634 193056430 /nfs/dbraw/zinc/05/64/30/193056430.db2.gz RGSCNHSCPMJRNP-ZJUUUORDSA-N 1 1 311.769 2.461 20 5 DEBDMO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCC1 ZINC000451547628 243096424 /nfs/dbraw/zinc/09/64/24/243096424.db2.gz LGUHARQBMHLRCA-AWEZNQCLSA-N 1 1 303.362 2.007 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451622811 243214136 /nfs/dbraw/zinc/21/41/36/243214136.db2.gz ASMDMRTXLILHRI-OLZOCXBDSA-N 1 1 320.393 2.109 20 5 DEBDMO C[C@@H](CCO)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000093303487 193226707 /nfs/dbraw/zinc/22/67/07/193226707.db2.gz HFRIBSQLWZFMBH-AWEZNQCLSA-N 1 1 318.377 2.064 20 5 DEBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000282452794 217006913 /nfs/dbraw/zinc/00/69/13/217006913.db2.gz FMOLHHQRFIYFRE-BDJLRTHQSA-N 1 1 322.361 2.234 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)C1 ZINC000288551826 220227427 /nfs/dbraw/zinc/22/74/27/220227427.db2.gz SWGVACHSWICBEG-LLVKDONJSA-N 1 1 316.361 2.242 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)C1 ZINC000288551826 220227433 /nfs/dbraw/zinc/22/74/33/220227433.db2.gz SWGVACHSWICBEG-LLVKDONJSA-N 1 1 316.361 2.242 20 5 DEBDMO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457093014 247602299 /nfs/dbraw/zinc/60/22/99/247602299.db2.gz XYVBKULSTMLBJC-AWEZNQCLSA-N 1 1 305.378 2.458 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000458157591 248174389 /nfs/dbraw/zinc/17/43/89/248174389.db2.gz CSFQZBAREHIQSI-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO Cc1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000458193587 248194935 /nfs/dbraw/zinc/19/49/35/248194935.db2.gz PQUOCRJPIRJQGY-CYBMUJFWSA-N 1 1 305.378 2.365 20 5 DEBDMO C[N@H+]1C[C@@]23CN(c4ccncc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001354343396 1151887731 /nfs/dbraw/zinc/88/77/31/1151887731.db2.gz WWQDPOVBGOLXBA-IYBDPMFKSA-N 1 1 302.378 2.302 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492280957 249030146 /nfs/dbraw/zinc/03/01/46/249030146.db2.gz AQCMWWRLDYZGJB-OTHLQRGRSA-N 1 1 303.362 2.159 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000492323952 249040309 /nfs/dbraw/zinc/04/03/09/249040309.db2.gz PBFFNZXJJKHGGN-NAISLTENSA-N 1 1 303.362 2.159 20 5 DEBDMO COCC[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104675637 194024360 /nfs/dbraw/zinc/02/43/60/194024360.db2.gz VBHWCWBKPKCDOE-UHFFFAOYSA-N 1 1 305.334 2.371 20 5 DEBDMO C[C@H](NC(=O)NC[C@H](C)[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000105159728 194080987 /nfs/dbraw/zinc/08/09/87/194080987.db2.gz FLBYMIYQGXEJHA-RYUDHWBXSA-N 1 1 320.393 2.438 20 5 DEBDMO O=[N+]([O-])c1ccccc1-c1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000273860875 211120952 /nfs/dbraw/zinc/12/09/52/211120952.db2.gz CVPSAQYCBBHSHU-GXFFZTMASA-N 1 1 316.317 2.181 20 5 DEBDMO CC(C)N1CC[C@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000285163678 218315389 /nfs/dbraw/zinc/31/53/89/218315389.db2.gz ASJAABHFRRZTIK-HNNXBMFYSA-N 1 1 305.378 2.078 20 5 DEBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000331017177 533025476 /nfs/dbraw/zinc/02/54/76/533025476.db2.gz YVENXPKXEHREPG-HNNXBMFYSA-N 1 1 307.350 2.479 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000270154290 208216632 /nfs/dbraw/zinc/21/66/32/208216632.db2.gz ROEHOWALKUQCGX-DOMZBBRYSA-N 1 1 321.377 2.016 20 5 DEBDMO CC(C)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272897569 210286838 /nfs/dbraw/zinc/28/68/38/210286838.db2.gz CEFSSCNBXKTWQF-KGLIPLIRSA-N 1 1 308.378 2.455 20 5 DEBDMO COCCOCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000288763967 220399699 /nfs/dbraw/zinc/39/96/99/220399699.db2.gz HRGTYCNAYBOQMH-UHFFFAOYSA-N 1 1 302.758 2.343 20 5 DEBDMO COCCOCC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000288763967 220399702 /nfs/dbraw/zinc/39/97/02/220399702.db2.gz HRGTYCNAYBOQMH-UHFFFAOYSA-N 1 1 302.758 2.343 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000157264632 197174596 /nfs/dbraw/zinc/17/45/96/197174596.db2.gz GNDQZQSAUXMQGR-BXUZGUMPSA-N 1 1 321.352 2.290 20 5 DEBDMO Cc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000157027464 197156767 /nfs/dbraw/zinc/15/67/67/197156767.db2.gz DMUUWAMVFUIZTH-HOCLYGCPSA-N 1 1 317.389 2.460 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000154964568 197008872 /nfs/dbraw/zinc/00/88/72/197008872.db2.gz DTLDUDFTMRIRCS-GOEBONIOSA-N 1 1 317.389 2.460 20 5 DEBDMO Cc1cnn([C@@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289818143 221246618 /nfs/dbraw/zinc/24/66/18/221246618.db2.gz JDNSQFPVQUEUID-CQSZACIVSA-N 1 1 316.361 2.426 20 5 DEBDMO Cc1cnn([C@H]2CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000290008579 221376262 /nfs/dbraw/zinc/37/62/62/221376262.db2.gz UIWXTRKLAGUVEN-HOTGVXAUSA-N 1 1 316.361 2.080 20 5 DEBDMO Cc1cnn([C@H]2CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000290008583 221377000 /nfs/dbraw/zinc/37/70/00/221377000.db2.gz UIWXTRKLAGUVEN-JKSUJKDBSA-N 1 1 316.361 2.080 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000366655953 131309651 /nfs/dbraw/zinc/30/96/51/131309651.db2.gz OZMDHUMJFJUCRV-KBPBESRZSA-N 1 1 306.362 2.332 20 5 DEBDMO C[C@H](O)C[C@H](C)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353682557 132993017 /nfs/dbraw/zinc/99/30/17/132993017.db2.gz OGIGEKADKZFTBG-HUBLWGQQSA-N 1 1 318.377 2.167 20 5 DEBDMO CC1=CC[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000358057893 133118558 /nfs/dbraw/zinc/11/85/58/133118558.db2.gz BYPXJSNQIXWJMB-UHFFFAOYSA-N 1 1 307.325 2.116 20 5 DEBDMO Cc1cc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c(F)cc1[N+](=O)[O-] ZINC000360064604 133159812 /nfs/dbraw/zinc/15/98/12/133159812.db2.gz DAAKDIRSXVZTFM-LBPRGKRZSA-N 1 1 309.341 2.317 20 5 DEBDMO Cc1cc(NC[C@H]2C[N@H+](C3CC3)CCO2)c(F)cc1[N+](=O)[O-] ZINC000360064604 133159813 /nfs/dbraw/zinc/15/98/13/133159813.db2.gz DAAKDIRSXVZTFM-LBPRGKRZSA-N 1 1 309.341 2.317 20 5 DEBDMO CN(C)c1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000360291028 133173598 /nfs/dbraw/zinc/17/35/98/133173598.db2.gz FAOOSVGEPNLZDJ-UHFFFAOYSA-N 1 1 315.333 2.106 20 5 DEBDMO Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000372587392 133359254 /nfs/dbraw/zinc/35/92/54/133359254.db2.gz MSBXQDHNYHIDGI-UONOGXRCSA-N 1 1 303.362 2.260 20 5 DEBDMO Cc1ccc(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372877817 133368935 /nfs/dbraw/zinc/36/89/35/133368935.db2.gz BRMNDIHLYBLPRK-CQSZACIVSA-N 1 1 318.421 2.484 20 5 DEBDMO Cc1ccc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372877817 133368936 /nfs/dbraw/zinc/36/89/36/133368936.db2.gz BRMNDIHLYBLPRK-CQSZACIVSA-N 1 1 318.421 2.484 20 5 DEBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+]1CCC[C@@H](C)C1 ZINC000246465254 145103690 /nfs/dbraw/zinc/10/36/90/145103690.db2.gz NOHGMSHGURSQBO-VXGBXAGGSA-N 1 1 320.393 2.027 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000247009537 145123165 /nfs/dbraw/zinc/12/31/65/145123165.db2.gz ZBTMJZCZTYGDKI-BBRMVZONSA-N 1 1 306.362 2.475 20 5 DEBDMO CC(C)C(=O)NCC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255882709 145205126 /nfs/dbraw/zinc/20/51/26/145205126.db2.gz RJZGUWJMMNLXGL-VURMDHGXSA-N 1 1 305.378 2.312 20 5 DEBDMO C[NH2+]CCC1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000261942614 145245083 /nfs/dbraw/zinc/24/50/83/145245083.db2.gz LTCLTVAWVUTTNW-UHFFFAOYSA-N 1 1 307.394 2.425 20 5 DEBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000349345211 146370727 /nfs/dbraw/zinc/37/07/27/146370727.db2.gz IXUCPIIWNWAYRQ-FUEXJSSKSA-N 1 1 304.268 2.463 20 5 DEBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000349345211 146370728 /nfs/dbraw/zinc/37/07/28/146370728.db2.gz IXUCPIIWNWAYRQ-FUEXJSSKSA-N 1 1 304.268 2.463 20 5 DEBDMO CC(C)[N@@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358353632 147117850 /nfs/dbraw/zinc/11/78/50/147117850.db2.gz OHKQSJUQQNFXNN-UHFFFAOYSA-N 1 1 311.357 2.123 20 5 DEBDMO COc1cc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000358757053 147197998 /nfs/dbraw/zinc/19/79/98/147197998.db2.gz FLKXSYVQDSUGLG-NSHDSACASA-N 1 1 321.377 2.078 20 5 DEBDMO Cc1csc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000369682113 147941162 /nfs/dbraw/zinc/94/11/62/147941162.db2.gz RFNHKYDHSZEHSO-UHFFFAOYSA-N 1 1 307.379 2.393 20 5 DEBDMO Cn1cc(C[N@H+]2CCCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000372433497 148208288 /nfs/dbraw/zinc/20/82/88/148208288.db2.gz JMTRTJKQOBMOKA-UHFFFAOYSA-N 1 1 316.361 2.218 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000073779114 401722061 /nfs/dbraw/zinc/72/20/61/401722061.db2.gz MKHWCXYYZURTRX-SNVBAGLBSA-N 1 1 307.350 2.272 20 5 DEBDMO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)C ZINC000114725519 401808354 /nfs/dbraw/zinc/80/83/54/401808354.db2.gz QJBIUOPIDNGOPJ-UHFFFAOYSA-N 1 1 323.349 2.240 20 5 DEBDMO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000087330809 401930992 /nfs/dbraw/zinc/93/09/92/401930992.db2.gz GRWDTYAHAKOKQR-OAHLLOKOSA-N 1 1 305.378 2.080 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000119052648 401922082 /nfs/dbraw/zinc/92/20/82/401922082.db2.gz FPXQQZASHYKZPJ-CQSZACIVSA-N 1 1 321.377 2.077 20 5 DEBDMO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000038629939 401922910 /nfs/dbraw/zinc/92/29/10/401922910.db2.gz WJOWDEFEUATLRB-CQSZACIVSA-N 1 1 317.345 2.149 20 5 DEBDMO CC(C)[N@@H+](CCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089886689 401970329 /nfs/dbraw/zinc/97/03/29/401970329.db2.gz VRBWYSHDTRMPSR-UHFFFAOYSA-N 1 1 305.334 2.453 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000046701861 401971750 /nfs/dbraw/zinc/97/17/50/401971750.db2.gz YAUYHEHNVPFECR-GUTXKFCHSA-N 1 1 308.378 2.312 20 5 DEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000046954353 401976610 /nfs/dbraw/zinc/97/66/10/401976610.db2.gz HQLJFOPJHIJXTN-RYUDHWBXSA-N 1 1 320.393 2.148 20 5 DEBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000047213345 401979913 /nfs/dbraw/zinc/97/99/13/401979913.db2.gz ZOTWRYUUQPCPGC-KBPBESRZSA-N 1 1 319.405 2.374 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089301574 401941539 /nfs/dbraw/zinc/94/15/39/401941539.db2.gz XAHXKFTWNHGHBS-HNNXBMFYSA-N 1 1 305.378 2.128 20 5 DEBDMO CCCC[N@@H+](CCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000121445166 402036865 /nfs/dbraw/zinc/03/68/65/402036865.db2.gz VUSZQFHBPNJXAS-UHFFFAOYSA-N 1 1 323.393 2.326 20 5 DEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000053404513 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2.004 20 5 DEBDMO CC[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000125441403 402232624 /nfs/dbraw/zinc/23/26/24/402232624.db2.gz VQGRFXDFDVJVBK-GFCCVEGCSA-N 1 1 303.362 2.216 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000108338943 402250877 /nfs/dbraw/zinc/25/08/77/402250877.db2.gz AHJZKSVQCJMLMW-HSBSLETESA-N 1 1 303.362 2.066 20 5 DEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCCCO1 ZINC000126163025 402267425 /nfs/dbraw/zinc/26/74/25/402267425.db2.gz ARHRSFCROISJIV-OAHLLOKOSA-N 1 1 322.361 2.462 20 5 DEBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCCCO1 ZINC000126163025 402267428 /nfs/dbraw/zinc/26/74/28/402267428.db2.gz ARHRSFCROISJIV-OAHLLOKOSA-N 1 1 322.361 2.462 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000195621194 402273605 /nfs/dbraw/zinc/27/36/05/402273605.db2.gz HGGMCJZNMJQKHS-OLZOCXBDSA-N 1 1 305.378 2.445 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000159072421 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KASANQNTZZAJHL-CJNGLKHVSA-N 1 1 317.389 2.460 20 5 DEBDMO Cc1c(CC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000245908279 402496129 /nfs/dbraw/zinc/49/61/29/402496129.db2.gz CSYSEWCORUATEJ-IUODEOHRSA-N 1 1 319.405 2.244 20 5 DEBDMO CC(C)(O)C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000189876110 402563818 /nfs/dbraw/zinc/56/38/18/402563818.db2.gz OATSNJSBNJKHLY-UHFFFAOYSA-N 1 1 322.361 2.197 20 5 DEBDMO CSc1cccc(C(=O)NCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000188112139 402515604 /nfs/dbraw/zinc/51/56/04/402515604.db2.gz PRQLSPMXSIJWIO-UHFFFAOYSA-N 1 1 311.407 2.387 20 5 DEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171694175 402610656 /nfs/dbraw/zinc/61/06/56/402610656.db2.gz YTFKNKMWHCQPNJ-LLVKDONJSA-N 1 1 309.391 2.361 20 5 DEBDMO COC(=O)[C@H](C)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000171303473 402576152 /nfs/dbraw/zinc/57/61/52/402576152.db2.gz LSWVEIJSKMDXCT-LLVKDONJSA-N 1 1 322.361 2.377 20 5 DEBDMO COc1cc(C[N@@H+]2[C@@H](C)CCC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000184266997 402831271 /nfs/dbraw/zinc/83/12/71/402831271.db2.gz PBISNVRSCQUJJH-JQWIXIFHSA-N 1 1 312.341 2.478 20 5 DEBDMO COc1cc(C[N@H+]2[C@@H](C)CCC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000184266997 402831273 /nfs/dbraw/zinc/83/12/73/402831273.db2.gz PBISNVRSCQUJJH-JQWIXIFHSA-N 1 1 312.341 2.478 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000184337436 402836678 /nfs/dbraw/zinc/83/66/78/402836678.db2.gz PNSWMOGJFBXUGM-GFCCVEGCSA-N 1 1 320.393 2.027 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000278893405 402883135 /nfs/dbraw/zinc/88/31/35/402883135.db2.gz ZQUKMVOELXHLET-WCQYABFASA-N 1 1 303.362 2.116 20 5 DEBDMO COc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000272176136 402906222 /nfs/dbraw/zinc/90/62/22/402906222.db2.gz JIABTCBEBZDMFQ-IINYFYTJSA-N 1 1 309.341 2.273 20 5 DEBDMO CC[C@H](O)CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272565338 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321.377 2.343 20 5 DEBDMO CO[C@]1(C)CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000279357988 402934532 /nfs/dbraw/zinc/93/45/32/402934532.db2.gz QVVATMBICUZJPC-MRXNPFEDSA-N 1 1 321.377 2.424 20 5 DEBDMO CSc1ccc(C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000280340664 402989890 /nfs/dbraw/zinc/98/98/90/402989890.db2.gz WDGSBJOHTPKADC-UHFFFAOYSA-N 1 1 321.402 2.308 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000273343495 402996064 /nfs/dbraw/zinc/99/60/64/402996064.db2.gz AZEMVWXZTYKCAA-NXEZZACHSA-N 1 1 322.340 2.481 20 5 DEBDMO Cc1c(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280438934 402999864 /nfs/dbraw/zinc/99/98/64/402999864.db2.gz MXYMGPCWBVIXOV-CJNGLKHVSA-N 1 1 306.362 2.283 20 5 DEBDMO Cc1c(C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280438934 402999865 /nfs/dbraw/zinc/99/98/65/402999865.db2.gz MXYMGPCWBVIXOV-CJNGLKHVSA-N 1 1 306.362 2.283 20 5 DEBDMO CCc1ccc(C(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000266927378 403000421 /nfs/dbraw/zinc/00/04/21/403000421.db2.gz MVMOYNUPMQDCMK-UHFFFAOYSA-N 1 1 317.389 2.468 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@@H+](C)CCCO)CC1 ZINC000266987460 403005950 /nfs/dbraw/zinc/00/59/50/403005950.db2.gz BNGUMXSAZFGJRG-UHFFFAOYSA-N 1 1 307.394 2.186 20 5 DEBDMO Cc1nnc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])s1 ZINC000273559229 403015250 /nfs/dbraw/zinc/01/52/50/403015250.db2.gz DBRZPENZSYMMFC-VIFPVBQESA-N 1 1 308.363 2.484 20 5 DEBDMO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000273564035 403015548 /nfs/dbraw/zinc/01/55/48/403015548.db2.gz DVKPGOLLEJUKKV-QPUJVOFHSA-N 1 1 308.363 2.139 20 5 DEBDMO CC[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000266544505 402972732 /nfs/dbraw/zinc/97/27/32/402972732.db2.gz RMIIGALDHHYYEV-RRFJBIMHSA-N 1 1 321.421 2.433 20 5 DEBDMO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268247779 403066468 /nfs/dbraw/zinc/06/64/68/403066468.db2.gz PZFKWNVLYVKWKA-SMDDNHRTSA-N 1 1 303.362 2.116 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000268352006 403075933 /nfs/dbraw/zinc/07/59/33/403075933.db2.gz RNONUMRNIFJKOT-VNHYZAJKSA-N 1 1 306.362 2.066 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000268382982 403078793 /nfs/dbraw/zinc/07/87/93/403078793.db2.gz OIUZMSZQOAYMCR-LLVKDONJSA-N 1 1 311.407 2.364 20 5 DEBDMO CCN1CC[NH+]([C@H]2CCN(c3cccc(C)c3[N+](=O)[O-])C2)CC1 ZINC000275376604 403102109 /nfs/dbraw/zinc/10/21/09/403102109.db2.gz ANIXHOGYDGXOFI-HNNXBMFYSA-N 1 1 318.421 2.119 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000275494999 403103069 /nfs/dbraw/zinc/10/30/69/403103069.db2.gz BWTJKPCUULOFFY-DOMZBBRYSA-N 1 1 318.377 2.461 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000269869262 403171945 /nfs/dbraw/zinc/17/19/45/403171945.db2.gz YIGSTNCDTMMWMK-CHWSQXEVSA-N 1 1 321.377 2.077 20 5 DEBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000277609086 403236162 /nfs/dbraw/zinc/23/61/62/403236162.db2.gz VCAUNWOYCMDPST-ZDUSSCGKSA-N 1 1 303.362 2.342 20 5 DEBDMO C[C@@H]1CSCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283352092 403191457 /nfs/dbraw/zinc/19/14/57/403191457.db2.gz QZPMBOIMDJMSSJ-LLVKDONJSA-N 1 1 309.391 2.361 20 5 DEBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000283407726 403195465 /nfs/dbraw/zinc/19/54/65/403195465.db2.gz FUUCYTDQPLCXDE-RYUDHWBXSA-N 1 1 307.350 2.033 20 5 DEBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1(CO)CC1 ZINC000285430090 403295006 /nfs/dbraw/zinc/29/50/06/403295006.db2.gz HLTKUKPTCFPTJV-UHFFFAOYSA-N 1 1 315.167 2.314 20 5 DEBDMO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000331183872 403346999 /nfs/dbraw/zinc/34/69/99/403346999.db2.gz YFLSIFOJYBTOFN-OAHLLOKOSA-N 1 1 305.378 2.315 20 5 DEBDMO COc1c(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000331062739 403319950 /nfs/dbraw/zinc/31/99/50/403319950.db2.gz ONRXEQLFUYODPU-CQSZACIVSA-N 1 1 321.377 2.016 20 5 DEBDMO COc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000331062739 403319955 /nfs/dbraw/zinc/31/99/55/403319955.db2.gz ONRXEQLFUYODPU-CQSZACIVSA-N 1 1 321.377 2.016 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292238743 403330009 /nfs/dbraw/zinc/33/00/09/403330009.db2.gz JHEPGUVTIPMENO-MRXNPFEDSA-N 1 1 305.378 2.273 20 5 DEBDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000331287873 403370432 /nfs/dbraw/zinc/37/04/32/403370432.db2.gz ZDOLUGNDNBSHDU-TZMCWYRMSA-N 1 1 321.377 2.341 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000331287873 403370434 /nfs/dbraw/zinc/37/04/34/403370434.db2.gz ZDOLUGNDNBSHDU-TZMCWYRMSA-N 1 1 321.377 2.341 20 5 DEBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000331292418 403371489 /nfs/dbraw/zinc/37/14/89/403371489.db2.gz QADCTTAZPOCHDJ-VNHYZAJKSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000298496194 403396842 /nfs/dbraw/zinc/39/68/42/403396842.db2.gz LTFPUBGGHDNTLP-CHWSQXEVSA-N 1 1 305.378 2.445 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1C ZINC000342935000 403402756 /nfs/dbraw/zinc/40/27/56/403402756.db2.gz QFOZEVVXEFGRLF-WDEREUQCSA-N 1 1 316.361 2.289 20 5 DEBDMO CO[C@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285885937 403403281 /nfs/dbraw/zinc/40/32/81/403403281.db2.gz YYJVXPODJGAOHG-SECBINFHSA-N 1 1 315.757 2.153 20 5 DEBDMO CO[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285885937 403403284 /nfs/dbraw/zinc/40/32/84/403403284.db2.gz YYJVXPODJGAOHG-SECBINFHSA-N 1 1 315.757 2.153 20 5 DEBDMO CO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000332234836 403523997 /nfs/dbraw/zinc/52/39/97/403523997.db2.gz POFJAHLIOTYXFD-JQWIXIFHSA-N 1 1 304.350 2.470 20 5 DEBDMO CO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000332234836 403523999 /nfs/dbraw/zinc/52/39/99/403523999.db2.gz POFJAHLIOTYXFD-JQWIXIFHSA-N 1 1 304.350 2.470 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000345903321 403526550 /nfs/dbraw/zinc/52/65/50/403526550.db2.gz JTFKLEXBHWWUQC-NEPJUHHUSA-N 1 1 321.377 2.158 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000345903323 403527628 /nfs/dbraw/zinc/52/76/28/403527628.db2.gz JTFKLEXBHWWUQC-NWDGAFQWSA-N 1 1 321.377 2.158 20 5 DEBDMO C[N@@H+](Cc1ccccc1)C1CN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000286507949 403532329 /nfs/dbraw/zinc/53/23/29/403532329.db2.gz YTVOSMNSIDAIQX-UHFFFAOYSA-N 1 1 312.373 2.498 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000332330448 403552804 /nfs/dbraw/zinc/55/28/04/403552804.db2.gz QSGUOZZMKQTZHO-HNNXBMFYSA-N 1 1 324.356 2.377 20 5 DEBDMO Cc1nc(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cs1 ZINC000332171608 403504505 /nfs/dbraw/zinc/50/45/05/403504505.db2.gz UGCZKRXIXOADPR-UHFFFAOYSA-N 1 1 304.375 2.356 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000299076065 403515007 /nfs/dbraw/zinc/51/50/07/403515007.db2.gz HTCANWJGSDNJLE-KGLIPLIRSA-N 1 1 319.405 2.374 20 5 DEBDMO C[C@H]1C[N@H+](C)CCN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340120618 403554668 /nfs/dbraw/zinc/55/46/68/403554668.db2.gz ZWXJKEZHFKSHIZ-LBPRGKRZSA-N 1 1 305.378 2.035 20 5 DEBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340120618 403554672 /nfs/dbraw/zinc/55/46/72/403554672.db2.gz ZWXJKEZHFKSHIZ-LBPRGKRZSA-N 1 1 305.378 2.035 20 5 DEBDMO C[C@H]1[C@@H](NC(=O)CSc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343428569 403586652 /nfs/dbraw/zinc/58/66/52/403586652.db2.gz HCOWUWVXVPBCRE-RYUDHWBXSA-N 1 1 323.418 2.286 20 5 DEBDMO O=C(NCC[NH+]1CCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000343443428 403592064 /nfs/dbraw/zinc/59/20/64/403592064.db2.gz IZDJGTYSAMUZKO-UHFFFAOYSA-N 1 1 317.267 2.049 20 5 DEBDMO C[C@@H]1[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000347262627 403641166 /nfs/dbraw/zinc/64/11/66/403641166.db2.gz NCZXNFMGCUQXSK-RNCFNFMXSA-N 1 1 310.329 2.338 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000294155064 403660551 /nfs/dbraw/zinc/66/05/51/403660551.db2.gz NRGUVOJTRAKZAF-QGZVFWFLSA-N 1 1 317.389 2.461 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000347320307 403662491 /nfs/dbraw/zinc/66/24/91/403662491.db2.gz WTEJJVXNQYQVTQ-LFHSMUGYSA-N 1 1 304.346 2.491 20 5 DEBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000301730882 403670845 /nfs/dbraw/zinc/67/08/45/403670845.db2.gz XKIVQCIKTRFQQC-LBPRGKRZSA-N 1 1 301.350 2.182 20 5 DEBDMO CN(C)CC[N@@H+](C)CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000341033772 403745049 /nfs/dbraw/zinc/74/50/49/403745049.db2.gz IEFKHHPIDHZMJP-UHFFFAOYSA-N 1 1 316.352 2.168 20 5 DEBDMO CN(CCCNc1c(F)cc([N+](=O)[O-])cc1F)CC[NH+](C)C ZINC000341033772 403745055 /nfs/dbraw/zinc/74/50/55/403745055.db2.gz IEFKHHPIDHZMJP-UHFFFAOYSA-N 1 1 316.352 2.168 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000341109535 403778318 /nfs/dbraw/zinc/77/83/18/403778318.db2.gz BHXIOXPJJWNKMV-LBPRGKRZSA-N 1 1 322.409 2.487 20 5 DEBDMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295305410 403845137 /nfs/dbraw/zinc/84/51/37/403845137.db2.gz JUQIWVBIXGOEBR-NHYWBVRUSA-N 1 1 303.362 2.399 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)(C)C ZINC000411404332 403846948 /nfs/dbraw/zinc/84/69/48/403846948.db2.gz YEFXKEKSMAVWHJ-AWEZNQCLSA-N 1 1 323.393 2.262 20 5 DEBDMO Cc1cc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc[nH+]1 ZINC000361810274 403879013 /nfs/dbraw/zinc/87/90/13/403879013.db2.gz VQOGVQWPTNICBD-UHFFFAOYSA-N 1 1 321.358 2.432 20 5 DEBDMO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1O ZINC000351776254 403911316 /nfs/dbraw/zinc/91/13/16/403911316.db2.gz AVOWAMKQXCUQRP-IINYFYTJSA-N 1 1 303.318 2.062 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1O ZINC000351776254 403911323 /nfs/dbraw/zinc/91/13/23/403911323.db2.gz AVOWAMKQXCUQRP-IINYFYTJSA-N 1 1 303.318 2.062 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000295424325 403917031 /nfs/dbraw/zinc/91/70/31/403917031.db2.gz UJKGQDPOCBGVBZ-QWRGUYRKSA-N 1 1 318.333 2.212 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000295424325 403917036 /nfs/dbraw/zinc/91/70/36/403917036.db2.gz UJKGQDPOCBGVBZ-QWRGUYRKSA-N 1 1 318.333 2.212 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(C(N)=O)CC1 ZINC000182737752 292294923 /nfs/dbraw/zinc/29/49/23/292294923.db2.gz IWFXYAQXLNAGNQ-GFCCVEGCSA-N 1 1 306.366 2.051 20 5 DEBDMO CC[N@@H+](CCOCCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000337386712 403988524 /nfs/dbraw/zinc/98/85/24/403988524.db2.gz LSJOKIWRKSUZIS-KAMYIIQDSA-N 1 1 308.378 2.329 20 5 DEBDMO COC(=O)[C@@]1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000337418879 404009999 /nfs/dbraw/zinc/00/99/99/404009999.db2.gz AKCZDECAXGGYLA-WBMJQRKESA-N 1 1 322.361 2.105 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCCOC1 ZINC000352213098 404219902 /nfs/dbraw/zinc/21/99/02/404219902.db2.gz SWQFUQKSNGZGPC-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412225252 404196233 /nfs/dbraw/zinc/19/62/33/404196233.db2.gz KDELDJBSJRRGMS-AVRGHOLYSA-N 1 1 317.389 2.249 20 5 DEBDMO C[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000290518595 404202256 /nfs/dbraw/zinc/20/22/56/404202256.db2.gz CFFDRRMLGLHPMO-LLVKDONJSA-N 1 1 300.742 2.082 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337820829 404260992 /nfs/dbraw/zinc/26/09/92/404260992.db2.gz UGRDERNPNZQKPA-UONOGXRCSA-N 1 1 305.378 2.320 20 5 DEBDMO C[N@@H+](C[C@H](O)COc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000290798813 404317373 /nfs/dbraw/zinc/31/73/73/404317373.db2.gz PGRHGDMUJHNURO-NSHDSACASA-N 1 1 300.742 2.082 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1OCCc2ccccc21 ZINC000350118324 404325442 /nfs/dbraw/zinc/32/54/42/404325442.db2.gz SPBFTJCLJIHCJQ-MRXNPFEDSA-N 1 1 316.361 2.037 20 5 DEBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345060601 404524834 /nfs/dbraw/zinc/52/48/34/404524834.db2.gz HDOGYPBXDNMVPO-STQMWFEESA-N 1 1 319.405 2.423 20 5 DEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345060601 404524842 /nfs/dbraw/zinc/52/48/42/404524842.db2.gz HDOGYPBXDNMVPO-STQMWFEESA-N 1 1 319.405 2.423 20 5 DEBDMO Cc1c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000373933859 404646265 /nfs/dbraw/zinc/64/62/65/404646265.db2.gz NYIUKWNYYXBOFX-STQMWFEESA-N 1 1 303.362 2.260 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000352769899 404607044 /nfs/dbraw/zinc/60/70/44/404607044.db2.gz LYEWIDPXJBAYQY-GXTWGEPZSA-N 1 1 303.362 2.271 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000352769899 404607053 /nfs/dbraw/zinc/60/70/53/404607053.db2.gz LYEWIDPXJBAYQY-GXTWGEPZSA-N 1 1 303.362 2.271 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000330581084 404692886 /nfs/dbraw/zinc/69/28/86/404692886.db2.gz QJHCSZGSYJLFDB-WDEREUQCSA-N 1 1 309.341 2.289 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000374889590 404713207 /nfs/dbraw/zinc/71/32/07/404713207.db2.gz CIQTWBVVAMCMLC-SWLSCSKDSA-N 1 1 303.362 2.069 20 5 DEBDMO Cn1ccnc1[C@H]([NH2+]C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000353439837 404831565 /nfs/dbraw/zinc/83/15/65/404831565.db2.gz JPJQFDUYZXYMGB-OAHLLOKOSA-N 1 1 316.361 2.186 20 5 DEBDMO CC[C@@H](CCO)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353535462 404858912 /nfs/dbraw/zinc/85/89/12/404858912.db2.gz VYLPCOXSMGTXJM-ZFWWWQNUSA-N 1 1 318.377 2.168 20 5 DEBDMO CCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC(C)(C)O ZINC000353535907 404859884 /nfs/dbraw/zinc/85/98/84/404859884.db2.gz GZCUNNBTIMXFFZ-UHFFFAOYSA-N 1 1 323.393 2.325 20 5 DEBDMO COc1ccc(OCC[N@H+]2CC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000451321169 404953242 /nfs/dbraw/zinc/95/32/42/404953242.db2.gz NIAYBPLWJBQSIN-GFCCVEGCSA-N 1 1 312.391 2.420 20 5 DEBDMO CS[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000451321210 404954094 /nfs/dbraw/zinc/95/40/94/404954094.db2.gz NRXDFRKQQIQEBS-LBPRGKRZSA-N 1 1 309.391 2.279 20 5 DEBDMO CS[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000451321210 404954103 /nfs/dbraw/zinc/95/41/03/404954103.db2.gz NRXDFRKQQIQEBS-LBPRGKRZSA-N 1 1 309.391 2.279 20 5 DEBDMO O=C(C[N@@H+]1CC2CCC1CC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000378386615 404950550 /nfs/dbraw/zinc/95/05/50/404950550.db2.gz WFQFTPFNPWYRQC-UHFFFAOYSA-N 1 1 315.373 2.358 20 5 DEBDMO O=C(C[N@H+]1CC2CCC1CC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000378386615 404950553 /nfs/dbraw/zinc/95/05/53/404950553.db2.gz WFQFTPFNPWYRQC-UHFFFAOYSA-N 1 1 315.373 2.358 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000424117338 405013052 /nfs/dbraw/zinc/01/30/52/405013052.db2.gz YWPFAQHGWPMTFI-IINYFYTJSA-N 1 1 322.340 2.292 20 5 DEBDMO C[C@H](CO)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000361484194 405095439 /nfs/dbraw/zinc/09/54/39/405095439.db2.gz IDQDGQLXFIJVPK-GFCCVEGCSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H](CO)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000361500748 405103978 /nfs/dbraw/zinc/10/39/78/405103978.db2.gz IRLHNPJHNDBRGF-ZDUSSCGKSA-N 1 1 308.378 2.457 20 5 DEBDMO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H](C)OC ZINC000361576475 405138182 /nfs/dbraw/zinc/13/81/82/405138182.db2.gz HXCGDXKNDCRJSF-LBPRGKRZSA-N 1 1 309.366 2.199 20 5 DEBDMO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H](C)OC ZINC000361576475 405138190 /nfs/dbraw/zinc/13/81/90/405138190.db2.gz HXCGDXKNDCRJSF-LBPRGKRZSA-N 1 1 309.366 2.199 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CCCO)C1 ZINC000452137161 405192089 /nfs/dbraw/zinc/19/20/89/405192089.db2.gz ZKBPIJRQEJETOO-STQMWFEESA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)[C@H]1C ZINC000419375140 405244891 /nfs/dbraw/zinc/24/48/91/405244891.db2.gz QZNFZQKZIZFBMU-AGIUHOORSA-N 1 1 317.389 2.460 20 5 DEBDMO COCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000419392269 405247105 /nfs/dbraw/zinc/24/71/05/405247105.db2.gz YEBRHLONOSZICQ-LBPRGKRZSA-N 1 1 309.366 2.280 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1(CN)CCC1 ZINC000420325095 405319939 /nfs/dbraw/zinc/31/99/39/405319939.db2.gz HZQMHHKBJPXIOL-UHFFFAOYSA-N 1 1 320.393 2.045 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1(CN)CCC1 ZINC000420325095 405319940 /nfs/dbraw/zinc/31/99/40/405319940.db2.gz HZQMHHKBJPXIOL-UHFFFAOYSA-N 1 1 320.393 2.045 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426204842 405344263 /nfs/dbraw/zinc/34/42/63/405344263.db2.gz SMKJIXJRFFRRKX-KCPJHIHWSA-N 1 1 321.377 2.157 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425543719 405300769 /nfs/dbraw/zinc/30/07/69/405300769.db2.gz BNNVVPWXBSFSTH-AWEZNQCLSA-N 1 1 320.393 2.109 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425543719 405300771 /nfs/dbraw/zinc/30/07/71/405300771.db2.gz BNNVVPWXBSFSTH-AWEZNQCLSA-N 1 1 320.393 2.109 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426466325 405361527 /nfs/dbraw/zinc/36/15/27/405361527.db2.gz FKLGRAFQWABTIR-MJBXVCDLSA-N 1 1 306.362 2.209 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC(OC(C)(C)C)C1 ZINC000421012778 405429043 /nfs/dbraw/zinc/42/90/43/405429043.db2.gz QJRSGJWJWDKAFV-UHFFFAOYSA-N 1 1 323.393 2.034 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000421706404 405598711 /nfs/dbraw/zinc/59/87/11/405598711.db2.gz URHUIEHXNUTCAU-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000557533115 405603307 /nfs/dbraw/zinc/60/33/07/405603307.db2.gz IZQWKDUTBMJINI-NSHDSACASA-N 1 1 319.361 2.338 20 5 DEBDMO COc1c(C(=O)NCC[N@H+]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000457066948 405677797 /nfs/dbraw/zinc/67/77/97/405677797.db2.gz ZVBSMVZOIXXMOJ-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457078067 405683758 /nfs/dbraw/zinc/68/37/58/405683758.db2.gz AOTAGASPOGRPHA-CYBMUJFWSA-N 1 1 305.378 2.458 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000457093650 405694777 /nfs/dbraw/zinc/69/47/77/405694777.db2.gz YLPOKNGRFRFGCT-HNNXBMFYSA-N 1 1 305.378 2.078 20 5 DEBDMO C[C@@H]1COCC[N@@H+]1CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432331917 405750702 /nfs/dbraw/zinc/75/07/02/405750702.db2.gz RSUQQRBZOSKYGK-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@@H]1COCC[N@H+]1CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432331917 405750705 /nfs/dbraw/zinc/75/07/05/405750705.db2.gz RSUQQRBZOSKYGK-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000559758081 405752377 /nfs/dbraw/zinc/75/23/77/405752377.db2.gz DFIMWNMATFGLNP-MRXNPFEDSA-N 1 1 319.405 2.282 20 5 DEBDMO O=[N+]([O-])c1cccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000559758081 405752383 /nfs/dbraw/zinc/75/23/83/405752383.db2.gz DFIMWNMATFGLNP-MRXNPFEDSA-N 1 1 319.405 2.282 20 5 DEBDMO CCc1nn(C)c(NC[C@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000433809435 405985838 /nfs/dbraw/zinc/98/58/38/405985838.db2.gz UUVVMSFBMZGSER-GFCCVEGCSA-N 1 1 307.398 2.320 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000562563622 406035488 /nfs/dbraw/zinc/03/54/88/406035488.db2.gz PKKWONXIPNTJBR-ZDUSSCGKSA-N 1 1 305.378 2.363 20 5 DEBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000533437180 406142650 /nfs/dbraw/zinc/14/26/50/406142650.db2.gz YBWAOKNBKYVROE-UHFFFAOYSA-N 1 1 303.362 2.358 20 5 DEBDMO Cn1ccnc1[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000534580291 406191611 /nfs/dbraw/zinc/19/16/11/406191611.db2.gz ZTYDIAPOORLIQV-ZDUSSCGKSA-N 1 1 316.361 2.197 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000486966184 406193372 /nfs/dbraw/zinc/19/33/72/406193372.db2.gz KBUPNYHYWNNAFC-GHMZBOCLSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000486966184 406193373 /nfs/dbraw/zinc/19/33/73/406193373.db2.gz KBUPNYHYWNNAFC-GHMZBOCLSA-N 1 1 323.418 2.481 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n1 ZINC000488715808 406340246 /nfs/dbraw/zinc/34/02/46/406340246.db2.gz BEARPEUWXBWGFG-TYNCELHUSA-N 1 1 304.394 2.465 20 5 DEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000524155940 406441989 /nfs/dbraw/zinc/44/19/89/406441989.db2.gz COGRGYKCEQUSLK-GFCCVEGCSA-N 1 1 320.393 2.097 20 5 DEBDMO CSc1ccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000524776215 406459831 /nfs/dbraw/zinc/45/98/31/406459831.db2.gz DKTZXBUZLOMGTC-LLVKDONJSA-N 1 1 323.418 2.388 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491922967 406778605 /nfs/dbraw/zinc/77/86/05/406778605.db2.gz BLGZXGYKRNAYNM-PYEVWLCESA-N 1 1 321.352 2.205 20 5 DEBDMO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000555312661 406840441 /nfs/dbraw/zinc/84/04/41/406840441.db2.gz SJDFANPZIQAFHI-HEHGZKQESA-N 1 1 319.405 2.497 20 5 DEBDMO Cc1c(CC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000129172897 196025721 /nfs/dbraw/zinc/02/57/21/196025721.db2.gz LGTQFUMYPHBFDM-SMDDNHRTSA-N 1 1 317.389 2.187 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000134378982 196383986 /nfs/dbraw/zinc/38/39/86/196383986.db2.gz JNZSHMSVLRDBBZ-CQSZACIVSA-N 1 1 323.393 2.181 20 5 DEBDMO COCCCC[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000418143191 229240835 /nfs/dbraw/zinc/24/08/35/229240835.db2.gz ZXCAXZMWFSOSJF-UHFFFAOYSA-N 1 1 312.366 2.470 20 5 DEBDMO C[C@@H](O)C[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289819080 274266796 /nfs/dbraw/zinc/26/67/96/274266796.db2.gz OBCIFJDZRRHFHT-MRVPVSSYSA-N 1 1 323.176 2.077 20 5 DEBDMO C[C@@H](O)C[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289819080 274266800 /nfs/dbraw/zinc/26/68/00/274266800.db2.gz OBCIFJDZRRHFHT-MRVPVSSYSA-N 1 1 323.176 2.077 20 5 DEBDMO C[C@H]1[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000352361019 425045569 /nfs/dbraw/zinc/04/55/69/425045569.db2.gz PQYDIPSUKFENCH-AAEUAGOBSA-N 1 1 300.362 3.038 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000334042446 269010138 /nfs/dbraw/zinc/01/01/38/269010138.db2.gz NATUQXBHOONLPN-JOYOIKCWSA-N 1 1 311.769 2.461 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000377541797 269096556 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DEBDMO CO[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451628324 536646648 /nfs/dbraw/zinc/64/66/48/536646648.db2.gz AYEFDWKZOOKTLZ-CHWSQXEVSA-N 1 1 318.333 2.302 20 5 DEBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000246809913 536748254 /nfs/dbraw/zinc/74/82/54/536748254.db2.gz RAMRGGPTMNCOLY-SMDDNHRTSA-N 1 1 324.377 2.205 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(CN3CCC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC001330578157 1149201262 /nfs/dbraw/zinc/20/12/62/1149201262.db2.gz LOYMPYFIRUQHNC-ZDUSSCGKSA-N 1 1 316.361 2.406 20 5 DEBDMO COc1ccc(C[NH2+]Cc2ccnc(OC)c2F)cc1[N+](=O)[O-] ZINC000892712010 625454206 /nfs/dbraw/zinc/45/42/06/625454206.db2.gz AXINDFRMCSHVGS-UHFFFAOYSA-N 1 1 321.308 2.436 20 5 DEBDMO O=[N+]([O-])c1cc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)cs1 ZINC000933063483 624055205 /nfs/dbraw/zinc/05/52/05/624055205.db2.gz NSUDZBMGDLEKLB-LBPRGKRZSA-N 1 1 312.391 2.162 20 5 DEBDMO O=[N+]([O-])c1cc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)cs1 ZINC000933063482 624055225 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306.366 2.048 20 5 DEBDMO CCO[C@@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)CN(C)C ZINC000922753581 636375451 /nfs/dbraw/zinc/37/54/51/636375451.db2.gz QOPGLYITCXBCKK-AWEZNQCLSA-N 1 1 309.410 2.268 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000894292458 636723882 /nfs/dbraw/zinc/72/38/82/636723882.db2.gz DAGYIERTGWQGAS-GXTWGEPZSA-N 1 1 322.361 2.452 20 5 DEBDMO COc1c(O)ccc(CN[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000894533678 637094794 /nfs/dbraw/zinc/09/47/94/637094794.db2.gz HSTLFWBUSWJSOX-NSHDSACASA-N 1 1 311.382 2.127 20 5 DEBDMO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000894639663 637145167 /nfs/dbraw/zinc/14/51/67/637145167.db2.gz QVOBVADKZPMSTL-ZDUSSCGKSA-N 1 1 301.350 2.015 20 5 DEBDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000894672042 637156010 /nfs/dbraw/zinc/15/60/10/637156010.db2.gz SDRBPXCLOOXDJO-HNNXBMFYSA-N 1 1 310.350 2.167 20 5 DEBDMO COc1c(O)ccc(C[NH2+]Cc2cnccc2C)c1[N+](=O)[O-] ZINC000894729822 637181649 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2.290 20 5 DEBDMO CCOCCOCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000896482117 638544553 /nfs/dbraw/zinc/54/45/53/638544553.db2.gz UFEGGABGMXMDMU-UHFFFAOYSA-N 1 1 305.334 2.030 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896515339 638560227 /nfs/dbraw/zinc/56/02/27/638560227.db2.gz ALCKVQJGRJHZCT-ZDUSSCGKSA-N 1 1 309.341 2.399 20 5 DEBDMO COc1ccc([C@H]2CC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000749883727 638689289 /nfs/dbraw/zinc/68/92/89/638689289.db2.gz DRMZJQMPGKBBCR-ZDUSSCGKSA-N 1 1 302.334 2.247 20 5 DEBDMO COc1ccc([C@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000749883727 638689295 /nfs/dbraw/zinc/68/92/95/638689295.db2.gz DRMZJQMPGKBBCR-ZDUSSCGKSA-N 1 1 302.334 2.247 20 5 DEBDMO Cc1nn(C[N@@H+]2CCCOC(C)(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749953906 638697502 /nfs/dbraw/zinc/69/75/02/638697502.db2.gz GTARUYUDGVAULI-UHFFFAOYSA-N 1 1 319.365 2.106 20 5 DEBDMO Cc1nn(C[N@H+]2CCCOC(C)(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749953906 638697507 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C[C@@H]1COC2(CCC2)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852444218 652402989 /nfs/dbraw/zinc/40/29/89/652402989.db2.gz OSLRBZOCVUSBAQ-IUODEOHRSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@@H]1COC2(CCC2)C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852444218 652402991 /nfs/dbraw/zinc/40/29/91/652402991.db2.gz OSLRBZOCVUSBAQ-IUODEOHRSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000852463283 652404603 /nfs/dbraw/zinc/40/46/03/652404603.db2.gz VDQKWXBIQRTEPH-UHOFOFEASA-N 1 1 308.378 2.111 20 5 DEBDMO CCOCC[N@H+](CC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853495728 652555417 /nfs/dbraw/zinc/55/54/17/652555417.db2.gz XVIQAYDQHXIDQR-UHFFFAOYSA-N 1 1 319.365 2.169 20 5 DEBDMO CCOCC[N@@H+](CC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853495728 652555419 /nfs/dbraw/zinc/55/54/19/652555419.db2.gz XVIQAYDQHXIDQR-UHFFFAOYSA-N 1 1 319.365 2.169 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@H]3COC[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000853591886 652575314 /nfs/dbraw/zinc/57/53/14/652575314.db2.gz YHOOFECJBMPNAG-QWHCGFSZSA-N 1 1 316.361 2.179 20 5 DEBDMO Cc1noc(COC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000853898263 652618655 /nfs/dbraw/zinc/61/86/55/652618655.db2.gz AFLMGUUJVFMNCD-KKZNHRDASA-N 1 1 311.338 2.196 20 5 DEBDMO CC(C)C[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000045722067 683905371 /nfs/dbraw/zinc/90/53/71/683905371.db2.gz PKIQYUAKHPQWAZ-UHFFFAOYSA-N 1 1 317.345 2.269 20 5 DEBDMO CC(C)C[N@@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000045722067 683905375 /nfs/dbraw/zinc/90/53/75/683905375.db2.gz PKIQYUAKHPQWAZ-UHFFFAOYSA-N 1 1 317.345 2.269 20 5 DEBDMO COCC[N@@H+]1[C@H](C)CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000093478877 684049355 /nfs/dbraw/zinc/04/93/55/684049355.db2.gz ICXXRFKXTBEOLU-GASCZTMLSA-N 1 1 321.421 2.444 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000160416364 684327131 /nfs/dbraw/zinc/32/71/31/684327131.db2.gz VVJNIANVOAYCDA-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000861341086 686048044 /nfs/dbraw/zinc/04/80/44/686048044.db2.gz NDNOIWVGINOXRB-BBRMVZONSA-N 1 1 322.361 2.169 20 5 DEBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000861343876 686049403 /nfs/dbraw/zinc/04/94/03/686049403.db2.gz KIBLMDPTCIQONG-HOCLYGCPSA-N 1 1 322.361 2.169 20 5 DEBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000861343875 686049537 /nfs/dbraw/zinc/04/95/37/686049537.db2.gz KIBLMDPTCIQONG-GOEBONIOSA-N 1 1 322.361 2.169 20 5 DEBDMO C[C@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929788502 694028723 /nfs/dbraw/zinc/02/87/23/694028723.db2.gz NQEMDLDYCHEPII-LBPRGKRZSA-N 1 1 315.167 2.314 20 5 DEBDMO C[C@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929788502 694028726 /nfs/dbraw/zinc/02/87/26/694028726.db2.gz NQEMDLDYCHEPII-LBPRGKRZSA-N 1 1 315.167 2.314 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865047899 686924810 /nfs/dbraw/zinc/92/48/10/686924810.db2.gz CJLDUBDIEPCCIG-LBPRGKRZSA-N 1 1 323.368 2.125 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000866153357 687468095 /nfs/dbraw/zinc/46/80/95/687468095.db2.gz OIJMNYVSTRSMBU-RISCZKNCSA-N 1 1 304.350 2.153 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000866155141 687469275 /nfs/dbraw/zinc/46/92/75/687469275.db2.gz YZCYHIRQVXIOQE-QMTHXVAHSA-N 1 1 322.340 2.292 20 5 DEBDMO CCCN(CC1CC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867944788 687844798 /nfs/dbraw/zinc/84/47/98/687844798.db2.gz IQYKKSWVZFMNKJ-INIZCTEOSA-N 1 1 305.378 2.417 20 5 DEBDMO CC(C)[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867965448 687853805 /nfs/dbraw/zinc/85/38/05/687853805.db2.gz FFGUUZLTTWTWBW-MLGOLLRUSA-N 1 1 305.378 2.273 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000930366315 694146339 /nfs/dbraw/zinc/14/63/39/694146339.db2.gz CLJNMRHSSSKWFM-DAXOMENPSA-N 1 1 317.389 2.156 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000930365907 694146723 /nfs/dbraw/zinc/14/67/23/694146723.db2.gz AIFSNEUUAJXRPV-GFCCVEGCSA-N 1 1 323.368 2.125 20 5 DEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[S@@](=O)C(F)(F)F ZINC000930438840 694163028 /nfs/dbraw/zinc/16/30/28/694163028.db2.gz DDCMIASPBVWHKO-OAQYLSRUSA-N 1 1 324.324 2.338 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[S@@](=O)C(F)(F)F ZINC000930438840 694163031 /nfs/dbraw/zinc/16/30/31/694163031.db2.gz DDCMIASPBVWHKO-OAQYLSRUSA-N 1 1 324.324 2.338 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000930493065 694174603 /nfs/dbraw/zinc/17/46/03/694174603.db2.gz LMQRSZHOKRPTKY-OAHLLOKOSA-N 1 1 305.378 2.126 20 5 DEBDMO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC000870896968 688681384 /nfs/dbraw/zinc/68/13/84/688681384.db2.gz VWAZWUAISIJRDX-UEKVPHQBSA-N 1 1 323.418 2.121 20 5 DEBDMO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047204 688919185 /nfs/dbraw/zinc/91/91/85/688919185.db2.gz CNUUYENPFMRGHE-UWVGGRQHSA-N 1 1 307.325 2.148 20 5 DEBDMO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000872051978 688919838 /nfs/dbraw/zinc/91/98/38/688919838.db2.gz LUTUCRQXXZVEQV-SUNKGSAMSA-N 1 1 311.357 2.104 20 5 DEBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccoc1 ZINC001031546272 688946896 /nfs/dbraw/zinc/94/68/96/688946896.db2.gz GHGFHTTXIBHOIA-UHFFFAOYSA-N 1 1 315.329 2.050 20 5 DEBDMO COCCCN1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873037301 689145891 /nfs/dbraw/zinc/14/58/91/689145891.db2.gz STLIKBMMVIVXCH-UHFFFAOYSA-N 1 1 321.421 2.494 20 5 DEBDMO CC1(C)CC[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000930882047 694262112 /nfs/dbraw/zinc/26/21/12/694262112.db2.gz HHONJVJGBXDNOD-UHFFFAOYSA-N 1 1 306.366 2.448 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000931058023 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312.757 2.462 20 5 DEBDMO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@H+](CC[N+](=O)[O-])C1 ZINC000931376622 694381606 /nfs/dbraw/zinc/38/16/06/694381606.db2.gz CKPGUKZCDGEKFJ-GFCCVEGCSA-N 1 1 301.387 2.032 20 5 DEBDMO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931376622 694381609 /nfs/dbraw/zinc/38/16/09/694381609.db2.gz CKPGUKZCDGEKFJ-GFCCVEGCSA-N 1 1 301.387 2.032 20 5 DEBDMO CO[C@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000879323719 690620071 /nfs/dbraw/zinc/62/00/71/690620071.db2.gz VMRUBASPXOGBBV-OCCSQVGLSA-N 1 1 321.377 2.341 20 5 DEBDMO CO[C@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000879323719 690620073 /nfs/dbraw/zinc/62/00/73/690620073.db2.gz VMRUBASPXOGBBV-OCCSQVGLSA-N 1 1 321.377 2.341 20 5 DEBDMO Cc1c(C[N@@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)cccc1[N+](=O)[O-] ZINC000879492490 690653798 /nfs/dbraw/zinc/65/37/98/690653798.db2.gz QEZQCQKTNDAILL-MRXNPFEDSA-N 1 1 317.389 2.379 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000879537311 690665161 /nfs/dbraw/zinc/66/51/61/690665161.db2.gz XQHILNMMRHEGOL-LBPRGKRZSA-N 1 1 305.378 2.426 20 5 DEBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000879707646 690711874 /nfs/dbraw/zinc/71/18/74/690711874.db2.gz YIVOATCPGISZRC-UHFFFAOYSA-N 1 1 324.377 2.101 20 5 DEBDMO Cc1cncc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000879748339 690720800 /nfs/dbraw/zinc/72/08/00/690720800.db2.gz BVNFIAXBNHGRBX-CQSZACIVSA-N 1 1 301.350 2.332 20 5 DEBDMO CC(C)(O)[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000879960586 690767599 /nfs/dbraw/zinc/76/75/99/690767599.db2.gz INILSONPIYEFAN-ZDUSSCGKSA-N 1 1 308.378 2.457 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000880140350 690818217 /nfs/dbraw/zinc/81/82/17/690818217.db2.gz BFUXIYCGHODKSZ-KGLIPLIRSA-N 1 1 320.349 2.172 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC2(CC1)COCCO2 ZINC000880548857 690924109 /nfs/dbraw/zinc/92/41/09/690924109.db2.gz FWOOSIYMIIPPMC-UHFFFAOYSA-N 1 1 310.325 2.115 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H](C3CCOCC3)C2)c1 ZINC000880576320 690931231 /nfs/dbraw/zinc/93/12/31/690931231.db2.gz VPJUGQCDRWWNIK-HNNXBMFYSA-N 1 1 322.409 2.320 20 5 DEBDMO COCC[N@@H+](C)CCCNc1cccc([N+](=O)[O-])c1C(C)=O ZINC000881804492 691164998 /nfs/dbraw/zinc/16/49/98/691164998.db2.gz HVUIJHYXWWYPEG-UHFFFAOYSA-N 1 1 309.366 2.178 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931609207 694439342 /nfs/dbraw/zinc/43/93/42/694439342.db2.gz DPROGLUHNBGHKB-SNVBAGLBSA-N 1 1 310.329 2.340 20 5 DEBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000882701058 691342665 /nfs/dbraw/zinc/34/26/65/691342665.db2.gz XJNOTWBQHCZLLI-QWHCGFSZSA-N 1 1 303.362 2.328 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886832320 692203631 /nfs/dbraw/zinc/20/36/31/692203631.db2.gz GGIGOXUDYVEIMI-BBRMVZONSA-N 1 1 306.362 2.475 20 5 DEBDMO CC[N@@H+](CC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000887402705 692355793 /nfs/dbraw/zinc/35/57/93/692355793.db2.gz HUCPWBWAXJZNBP-GFCCVEGCSA-N 1 1 305.378 2.299 20 5 DEBDMO CCc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000887931790 692483724 /nfs/dbraw/zinc/48/37/24/692483724.db2.gz INTHCGTYFQLRMK-WMLDXEAASA-N 1 1 317.389 2.181 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000896519652 693003668 /nfs/dbraw/zinc/00/36/68/693003668.db2.gz WJLIIEQYBZCMJP-ZDUSSCGKSA-N 1 1 321.377 2.269 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000932201204 694572918 /nfs/dbraw/zinc/57/29/18/694572918.db2.gz SXNDUTAZMGXPLV-LBPRGKRZSA-N 1 1 321.406 2.203 20 5 DEBDMO CCOc1ccc([C@@H](C)NC[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000925783326 693341084 /nfs/dbraw/zinc/34/10/84/693341084.db2.gz FDZIUIZQRHTZLI-BZPMIXESSA-N 1 1 307.394 2.500 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001336022864 1150594248 /nfs/dbraw/zinc/59/42/48/1150594248.db2.gz LPVJMHYICIKNGN-OAHLLOKOSA-N 1 1 320.393 2.049 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001472449860 1151875093 /nfs/dbraw/zinc/87/50/93/1151875093.db2.gz CVXSDAUNEOKTLC-OAGGEKHMSA-N 1 1 317.389 2.251 20 5 DEBDMO C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC001357776918 1152337394 /nfs/dbraw/zinc/33/73/94/1152337394.db2.gz QAPWUGUNZOTGNG-SWLSCSKDSA-N 1 1 320.393 2.439 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(/C=C\N(C)C)c([N+](=O)[O-])cn1 ZINC001164634079 719232151 /nfs/dbraw/zinc/23/21/51/719232151.db2.gz FNDVQKPHIAZHCB-ZSBJFDRYSA-N 1 1 319.409 2.051 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001136452586 790337421 /nfs/dbraw/zinc/33/74/21/790337421.db2.gz CYVDFKDOZUEZOC-GFCCVEGCSA-N 1 1 320.393 2.027 20 5 DEBDMO C[NH+](C)/C=C/c1cc(N2CC[C@H]3OCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001167216330 776776136 /nfs/dbraw/zinc/77/61/36/776776136.db2.gz OZBBVVISGXKRPS-WBSOJBIMSA-N 1 1 318.377 2.137 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)[C@H](C)C1 ZINC001140510040 777248902 /nfs/dbraw/zinc/24/89/02/777248902.db2.gz IDEWUJFKVDICHH-LLVKDONJSA-N 1 1 309.341 2.209 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)[C@H](C)C1 ZINC001140510040 777248907 /nfs/dbraw/zinc/24/89/07/777248907.db2.gz IDEWUJFKVDICHH-LLVKDONJSA-N 1 1 309.341 2.209 20 5 DEBDMO COc1nc(NCCC[N@H+]2CCCC[C@@H]2C)nc(C)c1[N+](=O)[O-] ZINC001167751002 778412982 /nfs/dbraw/zinc/41/29/82/778412982.db2.gz GRALKJYWRASPRY-NSHDSACASA-N 1 1 323.397 2.378 20 5 DEBDMO CCOC(=O)[C@H](CC(C)(C)F)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168985629 784986270 /nfs/dbraw/zinc/98/62/70/784986270.db2.gz UJJXZVSHCDOHPD-TUAOUCFPSA-N 1 1 304.362 2.091 20 5 DEBDMO CN1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC001169028486 785008347 /nfs/dbraw/zinc/00/83/47/785008347.db2.gz SMPFDJUEEBJRNQ-USXIJHARSA-N 1 1 303.406 2.421 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)C1 ZINC001169035770 785011992 /nfs/dbraw/zinc/01/19/92/785011992.db2.gz LQXUEQGTXCPITR-XSLAGTTESA-N 1 1 315.417 2.391 20 5 DEBDMO COC(=O)c1cccc2c1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169048431 785021820 /nfs/dbraw/zinc/02/18/20/785021820.db2.gz UZJZQJJUVGCJEC-GXTWGEPZSA-N 1 1 318.373 2.277 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2cncnc2)c([N+](=O)[O-])c1 ZINC001170355444 786916576 /nfs/dbraw/zinc/91/65/76/786916576.db2.gz FNTFCCICUFPPIO-GFCCVEGCSA-N 1 1 316.361 2.456 20 5 DEBDMO COC(=O)CC1C[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344880 786928825 /nfs/dbraw/zinc/92/88/25/786928825.db2.gz FDKFFGMXCPWMMQ-NSHDSACASA-N 1 1 322.361 2.029 20 5 DEBDMO CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CN(C)C1 ZINC001170351223 786932214 /nfs/dbraw/zinc/93/22/14/786932214.db2.gz BIYLYCPDDKGCJU-GFCCVEGCSA-N 1 1 307.394 2.170 20 5 DEBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H](CF)C2)nc1-c1ccccn1 ZINC001333808950 1150094450 /nfs/dbraw/zinc/09/44/50/1150094450.db2.gz UMHABHZVWJSERQ-GFCCVEGCSA-N 1 1 319.340 2.492 20 5 DEBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@H](CF)C2)nc1-c1ccccn1 ZINC001333808950 1150094454 /nfs/dbraw/zinc/09/44/54/1150094454.db2.gz UMHABHZVWJSERQ-GFCCVEGCSA-N 1 1 319.340 2.492 20 5 DEBDMO CN1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172908836 793525166 /nfs/dbraw/zinc/52/51/66/793525166.db2.gz OUKAVAULNXPANN-MRXNPFEDSA-N 1 1 303.406 2.480 20 5 DEBDMO CN1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172914283 793530300 /nfs/dbraw/zinc/53/03/00/793530300.db2.gz GJSLHLLRILDZCB-OAHLLOKOSA-N 1 1 317.389 2.006 20 5 DEBDMO CN1CC[C@H]([N@@H+](C)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172918104 793531679 /nfs/dbraw/zinc/53/16/79/793531679.db2.gz XXVZTBYDNKBCFQ-WBVHZDCISA-N 1 1 303.406 2.478 20 5 DEBDMO COC[C@H]1COCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912696 793544924 /nfs/dbraw/zinc/54/49/24/793544924.db2.gz LIWPVROSLBNRDU-RDJZCZTQSA-N 1 1 320.389 2.189 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ncccn2)c1F ZINC001173175900 793618694 /nfs/dbraw/zinc/61/86/94/793618694.db2.gz UTIDYKKEYFPKEM-JTQLQIEISA-N 1 1 320.324 2.253 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)[C@H]2CCOC2)c1F ZINC001173189287 793623951 /nfs/dbraw/zinc/62/39/51/793623951.db2.gz KCSISJBPPHEWJF-MNOVXSKESA-N 1 1 312.341 2.394 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001173229865 793644590 /nfs/dbraw/zinc/64/45/90/793644590.db2.gz VWUINDUVCWHOCN-WCQYABFASA-N 1 1 314.332 2.475 20 5 DEBDMO CC[N@@H+](CCN1CCOCC1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231782 793645008 /nfs/dbraw/zinc/64/50/08/793645008.db2.gz CZUSOSSJMUCSLL-OAHLLOKOSA-N 1 1 321.421 2.180 20 5 DEBDMO COc1cc2c(cc1OC)[C@H](C1CC1)[N@H+](CC[N+](=O)[O-])CC2 ZINC001176068591 794352985 /nfs/dbraw/zinc/35/29/85/794352985.db2.gz BEFRUCJQROUPAJ-INIZCTEOSA-N 1 1 306.362 2.290 20 5 DEBDMO COc1cc2c(cc1OC)[C@H](C1CC1)[N@@H+](CC[N+](=O)[O-])CC2 ZINC001176068591 794352994 /nfs/dbraw/zinc/35/29/94/794352994.db2.gz BEFRUCJQROUPAJ-INIZCTEOSA-N 1 1 306.362 2.290 20 5 DEBDMO CC(C)c1ccc(CNC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC001177833782 794761014 /nfs/dbraw/zinc/76/10/14/794761014.db2.gz CWGUXRUYPLSBOX-OAHLLOKOSA-N 1 1 320.437 2.054 20 5 DEBDMO CC(C)c1ccc(CNC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC001177833782 794761020 /nfs/dbraw/zinc/76/10/20/794761020.db2.gz CWGUXRUYPLSBOX-OAHLLOKOSA-N 1 1 320.437 2.054 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc(C)n1C ZINC001116740765 794982986 /nfs/dbraw/zinc/98/29/86/794982986.db2.gz GCOAIDPDGAQORC-XFFZJAGNSA-N 1 1 301.350 2.225 20 5 DEBDMO C[C@@H]1[C@H](O)CCC[N@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC001119338771 795291061 /nfs/dbraw/zinc/29/10/61/795291061.db2.gz VYHYIIPKXMZEMR-MLGOLLRUSA-N 1 1 316.361 2.261 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc([N+](=O)[O-])c1 ZINC001123454433 795915727 /nfs/dbraw/zinc/91/57/27/795915727.db2.gz YBDQVPKHAWBEGS-WFASDCNBSA-N 1 1 318.377 2.461 20 5 DEBDMO CC(C)Oc1nc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001186895500 796455577 /nfs/dbraw/zinc/45/55/77/796455577.db2.gz DZTKJRVRKBFLJY-OLZOCXBDSA-N 1 1 320.393 2.165 20 5 DEBDMO COc1ccc(C[N@@H+]2CC(C)(C)[C@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC001195084679 797829484 /nfs/dbraw/zinc/82/94/84/797829484.db2.gz WKVXJXVYRZLGLW-GXTWGEPZSA-N 1 1 306.362 2.460 20 5 DEBDMO COc1ccc(C[N@H+]2CC(C)(C)[C@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC001195084679 797829489 /nfs/dbraw/zinc/82/94/89/797829489.db2.gz WKVXJXVYRZLGLW-GXTWGEPZSA-N 1 1 306.362 2.460 20 5 DEBDMO Cc1[nH]c(CNC(=O)CCc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001156214906 797951284 /nfs/dbraw/zinc/95/12/84/797951284.db2.gz UBBHELJRXIUJEW-UHFFFAOYSA-N 1 1 302.334 2.184 20 5 DEBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001157002268 798125933 /nfs/dbraw/zinc/12/59/33/798125933.db2.gz WDRXZGOSLYUTAY-ZDUSSCGKSA-N 1 1 315.377 2.457 20 5 DEBDMO Cc1noc(CN2CCC(c3c[nH+]cn3C)CC2)c1[N+](=O)[O-] ZINC001198768527 798393226 /nfs/dbraw/zinc/39/32/26/798393226.db2.gz IHUJHDLJTNEZDR-UHFFFAOYSA-N 1 1 305.338 2.004 20 5 DEBDMO N[C@@H](CCC[NH3+])Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001159788464 798608155 /nfs/dbraw/zinc/60/81/55/798608155.db2.gz IOCKKTRFUBINFU-CYBMUJFWSA-N 1 1 309.757 2.232 20 5 DEBDMO C[N@H+]1CCC[C@](C)(Nc2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001162341853 799067077 /nfs/dbraw/zinc/06/70/77/799067077.db2.gz PLRFIRCZMLCTNM-HNNXBMFYSA-N 1 1 301.350 2.434 20 5 DEBDMO CC[N@H+]1CCCN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001163771339 799428155 /nfs/dbraw/zinc/42/81/55/799428155.db2.gz OUBSCLYOTCMYNS-UHFFFAOYSA-N 1 1 301.350 2.070 20 5 DEBDMO CCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000932980327 799988772 /nfs/dbraw/zinc/98/87/72/799988772.db2.gz WBJHCIWVNMCVDI-AWEZNQCLSA-N 1 1 308.334 2.072 20 5 DEBDMO CCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000932980327 799988777 /nfs/dbraw/zinc/98/87/77/799988777.db2.gz WBJHCIWVNMCVDI-AWEZNQCLSA-N 1 1 308.334 2.072 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933758448 800179463 /nfs/dbraw/zinc/17/94/63/800179463.db2.gz BCASQXLLRZZGLJ-FFSVYQOJSA-N 1 1 303.362 2.243 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934118117 800266855 /nfs/dbraw/zinc/26/68/55/800266855.db2.gz KASACIXPRQNKGL-DDTOSNHZSA-N 1 1 307.350 2.031 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934118117 800266861 /nfs/dbraw/zinc/26/68/61/800266861.db2.gz KASACIXPRQNKGL-DDTOSNHZSA-N 1 1 307.350 2.031 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000934129170 800270914 /nfs/dbraw/zinc/27/09/14/800270914.db2.gz STKBLDISPYQIHP-CHWSQXEVSA-N 1 1 318.333 2.254 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000934129170 800270917 /nfs/dbraw/zinc/27/09/17/800270917.db2.gz STKBLDISPYQIHP-CHWSQXEVSA-N 1 1 318.333 2.254 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934265134 800303276 /nfs/dbraw/zinc/30/32/76/800303276.db2.gz XNSMRWSOPQBKBA-COXVUDFISA-N 1 1 319.405 2.187 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934265134 800303283 /nfs/dbraw/zinc/30/32/83/800303283.db2.gz XNSMRWSOPQBKBA-COXVUDFISA-N 1 1 319.405 2.187 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934265134 800303285 /nfs/dbraw/zinc/30/32/85/800303285.db2.gz XNSMRWSOPQBKBA-COXVUDFISA-N 1 1 319.405 2.187 20 5 DEBDMO C[C@@H]1CSCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934302600 800317139 /nfs/dbraw/zinc/31/71/39/800317139.db2.gz WBRQJTZNDREFLI-LLVKDONJSA-N 1 1 309.391 2.361 20 5 DEBDMO C[C@@H]1CSCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934302600 800317145 /nfs/dbraw/zinc/31/71/45/800317145.db2.gz WBRQJTZNDREFLI-LLVKDONJSA-N 1 1 309.391 2.361 20 5 DEBDMO CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205229934 800324011 /nfs/dbraw/zinc/32/40/11/800324011.db2.gz JBMPVWCKNHIVQB-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000935252789 800608833 /nfs/dbraw/zinc/60/88/33/800608833.db2.gz TXWZKSDQIVDVLA-HZPDHXFCSA-N 1 1 315.373 2.076 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000935252787 800609034 /nfs/dbraw/zinc/60/90/34/800609034.db2.gz TXWZKSDQIVDVLA-HOTGVXAUSA-N 1 1 315.373 2.076 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001207026038 800661937 /nfs/dbraw/zinc/66/19/37/800661937.db2.gz MNMNAZGCLHZJLE-QPAPFBILSA-N 1 1 302.330 2.103 20 5 DEBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCC[N@@H+]1CC=CCC1 ZINC000935749937 800756784 /nfs/dbraw/zinc/75/67/84/800756784.db2.gz VDXUFZWFVWDPJB-UHFFFAOYSA-N 1 1 321.352 2.045 20 5 DEBDMO COC(=O)c1c(O[C@H]2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC001229045857 801213732 /nfs/dbraw/zinc/21/37/32/801213732.db2.gz OQUSJXYNZHBMNW-NSHDSACASA-N 1 1 308.334 2.245 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CCOc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229346249 801261006 /nfs/dbraw/zinc/26/10/06/801261006.db2.gz LVBOJIKOHRBFKL-CQSZACIVSA-N 1 1 317.345 2.243 20 5 DEBDMO C[C@H]1C[NH2+]CCC[C@@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001217989468 802128297 /nfs/dbraw/zinc/12/82/97/802128297.db2.gz QTMYSNAUETWRRL-ZANVPECISA-N 1 1 318.333 2.011 20 5 DEBDMO O=[N+]([O-])c1cccc(OC2CC[NH+](CCF)CC2)c1[N+](=O)[O-] ZINC001233574814 802155978 /nfs/dbraw/zinc/15/59/78/802155978.db2.gz LFNHNIGDGFXTIT-UHFFFAOYSA-N 1 1 313.285 2.316 20 5 DEBDMO C[N@@H+]1CC[C@H](Oc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001225608210 802990343 /nfs/dbraw/zinc/99/03/43/802990343.db2.gz XHYMPIFKPICJBM-QMMMGPOBSA-N 1 1 301.140 2.440 20 5 DEBDMO C[N@H+]1CC[C@H](Oc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001225608210 802990346 /nfs/dbraw/zinc/99/03/46/802990346.db2.gz XHYMPIFKPICJBM-QMMMGPOBSA-N 1 1 301.140 2.440 20 5 DEBDMO C[N@@H+]1CC[C@@H](Oc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001225608208 802990437 /nfs/dbraw/zinc/99/04/37/802990437.db2.gz XHYMPIFKPICJBM-MRVPVSSYSA-N 1 1 301.140 2.440 20 5 DEBDMO C[N@H+]1CC[C@@H](Oc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001225608208 802990443 /nfs/dbraw/zinc/99/04/43/802990443.db2.gz XHYMPIFKPICJBM-MRVPVSSYSA-N 1 1 301.140 2.440 20 5 DEBDMO Cc1ccc(N2CCC(Oc3ncc([N+](=O)[O-])cn3)CC2)[nH+]c1 ZINC001226734584 803150553 /nfs/dbraw/zinc/15/05/53/803150553.db2.gz ZKRXSKGPVKVWIV-UHFFFAOYSA-N 1 1 315.333 2.136 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001227043208 803191397 /nfs/dbraw/zinc/19/13/97/803191397.db2.gz ACHSBUUYYJRTHL-GFCCVEGCSA-N 1 1 308.334 2.245 20 5 DEBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)cc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001228255805 803335703 /nfs/dbraw/zinc/33/57/03/803335703.db2.gz MBINFOQYDNNROW-CUOATXAZSA-N 1 1 310.737 2.431 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)cc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001228255805 803335706 /nfs/dbraw/zinc/33/57/06/803335706.db2.gz MBINFOQYDNNROW-CUOATXAZSA-N 1 1 310.737 2.431 20 5 DEBDMO CC(C)[N@@H+]1CCC[C@@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602441 803380035 /nfs/dbraw/zinc/38/00/35/803380035.db2.gz BKCCQLGTHFLWPW-LLVKDONJSA-N 1 1 322.365 2.219 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602441 803380038 /nfs/dbraw/zinc/38/00/38/803380038.db2.gz BKCCQLGTHFLWPW-LLVKDONJSA-N 1 1 322.365 2.219 20 5 DEBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(F)cc(F)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228610938 803381186 /nfs/dbraw/zinc/38/11/86/803381186.db2.gz BPOVZVMVMNLERS-XXILOJSOSA-N 1 1 312.272 2.056 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(F)cc(F)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228610938 803381193 /nfs/dbraw/zinc/38/11/93/803381193.db2.gz BPOVZVMVMNLERS-XXILOJSOSA-N 1 1 312.272 2.056 20 5 DEBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001331289965 1149412316 /nfs/dbraw/zinc/41/23/16/1149412316.db2.gz UHFMIGKMIKWVAX-NWDGAFQWSA-N 1 1 322.340 2.482 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001343370673 1150737989 /nfs/dbraw/zinc/73/79/89/1150737989.db2.gz DEEMUGCRFMQZRT-AAEUAGOBSA-N 1 1 319.361 2.420 20 5 DEBDMO COc1ccc(OC(=O)C23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC001522825238 1069477712 /nfs/dbraw/zinc/47/77/12/1069477712.db2.gz ZWHXYUSRUSRJGI-UHFFFAOYSA-N 1 1 306.318 2.137 20 5 DEBDMO O=C(Oc1cccc([N+](=O)[O-])c1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001525286386 1070115601 /nfs/dbraw/zinc/11/56/01/1070115601.db2.gz AXFDJOWWBGDBJP-UHFFFAOYSA-N 1 1 310.269 2.395 20 5 DEBDMO C[C@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC001603909872 1070145797 /nfs/dbraw/zinc/14/57/97/1070145797.db2.gz FJEUFWIINARWED-QWRGUYRKSA-N 1 1 316.365 2.253 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001465899234 1059383315 /nfs/dbraw/zinc/38/33/15/1059383315.db2.gz ABWJEOPIEHOHDU-BXKDBHETSA-N 1 1 323.780 2.461 20 5 DEBDMO Cc1noc(C[N@@H+]2CCC[C@]2(CO)c2ccccc2)c1[N+](=O)[O-] ZINC001473891186 1060754711 /nfs/dbraw/zinc/75/47/11/1060754711.db2.gz CEQWZPFHOXPUCL-INIZCTEOSA-N 1 1 317.345 2.375 20 5 DEBDMO Cc1noc(C[N@H+]2CCC[C@]2(CO)c2ccccc2)c1[N+](=O)[O-] ZINC001473891186 1060754727 /nfs/dbraw/zinc/75/47/27/1060754727.db2.gz CEQWZPFHOXPUCL-INIZCTEOSA-N 1 1 317.345 2.375 20 5 DEBDMO CCOc1cc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001612561317 1078112248 /nfs/dbraw/zinc/11/22/48/1078112248.db2.gz QWXBSKMUBNGTOX-OLZOCXBDSA-N 1 1 305.378 2.381 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001625594939 1078248377 /nfs/dbraw/zinc/24/83/77/1078248377.db2.gz QSQZBNGANYSWND-YPMHNXCESA-N 1 1 320.393 2.148 20 5 DEBDMO CC(C)(F)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001499143454 1067116464 /nfs/dbraw/zinc/11/64/64/1067116464.db2.gz PBWOCXFVGVXWKZ-UHFFFAOYSA-N 1 1 315.370 2.143 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001643256780 1078792277 /nfs/dbraw/zinc/79/22/77/1078792277.db2.gz YHOJGGHBCIMINB-XHDPSFHLSA-N 1 1 321.352 2.209 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC001643327146 1078795373 /nfs/dbraw/zinc/79/53/73/1078795373.db2.gz HITWKTQXQPBBKM-SECBINFHSA-N 1 1 307.379 2.130 20 5 DEBDMO Nc1cc(NC[C@H]2CC[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001515908646 1068905733 /nfs/dbraw/zinc/90/57/33/1068905733.db2.gz PIHJRCFXWNSYRH-CYBMUJFWSA-N 1 1 313.361 2.258 20 5 DEBDMO Cc1cc(F)cc(C(=O)NC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC001518486211 1069005391 /nfs/dbraw/zinc/00/53/91/1069005391.db2.gz NURDSODMGPXKMB-GFCCVEGCSA-N 1 1 309.341 2.256 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001518900990 1069021731 /nfs/dbraw/zinc/02/17/31/1069021731.db2.gz UOYCUKDQAYGBSW-DMDPSCGWSA-N 1 1 323.780 2.318 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1C1CCCC1 ZINC001520685582 1069168594 /nfs/dbraw/zinc/16/85/94/1069168594.db2.gz RQASQIRJSPNMEH-GFCCVEGCSA-N 1 1 320.393 2.022 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001646148659 1074349598 /nfs/dbraw/zinc/34/95/98/1074349598.db2.gz SUEOIYZKTYUXKK-UONOGXRCSA-N 1 1 306.362 2.460 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001646148659 1074349605 /nfs/dbraw/zinc/34/96/05/1074349605.db2.gz SUEOIYZKTYUXKK-UONOGXRCSA-N 1 1 306.362 2.460 20 5 DEBDMO C[C@@H]1CCC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001590261576 1076603940 /nfs/dbraw/zinc/60/39/40/1076603940.db2.gz PDFGKEFDSREFBC-LLVKDONJSA-N 1 1 316.365 2.397 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC001608172552 1077602277 /nfs/dbraw/zinc/60/22/77/1077602277.db2.gz RASNJAXUYTWZHI-GFCCVEGCSA-N 1 1 323.418 2.483 20 5 DEBDMO CCOCCOC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC001653164266 1079916318 /nfs/dbraw/zinc/91/63/18/1079916318.db2.gz MVGYNGQKIQETQM-UHFFFAOYSA-N 1 1 309.366 2.007 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC001654027828 1079948622 /nfs/dbraw/zinc/94/86/22/1079948622.db2.gz WAPWEYGLTGSPRN-WUKHSURWSA-N 1 1 303.362 2.161 20 5 DEBDMO Cc1noc(CN2CC[N@@H+](C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001654795231 1079977524 /nfs/dbraw/zinc/97/75/24/1079977524.db2.gz WNRVGVDRYKUZEI-LLVKDONJSA-N 1 1 308.382 2.340 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2cnccn2)C1 ZINC001654912558 1079981783 /nfs/dbraw/zinc/98/17/83/1079981783.db2.gz RTSNTZJQDGOAIH-LBPRGKRZSA-N 1 1 314.345 2.383 20 5 DEBDMO Nc1[nH+]ccc2c1CN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC001655942044 1080026206 /nfs/dbraw/zinc/02/62/06/1080026206.db2.gz BDDCENSXYNLUJZ-UHFFFAOYSA-N 1 1 305.725 2.183 20 5 DEBDMO CCCn1cncc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC001657642273 1080180787 /nfs/dbraw/zinc/18/07/87/1080180787.db2.gz JFTXZHJUPYXJNJ-UHFFFAOYSA-N 1 1 304.350 2.500 20 5 DEBDMO Cc1ccc(O)c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC001658430393 1080206934 /nfs/dbraw/zinc/20/69/34/1080206934.db2.gz HXJGFSMHHSERAL-MRXNPFEDSA-N 1 1 317.345 2.001 20 5 DEBDMO Cc1c(CNc2c[nH+]ccc2-n2ccnn2)cccc1[N+](=O)[O-] ZINC001659161450 1080233048 /nfs/dbraw/zinc/23/30/48/1080233048.db2.gz MACIZDLUUNPUNM-UHFFFAOYSA-N 1 1 310.317 2.491 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H](c3ccccc3)CC2)c1 ZINC001660641168 1080373490 /nfs/dbraw/zinc/37/34/90/1080373490.db2.gz FXUWQWHKAWRUOY-MRXNPFEDSA-N 1 1 316.361 2.255 20 5 DEBDMO CCOCC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001648822161 1082097948 /nfs/dbraw/zinc/09/79/48/1082097948.db2.gz UQZRRDWXVZJVPF-UHFFFAOYSA-N 1 1 303.156 2.483 20 5 DEBDMO CC(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001491302937 1084224042 /nfs/dbraw/zinc/22/40/42/1084224042.db2.gz KOQWTFKANPMSJN-HALDLXJZSA-N 1 1 317.389 2.187 20 5 DEBDMO C[N@H+]1CC[C@@H](Oc2c(O)cc(Br)cc2[N+](=O)[O-])C1 ZINC001234880524 1084226425 /nfs/dbraw/zinc/22/64/25/1084226425.db2.gz DGYMVLVBLUEQJP-MRVPVSSYSA-N 1 1 317.139 2.146 20 5 DEBDMO CC(C)C(=O)NCC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001486501481 1085388197 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2.425 20 5 DEBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591056151 357668063 /nfs/dbraw/zinc/66/80/63/357668063.db2.gz XRNOQFJKVHJELU-ZIAGYGMSSA-N 1 1 308.378 2.457 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2=CCCC2)CC1 ZINC000592084629 357826093 /nfs/dbraw/zinc/82/60/93/357826093.db2.gz WFWMZADFSPBCBP-UHFFFAOYSA-N 1 1 315.373 2.463 20 5 DEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593063169 357999030 /nfs/dbraw/zinc/99/90/30/357999030.db2.gz QZWHLOBZHHLIGC-CHWSQXEVSA-N 1 1 321.377 2.423 20 5 DEBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000593030155 357991971 /nfs/dbraw/zinc/99/19/71/357991971.db2.gz JGOIOQOEFYTBPQ-ZIAGYGMSSA-N 1 1 321.352 2.019 20 5 DEBDMO COc1cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000593189240 358031283 /nfs/dbraw/zinc/03/12/83/358031283.db2.gz YPWOXSIDLJJGSU-UTUOFQBUSA-N 1 1 321.377 2.157 20 5 DEBDMO C[C@H](CCO)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593694691 358125559 /nfs/dbraw/zinc/12/55/59/358125559.db2.gz PYBXHNWRSHMUML-GFCCVEGCSA-N 1 1 318.377 2.198 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@@H]2CO)c2c(c1)COCO2 ZINC000594014989 358188957 /nfs/dbraw/zinc/18/89/57/358188957.db2.gz RBXFZJSBHPLGGC-CQSZACIVSA-N 1 1 322.361 2.198 20 5 DEBDMO Cn1cncc1CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593960607 358179086 /nfs/dbraw/zinc/17/90/86/358179086.db2.gz AARBCCLUPQWEOL-UHFFFAOYSA-N 1 1 300.362 2.319 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(=O)NC1CCCC1 ZINC000595019703 358379340 /nfs/dbraw/zinc/37/93/40/358379340.db2.gz QARMQTHETBGZHN-LLVKDONJSA-N 1 1 321.377 2.313 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000595019365 358379746 /nfs/dbraw/zinc/37/97/46/358379746.db2.gz MDBBQVKALDKOHG-SMDDNHRTSA-N 1 1 321.377 2.263 20 5 DEBDMO CNC(=O)N[C@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347363088 283375401 /nfs/dbraw/zinc/37/54/01/283375401.db2.gz AQFDILSXGJGRHB-UNJUUPHPSA-N 1 1 318.377 2.001 20 5 DEBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595390612 358438686 /nfs/dbraw/zinc/43/86/86/358438686.db2.gz ZFPGDXRNIHJOAN-GFCCVEGCSA-N 1 1 309.341 2.034 20 5 DEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1COCCO1 ZINC000595743170 358537846 /nfs/dbraw/zinc/53/78/46/358537846.db2.gz QRECQRUCRAVNOO-OAHLLOKOSA-N 1 1 324.377 2.229 20 5 DEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1COCCO1 ZINC000595743170 358537851 /nfs/dbraw/zinc/53/78/51/358537851.db2.gz QRECQRUCRAVNOO-OAHLLOKOSA-N 1 1 324.377 2.229 20 5 DEBDMO COc1cc(NC[C@@H]2CCC[N@H+]2CCCO)c([N+](=O)[O-])cc1C ZINC000596259759 358654323 /nfs/dbraw/zinc/65/43/23/358654323.db2.gz WHIXJVPYMJHVSD-ZDUSSCGKSA-N 1 1 323.393 2.171 20 5 DEBDMO CCOc1cccc(NCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000181211865 199266185 /nfs/dbraw/zinc/26/61/85/199266185.db2.gz YQUUKQQNLFZCFP-UHFFFAOYSA-N 1 1 309.366 2.128 20 5 DEBDMO COc1cc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])cc1OC ZINC000597234899 358863909 /nfs/dbraw/zinc/86/39/09/358863909.db2.gz CTHLZWXXPGWPTD-BDJLRTHQSA-N 1 1 324.377 2.062 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCOCCO)C1CCC1 ZINC000597205498 358852828 /nfs/dbraw/zinc/85/28/28/358852828.db2.gz GCKALWNWVWIVNQ-XQRVVYSFSA-N 1 1 320.389 2.471 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCOCC2)CC1 ZINC000599474119 359505411 /nfs/dbraw/zinc/50/54/11/359505411.db2.gz IHKKNJOGXGYALA-AWEZNQCLSA-N 1 1 319.405 2.452 20 5 DEBDMO CC1(C)CCC(C)(C)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599537604 359519524 /nfs/dbraw/zinc/51/95/24/359519524.db2.gz GPOPNBGVGGDQMN-CYBMUJFWSA-N 1 1 310.398 2.053 20 5 DEBDMO CN(C)C1(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])CCC1 ZINC000186989997 200044522 /nfs/dbraw/zinc/04/45/22/200044522.db2.gz BWDDKOLZOFWWRD-UHFFFAOYSA-N 1 1 307.394 2.390 20 5 DEBDMO CN(C)C1(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CCC1 ZINC000186989997 200044524 /nfs/dbraw/zinc/04/45/24/200044524.db2.gz BWDDKOLZOFWWRD-UHFFFAOYSA-N 1 1 307.394 2.390 20 5 DEBDMO CC[C@]1(CO)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000187556206 200127677 /nfs/dbraw/zinc/12/76/77/200127677.db2.gz URPRYQTZDKVYAU-INIZCTEOSA-N 1 1 308.378 2.458 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNc2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601115581 359926562 /nfs/dbraw/zinc/92/65/62/359926562.db2.gz JCHQNZZSIBKSFI-LBPRGKRZSA-N 1 1 300.362 2.319 20 5 DEBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000188840892 200311098 /nfs/dbraw/zinc/31/10/98/200311098.db2.gz XQCAASRCYRPVMV-GQCTYLIASA-N 1 1 306.362 2.081 20 5 DEBDMO C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000601227657 359973530 /nfs/dbraw/zinc/97/35/30/359973530.db2.gz HJSRXJCLZBNAOO-UHFFFAOYSA-N 1 1 310.329 2.292 20 5 DEBDMO CC(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000189083958 200345482 /nfs/dbraw/zinc/34/54/82/200345482.db2.gz CRYXOJCBFRCSRG-LBPRGKRZSA-N 1 1 305.378 2.400 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281222146 216165753 /nfs/dbraw/zinc/16/57/53/216165753.db2.gz DVAOUFWSZKRDIQ-LOWVWBTDSA-N 1 1 305.334 2.086 20 5 DEBDMO COCC(C)(C)[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000292409708 223059006 /nfs/dbraw/zinc/05/90/06/223059006.db2.gz UMYNOVIJLKYKTG-UHFFFAOYSA-N 1 1 312.366 2.339 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000602516778 360413650 /nfs/dbraw/zinc/41/36/50/360413650.db2.gz RDJISQLHPNHPTF-NEPJUHHUSA-N 1 1 316.361 2.452 20 5 DEBDMO CC(F)(F)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602673011 360489609 /nfs/dbraw/zinc/48/96/09/360489609.db2.gz AUTUUCKIVOOFBS-UHFFFAOYSA-N 1 1 300.309 2.203 20 5 DEBDMO CCOCCOCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000190291798 200513600 /nfs/dbraw/zinc/51/36/00/200513600.db2.gz ICVLDALCULCJJI-UHFFFAOYSA-N 1 1 323.349 2.221 20 5 DEBDMO CCOCCOCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000190291798 200513602 /nfs/dbraw/zinc/51/36/02/200513602.db2.gz ICVLDALCULCJJI-UHFFFAOYSA-N 1 1 323.349 2.221 20 5 DEBDMO COc1ccc2c(c1)C[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602762266 360539681 /nfs/dbraw/zinc/53/96/81/360539681.db2.gz DPZGLHKADNJVLQ-UHFFFAOYSA-N 1 1 316.361 2.167 20 5 DEBDMO COc1ccc2c(c1)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602762266 360539684 /nfs/dbraw/zinc/53/96/84/360539684.db2.gz DPZGLHKADNJVLQ-UHFFFAOYSA-N 1 1 316.361 2.167 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000602837517 360580859 /nfs/dbraw/zinc/58/08/59/360580859.db2.gz OLBGJVOXPNVKBI-HLPPOEQASA-N 1 1 304.394 2.468 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000602849666 360588921 /nfs/dbraw/zinc/58/89/21/360588921.db2.gz LTOFPVBHLZKUMK-LBPRGKRZSA-N 1 1 308.382 2.133 20 5 DEBDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000609382808 361306887 /nfs/dbraw/zinc/30/68/87/361306887.db2.gz FCLCGPYSDSKXAQ-AWEZNQCLSA-N 1 1 303.362 2.117 20 5 DEBDMO O=[N+]([O-])c1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000609599039 361326014 /nfs/dbraw/zinc/32/60/14/361326014.db2.gz BFVIXNXFHUWQQN-QGZVFWFLSA-N 1 1 319.405 2.328 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CCO)C1 ZINC000609848932 361344462 /nfs/dbraw/zinc/34/44/62/361344462.db2.gz QHFAPYORWDEQIY-QWHCGFSZSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CCO)C1 ZINC000609848932 361344467 /nfs/dbraw/zinc/34/44/67/361344467.db2.gz QHFAPYORWDEQIY-QWHCGFSZSA-N 1 1 321.377 2.016 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC2CCC2)CC1 ZINC000610367551 361390571 /nfs/dbraw/zinc/39/05/71/361390571.db2.gz WHYXYWJJQYEZOT-UHFFFAOYSA-N 1 1 309.391 2.214 20 5 DEBDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000611555179 361629491 /nfs/dbraw/zinc/62/94/91/361629491.db2.gz PSLBPPQVOLXPET-ZJUUUORDSA-N 1 1 306.288 2.454 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000611712429 361664544 /nfs/dbraw/zinc/66/45/44/361664544.db2.gz LCPYMVCEGIMZOI-NEPJUHHUSA-N 1 1 315.377 2.457 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195130694 201344540 /nfs/dbraw/zinc/34/45/40/201344540.db2.gz KDBKUHYWGPHYMI-GFCCVEGCSA-N 1 1 320.393 2.171 20 5 DEBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000452168504 244000837 /nfs/dbraw/zinc/00/08/37/244000837.db2.gz DLXVTCHXYXGUPK-GFCCVEGCSA-N 1 1 303.362 2.151 20 5 DEBDMO Cc1c([C@@H](C)NC[C@H]2CCC[N@@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000453271402 245037050 /nfs/dbraw/zinc/03/70/50/245037050.db2.gz UFXNXUGGSNONFK-HUUCEWRRSA-N 1 1 321.421 2.401 20 5 DEBDMO Cc1c([C@@H](C)NC[C@H]2CCC[N@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000453271402 245037061 /nfs/dbraw/zinc/03/70/61/245037061.db2.gz UFXNXUGGSNONFK-HUUCEWRRSA-N 1 1 321.421 2.401 20 5 DEBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264629851 204039946 /nfs/dbraw/zinc/03/99/46/204039946.db2.gz LNLWFOPADYFHRS-JTQLQIEISA-N 1 1 323.780 2.462 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000267407577 206045084 /nfs/dbraw/zinc/04/50/84/206045084.db2.gz PNMBHOKONKFQER-UHFFFAOYSA-N 1 1 311.769 2.416 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000456334806 247093839 /nfs/dbraw/zinc/09/38/39/247093839.db2.gz ABMYDXZGGIYLLD-AWEZNQCLSA-N 1 1 305.378 2.460 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000457915828 248070707 /nfs/dbraw/zinc/07/07/07/248070707.db2.gz JSQOWJQNKQFYCQ-AWEZNQCLSA-N 1 1 320.393 2.126 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458235497 248221613 /nfs/dbraw/zinc/22/16/13/248221613.db2.gz YDDYMKKBUSKPGT-ZDUSSCGKSA-N 1 1 305.378 2.365 20 5 DEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491829031 248966798 /nfs/dbraw/zinc/96/67/98/248966798.db2.gz WRNAYQCGRZWARK-LJLILKBBSA-N 1 1 303.362 2.161 20 5 DEBDMO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C 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/nfs/dbraw/zinc/13/70/82/404137082.db2.gz CSZGFIHHRMJYPC-BETUJISGSA-N 1 1 303.362 2.185 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000341817877 404191291 /nfs/dbraw/zinc/19/12/91/404191291.db2.gz CBQBMNFAUZIUPI-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000341817877 404191295 /nfs/dbraw/zinc/19/12/95/404191295.db2.gz CBQBMNFAUZIUPI-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO C[N@H+](CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000349862307 404233793 /nfs/dbraw/zinc/23/37/93/404233793.db2.gz VCRBYJHZQQINSX-UHFFFAOYSA-N 1 1 305.359 2.240 20 5 DEBDMO C[N@@H+](CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000349862307 404233797 /nfs/dbraw/zinc/23/37/97/404233797.db2.gz VCRBYJHZQQINSX-UHFFFAOYSA-N 1 1 305.359 2.240 20 5 DEBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363939079 404259821 /nfs/dbraw/zinc/25/98/21/404259821.db2.gz RFRZPYFEYJVBEC-KBPBESRZSA-N 1 1 303.362 2.260 20 5 DEBDMO COC[C@]1(C)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000296529613 404292513 /nfs/dbraw/zinc/29/25/13/404292513.db2.gz AXMUOLRXVKNXRV-MRXNPFEDSA-N 1 1 321.377 2.282 20 5 DEBDMO COc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000337822180 404262972 /nfs/dbraw/zinc/26/29/72/404262972.db2.gz UZIJKBXRHWYFKJ-ZIAGYGMSSA-N 1 1 305.378 2.320 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1OCCc2ccccc21 ZINC000350118322 404325747 /nfs/dbraw/zinc/32/57/47/404325747.db2.gz SPBFTJCLJIHCJQ-INIZCTEOSA-N 1 1 316.361 2.037 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000290866500 404343045 /nfs/dbraw/zinc/34/30/45/404343045.db2.gz RFONCIXJKIFIMD-LLVKDONJSA-N 1 1 324.381 2.309 20 5 DEBDMO C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000290871095 404344975 /nfs/dbraw/zinc/34/49/75/404344975.db2.gz ZPPKUGPWBPSWOA-NSHDSACASA-N 1 1 300.742 2.082 20 5 DEBDMO O=C1NCCc2ccc(C[NH2+]Cc3ccccc3[N+](=O)[O-])cc21 ZINC000350320415 404368300 /nfs/dbraw/zinc/36/83/00/404368300.db2.gz QPLYVDWOKAPDAD-UHFFFAOYSA-N 1 1 311.341 2.171 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@@H+](C)C(C)C ZINC000342117740 404379783 /nfs/dbraw/zinc/37/97/83/404379783.db2.gz PAHBAMVNQZRIIN-UHFFFAOYSA-N 1 1 309.366 2.442 20 5 DEBDMO CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000291402578 404383513 /nfs/dbraw/zinc/38/35/13/404383513.db2.gz DUVSZSLCRAASMH-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000291595873 404441086 /nfs/dbraw/zinc/44/10/86/404441086.db2.gz RHSNTIJTGUEMCD-LLVKDONJSA-N 1 1 308.382 2.027 20 5 DEBDMO CC[N@@H+](CCNC(=O)CCNc1ccccc1[N+](=O)[O-])C(C)C ZINC000338765588 404531628 /nfs/dbraw/zinc/53/16/28/404531628.db2.gz IGAFMXRPSNRHKS-UHFFFAOYSA-N 1 1 322.409 2.243 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291853157 404550865 /nfs/dbraw/zinc/55/08/65/404550865.db2.gz HMAKMJHKVLODLQ-GFCCVEGCSA-N 1 1 320.393 2.223 20 5 DEBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCO1 ZINC000342604540 404672971 /nfs/dbraw/zinc/67/29/71/404672971.db2.gz YPRVHSAXZOPEPE-HNNXBMFYSA-N 1 1 321.377 2.424 20 5 DEBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCO1 ZINC000342604541 404673440 /nfs/dbraw/zinc/67/34/40/404673440.db2.gz YPRVHSAXZOPEPE-OAHLLOKOSA-N 1 1 321.377 2.424 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342611303 404677051 /nfs/dbraw/zinc/67/70/51/404677051.db2.gz XMVRCGPVRWHJKY-OLZOCXBDSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352894493 404684416 /nfs/dbraw/zinc/68/44/16/404684416.db2.gz SWKSYAHWHKTCRV-QWHCGFSZSA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352894493 404684419 /nfs/dbraw/zinc/68/44/19/404684419.db2.gz SWKSYAHWHKTCRV-QWHCGFSZSA-N 1 1 323.368 2.029 20 5 DEBDMO CC(=O)c1ccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000365588509 404695935 /nfs/dbraw/zinc/69/59/35/404695935.db2.gz MUBDTPSOGJHAFG-ZIAGYGMSSA-N 1 1 319.361 2.073 20 5 DEBDMO Cc1ccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000414784596 404734692 /nfs/dbraw/zinc/73/46/92/404734692.db2.gz INJFRUSAAYKLAY-HNNXBMFYSA-N 1 1 319.405 2.091 20 5 DEBDMO [NH3+]CC(F)(F)CN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414929909 404768863 /nfs/dbraw/zinc/76/88/63/404768863.db2.gz OKUPWQSDAZGHAC-WCQYABFASA-N 1 1 313.348 2.490 20 5 DEBDMO NCC(F)(F)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414929909 404768866 /nfs/dbraw/zinc/76/88/66/404768866.db2.gz OKUPWQSDAZGHAC-WCQYABFASA-N 1 1 313.348 2.490 20 5 DEBDMO COC[C@H](C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353496127 404848054 /nfs/dbraw/zinc/84/80/54/404848054.db2.gz KYAQUCDSZMQEMQ-DOMZBBRYSA-N 1 1 318.377 2.290 20 5 DEBDMO C[C@H](CCO)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353515929 404854342 /nfs/dbraw/zinc/85/43/42/404854342.db2.gz IOOMFUDKNKJBIP-DOMZBBRYSA-N 1 1 318.377 2.026 20 5 DEBDMO CC[C@@H](CCO)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353535458 404858972 /nfs/dbraw/zinc/85/89/72/404858972.db2.gz VYLPCOXSMGTXJM-DZGCQCFKSA-N 1 1 318.377 2.168 20 5 DEBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000407993272 405084768 /nfs/dbraw/zinc/08/47/68/405084768.db2.gz MRNNNHWHMFAMNX-UHFFFAOYSA-N 1 1 324.402 2.398 20 5 DEBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000361482578 405092919 /nfs/dbraw/zinc/09/29/19/405092919.db2.gz XYEHRXRWGMEEBV-AWEZNQCLSA-N 1 1 308.378 2.457 20 5 DEBDMO COC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452044611 405138833 /nfs/dbraw/zinc/13/88/33/405138833.db2.gz WHIAQSMJJVNRIR-CYBMUJFWSA-N 1 1 321.377 2.424 20 5 DEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361569992 405135694 /nfs/dbraw/zinc/13/56/94/405135694.db2.gz ZTVXYDUEXCYGPP-OLZOCXBDSA-N 1 1 304.350 2.343 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000568413064 292340184 /nfs/dbraw/zinc/34/01/84/292340184.db2.gz SNRAIXTYUBJVQD-INIZCTEOSA-N 1 1 318.377 2.159 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCO)[C@H]2CCCSC2)cc1 ZINC000439007187 405262455 /nfs/dbraw/zinc/26/24/55/405262455.db2.gz RLLFYPCAJRLSPE-HNNXBMFYSA-N 1 1 310.419 2.327 20 5 DEBDMO COCCCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000419381720 405246035 /nfs/dbraw/zinc/24/60/35/405246035.db2.gz IONQGTVRCWEGRP-UHFFFAOYSA-N 1 1 309.366 2.200 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+](C)C2(CN)CCC2)cccc1[N+](=O)[O-] ZINC000420337812 405324544 /nfs/dbraw/zinc/32/45/44/405324544.db2.gz XDWMYBDRGAXBMI-UHFFFAOYSA-N 1 1 320.393 2.045 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C)C2(CN)CCC2)cccc1[N+](=O)[O-] ZINC000420337812 405324547 /nfs/dbraw/zinc/32/45/47/405324547.db2.gz XDWMYBDRGAXBMI-UHFFFAOYSA-N 1 1 320.393 2.045 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3ncsc3C2)cc1 ZINC000445840059 405357979 /nfs/dbraw/zinc/35/79/79/405357979.db2.gz OHIQSTYXLHSCCO-UHFFFAOYSA-N 1 1 305.359 2.488 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3ncsc3C2)cc1 ZINC000445840059 405357982 /nfs/dbraw/zinc/35/79/82/405357982.db2.gz OHIQSTYXLHSCCO-UHFFFAOYSA-N 1 1 305.359 2.488 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CC[NH2+]CC2(F)F)n1 ZINC000420268744 405303762 /nfs/dbraw/zinc/30/37/62/405303762.db2.gz ASADKPHCRQBTMK-JTQLQIEISA-N 1 1 300.309 2.263 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420638877 405365968 /nfs/dbraw/zinc/36/59/68/405365968.db2.gz PMGUQKDXJSYTEU-NSHDSACASA-N 1 1 308.382 2.226 20 5 DEBDMO COc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000421098457 405446923 /nfs/dbraw/zinc/44/69/23/405446923.db2.gz YAPOEFTWEARIGC-LBPRGKRZSA-N 1 1 322.365 2.161 20 5 DEBDMO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000456177258 405530509 /nfs/dbraw/zinc/53/05/09/405530509.db2.gz XVVLKNOEKACBLN-UHFFFAOYSA-N 1 1 309.366 2.151 20 5 DEBDMO CSc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000556804183 405536517 /nfs/dbraw/zinc/53/65/17/405536517.db2.gz YLDCNDHQOHOHPT-UHFFFAOYSA-N 1 1 323.418 2.483 20 5 DEBDMO CSc1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000556804183 405536524 /nfs/dbraw/zinc/53/65/24/405536524.db2.gz YLDCNDHQOHOHPT-UHFFFAOYSA-N 1 1 323.418 2.483 20 5 DEBDMO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1C ZINC000421715061 405609896 /nfs/dbraw/zinc/60/98/96/405609896.db2.gz XABCSUORPVBLOB-ZDUSSCGKSA-N 1 1 321.377 2.078 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000421781293 405645158 /nfs/dbraw/zinc/64/51/58/405645158.db2.gz AGJDPNFMZFRTHQ-IUODEOHRSA-N 1 1 317.389 2.424 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457141470 405721469 /nfs/dbraw/zinc/72/14/69/405721469.db2.gz ZGQZOGQEDYTIFP-CYBMUJFWSA-N 1 1 321.377 2.158 20 5 DEBDMO C[N@@H+](CCCCNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000457213795 405755339 /nfs/dbraw/zinc/75/53/39/405755339.db2.gz ZWKPICXFMAKEPR-UHFFFAOYSA-N 1 1 305.378 2.128 20 5 DEBDMO COC(C)(C)C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000532645273 406091443 /nfs/dbraw/zinc/09/14/43/406091443.db2.gz JFRCZEAVUGAESW-AWEZNQCLSA-N 1 1 321.377 2.057 20 5 DEBDMO CC(C)Oc1nc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000568878997 292374803 /nfs/dbraw/zinc/37/48/03/292374803.db2.gz CKSYVNPTOBIGEF-TXEJJXNPSA-N 1 1 308.382 2.306 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000533432016 406143619 /nfs/dbraw/zinc/14/36/19/406143619.db2.gz WWWQATDBLPLMMZ-MNOVXSKESA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000533432016 406143620 /nfs/dbraw/zinc/14/36/20/406143620.db2.gz WWWQATDBLPLMMZ-MNOVXSKESA-N 1 1 307.350 2.272 20 5 DEBDMO Cn1ccnc1[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000534580290 406191067 /nfs/dbraw/zinc/19/10/67/406191067.db2.gz ZTYDIAPOORLIQV-CYBMUJFWSA-N 1 1 316.361 2.197 20 5 DEBDMO Cc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000535036247 406206751 /nfs/dbraw/zinc/20/67/51/406206751.db2.gz MBGXHMIRVJFANI-UHFFFAOYSA-N 1 1 314.345 2.469 20 5 DEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000520365984 406285926 /nfs/dbraw/zinc/28/59/26/406285926.db2.gz JSIIPYSLTDCNSV-GFCCVEGCSA-N 1 1 322.409 2.174 20 5 DEBDMO CN1CCC[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000521545776 406352752 /nfs/dbraw/zinc/35/27/52/406352752.db2.gz KSFGHGCLERDHAU-HOCLYGCPSA-N 1 1 317.389 2.395 20 5 DEBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCO[C@H]1C ZINC000489444963 406406932 /nfs/dbraw/zinc/40/69/32/406406932.db2.gz ZKFVVWLYZNCCOE-JSGCOSHPSA-N 1 1 324.377 2.229 20 5 DEBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@@H]1C ZINC000489459579 406408143 /nfs/dbraw/zinc/40/81/43/406408143.db2.gz CLUPWVIVZLBLKZ-CJNGLKHVSA-N 1 1 324.377 2.099 20 5 DEBDMO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000548754301 406549550 /nfs/dbraw/zinc/54/95/50/406549550.db2.gz 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Cc1nc(NCCc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000132958666 196299388 /nfs/dbraw/zinc/29/93/88/196299388.db2.gz QJSUFSRLWQFZDC-UHFFFAOYSA-N 1 1 301.350 2.486 20 5 DEBDMO CC(C)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000134447589 196392407 /nfs/dbraw/zinc/39/24/07/196392407.db2.gz YQONCIVHEKFGBE-AWEZNQCLSA-N 1 1 312.414 2.156 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000290970403 222038097 /nfs/dbraw/zinc/03/80/97/222038097.db2.gz QTKMKFPSMASZBK-LBPRGKRZSA-N 1 1 323.393 2.454 20 5 DEBDMO CC[N@@H+](C[C@H](C)OC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000291159510 222183757 /nfs/dbraw/zinc/18/37/57/222183757.db2.gz FQSBAVJVCGMEGW-NWDGAFQWSA-N 1 1 309.366 2.279 20 5 DEBDMO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000291171629 222193717 /nfs/dbraw/zinc/19/37/17/222193717.db2.gz DQXICETZYTWIBL-LBPRGKRZSA-N 1 1 300.305 2.353 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000291171629 222193719 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DEBDMO COc1ccc(OCC[N@@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000363676411 269069269 /nfs/dbraw/zinc/06/92/69/269069269.db2.gz PFSKMCSHWQSQLP-CYBMUJFWSA-N 1 1 324.377 2.483 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496952275 269270174 /nfs/dbraw/zinc/27/01/74/269270174.db2.gz ZIUMSODEYNBDPS-OLZOCXBDSA-N 1 1 319.361 2.430 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000136904754 276130143 /nfs/dbraw/zinc/13/01/43/276130143.db2.gz UABFANJUQDFPAL-UHFFFAOYSA-N 1 1 311.769 2.462 20 5 DEBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000120887069 276364322 /nfs/dbraw/zinc/36/43/22/276364322.db2.gz YUAQOHXFNWFHBY-KBPBESRZSA-N 1 1 308.382 2.071 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000344662304 277041334 /nfs/dbraw/zinc/04/13/34/277041334.db2.gz IFOIPNNVUDVUPI-CYBMUJFWSA-N 1 1 320.393 2.027 20 5 DEBDMO O=[N+]([O-])c1c(NC[C@@H]2CC[N@H+](C3CC3)C2)nc2sccn21 ZINC000037404520 337363422 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BXPGBPLDSQOGRM-LBPRGKRZSA-N 1 1 310.350 2.310 20 5 DEBDMO O=C1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCCCCN1 ZINC000934160638 624759338 /nfs/dbraw/zinc/75/93/38/624759338.db2.gz WKHBOMWTBWMKDU-UHFFFAOYSA-N 1 1 305.378 2.130 20 5 DEBDMO C[C@H](NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000892112734 624785535 /nfs/dbraw/zinc/78/55/35/624785535.db2.gz USTIYGAXRRVTDP-CORIIIEPSA-N 1 1 318.377 2.001 20 5 DEBDMO C[C@H](NC(=O)NCC[N@H+]1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000892113474 624785632 /nfs/dbraw/zinc/78/56/32/624785632.db2.gz XKOGNHVYZLQBOI-OLZOCXBDSA-N 1 1 320.393 2.439 20 5 DEBDMO C[C@@H]1CSCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000934299678 624832815 /nfs/dbraw/zinc/83/28/15/624832815.db2.gz ICISMEGXKGCQGV-GFCCVEGCSA-N 1 1 323.418 2.385 20 5 DEBDMO C[C@@H]1CSCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000934299678 624832816 /nfs/dbraw/zinc/83/28/16/624832816.db2.gz ICISMEGXKGCQGV-GFCCVEGCSA-N 1 1 323.418 2.385 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1[N+](=O)[O-] ZINC000892216449 624849657 /nfs/dbraw/zinc/84/96/57/624849657.db2.gz SJBUUWNUASLGAW-QWHCGFSZSA-N 1 1 322.361 2.310 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000893410216 633510813 /nfs/dbraw/zinc/51/08/13/633510813.db2.gz YZXIZVGOPUMZSR-YPMHNXCESA-N 1 1 324.377 2.292 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000893873025 636052078 /nfs/dbraw/zinc/05/20/78/636052078.db2.gz NOCAYAARTXRTIO-NSHDSACASA-N 1 1 311.769 2.381 20 5 DEBDMO C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1ccccc1[N+](=O)[O-] ZINC000921965483 635768979 /nfs/dbraw/zinc/76/89/79/635768979.db2.gz BDGSJUXQVXQCGE-LLVKDONJSA-N 1 1 302.334 2.172 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCSC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894011023 636086591 /nfs/dbraw/zinc/08/65/91/636086591.db2.gz ZYRJPSGZMYFPQJ-JTQLQIEISA-N 1 1 312.391 2.494 20 5 DEBDMO Cc1c(CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000894396186 636997035 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LESQMHNXHLSTTN-CMPLNLGQSA-N 1 1 309.322 2.096 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000757796213 639882349 /nfs/dbraw/zinc/88/23/49/639882349.db2.gz RYICNTLPARAMIX-PWSUYJOCSA-N 1 1 301.350 2.137 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000758413322 639957286 /nfs/dbraw/zinc/95/72/86/639957286.db2.gz FEFIWOLTNQNBPK-QWHCGFSZSA-N 1 1 321.352 2.399 20 5 DEBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccc21 ZINC000761639677 640331792 /nfs/dbraw/zinc/33/17/92/640331792.db2.gz CNFRDXFBRJJVHC-ZDUSSCGKSA-N 1 1 313.357 2.376 20 5 DEBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](CC2CC2)CC1 ZINC000763203105 640515174 /nfs/dbraw/zinc/51/51/74/640515174.db2.gz KPOCTYDEWLMDIJ-UHFFFAOYSA-N 1 1 303.362 2.329 20 5 DEBDMO C[N@H+]1C[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000897621471 640871556 /nfs/dbraw/zinc/87/15/56/640871556.db2.gz CGNUYATZCKPLOK-XUXNBKRGSA-N 1 1 301.390 2.492 20 5 DEBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000898263259 641074259 /nfs/dbraw/zinc/07/42/59/641074259.db2.gz FWYSLOFGJOQSLL-UHFFFAOYSA-N 1 1 322.752 2.265 20 5 DEBDMO Cc1[nH+]ccn1CCCCOC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000769099818 641174697 /nfs/dbraw/zinc/17/46/97/641174697.db2.gz ATKYZABIBFSQOX-UHFFFAOYSA-N 1 1 318.333 2.319 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000769145956 641185505 /nfs/dbraw/zinc/18/55/05/641185505.db2.gz QCAKVOUPRVLKCX-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000769145956 641185507 /nfs/dbraw/zinc/18/55/07/641185507.db2.gz QCAKVOUPRVLKCX-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000769757861 641285684 /nfs/dbraw/zinc/28/56/84/641285684.db2.gz SWQOYHFJTNYNJB-ABAIWWIYSA-N 1 1 321.352 2.290 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000771994549 641583608 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JIEHIRQOMAXMEJ-LRDDRELGSA-N 1 1 305.378 2.417 20 5 DEBDMO C[C@@H]1CCCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867978134 687857881 /nfs/dbraw/zinc/85/78/81/687857881.db2.gz VDVPQVCCJCZIAC-MLGOLLRUSA-N 1 1 305.378 2.417 20 5 DEBDMO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@@H+]2CC[N+](=O)[O-] ZINC000930497741 694176146 /nfs/dbraw/zinc/17/61/46/694176146.db2.gz QNYVGAWCWBAUDA-UHFFFAOYSA-N 1 1 313.398 2.032 20 5 DEBDMO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@H+]2CC[N+](=O)[O-] ZINC000930497741 694176149 /nfs/dbraw/zinc/17/61/49/694176149.db2.gz QNYVGAWCWBAUDA-UHFFFAOYSA-N 1 1 313.398 2.032 20 5 DEBDMO CC(C)([NH2+]Cc1[nH]nc2c1COCC2)c1ccccc1[N+](=O)[O-] ZINC000930554381 694189003 /nfs/dbraw/zinc/18/90/03/694189003.db2.gz KTDZGHZLEVZHAY-UHFFFAOYSA-N 1 1 316.361 2.416 20 5 DEBDMO Cc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871150578 688736184 /nfs/dbraw/zinc/73/61/84/688736184.db2.gz PMSXCKRKHKQDPL-UHFFFAOYSA-N 1 1 305.378 2.460 20 5 DEBDMO C[N@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CCC1(C)C ZINC000871157089 688738640 /nfs/dbraw/zinc/73/86/40/688738640.db2.gz GUFHLOAGSUVZPE-UHFFFAOYSA-N 1 1 323.368 2.219 20 5 DEBDMO Cc1c(C[NH2+][C@H](C)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000873107692 689159115 /nfs/dbraw/zinc/15/91/15/689159115.db2.gz XNYGCBUUPTYURC-CQSZACIVSA-N 1 1 320.437 2.019 20 5 DEBDMO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000930910847 694269486 /nfs/dbraw/zinc/26/94/86/694269486.db2.gz JJZOXISPWCCHOB-FOGDFJRCSA-N 1 1 309.341 2.208 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000874445538 689416242 /nfs/dbraw/zinc/41/62/42/689416242.db2.gz ADXDKQCQROYEPG-CQSZACIVSA-N 1 1 317.389 2.426 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000877459107 690119067 /nfs/dbraw/zinc/11/90/67/690119067.db2.gz GMFHZCPLHYZYAG-UHFFFAOYSA-N 1 1 321.421 2.100 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000877459107 690119069 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CO[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000879323653 690620126 /nfs/dbraw/zinc/62/01/26/690620126.db2.gz STYXLMKZAZDHFG-JSGCOSHPSA-N 1 1 321.377 2.341 20 5 DEBDMO CO[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000879323653 690620127 /nfs/dbraw/zinc/62/01/27/690620127.db2.gz STYXLMKZAZDHFG-JSGCOSHPSA-N 1 1 321.377 2.341 20 5 DEBDMO Cc1cncc([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000879750655 690721298 /nfs/dbraw/zinc/72/12/98/690721298.db2.gz UBJOPBPPHDSHMX-OAHLLOKOSA-N 1 1 301.350 2.332 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCOc1ccc([N+](=O)[O-])cc1 ZINC000880130717 690810439 /nfs/dbraw/zinc/81/04/39/690810439.db2.gz FXKSSXXBQSAPQG-HZPDHXFCSA-N 1 1 305.378 2.142 20 5 DEBDMO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000880130717 690810443 /nfs/dbraw/zinc/81/04/43/690810443.db2.gz FXKSSXXBQSAPQG-HZPDHXFCSA-N 1 1 305.378 2.142 20 5 DEBDMO CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000880130717 690810448 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JAINOUIECUAANB-CVEARBPZSA-N 1 1 317.389 2.299 20 5 DEBDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886174511 692017820 /nfs/dbraw/zinc/01/78/20/692017820.db2.gz BZWAOOIELJPABX-LBPRGKRZSA-N 1 1 301.350 2.103 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000886184258 692020498 /nfs/dbraw/zinc/02/04/98/692020498.db2.gz XVWLAAMFLTYBFA-OAHLLOKOSA-N 1 1 314.345 2.176 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000886184258 692020499 /nfs/dbraw/zinc/02/04/99/692020499.db2.gz XVWLAAMFLTYBFA-OAHLLOKOSA-N 1 1 314.345 2.176 20 5 DEBDMO C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000886215331 692026533 /nfs/dbraw/zinc/02/65/33/692026533.db2.gz IOKNQHQNTFWDTC-ZDUSSCGKSA-N 1 1 304.394 2.296 20 5 DEBDMO Cn1cc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c([N+](=O)[O-])n1 ZINC000931909674 694504299 /nfs/dbraw/zinc/50/42/99/694504299.db2.gz JURZBNYBPOTIAA-JTQLQIEISA-N 1 1 322.262 2.195 20 5 DEBDMO 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C[C@H]1CCCC[N@H+]1CCCNc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001167751619 778414412 /nfs/dbraw/zinc/41/44/12/778414412.db2.gz MLINHNUWWTYAPP-NSHDSACASA-N 1 1 312.345 2.044 20 5 DEBDMO CC(C)[NH+]1CC(Nc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001168313156 780831703 /nfs/dbraw/zinc/83/17/03/780831703.db2.gz KJCMPJDASJHUCL-UHFFFAOYSA-N 1 1 305.313 2.182 20 5 DEBDMO CC(C)N1CC(Nc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)C1 ZINC001168314537 780832714 /nfs/dbraw/zinc/83/27/14/780832714.db2.gz OFKQMLLHENHIAT-UHFFFAOYSA-N 1 1 322.409 2.040 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCN(c3ccc(F)cn3)CC2)C1 ZINC001169007660 785000287 /nfs/dbraw/zinc/00/02/87/785000287.db2.gz OZXVGYWVJTWMIA-HIFRSBDPSA-N 1 1 322.384 2.178 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(N3CCC(F)CC3)CC2)C1 ZINC001169034241 785010961 /nfs/dbraw/zinc/01/09/61/785010961.db2.gz GHQKQQVGWLEGNP-CZUORRHYSA-N 1 1 313.417 2.330 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC([NH+]3CCC(F)CC3)CC2)C1 ZINC001169034241 785010968 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OBOCITXRFKBNGT-XHDPSFHLSA-N 1 1 304.346 2.234 20 5 DEBDMO Cc1cccnc1O[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169048654 785021112 /nfs/dbraw/zinc/02/11/12/785021112.db2.gz AHOPJVRRUQCQOT-SOUVJXGZSA-N 1 1 305.378 2.289 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](Oc3ccncc3)C2)C1 ZINC001169052454 785023146 /nfs/dbraw/zinc/02/31/46/785023146.db2.gz GBLANEKMZCEMTD-IIAWOOMASA-N 1 1 305.378 2.370 20 5 DEBDMO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@H](N)CCC[NH3+] ZINC001170900503 789644733 /nfs/dbraw/zinc/64/47/33/789644733.db2.gz LXZJNBPDBNXNBY-JTQLQIEISA-N 1 1 302.762 2.001 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC001173222674 793638900 /nfs/dbraw/zinc/63/89/00/793638900.db2.gz UDJNXCKAEGZXET-XJKSGUPXSA-N 1 1 306.362 2.017 20 5 DEBDMO CC(=O)N1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC001173232289 793644360 /nfs/dbraw/zinc/64/43/60/793644360.db2.gz QNXHAVXFBSMUQI-CHWSQXEVSA-N 1 1 305.378 2.078 20 5 DEBDMO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001177175127 794603054 /nfs/dbraw/zinc/60/30/54/794603054.db2.gz ASJNQWXKYNXVFE-LLVKDONJSA-N 1 1 317.345 2.469 20 5 DEBDMO CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530873 794811474 /nfs/dbraw/zinc/81/14/74/794811474.db2.gz WGGCJRHJXJGACG-LPUOJRKPSA-N 1 1 323.437 2.417 20 5 DEBDMO Cc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc1[N+](=O)[O-] ZINC001123263567 795882770 /nfs/dbraw/zinc/88/27/70/795882770.db2.gz JEHUQQBPKNZISU-KWCYVHTRSA-N 1 1 318.377 2.365 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC001124004143 796020178 /nfs/dbraw/zinc/02/01/78/796020178.db2.gz UHZCBRVGMKPGMR-MRCXROJRSA-N 1 1 323.780 2.318 20 5 DEBDMO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001192627076 797426793 /nfs/dbraw/zinc/42/67/93/797426793.db2.gz SSRHVVFRXVKHRF-JTQLQIEISA-N 1 1 319.321 2.396 20 5 DEBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C1 ZINC001157022354 798128531 /nfs/dbraw/zinc/12/85/31/798128531.db2.gz XCRULXDDBWUMHS-LLVKDONJSA-N 1 1 303.366 2.390 20 5 DEBDMO CN(CC[N@@H+](C)Cc1ccccc1)c1ncc([N+](=O)[O-])cc1N ZINC001157557216 798229629 /nfs/dbraw/zinc/22/96/29/798229629.db2.gz ZOLIUZZZJXSUEA-UHFFFAOYSA-N 1 1 315.377 2.140 20 5 DEBDMO CCC(=O)NC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001197785898 798238299 /nfs/dbraw/zinc/23/82/99/798238299.db2.gz LIJYUQMYRIMVBH-UHFFFAOYSA-N 1 1 321.377 2.094 20 5 DEBDMO CC[N@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC001158562651 798429813 /nfs/dbraw/zinc/42/98/13/798429813.db2.gz FYCZSIYLFWNENP-UHFFFAOYSA-N 1 1 315.377 2.459 20 5 DEBDMO CC[N@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C(C)(C)C1 ZINC001158569188 798430697 /nfs/dbraw/zinc/43/06/97/798430697.db2.gz ATGVUBNBNSMOLW-UHFFFAOYSA-N 1 1 315.377 2.459 20 5 DEBDMO CN(C)c1cc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc[nH+]1 ZINC001137169933 799228526 /nfs/dbraw/zinc/22/85/26/799228526.db2.gz BFCBPNWNMBOUFJ-UHFFFAOYSA-N 1 1 318.308 2.376 20 5 DEBDMO Cc1cccc(N2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)[nH+]1 ZINC001163660639 799396625 /nfs/dbraw/zinc/39/66/25/799396625.db2.gz SXSJPLUPKSRJNP-UHFFFAOYSA-N 1 1 317.324 2.159 20 5 DEBDMO CC[N@H+]1CCCN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)CC1 ZINC001163776127 799428799 /nfs/dbraw/zinc/42/87/99/799428799.db2.gz GTPKFWVVFRNIBV-RMKNXTFCSA-N 1 1 319.409 2.054 20 5 DEBDMO C[C@@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CC[C@]1(C)O ZINC001164350671 799579753 /nfs/dbraw/zinc/57/97/53/799579753.db2.gz WFHASGYXXUKYSK-LEOCGOGGSA-N 1 1 320.393 2.119 20 5 DEBDMO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000933286378 800061574 /nfs/dbraw/zinc/06/15/74/800061574.db2.gz AXRROPMPHSYXEU-ZDUSSCGKSA-N 1 1 309.341 2.128 20 5 DEBDMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000933486794 800106790 /nfs/dbraw/zinc/10/67/90/800106790.db2.gz DJHRELRTIDJOFE-SNVBAGLBSA-N 1 1 302.334 2.114 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000934116107 800265154 /nfs/dbraw/zinc/26/51/54/800265154.db2.gz FCHBSNCRBVAERF-LSDHHAIUSA-N 1 1 321.377 2.341 20 5 DEBDMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000935323791 800626789 /nfs/dbraw/zinc/62/67/89/800626789.db2.gz DPBCBNTYDCYUER-LBPRGKRZSA-N 1 1 307.350 2.415 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935747952 800755254 /nfs/dbraw/zinc/75/52/54/800755254.db2.gz CASDZPSCEXKYDV-HOTGVXAUSA-N 1 1 315.373 2.076 20 5 DEBDMO COC(=O)c1c(O[C@@H]2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC001229045855 801213285 /nfs/dbraw/zinc/21/32/85/801213285.db2.gz OQUSJXYNZHBMNW-LLVKDONJSA-N 1 1 308.334 2.245 20 5 DEBDMO Cc1cc(=O)oc2c1ccc(O[C@@H]1CC[N@H+](C)C1)c2[N+](=O)[O-] ZINC001229942548 801339761 /nfs/dbraw/zinc/33/97/61/801339761.db2.gz IQXUKOYQBQTYSS-SNVBAGLBSA-N 1 1 304.302 2.093 20 5 DEBDMO Cc1ccc(NCCNC(=O)Cc2cccc([N+](=O)[O-])c2)[nH+]c1 ZINC001334011339 1150165198 /nfs/dbraw/zinc/16/51/98/1150165198.db2.gz PZSCLFUSWMXMNU-UHFFFAOYSA-N 1 1 314.345 2.069 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC001214562882 801731573 /nfs/dbraw/zinc/73/15/73/801731573.db2.gz YFDHNQFOAFFXLF-GFCCVEGCSA-N 1 1 306.366 2.461 20 5 DEBDMO CN1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1=O ZINC001232223082 801819468 /nfs/dbraw/zinc/81/94/68/801819468.db2.gz JUNRQOMEYUXFBE-UHFFFAOYSA-N 1 1 320.396 2.447 20 5 DEBDMO CN1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC1=O ZINC001232223082 801819472 /nfs/dbraw/zinc/81/94/72/801819472.db2.gz JUNRQOMEYUXFBE-UHFFFAOYSA-N 1 1 320.396 2.447 20 5 DEBDMO C[C@H]1C[NH2+]CCC[C@@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001217990843 802128210 /nfs/dbraw/zinc/12/82/10/802128210.db2.gz VDCBLYAPCLMYNA-ZANVPECISA-N 1 1 318.333 2.011 20 5 DEBDMO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001218029154 802133896 /nfs/dbraw/zinc/13/38/96/802133896.db2.gz ZIDOHWGGWFMEQH-RNCFNFMXSA-N 1 1 318.333 2.011 20 5 DEBDMO CC(=O)c1cc(O[C@H]2CCc3[nH+]ccn3C2)ccc1[N+](=O)[O-] ZINC001233503425 802137025 /nfs/dbraw/zinc/13/70/25/802137025.db2.gz UTZIMLIUNBWXKR-LBPRGKRZSA-N 1 1 301.302 2.388 20 5 DEBDMO C[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001233747397 802197457 /nfs/dbraw/zinc/19/74/57/802197457.db2.gz PZCQZTYCJSZOAP-MRVPVSSYSA-N 1 1 305.256 2.482 20 5 DEBDMO CC[N@H+]1CCC[C@@H](Oc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC001226216285 803073312 /nfs/dbraw/zinc/07/33/12/803073312.db2.gz HJGMMQHETZFQGA-CYBMUJFWSA-N 1 1 322.361 2.173 20 5 DEBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3cc(F)cc(F)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228610937 803380897 /nfs/dbraw/zinc/38/08/97/803380897.db2.gz BPOVZVMVMNLERS-AXTRIDKLSA-N 1 1 312.272 2.056 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@H](Oc3cc(F)cc(F)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228610937 803380902 /nfs/dbraw/zinc/38/09/02/803380902.db2.gz BPOVZVMVMNLERS-AXTRIDKLSA-N 1 1 312.272 2.056 20 5 DEBDMO CC[N@H+]1CCC[C@@H](Oc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001228769932 803408231 /nfs/dbraw/zinc/40/82/31/803408231.db2.gz DZCSJXMZWSSDJM-CYBMUJFWSA-N 1 1 308.334 2.245 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCC(F)CC3)n2)c1 ZINC001331051782 1149368693 /nfs/dbraw/zinc/36/86/93/1149368693.db2.gz VOXQYLCHIVQOEL-UHFFFAOYSA-N 1 1 305.313 2.245 20 5 DEBDMO C[N@H+]1CC[C@@](O)(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001335274100 1150391991 /nfs/dbraw/zinc/39/19/91/1150391991.db2.gz OOGDPBVZNOCCBV-GFCCVEGCSA-N 1 1 319.283 2.092 20 5 DEBDMO C[N@@H+](CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC001464508972 1059145352 /nfs/dbraw/zinc/14/53/52/1059145352.db2.gz QRDZCBWTWVAECC-UHFFFAOYSA-N 1 1 311.769 2.001 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC001472450457 1060509401 /nfs/dbraw/zinc/50/94/01/1060509401.db2.gz KPVOFMUTVZCHBC-GFCCVEGCSA-N 1 1 323.418 2.483 20 5 DEBDMO COc1c(O)ccc(C[NH2+][C@@H]2CCCn3nccc32)c1[N+](=O)[O-] ZINC001474680174 1060916478 /nfs/dbraw/zinc/91/64/78/1060916478.db2.gz MOOKRRCCOFXROX-LLVKDONJSA-N 1 1 318.333 2.130 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[N@H+](C)CC(C)C)n1 ZINC001538135653 1072330448 /nfs/dbraw/zinc/33/04/48/1072330448.db2.gz JBFIDUUXKAXQKM-UHFFFAOYSA-N 1 1 308.382 2.006 20 5 DEBDMO C[N@H+](CCNC(=O)C1CC2(CC2)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001567302701 1064140358 /nfs/dbraw/zinc/14/03/58/1064140358.db2.gz LYEPCHSDKCPOOC-UHFFFAOYSA-N 1 1 317.389 2.333 20 5 DEBDMO C[N@@H+](CCNC(=O)C1CC2(CC2)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001567302701 1064140361 /nfs/dbraw/zinc/14/03/61/1064140361.db2.gz LYEPCHSDKCPOOC-UHFFFAOYSA-N 1 1 317.389 2.333 20 5 DEBDMO O=C(CC1CCC1)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001567826200 1064444414 /nfs/dbraw/zinc/44/44/14/1064444414.db2.gz OSKRQEUUJINFNU-UHFFFAOYSA-N 1 1 317.389 2.333 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@H]2CC2CC2)cc1 ZINC001620607682 1078166302 /nfs/dbraw/zinc/16/63/02/1078166302.db2.gz UPZANRCBLPNSBR-OAHLLOKOSA-N 1 1 306.362 2.475 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@H]2CC2CC2)cc1 ZINC001620607682 1078166307 /nfs/dbraw/zinc/16/63/07/1078166307.db2.gz UPZANRCBLPNSBR-OAHLLOKOSA-N 1 1 306.362 2.475 20 5 DEBDMO CN(CC[N@@H+](C)CCCC1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001496701765 1065657225 /nfs/dbraw/zinc/65/72/25/1065657225.db2.gz HENFISNVFMLZFV-HUUCEWRRSA-N 1 1 311.426 2.012 20 5 DEBDMO CN(CC[N@H+](C)CCCC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496701765 1065657229 /nfs/dbraw/zinc/65/72/29/1065657229.db2.gz HENFISNVFMLZFV-HUUCEWRRSA-N 1 1 311.426 2.012 20 5 DEBDMO CN(CC[N@@H+](C)CCCC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496701765 1065657235 /nfs/dbraw/zinc/65/72/35/1065657235.db2.gz HENFISNVFMLZFV-HUUCEWRRSA-N 1 1 311.426 2.012 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001626679067 1078260284 /nfs/dbraw/zinc/26/02/84/1078260284.db2.gz QHRFTAIRFKCREY-RYUDHWBXSA-N 1 1 320.393 2.027 20 5 DEBDMO Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])ccc2F)[nH+]1 ZINC001635558253 1078453542 /nfs/dbraw/zinc/45/35/42/1078453542.db2.gz HKXPUYDWQCKJFD-UHFFFAOYSA-N 1 1 318.308 2.279 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC001638144963 1078550763 /nfs/dbraw/zinc/55/07/63/1078550763.db2.gz CKJGZJSBQUHTMG-ZDUSSCGKSA-N 1 1 309.341 2.337 20 5 DEBDMO Cc1[nH]c(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001638893311 1078586244 /nfs/dbraw/zinc/58/62/44/1078586244.db2.gz ULFNQPRJCRVCIU-UONOGXRCSA-N 1 1 314.345 2.355 20 5 DEBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)[C@@H]1CC[N@@H+](C)C1 ZINC001641319523 1078706131 /nfs/dbraw/zinc/70/61/31/1078706131.db2.gz QEWCIEVAPQGCNS-LLVKDONJSA-N 1 1 309.341 2.209 20 5 DEBDMO O=C(CCC1CC1)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001267679073 1079368417 /nfs/dbraw/zinc/36/84/17/1079368417.db2.gz LBBXQHNYHSGBAJ-UHFFFAOYSA-N 1 1 317.389 2.333 20 5 DEBDMO CC1(C)CCC[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590095890 1076562936 /nfs/dbraw/zinc/56/29/36/1076562936.db2.gz CKZOENISULLCLQ-UHFFFAOYSA-N 1 1 302.338 2.149 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001595333410 1077060677 /nfs/dbraw/zinc/06/06/77/1077060677.db2.gz ATPSABYNLYOIJZ-QMTHXVAHSA-N 1 1 321.352 2.255 20 5 DEBDMO C[NH+](C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC001595864302 1077070239 /nfs/dbraw/zinc/07/02/39/1077070239.db2.gz NOVTYBIGDPRWEA-GFCCVEGCSA-N 1 1 323.740 2.213 20 5 DEBDMO CSc1cccc(C(=O)N[C@H]2C[N@@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC001597313394 1077092587 /nfs/dbraw/zinc/09/25/87/1077092587.db2.gz LVVJQQVINBKBMJ-LBPRGKRZSA-N 1 1 323.418 2.387 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC001608172553 1077602268 /nfs/dbraw/zinc/60/22/68/1077602268.db2.gz RASNJAXUYTWZHI-LBPRGKRZSA-N 1 1 323.418 2.483 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001608184449 1077604362 /nfs/dbraw/zinc/60/43/62/1077604362.db2.gz SOJQATRFOSTJNZ-CQSZACIVSA-N 1 1 323.368 2.219 20 5 DEBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609108795 1077763809 /nfs/dbraw/zinc/76/38/09/1077763809.db2.gz VPLKHJMFAMGTMV-VIFPVBQESA-N 1 1 302.338 2.005 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001652342347 1079871268 /nfs/dbraw/zinc/87/12/68/1079871268.db2.gz LKQKVRKXBKXKLL-GFCCVEGCSA-N 1 1 301.350 2.068 20 5 DEBDMO CC(C)c1ccc(C[NH2+][C@@H](CO)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC001657095919 1080155104 /nfs/dbraw/zinc/15/51/04/1080155104.db2.gz FSQOJPBRJOUYHE-HNNXBMFYSA-N 1 1 318.377 2.275 20 5 DEBDMO C[N@@H+](CCC1CC1)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001667414020 1081250395 /nfs/dbraw/zinc/25/03/95/1081250395.db2.gz VKVKGNUAVHCXKI-HZPDHXFCSA-N 1 1 323.437 2.012 20 5 DEBDMO C[N@H+](CCC1CC1)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001667414020 1081250401 /nfs/dbraw/zinc/25/04/01/1081250401.db2.gz VKVKGNUAVHCXKI-HZPDHXFCSA-N 1 1 323.437 2.012 20 5 DEBDMO C[N@@H+](CCC1CC1)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001667414020 1081250407 /nfs/dbraw/zinc/25/04/07/1081250407.db2.gz VKVKGNUAVHCXKI-HZPDHXFCSA-N 1 1 323.437 2.012 20 5 DEBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCCCC1 ZINC001266560271 1082158339 /nfs/dbraw/zinc/15/83/39/1082158339.db2.gz GXPZSVVGMMIMPB-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO CCC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCCCC1 ZINC001266560271 1082158341 /nfs/dbraw/zinc/15/83/41/1082158341.db2.gz GXPZSVVGMMIMPB-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO CCC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCCCC1 ZINC001266560271 1082158345 /nfs/dbraw/zinc/15/83/45/1082158345.db2.gz GXPZSVVGMMIMPB-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO CCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001671049889 1084231848 /nfs/dbraw/zinc/23/18/48/1084231848.db2.gz FPATWQBZTKRCMU-HUUCEWRRSA-N 1 1 323.437 2.156 20 5 DEBDMO COc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC001336886239 1142614555 /nfs/dbraw/zinc/61/45/55/1142614555.db2.gz LRRLMJXXVSXTMI-CKYFFXLPSA-N 1 1 309.341 2.495 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ncnc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC001336887204 1142615870 /nfs/dbraw/zinc/61/58/70/1142615870.db2.gz UAILLKOTXPGDIW-XEGUGMAKSA-N 1 1 313.361 2.290 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001337558525 1142768469 /nfs/dbraw/zinc/76/84/69/1142768469.db2.gz RHVUDZLPDRMOCF-HNNXBMFYSA-N 1 1 305.378 2.128 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(Cl)c3[N+](=O)[O-])[C@@H]2C1 ZINC001338459417 1142857177 /nfs/dbraw/zinc/85/71/77/1142857177.db2.gz DAGYDYGGEXLGPU-UFGOTCBOSA-N 1 1 323.780 2.318 20 5 DEBDMO CN(C)CCC[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476414 1143128482 /nfs/dbraw/zinc/12/84/82/1143128482.db2.gz QXVIANUOEHHDDE-UHFFFAOYSA-N 1 1 320.437 2.447 20 5 DEBDMO CN(C)CCC[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476414 1143128501 /nfs/dbraw/zinc/12/85/01/1143128501.db2.gz QXVIANUOEHHDDE-UHFFFAOYSA-N 1 1 320.437 2.447 20 5 DEBDMO CN1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465851 1143129404 /nfs/dbraw/zinc/12/94/04/1143129404.db2.gz NLBQLKQILATLJC-AWEZNQCLSA-N 1 1 318.421 2.105 20 5 DEBDMO CO[C@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254474666 1143131352 /nfs/dbraw/zinc/13/13/52/1143131352.db2.gz RQTJSUKBTYWPLT-INIZCTEOSA-N 1 1 305.378 2.284 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@H]3CO)CC2)cc1 ZINC001254473404 1143133585 /nfs/dbraw/zinc/13/35/85/1143133585.db2.gz CXUCMWJYCZHTBI-INIZCTEOSA-N 1 1 305.378 2.020 20 5 DEBDMO COC[C@]12COC[C@H]1C[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254557218 1143245274 /nfs/dbraw/zinc/24/52/74/1143245274.db2.gz ORYNQWYCDDFJHB-YSVLISHTSA-N 1 1 320.389 2.121 20 5 DEBDMO CCOC(=O)[C@H]1CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254560083 1143247434 /nfs/dbraw/zinc/24/74/34/1143247434.db2.gz OZXZVNOAYDSEFY-JSGCOSHPSA-N 1 1 306.362 2.411 20 5 DEBDMO CCOC(=O)[C@@H]1CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254560081 1143249531 /nfs/dbraw/zinc/24/95/31/1143249531.db2.gz OZXZVNOAYDSEFY-GXTWGEPZSA-N 1 1 306.362 2.411 20 5 DEBDMO CCOC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001254564334 1143250125 /nfs/dbraw/zinc/25/01/25/1143250125.db2.gz KFTCERYOOZMKPS-YYWXWVFPSA-N 1 1 318.373 2.267 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ncn(C)c2C1 ZINC001254570905 1143252071 /nfs/dbraw/zinc/25/20/71/1143252071.db2.gz QQDOUJLYOVBGMW-LBPRGKRZSA-N 1 1 300.362 2.318 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H](N3CCCC3)C1)C2 ZINC001254598070 1143271361 /nfs/dbraw/zinc/27/13/61/1143271361.db2.gz HBUDMSBRRKIYAX-DLBZAZTESA-N 1 1 301.390 2.232 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H](N3CCCC3)C1)C2 ZINC001254598070 1143271366 /nfs/dbraw/zinc/27/13/66/1143271366.db2.gz HBUDMSBRRKIYAX-DLBZAZTESA-N 1 1 301.390 2.232 20 5 DEBDMO CC[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCN(C)CC1 ZINC001254598052 1143272261 /nfs/dbraw/zinc/27/22/61/1143272261.db2.gz GYFLCLZTUWNFQK-QGZVFWFLSA-N 1 1 303.406 2.478 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@](O)(CF)C1)C2 ZINC001254599306 1143274501 /nfs/dbraw/zinc/27/45/01/1143274501.db2.gz NMRZBTKZNXCIIK-HOTGVXAUSA-N 1 1 308.353 2.249 20 5 DEBDMO CC[N@@H+](CCn1ccnc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611690 1143282609 /nfs/dbraw/zinc/28/26/09/1143282609.db2.gz RMSKDHPHBYKFRV-MRXNPFEDSA-N 1 1 300.362 2.281 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001261263651 1144228933 /nfs/dbraw/zinc/22/89/33/1144228933.db2.gz OWOUJQDAVASZIY-GDBMZVCRSA-N 1 1 307.394 2.044 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001261263654 1144229197 /nfs/dbraw/zinc/22/91/97/1144229197.db2.gz OWOUJQDAVASZIY-ZBFHGGJFSA-N 1 1 307.394 2.044 20 5 DEBDMO COc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001263627012 1144385238 /nfs/dbraw/zinc/38/52/38/1144385238.db2.gz UELRGKPHXYUXEK-NSHDSACASA-N 1 1 322.365 2.067 20 5 DEBDMO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001263627011 1144385315 /nfs/dbraw/zinc/38/53/15/1144385315.db2.gz UELRGKPHXYUXEK-LLVKDONJSA-N 1 1 322.365 2.067 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC001353285540 1151821513 /nfs/dbraw/zinc/82/15/13/1151821513.db2.gz ODADPSNKRKPDOD-ZWKOPEQDSA-N 1 1 323.780 2.318 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC001303469939 1147327799 /nfs/dbraw/zinc/32/77/99/1147327799.db2.gz QUQDNFUMKBNVPV-UHFFFAOYSA-N 1 1 302.334 2.092 20 5 DEBDMO C/C=C(\C)C(=O)NCC[N@@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC001317475725 1147490935 /nfs/dbraw/zinc/49/09/35/1147490935.db2.gz PZTZAENQPIYMLV-YIXHJXPBSA-N 1 1 305.378 2.499 20 5 DEBDMO C/C=C(\C)C(=O)NCC[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC001317475725 1147490940 /nfs/dbraw/zinc/49/09/40/1147490940.db2.gz PZTZAENQPIYMLV-YIXHJXPBSA-N 1 1 305.378 2.499 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1NC)C(C)C ZINC001318195745 1147795276 /nfs/dbraw/zinc/79/52/76/1147795276.db2.gz XTAFINDWRCQBGW-UHFFFAOYSA-N 1 1 308.382 2.097 20 5 DEBDMO CC[N@H+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286543047 219045440 /nfs/dbraw/zinc/04/54/40/219045440.db2.gz OHQHTQBWGHZOAP-NSHDSACASA-N 1 1 311.357 2.269 20 5 DEBDMO CC[C@H](CO)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000295693692 529381893 /nfs/dbraw/zinc/38/18/93/529381893.db2.gz LWYUQKVNMFRYRV-CYBMUJFWSA-N 1 1 319.361 2.495 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000088055967 185238459 /nfs/dbraw/zinc/23/84/59/185238459.db2.gz IARJJZNKGNJMRE-ONGXEEELSA-N 1 1 311.769 2.461 20 5 DEBDMO CCOC(=O)c1cc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000615496269 362621121 /nfs/dbraw/zinc/62/11/21/362621121.db2.gz PNPOZNNOONMELA-NWDGAFQWSA-N 1 1 321.377 2.300 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454459819 535006263 /nfs/dbraw/zinc/00/62/63/535006263.db2.gz DWYIXJSQKPPXGC-LBPRGKRZSA-N 1 1 308.382 2.295 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493314790 535009932 /nfs/dbraw/zinc/00/99/32/535009932.db2.gz DTWJFKYEZLHCCR-MMQHEFTJSA-N 1 1 305.378 2.453 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272691020 210096984 /nfs/dbraw/zinc/09/69/84/210096984.db2.gz XBCIURQZBHNSJF-XMAAMQLLSA-N 1 1 315.373 2.161 20 5 DEBDMO CC1(C)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1O ZINC000279753635 215117355 /nfs/dbraw/zinc/11/73/55/215117355.db2.gz LOXXJIYIPSDBKD-AWEZNQCLSA-N 1 1 317.345 2.453 20 5 DEBDMO CC1(C)C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1O ZINC000279753635 215117359 /nfs/dbraw/zinc/11/73/59/215117359.db2.gz LOXXJIYIPSDBKD-AWEZNQCLSA-N 1 1 317.345 2.453 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000139750362 186023961 /nfs/dbraw/zinc/02/39/61/186023961.db2.gz LBYFDCPZEGCVKI-SNVBAGLBSA-N 1 1 312.757 2.464 20 5 DEBDMO C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000139750500 186023966 /nfs/dbraw/zinc/02/39/66/186023966.db2.gz LBYFDCPZEGCVKI-JTQLQIEISA-N 1 1 312.757 2.464 20 5 DEBDMO C[C@@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000171902783 198005088 /nfs/dbraw/zinc/00/50/88/198005088.db2.gz GBUKYSQZPLVKIU-IUODEOHRSA-N 1 1 318.377 2.145 20 5 DEBDMO C[N@H+]1CC[C@]2(C1)CCCN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000595506513 358468245 /nfs/dbraw/zinc/46/82/45/358468245.db2.gz DVDBMTWRZMTOCY-KRWDZBQOSA-N 1 1 319.405 2.391 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000173772015 198249922 /nfs/dbraw/zinc/24/99/22/198249922.db2.gz GNPKJBCHZHVASX-ZDUSSCGKSA-N 1 1 305.378 2.317 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000173782296 198251177 /nfs/dbraw/zinc/25/11/77/198251177.db2.gz LJOMFQVENNYUGZ-CQSZACIVSA-N 1 1 319.405 2.328 20 5 DEBDMO C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000617700162 363226647 /nfs/dbraw/zinc/22/66/47/363226647.db2.gz VMEUAVOBQMYSSL-APHBMKBZSA-N 1 1 317.389 2.441 20 5 DEBDMO C[N@H+](CCN1CCOCC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174858884 198394262 /nfs/dbraw/zinc/39/42/62/198394262.db2.gz KXHRGXWKMUQOJI-UHFFFAOYSA-N 1 1 313.785 2.012 20 5 DEBDMO C[N@@H+](CCN1CCOCC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174858884 198394264 /nfs/dbraw/zinc/39/42/64/198394264.db2.gz KXHRGXWKMUQOJI-UHFFFAOYSA-N 1 1 313.785 2.012 20 5 DEBDMO NC(=O)CC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174821992 198389273 /nfs/dbraw/zinc/38/92/73/198389273.db2.gz IMECNMPNYSHGQR-UHFFFAOYSA-N 1 1 311.769 2.336 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000617753261 363252942 /nfs/dbraw/zinc/25/29/42/363252942.db2.gz UOLYSQIOTSZKFK-QWHCGFSZSA-N 1 1 305.378 2.251 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cn1 ZINC000027231206 354089798 /nfs/dbraw/zinc/08/97/98/354089798.db2.gz KEXFZODZTRSHKC-UHFFFAOYSA-N 1 1 316.336 2.451 20 5 DEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000834817448 649851516 /nfs/dbraw/zinc/85/15/16/649851516.db2.gz RHICAWRKKPARAJ-ZDUSSCGKSA-N 1 1 315.732 2.022 20 5 DEBDMO Cc1noc(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)c1[N+](=O)[O-] ZINC000595563114 358485747 /nfs/dbraw/zinc/48/57/47/358485747.db2.gz SFVBBYBZAIAECR-NSHDSACASA-N 1 1 313.354 2.347 20 5 DEBDMO COC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000053897493 354445996 /nfs/dbraw/zinc/44/59/96/354445996.db2.gz HCGVUNMOHHPMTO-NSHDSACASA-N 1 1 307.350 2.033 20 5 DEBDMO COCCC[N@@H+](CCOC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000054365867 354460643 /nfs/dbraw/zinc/46/06/43/354460643.db2.gz JOJNPMJGOUEYLC-UHFFFAOYSA-N 1 1 312.366 2.088 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000069475975 354865832 /nfs/dbraw/zinc/86/58/32/354865832.db2.gz BHTDWLUICSGQFE-JOZWUWCOSA-N 1 1 317.389 2.456 20 5 DEBDMO CCOC(=O)CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083688640 355469182 /nfs/dbraw/zinc/46/91/82/355469182.db2.gz XBZHHLIGLZGGGE-UHFFFAOYSA-N 1 1 307.306 2.121 20 5 DEBDMO CCOC(=O)CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083688640 355469186 /nfs/dbraw/zinc/46/91/86/355469186.db2.gz XBZHHLIGLZGGGE-UHFFFAOYSA-N 1 1 307.306 2.121 20 5 DEBDMO C[C@@H](O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000089928094 355546858 /nfs/dbraw/zinc/54/68/58/355546858.db2.gz NZNKUUPUQXTERH-OLZOCXBDSA-N 1 1 321.377 2.016 20 5 DEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000087329465 355508268 /nfs/dbraw/zinc/50/82/68/355508268.db2.gz ZXWDWDKOXORTLV-OAHLLOKOSA-N 1 1 317.389 2.128 20 5 DEBDMO Cc1cccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000141861437 355892202 /nfs/dbraw/zinc/89/22/02/355892202.db2.gz CJVJPOWRFVYLAD-ZDUSSCGKSA-N 1 1 303.362 2.214 20 5 DEBDMO C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000179263205 356019252 /nfs/dbraw/zinc/01/92/52/356019252.db2.gz KTPRGPSOLSLYHF-BXUZGUMPSA-N 1 1 323.418 2.209 20 5 DEBDMO CC[C@@H](C)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182147978 356111527 /nfs/dbraw/zinc/11/15/27/356111527.db2.gz DJSIZPSAZCUDDC-LLVKDONJSA-N 1 1 300.380 2.099 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182147978 356111532 /nfs/dbraw/zinc/11/15/32/356111532.db2.gz DJSIZPSAZCUDDC-LLVKDONJSA-N 1 1 300.380 2.099 20 5 DEBDMO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682916 356209334 /nfs/dbraw/zinc/20/93/34/356209334.db2.gz QBSCOGIHPYJTNP-KGLIPLIRSA-N 1 1 321.425 2.034 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CO)CC1 ZINC000293006434 356387621 /nfs/dbraw/zinc/38/76/21/356387621.db2.gz DFBWHBUVXBMARO-STQMWFEESA-N 1 1 321.377 2.016 20 5 DEBDMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000081522304 192281931 /nfs/dbraw/zinc/28/19/31/192281931.db2.gz HAYBLVLTNJASRC-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000081522304 192281932 /nfs/dbraw/zinc/28/19/32/192281932.db2.gz HAYBLVLTNJASRC-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO CC[C@H](NC(=O)c1csc(C[NH3+])n1)c1cccc([N+](=O)[O-])c1 ZINC000237055733 202137562 /nfs/dbraw/zinc/13/75/62/202137562.db2.gz SSKYFQFSVREQFD-NSHDSACASA-N 1 1 320.374 2.391 20 5 DEBDMO C[C@@H](CN(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000578905989 356890707 /nfs/dbraw/zinc/89/07/07/356890707.db2.gz JBXJLNGQPVQVIJ-VIFPVBQESA-N 1 1 303.309 2.236 20 5 DEBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000581114258 357132477 /nfs/dbraw/zinc/13/24/77/357132477.db2.gz KHEKSVXZVQYMBM-OBJOEFQTSA-N 1 1 305.378 2.297 20 5 DEBDMO CCOc1cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)ccc1[N+](=O)[O-] ZINC000276848507 213131825 /nfs/dbraw/zinc/13/18/25/213131825.db2.gz DFVQERHOCIPLRL-MQJDWESPSA-N 1 1 314.407 2.192 20 5 DEBDMO CCOc1cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)ccc1[N+](=O)[O-] ZINC000276848507 213131828 /nfs/dbraw/zinc/13/18/28/213131828.db2.gz DFVQERHOCIPLRL-MQJDWESPSA-N 1 1 314.407 2.192 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000581928851 357268902 /nfs/dbraw/zinc/26/89/02/357268902.db2.gz WCCHOAASYNKWJT-CQSZACIVSA-N 1 1 320.393 2.221 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000591515453 357732324 /nfs/dbraw/zinc/73/23/24/357732324.db2.gz KEJLIASTEVHCET-QGZVFWFLSA-N 1 1 317.389 2.379 20 5 DEBDMO CC[NH+](CC)C[C@@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591739558 357755978 /nfs/dbraw/zinc/75/59/78/357755978.db2.gz HOPCNRKFEANDMH-CYBMUJFWSA-N 1 1 322.409 2.243 20 5 DEBDMO CC[N@H+](CCSC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000592200140 357850176 /nfs/dbraw/zinc/85/01/76/357850176.db2.gz KWSMIMHLTNZKGN-UHFFFAOYSA-N 1 1 311.407 2.243 20 5 DEBDMO CC[N@@H+](CCSC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000592200140 357850177 /nfs/dbraw/zinc/85/01/77/357850177.db2.gz KWSMIMHLTNZKGN-UHFFFAOYSA-N 1 1 311.407 2.243 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CNc2ccnn2C1 ZINC000592511977 357890521 /nfs/dbraw/zinc/89/05/21/357890521.db2.gz VNCKVMIUMNMCFV-ZDUSSCGKSA-N 1 1 315.377 2.008 20 5 DEBDMO CC(C)OC1CC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000459365310 283299575 /nfs/dbraw/zinc/29/95/75/283299575.db2.gz ADPOSAGXJBCJLM-LRVUVFPRSA-N 1 1 320.393 2.432 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C ZINC000593187667 358029553 /nfs/dbraw/zinc/02/95/53/358029553.db2.gz NLZIBVBXKGXOTC-XQQFMLRXSA-N 1 1 305.378 2.077 20 5 DEBDMO O=C(CC[N@@H+]1CCCCC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000594017432 358189806 /nfs/dbraw/zinc/18/98/06/358189806.db2.gz ZRWHSYPIAJWBBZ-ZDUSSCGKSA-N 1 1 321.377 2.160 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@H]2CO)c2c(c1)COCO2 ZINC000594014988 358189116 /nfs/dbraw/zinc/18/91/16/358189116.db2.gz RBXFZJSBHPLGGC-AWEZNQCLSA-N 1 1 322.361 2.198 20 5 DEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594198166 358221584 /nfs/dbraw/zinc/22/15/84/358221584.db2.gz DPWQHYKEWCGLIN-ZFWWWQNUSA-N 1 1 303.362 2.342 20 5 DEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1csc([N+](=O)[O-])c1 ZINC000594204967 358223222 /nfs/dbraw/zinc/22/32/22/358223222.db2.gz YZOLRGMBMZQHRE-NWDGAFQWSA-N 1 1 309.391 2.403 20 5 DEBDMO CNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595029193 358380516 /nfs/dbraw/zinc/38/05/16/358380516.db2.gz IZTAPSFPBXDVRV-RISCZKNCSA-N 1 1 323.393 2.415 20 5 DEBDMO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595050815 358383979 /nfs/dbraw/zinc/38/39/79/358383979.db2.gz LAEXDSYWHXEVMZ-PSOPSSQASA-N 1 1 310.350 2.058 20 5 DEBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000595671526 358518219 /nfs/dbraw/zinc/51/82/19/358518219.db2.gz SROWSURYAZTBOX-CJNGLKHVSA-N 1 1 308.378 2.457 20 5 DEBDMO O=C(NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1)C1CC1 ZINC000595290127 358413178 /nfs/dbraw/zinc/41/31/78/358413178.db2.gz KAQFHXJUYXEHJN-UHFFFAOYSA-N 1 1 321.352 2.225 20 5 DEBDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595324665 358423074 /nfs/dbraw/zinc/42/30/74/358423074.db2.gz FLTDDTUATBVRKQ-GFCCVEGCSA-N 1 1 312.341 2.219 20 5 DEBDMO CC1(C)C[C@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CO1 ZINC000595370814 358432855 /nfs/dbraw/zinc/43/28/55/358432855.db2.gz JPSZBTJZWYVWNS-AAEUAGOBSA-N 1 1 306.366 2.044 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000595804677 358552720 /nfs/dbraw/zinc/55/27/20/358552720.db2.gz BSKXQQGKNSNIMO-CQSZACIVSA-N 1 1 320.393 2.221 20 5 DEBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000595907535 358577560 /nfs/dbraw/zinc/57/75/60/358577560.db2.gz AEDFWUWXDCESIC-QWHCGFSZSA-N 1 1 308.378 2.312 20 5 DEBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595743121 358537425 /nfs/dbraw/zinc/53/74/25/358537425.db2.gz QLHWHTGXIDDHKE-LBPRGKRZSA-N 1 1 300.742 2.095 20 5 DEBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595743121 358537429 /nfs/dbraw/zinc/53/74/29/358537429.db2.gz QLHWHTGXIDDHKE-LBPRGKRZSA-N 1 1 300.742 2.095 20 5 DEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC000595741060 358537935 /nfs/dbraw/zinc/53/79/35/358537935.db2.gz URMJCFOGVQCKLI-GDBMZVCRSA-N 1 1 322.409 2.054 20 5 DEBDMO O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000596296082 358662546 /nfs/dbraw/zinc/66/25/46/358662546.db2.gz GLODYELYAMYKRA-VXGBXAGGSA-N 1 1 310.785 2.494 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598651807 359277639 /nfs/dbraw/zinc/27/76/39/359277639.db2.gz VYTOKGHUAQODIF-TZMCWYRMSA-N 1 1 308.378 2.444 20 5 DEBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cnnn2CC)cc1[N+](=O)[O-] ZINC000599061996 359393356 /nfs/dbraw/zinc/39/33/56/359393356.db2.gz NOCQFCRUQIIBDP-NSHDSACASA-N 1 1 319.365 2.456 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599622712 359545310 /nfs/dbraw/zinc/54/53/10/359545310.db2.gz IMDZUYXRFSFEAH-RRQGHBQHSA-N 1 1 322.405 2.277 20 5 DEBDMO CSC[C@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000187805312 200158736 /nfs/dbraw/zinc/15/87/36/200158736.db2.gz RHVAGGTWRWWINR-LLVKDONJSA-N 1 1 304.799 2.404 20 5 DEBDMO CSC[C@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000187805312 200158738 /nfs/dbraw/zinc/15/87/38/200158738.db2.gz RHVAGGTWRWWINR-LLVKDONJSA-N 1 1 304.799 2.404 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601020929 359897352 /nfs/dbraw/zinc/89/73/52/359897352.db2.gz JZSOKBJZHSKZTH-LLVKDONJSA-N 1 1 309.341 2.196 20 5 DEBDMO CS[C@H](CO)[C@@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601120415 359929738 /nfs/dbraw/zinc/92/97/38/359929738.db2.gz HUISXJSVYOXMDF-YMTOWFKASA-N 1 1 307.375 2.089 20 5 DEBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1ccsc1[N+](=O)[O-])C2 ZINC000601185347 359956340 /nfs/dbraw/zinc/95/63/40/359956340.db2.gz QAFBBVFZCLBVBV-JTQLQIEISA-N 1 1 322.390 2.123 20 5 DEBDMO C[C@H](CO[C@H]1CCOC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601127999 359932396 /nfs/dbraw/zinc/93/23/96/359932396.db2.gz YICGVYUGKYTNBV-YPMHNXCESA-N 1 1 317.345 2.171 20 5 DEBDMO C[N@H+]1CCC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602546768 360427192 /nfs/dbraw/zinc/42/71/92/360427192.db2.gz FRDFLHDNLQIOQZ-LLVKDONJSA-N 1 1 304.350 2.167 20 5 DEBDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000602729079 360520808 /nfs/dbraw/zinc/52/08/08/360520808.db2.gz JURMTWHTPHURMJ-BONVTDFDSA-N 1 1 310.325 2.365 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000602794461 360558078 /nfs/dbraw/zinc/55/80/78/360558078.db2.gz BVNGCECIZMZDDL-UHFFFAOYSA-N 1 1 317.393 2.298 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CCN1CCC[N@H+](C2CCCC2)CC1 ZINC000602780732 360549701 /nfs/dbraw/zinc/54/97/01/360549701.db2.gz QXHJGMZADSMWCW-UHFFFAOYSA-N 1 1 321.425 2.050 20 5 DEBDMO Cc1[nH+]ccn1Cc1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603217726 360751726 /nfs/dbraw/zinc/75/17/26/360751726.db2.gz JPGAAPOFLUBGCD-LLVKDONJSA-N 1 1 312.333 2.349 20 5 DEBDMO O=[N+]([O-])c1ccccc1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000603848322 360865013 /nfs/dbraw/zinc/86/50/13/360865013.db2.gz LLQSTZQEKGHALB-INIZCTEOSA-N 1 1 319.405 2.282 20 5 DEBDMO C[N@@H+](CCCOCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000281409267 216279617 /nfs/dbraw/zinc/27/96/17/216279617.db2.gz OBQDITSCEXFGSJ-UHFFFAOYSA-N 1 1 318.377 2.330 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000292710112 223212393 /nfs/dbraw/zinc/21/23/93/223212393.db2.gz LJYWYMCEUBWNGH-LSDHHAIUSA-N 1 1 306.362 2.008 20 5 DEBDMO C[C@@]1(O)CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000619432117 363791723 /nfs/dbraw/zinc/79/17/23/363791723.db2.gz WWZXQJNOVDSOJO-MRXNPFEDSA-N 1 1 322.361 2.103 20 5 DEBDMO COC[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610605246 361430722 /nfs/dbraw/zinc/43/07/22/361430722.db2.gz SNHBNUAZCUSPCZ-CYBMUJFWSA-N 1 1 318.333 2.256 20 5 DEBDMO COC[C@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610605246 361430728 /nfs/dbraw/zinc/43/07/28/361430728.db2.gz SNHBNUAZCUSPCZ-CYBMUJFWSA-N 1 1 318.333 2.256 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611303629 361576949 /nfs/dbraw/zinc/57/69/49/361576949.db2.gz PMZDRGMBWHYWMR-WDEREUQCSA-N 1 1 304.350 2.260 20 5 DEBDMO CC[N@H+]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611704533 361662085 /nfs/dbraw/zinc/66/20/85/361662085.db2.gz BNHSVWDOHXDBGW-UHFFFAOYSA-N 1 1 301.350 2.070 20 5 DEBDMO Cc1cccc(NCCN2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000281558960 216383107 /nfs/dbraw/zinc/38/31/07/216383107.db2.gz CUWREGDBRLNONA-UHFFFAOYSA-N 1 1 306.410 2.341 20 5 DEBDMO O=C1NCCCC[C@@H]1[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545473 243100530 /nfs/dbraw/zinc/10/05/30/243100530.db2.gz HMOQYBVIJBSECU-ZBFHGGJFSA-N 1 1 317.389 2.443 20 5 DEBDMO CCCNC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451578758 243150786 /nfs/dbraw/zinc/15/07/86/243150786.db2.gz XMINYKFBOGLWBI-CQSZACIVSA-N 1 1 305.378 2.300 20 5 DEBDMO CCCNC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451578758 243150794 /nfs/dbraw/zinc/15/07/94/243150794.db2.gz XMINYKFBOGLWBI-CQSZACIVSA-N 1 1 305.378 2.300 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1 ZINC000451716990 243355215 /nfs/dbraw/zinc/35/52/15/243355215.db2.gz VGMVNMKOOSZLAN-FMKPAKJESA-N 1 1 320.389 2.457 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCc3ccccc3CC2)c1 ZINC000451716150 243355255 /nfs/dbraw/zinc/35/52/55/243355255.db2.gz YLHYZFPBCOLYBO-UHFFFAOYSA-N 1 1 300.362 2.282 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1[N+](=O)[O-] ZINC000268110634 284062562 /nfs/dbraw/zinc/06/25/62/284062562.db2.gz IFYAPRPGRXZMQB-CHWSQXEVSA-N 1 1 307.325 2.091 20 5 DEBDMO CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000093317473 193229640 /nfs/dbraw/zinc/22/96/40/193229640.db2.gz MHAIHZDUDVUDJO-LBPRGKRZSA-N 1 1 309.366 2.199 20 5 DEBDMO CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000093317473 193229642 /nfs/dbraw/zinc/22/96/42/193229642.db2.gz MHAIHZDUDVUDJO-LBPRGKRZSA-N 1 1 309.366 2.199 20 5 DEBDMO CCOCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000093317477 193229787 /nfs/dbraw/zinc/22/97/87/193229787.db2.gz MHAIHZDUDVUDJO-GFCCVEGCSA-N 1 1 309.366 2.199 20 5 DEBDMO CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000093317477 193229789 /nfs/dbraw/zinc/22/97/89/193229789.db2.gz MHAIHZDUDVUDJO-GFCCVEGCSA-N 1 1 309.366 2.199 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cncs3)C2)nc1 ZINC000093534289 193266667 /nfs/dbraw/zinc/26/66/67/193266667.db2.gz SWUIBJDHKWQTIF-SNVBAGLBSA-N 1 1 305.363 2.133 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cncs3)C2)nc1 ZINC000093534289 193266669 /nfs/dbraw/zinc/26/66/69/193266669.db2.gz SWUIBJDHKWQTIF-SNVBAGLBSA-N 1 1 305.363 2.133 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000070197416 284194463 /nfs/dbraw/zinc/19/44/63/284194463.db2.gz UOONWJNZJBFBFL-VIFPVBQESA-N 1 1 309.753 2.215 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c1 ZINC000282895728 217309087 /nfs/dbraw/zinc/30/90/87/217309087.db2.gz SXTJDASFAGBQSK-RYUDHWBXSA-N 1 1 321.377 2.158 20 5 DEBDMO Cc1cccc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000159918987 197373825 /nfs/dbraw/zinc/37/38/25/197373825.db2.gz DGVQCLUYKHNVQL-HNNXBMFYSA-N 1 1 301.350 2.332 20 5 DEBDMO C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000492542671 249085661 /nfs/dbraw/zinc/08/56/61/249085661.db2.gz ZCDSDJDPWUKTOY-KTRBRXNASA-N 1 1 315.373 2.375 20 5 DEBDMO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000274007988 211265711 /nfs/dbraw/zinc/26/57/11/211265711.db2.gz UOJDRBPLOZAMFF-GXTWGEPZSA-N 1 1 313.361 2.460 20 5 DEBDMO C[N@@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000110732971 194354763 /nfs/dbraw/zinc/35/47/63/194354763.db2.gz UBKGLDFWCJVIPX-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000110732971 194354764 /nfs/dbraw/zinc/35/47/64/194354764.db2.gz UBKGLDFWCJVIPX-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000054620760 183946022 /nfs/dbraw/zinc/94/60/22/183946022.db2.gz YJUQMINJNADKHL-LLVKDONJSA-N 1 1 302.334 2.166 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000066177867 184395070 /nfs/dbraw/zinc/39/50/70/184395070.db2.gz MBUXGJYBXBZKLW-LBPRGKRZSA-N 1 1 308.382 2.124 20 5 DEBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])cc1OC ZINC000119756194 195030555 /nfs/dbraw/zinc/03/05/55/195030555.db2.gz KOMCBFBXXYZBEF-GFCCVEGCSA-N 1 1 324.377 2.470 20 5 DEBDMO C[N@@H+]1CCC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158777048 197301111 /nfs/dbraw/zinc/30/11/11/197301111.db2.gz BIJDQZAUICEYQO-PBHICJAKSA-N 1 1 319.405 2.390 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158777048 197301112 /nfs/dbraw/zinc/30/11/12/197301112.db2.gz BIJDQZAUICEYQO-PBHICJAKSA-N 1 1 319.405 2.390 20 5 DEBDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000120637760 195206622 /nfs/dbraw/zinc/20/66/22/195206622.db2.gz RLSTXUALRNRYRZ-JSGCOSHPSA-N 1 1 305.378 2.315 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000120726785 195225786 /nfs/dbraw/zinc/22/57/86/195225786.db2.gz CSURDDIFFYMOMD-MVQLRYDASA-N 1 1 317.389 2.407 20 5 DEBDMO Cc1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000289786784 221226101 /nfs/dbraw/zinc/22/61/01/221226101.db2.gz RVTQXQCQZMJYCD-ZBFHGGJFSA-N 1 1 319.405 2.198 20 5 DEBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000120955973 195270463 /nfs/dbraw/zinc/27/04/63/195270463.db2.gz VEWDMRFRLQSUMV-YPMHNXCESA-N 1 1 321.377 2.016 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000355382327 133022832 /nfs/dbraw/zinc/02/28/32/133022832.db2.gz LNHMMRGGMHSUJO-DGCLKSJQSA-N 1 1 322.361 2.234 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000355382327 133022833 /nfs/dbraw/zinc/02/28/33/133022833.db2.gz LNHMMRGGMHSUJO-DGCLKSJQSA-N 1 1 322.361 2.234 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000360466218 133184455 /nfs/dbraw/zinc/18/44/55/133184455.db2.gz KBFJANSHQGECAD-LBPRGKRZSA-N 1 1 306.322 2.178 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CSCC[NH+]1CCOCC1 ZINC000362339713 133224954 /nfs/dbraw/zinc/22/49/54/133224954.db2.gz MVJAPLDVVWKIKY-UHFFFAOYSA-N 1 1 312.391 2.169 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cnn(C)c1C ZINC000193140185 145082933 /nfs/dbraw/zinc/08/29/33/145082933.db2.gz LWYJVDPBFVUKGK-SNVBAGLBSA-N 1 1 304.350 2.496 20 5 DEBDMO O=C(CCc1cnc[nH]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000193839867 145091095 /nfs/dbraw/zinc/09/10/95/145091095.db2.gz QXVWLOOFJRRXNU-UHFFFAOYSA-N 1 1 308.725 2.220 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000247462871 145137748 /nfs/dbraw/zinc/13/77/48/145137748.db2.gz UNVFJAPHCQQPJD-MLGOLLRUSA-N 1 1 319.361 2.034 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000247462871 145137750 /nfs/dbraw/zinc/13/77/50/145137750.db2.gz UNVFJAPHCQQPJD-MLGOLLRUSA-N 1 1 319.361 2.034 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000346406956 146077110 /nfs/dbraw/zinc/07/71/10/146077110.db2.gz ZUGDKVDXWLHUSW-NSHDSACASA-N 1 1 322.365 2.161 20 5 DEBDMO Cc1c(NC(=O)c2cc(C[NH+](C)C)on2)cccc1[N+](=O)[O-] ZINC000359155752 147272275 /nfs/dbraw/zinc/27/22/75/147272275.db2.gz KZSANAWAWANLKL-UHFFFAOYSA-N 1 1 304.306 2.205 20 5 DEBDMO O=C(C[N@H+]1CC[C@H](C2CC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000372329230 148194645 /nfs/dbraw/zinc/19/46/45/148194645.db2.gz BNCZXQOBPUXWJD-AWEZNQCLSA-N 1 1 315.373 2.216 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000375456860 148374952 /nfs/dbraw/zinc/37/49/52/148374952.db2.gz BCVPWDYLMYSBLZ-XJKCOSOUSA-N 1 1 322.409 2.234 20 5 DEBDMO CCCC[N@@H+](C)CCNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000112333577 401739218 /nfs/dbraw/zinc/73/92/18/401739218.db2.gz PISDMPQIGBKTDX-UHFFFAOYSA-N 1 1 308.382 2.098 20 5 DEBDMO Cc1ccn(Cc2[nH+]ccn2Cc2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000129731556 401808423 /nfs/dbraw/zinc/80/84/23/401808423.db2.gz SJORMBBVEQJVKE-UHFFFAOYSA-N 1 1 324.340 2.358 20 5 DEBDMO C[C@H]1SCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000112645408 401752499 /nfs/dbraw/zinc/75/24/99/401752499.db2.gz OMGLXXOAHJSKLT-VHSXEESVSA-N 1 1 309.391 2.020 20 5 DEBDMO C[C@H]1SCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000112645408 401752501 /nfs/dbraw/zinc/75/25/01/401752501.db2.gz OMGLXXOAHJSKLT-VHSXEESVSA-N 1 1 309.391 2.020 20 5 DEBDMO COCCOC[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000075950471 401774244 /nfs/dbraw/zinc/77/42/44/401774244.db2.gz QBSDUJYDFJNPHV-OAHLLOKOSA-N 1 1 308.378 2.122 20 5 DEBDMO COC(=O)CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000113507044 401780753 /nfs/dbraw/zinc/78/07/53/401780753.db2.gz IWVDYXUMDLVNOH-UHFFFAOYSA-N 1 1 310.350 2.247 20 5 DEBDMO O=[N+]([O-])c1cc2c(nc1NCC[NH+]1CCSCC1)CCCC2 ZINC000566150560 292211204 /nfs/dbraw/zinc/21/12/04/292211204.db2.gz VZUOWRZIDYEDJE-UHFFFAOYSA-N 1 1 322.434 2.329 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1C(C)(C)O ZINC000119052751 401922043 /nfs/dbraw/zinc/92/20/43/401922043.db2.gz FPXQQZASHYKZPJ-AWEZNQCLSA-N 1 1 321.377 2.077 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC3(C2)CCCCCC3)n1 ZINC000119591279 401960819 /nfs/dbraw/zinc/96/08/19/401960819.db2.gz HKOHQZPIETVPNC-UHFFFAOYSA-N 1 1 308.382 2.217 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC3(C2)CCCCCC3)n1 ZINC000119591279 401960823 /nfs/dbraw/zinc/96/08/23/401960823.db2.gz HKOHQZPIETVPNC-UHFFFAOYSA-N 1 1 308.382 2.217 20 5 DEBDMO CC(C)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000045751654 401961162 /nfs/dbraw/zinc/96/11/62/401961162.db2.gz CHNJMWTWNHTTLA-OAHLLOKOSA-N 1 1 308.378 2.455 20 5 DEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCC(CO)CC1 ZINC000089923661 401973488 /nfs/dbraw/zinc/97/34/88/401973488.db2.gz 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WARWOBGINXVXLA-LRDDRELGSA-N 1 1 321.377 2.077 20 5 DEBDMO CC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000425925466 405330652 /nfs/dbraw/zinc/33/06/52/405330652.db2.gz WARWOBGINXVXLA-LRDDRELGSA-N 1 1 321.377 2.077 20 5 DEBDMO CC(C)NC(=O)c1ccc(NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000427379124 405402241 /nfs/dbraw/zinc/40/22/41/405402241.db2.gz HGLNNXWXNJCKDL-UHFFFAOYSA-N 1 1 322.409 2.485 20 5 DEBDMO C[C@@H]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000429568101 405437780 /nfs/dbraw/zinc/43/77/80/405437780.db2.gz HSYQXRIEZDRBPJ-IPYPFGDCSA-N 1 1 308.378 2.455 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000421235017 405458854 /nfs/dbraw/zinc/45/88/54/405458854.db2.gz GOZWNLPPCXOXSY-LLVKDONJSA-N 1 1 310.329 2.292 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421759997 405633777 /nfs/dbraw/zinc/63/37/77/405633777.db2.gz VYFRWUZHNLEGLS-UHFFFAOYSA-N 1 1 302.334 2.147 20 5 DEBDMO COc1cc(C[NH2+]Cc2cnccc2C)c([N+](=O)[O-])cc1O ZINC000449524724 405597287 /nfs/dbraw/zinc/59/72/87/405597287.db2.gz PIOOURZOFNNOGO-UHFFFAOYSA-N 1 1 303.318 2.302 20 5 DEBDMO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000494209659 405662886 /nfs/dbraw/zinc/66/28/86/405662886.db2.gz TYJWFFBLXCFRIA-ZUZCIYMTSA-N 1 1 318.333 2.302 20 5 DEBDMO Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457136272 405719101 /nfs/dbraw/zinc/71/91/01/405719101.db2.gz WTSOCQZQZODWRB-ZDUSSCGKSA-N 1 1 305.378 2.458 20 5 DEBDMO C[C@H]1COCC[N@@H+]1CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432331918 405750602 /nfs/dbraw/zinc/75/06/02/405750602.db2.gz RSUQQRBZOSKYGK-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H]1COCC[N@H+]1CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432331918 405750604 /nfs/dbraw/zinc/75/06/04/405750604.db2.gz RSUQQRBZOSKYGK-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000560433467 405815728 /nfs/dbraw/zinc/81/57/28/405815728.db2.gz SPIJHRAXRQOSDU-LBPRGKRZSA-N 1 1 310.329 2.292 20 5 DEBDMO CC[C@@]1(O)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000495242642 405852546 /nfs/dbraw/zinc/85/25/46/405852546.db2.gz IUZLTVQUILXOKN-MRXNPFEDSA-N 1 1 321.377 2.079 20 5 DEBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000531385294 405952287 /nfs/dbraw/zinc/95/22/87/405952287.db2.gz ZYEBFNAIYXLRJZ-UHFFFAOYSA-N 1 1 320.393 2.123 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH3+])C[C@H]1C ZINC000567910895 406158782 /nfs/dbraw/zinc/15/87/82/406158782.db2.gz JFANWQPGOWIHRN-OLZOCXBDSA-N 1 1 320.393 2.043 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000487168117 406211267 /nfs/dbraw/zinc/21/12/67/406211267.db2.gz ZPCYXTODJRHIMT-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000570111453 406347521 /nfs/dbraw/zinc/34/75/21/406347521.db2.gz RONHMMGKGWYHCG-HNNXBMFYSA-N 1 1 320.393 2.049 20 5 DEBDMO C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000570376739 406384166 /nfs/dbraw/zinc/38/41/66/406384166.db2.gz NDPPDUDPPKLPTM-NEPJUHHUSA-N 1 1 305.378 2.297 20 5 DEBDMO CNc1c(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000489321345 406391669 /nfs/dbraw/zinc/39/16/69/406391669.db2.gz RNCCTFMAJQQBQD-AWEZNQCLSA-N 1 1 320.393 2.049 20 5 DEBDMO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c3cnccc23)CCO1 ZINC000523079159 406417014 /nfs/dbraw/zinc/41/70/14/406417014.db2.gz KDSRLWKYWOBMBA-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c3cnccc23)CCO1 ZINC000523079159 406417018 /nfs/dbraw/zinc/41/70/18/406417018.db2.gz KDSRLWKYWOBMBA-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO CC(C)[N@@H+](C)CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000490640852 406477715 /nfs/dbraw/zinc/47/77/15/406477715.db2.gz WRUWUZZOXUXUCZ-KTKRTIGZSA-N 1 1 305.378 2.455 20 5 DEBDMO CC[N@@H+](CCNc1c([N+](=O)[O-])ncn1C)CCC(F)(F)F ZINC000491550635 406619349 /nfs/dbraw/zinc/61/93/49/406619349.db2.gz YGZYYLLQPYDQCB-UHFFFAOYSA-N 1 1 309.292 2.015 20 5 DEBDMO CCOc1cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000491611953 406631478 /nfs/dbraw/zinc/63/14/78/406631478.db2.gz FFZKXGBERQODEN-YDHLFZDLSA-N 1 1 306.362 2.196 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@H](C)C2)c1 ZINC000549067335 406574692 /nfs/dbraw/zinc/57/46/92/406574692.db2.gz LQJMNEJBZZZJHJ-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO C[NH+](C)Cc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])ccc1Cl ZINC000549775067 406592326 /nfs/dbraw/zinc/59/23/26/406592326.db2.gz UUZBINSTJIWYLA-UHFFFAOYSA-N 1 1 323.740 2.285 20 5 DEBDMO CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000491686868 406668986 /nfs/dbraw/zinc/66/89/86/406668986.db2.gz SZLAPZQJKWBZNM-SGNXQUTQSA-N 1 1 315.373 2.303 20 5 DEBDMO CCn1nccc1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000555052596 406831425 /nfs/dbraw/zinc/83/14/25/406831425.db2.gz DIWYAKUJJVYGOX-UHFFFAOYSA-N 1 1 300.362 2.412 20 5 DEBDMO COc1cc(C[N@H+](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000131104536 196140909 /nfs/dbraw/zinc/14/09/09/196140909.db2.gz MNOUELFUDWHBBX-MRVPVSSYSA-N 1 1 320.292 2.017 20 5 DEBDMO COc1cc(C[N@@H+](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000131104536 196140911 /nfs/dbraw/zinc/14/09/11/196140911.db2.gz MNOUELFUDWHBBX-MRVPVSSYSA-N 1 1 320.292 2.017 20 5 DEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000133100599 196311897 /nfs/dbraw/zinc/31/18/97/196311897.db2.gz WCHHLGYZICFOJB-OAHLLOKOSA-N 1 1 319.361 2.177 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000408161487 287275463 /nfs/dbraw/zinc/27/54/63/287275463.db2.gz ZRNMXBIFVWAANM-ZIAGYGMSSA-N 1 1 321.425 2.419 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420941888 229817618 /nfs/dbraw/zinc/81/76/18/229817618.db2.gz OKRDSGLTJHTLDO-STQMWFEESA-N 1 1 308.378 2.444 20 5 DEBDMO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000344137969 424986753 /nfs/dbraw/zinc/98/67/53/424986753.db2.gz KGLQVQGJQRSWAT-RYUDHWBXSA-N 1 1 322.361 2.054 20 5 DEBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000344137969 424986756 /nfs/dbraw/zinc/98/67/56/424986756.db2.gz KGLQVQGJQRSWAT-RYUDHWBXSA-N 1 1 322.361 2.054 20 5 DEBDMO CCC[N@H+]1CC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000596516823 425026105 /nfs/dbraw/zinc/02/61/05/425026105.db2.gz HSTADTOLUWRZPC-CYBMUJFWSA-N 1 1 300.362 3.039 20 5 DEBDMO Cc1nc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c(C)[nH+]1 ZINC000443961464 425045480 /nfs/dbraw/zinc/04/54/80/425045480.db2.gz PTJLXPKBLSHNAS-UHFFFAOYSA-N 1 1 312.333 2.798 20 5 DEBDMO CSc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330585621 268857952 /nfs/dbraw/zinc/85/79/52/268857952.db2.gz LJLDUWFDUVYHNI-GHMZBOCLSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330585621 268857954 /nfs/dbraw/zinc/85/79/54/268857954.db2.gz LJLDUWFDUVYHNI-GHMZBOCLSA-N 1 1 323.418 2.481 20 5 DEBDMO CC(C)(C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000429890810 269121406 /nfs/dbraw/zinc/12/14/06/269121406.db2.gz LDBVVJCILWAGCR-LBPRGKRZSA-N 1 1 317.389 2.225 20 5 DEBDMO CCOCCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430192909 269125565 /nfs/dbraw/zinc/12/55/65/269125565.db2.gz DSYHTMZIUYWIRF-HNNXBMFYSA-N 1 1 324.377 2.231 20 5 DEBDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430192909 269125566 /nfs/dbraw/zinc/12/55/66/269125566.db2.gz DSYHTMZIUYWIRF-HNNXBMFYSA-N 1 1 324.377 2.231 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496952274 269270170 /nfs/dbraw/zinc/27/01/70/269270170.db2.gz ZIUMSODEYNBDPS-CHWSQXEVSA-N 1 1 319.361 2.430 20 5 DEBDMO CC(=O)NC[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505807767 269312867 /nfs/dbraw/zinc/31/28/67/269312867.db2.gz DHAXDGJCXAMXEH-GFCCVEGCSA-N 1 1 309.341 2.082 20 5 DEBDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505807767 269312868 /nfs/dbraw/zinc/31/28/68/269312868.db2.gz DHAXDGJCXAMXEH-GFCCVEGCSA-N 1 1 309.341 2.082 20 5 DEBDMO COc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000271098641 274096961 /nfs/dbraw/zinc/09/69/61/274096961.db2.gz OCJXPDOCPFKTIX-MNOVXSKESA-N 1 1 309.341 2.415 20 5 DEBDMO O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CC[N@H+](C4CC4)C3)cc2N1 ZINC000336872806 275018616 /nfs/dbraw/zinc/01/86/16/275018616.db2.gz PXDUFYNWKXAQCY-LLVKDONJSA-N 1 1 316.361 2.128 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000247271243 275035152 /nfs/dbraw/zinc/03/51/52/275035152.db2.gz SGMHYDFPFDKDFH-HUUCEWRRSA-N 1 1 308.403 2.344 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000055400486 278190771 /nfs/dbraw/zinc/19/07/71/278190771.db2.gz ZCOOZKGLZPLYAU-QWHCGFSZSA-N 1 1 305.378 2.445 20 5 DEBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H](C)C1 ZINC000488717601 279008231 /nfs/dbraw/zinc/00/82/31/279008231.db2.gz FAZRINLMFNXNIT-JTNHKYCSSA-N 1 1 322.384 2.483 20 5 DEBDMO Cc1n[nH]c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000299457426 280189517 /nfs/dbraw/zinc/18/95/17/280189517.db2.gz WJGHVJTZZGMMPK-LLVKDONJSA-N 1 1 323.397 2.011 20 5 DEBDMO Cc1nc(N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000365551551 281925457 /nfs/dbraw/zinc/92/54/57/281925457.db2.gz HQLZLTCWUHPZNF-GFCCVEGCSA-N 1 1 301.350 2.416 20 5 DEBDMO C[N@H+]1CC[C@@H]2OCCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284565062 290170182 /nfs/dbraw/zinc/17/01/82/290170182.db2.gz NUCDFAOURREROT-KBPBESRZSA-N 1 1 311.769 2.158 20 5 DEBDMO Cc1cnc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488718532 302351265 /nfs/dbraw/zinc/35/12/65/302351265.db2.gz HGKZYWCETGNKFS-BFHYXJOUSA-N 1 1 304.394 2.465 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000574936633 326203068 /nfs/dbraw/zinc/20/30/68/326203068.db2.gz AXLIVNUPMBALJE-GFCCVEGCSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000574936633 326203071 /nfs/dbraw/zinc/20/30/71/326203071.db2.gz AXLIVNUPMBALJE-GFCCVEGCSA-N 1 1 311.769 2.414 20 5 DEBDMO C[C@@H](C(=O)NCC1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000575229942 326230125 /nfs/dbraw/zinc/23/01/25/326230125.db2.gz YOVFBKOQETUCQW-GFCCVEGCSA-N 1 1 303.362 2.076 20 5 DEBDMO C[C@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000576535024 326300779 /nfs/dbraw/zinc/30/07/79/326300779.db2.gz DVUNOSYBWSPBIB-QWHCGFSZSA-N 1 1 317.389 2.299 20 5 DEBDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000292546910 533811014 /nfs/dbraw/zinc/81/10/14/533811014.db2.gz YFWBEZRAVDUTIB-NSHDSACASA-N 1 1 323.418 2.269 20 5 DEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299686949 534065372 /nfs/dbraw/zinc/06/53/72/534065372.db2.gz XOOKWUHELLVCGU-LLVKDONJSA-N 1 1 307.350 2.274 20 5 DEBDMO CC(C)[N@H+](CCc1nccs1)Cc1c([N+](=O)[O-])ncn1C ZINC000338251534 519651193 /nfs/dbraw/zinc/65/11/93/519651193.db2.gz KAQTVQCUKNZRJK-UHFFFAOYSA-N 1 1 309.395 2.238 20 5 DEBDMO CC(C)[N@@H+](CCc1nccs1)Cc1c([N+](=O)[O-])ncn1C ZINC000338251534 519651195 /nfs/dbraw/zinc/65/11/95/519651195.db2.gz KAQTVQCUKNZRJK-UHFFFAOYSA-N 1 1 309.395 2.238 20 5 DEBDMO CCNC(=O)[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000339319399 521744200 /nfs/dbraw/zinc/74/42/00/521744200.db2.gz FQYNEJNBLSVXKQ-ZDUSSCGKSA-N 1 1 313.785 2.499 20 5 DEBDMO C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000249152500 524591781 /nfs/dbraw/zinc/59/17/81/524591781.db2.gz XZPFYALMTNRBOJ-BZPMIXESSA-N 1 1 306.366 2.044 20 5 DEBDMO CC(C)([NH2+]CC(=O)N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000429237710 527290815 /nfs/dbraw/zinc/29/08/15/527290815.db2.gz LVVPEBKKLSAURG-UHFFFAOYSA-N 1 1 305.378 2.432 20 5 DEBDMO CCN1CC[NH+](C[C@@H](C)CNc2sccc2[N+](=O)[O-])CC1 ZINC000302008977 529147177 /nfs/dbraw/zinc/14/71/77/529147177.db2.gz XLXNVPYTKOFRIR-LBPRGKRZSA-N 1 1 312.439 2.342 20 5 DEBDMO C[NH+](C)Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1Cl ZINC000357974284 536016210 /nfs/dbraw/zinc/01/62/10/536016210.db2.gz ZMRUQWSWSKWPBA-UHFFFAOYSA-N 1 1 323.740 2.285 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@H]1O ZINC000305339366 536307311 /nfs/dbraw/zinc/30/73/11/536307311.db2.gz ORPXNXCHTFEPBG-SWLSCSKDSA-N 1 1 321.377 2.016 20 5 DEBDMO COc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358027393 536898946 /nfs/dbraw/zinc/89/89/46/536898946.db2.gz RBIADXIJEULZCW-SGMGOOAPSA-N 1 1 307.394 2.422 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[N@H+]4CCC[C@H]4CO3)n2)c1 ZINC000923774594 625472290 /nfs/dbraw/zinc/47/22/90/625472290.db2.gz ZWKGNKLXWZGOMU-STQMWFEESA-N 1 1 316.317 2.181 20 5 DEBDMO Cn1ncc([N+](=O)[O-])c1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000891620557 624498322 /nfs/dbraw/zinc/49/83/22/624498322.db2.gz DDQYHKODEXSWSG-UHFFFAOYSA-N 1 1 315.377 2.041 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934431622 624877272 /nfs/dbraw/zinc/87/72/72/624877272.db2.gz GGECVVODAZQAEQ-HZPDHXFCSA-N 1 1 313.357 2.025 20 5 DEBDMO Cc1c(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000929221812 633617926 /nfs/dbraw/zinc/61/79/26/633617926.db2.gz WMXYOIWBZCSQKZ-FZMZJTMJSA-N 1 1 304.350 2.071 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000836698599 650122451 /nfs/dbraw/zinc/12/24/51/650122451.db2.gz PLRUOLMJYVOVSS-SNVBAGLBSA-N 1 1 311.769 2.381 20 5 DEBDMO CC[C@H]1C[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CCCO1 ZINC000894246272 636545528 /nfs/dbraw/zinc/54/55/28/636545528.db2.gz QKBIMBAJSXJTLD-LBPRGKRZSA-N 1 1 310.350 2.310 20 5 DEBDMO CC[C@H]1C[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CCCO1 ZINC000894246272 636545535 /nfs/dbraw/zinc/54/55/35/636545535.db2.gz QKBIMBAJSXJTLD-LBPRGKRZSA-N 1 1 310.350 2.310 20 5 DEBDMO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000923452479 637189509 /nfs/dbraw/zinc/18/95/09/637189509.db2.gz HFUGHBRKMURPCT-LBPRGKRZSA-N 1 1 323.368 2.064 20 5 DEBDMO Cc1cccc(C[N@@H+]2CC[C@@H](Nc3c([N+](=O)[O-])cnn3C)C2)c1 ZINC000894978573 637355907 /nfs/dbraw/zinc/35/59/07/637355907.db2.gz ZDRVJZBGIYPAPE-CQSZACIVSA-N 1 1 315.377 2.323 20 5 DEBDMO CC[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CCC1 ZINC000738058810 637385938 /nfs/dbraw/zinc/38/59/38/637385938.db2.gz VOEPAYGKGNMCQZ-UHFFFAOYSA-N 1 1 303.160 2.386 20 5 DEBDMO CC[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CCC1 ZINC000738058810 637385941 /nfs/dbraw/zinc/38/59/41/637385941.db2.gz VOEPAYGKGNMCQZ-UHFFFAOYSA-N 1 1 303.160 2.386 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1C ZINC000895099714 637557859 /nfs/dbraw/zinc/55/78/59/637557859.db2.gz KWZHAUWWSWIQQQ-TXEJJXNPSA-N 1 1 315.377 2.457 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000839392890 637866128 /nfs/dbraw/zinc/86/61/28/637866128.db2.gz RROXPRCGVSOBIL-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000839392890 637866131 /nfs/dbraw/zinc/86/61/31/637866131.db2.gz RROXPRCGVSOBIL-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000895697389 638156167 /nfs/dbraw/zinc/15/61/67/638156167.db2.gz PKKSESZJTHXUKB-CYBMUJFWSA-N 1 1 317.389 2.426 20 5 DEBDMO COc1ccc(CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000895812044 638210837 /nfs/dbraw/zinc/21/08/37/638210837.db2.gz JKQCVRDYJXSFFE-GFCCVEGCSA-N 1 1 321.377 2.092 20 5 DEBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000744390564 638215837 /nfs/dbraw/zinc/21/58/37/638215837.db2.gz MPWZECVZQBCVMW-UHFFFAOYSA-N 1 1 320.324 2.484 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000896460619 638534301 /nfs/dbraw/zinc/53/43/01/638534301.db2.gz LZVCUJYWBHCXDN-STQMWFEESA-N 1 1 320.393 2.092 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000750653673 639012207 /nfs/dbraw/zinc/01/22/07/639012207.db2.gz ZLUGQIDUMBLLKT-VXGBXAGGSA-N 1 1 303.366 2.019 20 5 DEBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)C2CC2)CC1 ZINC000985192033 639138218 /nfs/dbraw/zinc/13/82/18/639138218.db2.gz SNVHHLCADGBQNQ-UHFFFAOYSA-N 1 1 323.418 2.489 20 5 DEBDMO CC[N@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000754230464 639405304 /nfs/dbraw/zinc/40/53/04/639405304.db2.gz XMTDSCACWSVHSV-OYVUYXNMSA-N 1 1 303.362 2.161 20 5 DEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCC(=O)N1 ZINC000839670344 639797971 /nfs/dbraw/zinc/79/79/71/639797971.db2.gz UFZDTMPHQDFQLW-GFCCVEGCSA-N 1 1 309.341 2.223 20 5 DEBDMO Cc1cc(F)cc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000758506311 639966271 /nfs/dbraw/zinc/96/62/71/639966271.db2.gz XBFOSNILFUMQHT-JTQLQIEISA-N 1 1 309.341 2.114 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC[C@H]2C)c1C ZINC000897428206 640198968 /nfs/dbraw/zinc/19/89/68/640198968.db2.gz WKXSQZREAMOVHD-GFCCVEGCSA-N 1 1 305.378 2.426 20 5 DEBDMO C[C@H](C(=O)NCC[N@H+]1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000762903776 640481373 /nfs/dbraw/zinc/48/13/73/640481373.db2.gz NPERWSSWALXGDF-OLZOCXBDSA-N 1 1 305.378 2.299 20 5 DEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000766557432 640894272 /nfs/dbraw/zinc/89/42/72/640894272.db2.gz VLXYWCCQBYSPDS-MNOVXSKESA-N 1 1 309.341 2.289 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000766557432 640894276 /nfs/dbraw/zinc/89/42/76/640894276.db2.gz VLXYWCCQBYSPDS-MNOVXSKESA-N 1 1 309.341 2.289 20 5 DEBDMO CC(C)[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000775420808 642042124 /nfs/dbraw/zinc/04/21/24/642042124.db2.gz FGTONPPFPNAOSE-HNNXBMFYSA-N 1 1 323.368 2.471 20 5 DEBDMO C[N@@H+](CCO)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000899732109 642150893 /nfs/dbraw/zinc/15/08/93/642150893.db2.gz VGPLEWOVTMKKDC-UHFFFAOYSA-N 1 1 323.396 2.042 20 5 DEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900287773 642311514 /nfs/dbraw/zinc/31/15/14/642311514.db2.gz MCHHVGRQCVLDBS-HIFRSBDPSA-N 1 1 303.362 2.228 20 5 DEBDMO C[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[C@H]1CCOC1 ZINC000777955795 642325074 /nfs/dbraw/zinc/32/50/74/642325074.db2.gz UKJIPMSKEVQSBW-HNNXBMFYSA-N 1 1 302.334 2.137 20 5 DEBDMO C[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[C@H]1CCOC1 ZINC000777955795 642325084 /nfs/dbraw/zinc/32/50/84/642325084.db2.gz UKJIPMSKEVQSBW-HNNXBMFYSA-N 1 1 302.334 2.137 20 5 DEBDMO Cc1[nH+]ccn1CCCCOC(=O)c1ccc([N+](=O)[O-])n1C ZINC000778765715 642427576 /nfs/dbraw/zinc/42/75/76/642427576.db2.gz GEDCUNVZJVHMBL-UHFFFAOYSA-N 1 1 306.322 2.075 20 5 DEBDMO Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000902397826 643029182 /nfs/dbraw/zinc/02/91/82/643029182.db2.gz XPUKGTIZDRSXGX-LBPRGKRZSA-N 1 1 321.377 2.103 20 5 DEBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000902649851 643101362 /nfs/dbraw/zinc/10/13/62/643101362.db2.gz GAYYCOPASZUJNR-HZMBPMFUSA-N 1 1 315.329 2.023 20 5 DEBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000902649851 643101366 /nfs/dbraw/zinc/10/13/66/643101366.db2.gz GAYYCOPASZUJNR-HZMBPMFUSA-N 1 1 315.329 2.023 20 5 DEBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000902654114 643103545 /nfs/dbraw/zinc/10/35/45/643103545.db2.gz ANFHGRYGGXFXOE-PHIMTYICSA-N 1 1 303.318 2.192 20 5 DEBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000902654114 643103547 /nfs/dbraw/zinc/10/35/47/643103547.db2.gz ANFHGRYGGXFXOE-PHIMTYICSA-N 1 1 303.318 2.192 20 5 DEBDMO C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@]2(C)C1 ZINC000903013301 643224033 /nfs/dbraw/zinc/22/40/33/643224033.db2.gz DIIBYSZKSLSVAT-BMIGLBTASA-N 1 1 322.340 2.149 20 5 DEBDMO Cc1cc(-c2noc(C[C@H]3CC[N@H+](C)C3)n2)cc([N+](=O)[O-])c1 ZINC000904085915 643565622 /nfs/dbraw/zinc/56/56/22/643565622.db2.gz HMEIOYWTTAQDGM-LLVKDONJSA-N 1 1 302.334 2.447 20 5 DEBDMO O=[N+]([O-])c1ccccc1Cc1noc([C@]23C[C@H]2CCC[NH2+]3)n1 ZINC000904516039 643684791 /nfs/dbraw/zinc/68/47/91/643684791.db2.gz UVQYFUKSPRHMLA-ABAIWWIYSA-N 1 1 300.318 2.167 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1F ZINC000790481912 643858459 /nfs/dbraw/zinc/85/84/59/643858459.db2.gz LWIDXTJDEITGPV-LBPRGKRZSA-N 1 1 321.352 2.351 20 5 DEBDMO O=C1O[C@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC12CCC2 ZINC000792265247 644098613 /nfs/dbraw/zinc/09/86/13/644098613.db2.gz LGXBXHQOTIBEQM-ZDUSSCGKSA-N 1 1 316.357 2.439 20 5 DEBDMO O=C1O[C@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC12CCC2 ZINC000792265247 644098615 /nfs/dbraw/zinc/09/86/15/644098615.db2.gz LGXBXHQOTIBEQM-ZDUSSCGKSA-N 1 1 316.357 2.439 20 5 DEBDMO CC[NH2+]Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 ZINC000843142293 650906091 /nfs/dbraw/zinc/90/60/91/650906091.db2.gz XFARYCOYKJZZQM-UHFFFAOYSA-N 1 1 317.349 2.355 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000793954597 644328553 /nfs/dbraw/zinc/32/85/53/644328553.db2.gz JBFLUINSSDPLQL-PWZNUNQRSA-N 1 1 315.373 2.018 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910278725 645384769 /nfs/dbraw/zinc/38/47/69/645384769.db2.gz GRRKUEIKDGOLCO-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910278276 645384834 /nfs/dbraw/zinc/38/48/34/645384834.db2.gz CRFLFMIHUYQKLT-CYBMUJFWSA-N 1 1 305.378 2.460 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000910282723 645388466 /nfs/dbraw/zinc/38/84/66/645388466.db2.gz GTWCZIUENWJZAK-LBPRGKRZSA-N 1 1 320.393 2.042 20 5 DEBDMO COCCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801525842 645409124 /nfs/dbraw/zinc/40/91/24/645409124.db2.gz PRDDWZBCLMEUOP-CYBMUJFWSA-N 1 1 312.341 2.361 20 5 DEBDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801525842 645409127 /nfs/dbraw/zinc/40/91/27/645409127.db2.gz PRDDWZBCLMEUOP-CYBMUJFWSA-N 1 1 312.341 2.361 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000843768544 651026751 /nfs/dbraw/zinc/02/67/51/651026751.db2.gz WWLWINMRCBPIEN-OLZOCXBDSA-N 1 1 321.352 2.399 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000843800990 651032168 /nfs/dbraw/zinc/03/21/68/651032168.db2.gz XMESHXFSJQCVQV-LBPRGKRZSA-N 1 1 323.368 2.456 20 5 DEBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000804441830 645771361 /nfs/dbraw/zinc/77/13/61/645771361.db2.gz KLSVOEHOGFQJDN-NSHDSACASA-N 1 1 306.322 2.399 20 5 DEBDMO C[C@H]1C(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000840065349 645853028 /nfs/dbraw/zinc/85/30/28/645853028.db2.gz OZXYKMPYYZSTCT-CHWSQXEVSA-N 1 1 305.378 2.141 20 5 DEBDMO C[C@H]1C(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000840065349 645853031 /nfs/dbraw/zinc/85/30/31/645853031.db2.gz OZXYKMPYYZSTCT-CHWSQXEVSA-N 1 1 305.378 2.141 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000840092709 645945350 /nfs/dbraw/zinc/94/53/50/645945350.db2.gz WVVFMGZFXYUQRO-ZDUSSCGKSA-N 1 1 317.393 2.236 20 5 DEBDMO COc1cccc(C(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000810843593 646432983 /nfs/dbraw/zinc/43/29/83/646432983.db2.gz XFKMMCUNBYXLIS-NWDGAFQWSA-N 1 1 320.345 2.387 20 5 DEBDMO C[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@H]1CCOC1 ZINC000730259960 646872045 /nfs/dbraw/zinc/87/20/45/646872045.db2.gz YWRTZTFVCMQAON-HNNXBMFYSA-N 1 1 302.334 2.137 20 5 DEBDMO C[N@@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@H]1CCOC1 ZINC000730259960 646872048 /nfs/dbraw/zinc/87/20/48/646872048.db2.gz YWRTZTFVCMQAON-HNNXBMFYSA-N 1 1 302.334 2.137 20 5 DEBDMO C[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000815700661 647043468 /nfs/dbraw/zinc/04/34/68/647043468.db2.gz PTZGAHYVVJZJOO-LBPRGKRZSA-N 1 1 305.378 2.035 20 5 DEBDMO C[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000815700661 647043471 /nfs/dbraw/zinc/04/34/71/647043471.db2.gz PTZGAHYVVJZJOO-LBPRGKRZSA-N 1 1 305.378 2.035 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC(C)=O)CC1 ZINC000153517623 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PPJWEJUZLYDYKI-SMDDNHRTSA-N 1 1 321.352 2.209 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000925335375 648319166 /nfs/dbraw/zinc/31/91/66/648319166.db2.gz MVUQQYXBDYUCKY-DGCLKSJQSA-N 1 1 320.393 2.222 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823938267 648502106 /nfs/dbraw/zinc/50/21/06/648502106.db2.gz BYSDSLCOQJEEIG-JTQLQIEISA-N 1 1 309.370 2.027 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000825339003 648744958 /nfs/dbraw/zinc/74/49/58/648744958.db2.gz XYPNVSSXNCPVKT-AWEZNQCLSA-N 1 1 322.365 2.418 20 5 DEBDMO Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000825641225 648792993 /nfs/dbraw/zinc/79/29/93/648792993.db2.gz SIOZWIQQGLKHCR-CQSZACIVSA-N 1 1 303.362 2.146 20 5 DEBDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826689886 648907385 /nfs/dbraw/zinc/90/73/85/648907385.db2.gz OMDYLRLACYMXGY-AWEZNQCLSA-N 1 1 305.378 2.125 20 5 DEBDMO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826689886 648907388 /nfs/dbraw/zinc/90/73/88/648907388.db2.gz OMDYLRLACYMXGY-AWEZNQCLSA-N 1 1 305.378 2.125 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827211697 648993512 /nfs/dbraw/zinc/99/35/12/648993512.db2.gz KMQGWNZGSVIMNF-ZFWWWQNUSA-N 1 1 317.389 2.378 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827310085 649011974 /nfs/dbraw/zinc/01/19/74/649011974.db2.gz JQCATNDPBBLQNT-BXUZGUMPSA-N 1 1 321.352 2.209 20 5 DEBDMO Cc1cccc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827358104 649021880 /nfs/dbraw/zinc/02/18/80/649021880.db2.gz WEBZIKVXKTWBGZ-OCCSQVGLSA-N 1 1 303.362 2.069 20 5 DEBDMO Cc1c(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827374610 649025708 /nfs/dbraw/zinc/02/57/08/649025708.db2.gz ORQQPABOLMREAI-SWLSCSKDSA-N 1 1 303.362 2.069 20 5 DEBDMO CCCC[N@H+](CC)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000075582292 649204036 /nfs/dbraw/zinc/20/40/36/649204036.db2.gz MMBLBNCDSSHXFF-UHFFFAOYSA-N 1 1 305.334 2.270 20 5 DEBDMO CCCC[N@@H+](CC)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000075582292 649204038 /nfs/dbraw/zinc/20/40/38/649204038.db2.gz MMBLBNCDSSHXFF-UHFFFAOYSA-N 1 1 305.334 2.270 20 5 DEBDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000830125038 649397996 /nfs/dbraw/zinc/39/79/96/649397996.db2.gz SXCHCIXROZGDLJ-LBPRGKRZSA-N 1 1 323.324 2.008 20 5 DEBDMO COC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000832744088 649741036 /nfs/dbraw/zinc/74/10/36/649741036.db2.gz BHQSNTKQXIHXAZ-CZUORRHYSA-N 1 1 308.378 2.377 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC000834310468 649779662 /nfs/dbraw/zinc/77/96/62/649779662.db2.gz NNFBVRMBKVBBJB-SKDRFNHKSA-N 1 1 309.753 2.024 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000834377665 649789061 /nfs/dbraw/zinc/78/90/61/649789061.db2.gz GPTYGLNUOHEJBG-IXDOHACOSA-N 1 1 318.373 2.272 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000834377665 649789062 /nfs/dbraw/zinc/78/90/62/649789062.db2.gz GPTYGLNUOHEJBG-IXDOHACOSA-N 1 1 318.373 2.272 20 5 DEBDMO C[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000844423411 651126733 /nfs/dbraw/zinc/12/67/33/651126733.db2.gz ZPPDFZQHERJMSN-WFASDCNBSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000844423411 651126734 /nfs/dbraw/zinc/12/67/34/651126734.db2.gz ZPPDFZQHERJMSN-WFASDCNBSA-N 1 1 306.362 2.272 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000845738457 651276430 /nfs/dbraw/zinc/27/64/30/651276430.db2.gz OIOOIEWBTBLMEV-LLVKDONJSA-N 1 1 307.350 2.207 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)OCC[C@H]2CC[N@@H+](C)C2)c1 ZINC000847827388 651421840 /nfs/dbraw/zinc/42/18/40/651421840.db2.gz PKTNISUYGIHMFQ-LLVKDONJSA-N 1 1 308.334 2.102 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000854658626 651528348 /nfs/dbraw/zinc/52/83/48/651528348.db2.gz BXPHTCSCPXZFSP-MRXNPFEDSA-N 1 1 321.352 2.292 20 5 DEBDMO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1O ZINC000930163228 651949045 /nfs/dbraw/zinc/94/90/45/651949045.db2.gz RIYFTOQWYRLTTG-UFBFGSQYSA-N 1 1 315.167 2.170 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1O ZINC000930163228 651949051 /nfs/dbraw/zinc/94/90/51/651949051.db2.gz RIYFTOQWYRLTTG-UFBFGSQYSA-N 1 1 315.167 2.170 20 5 DEBDMO Cc1noc(CN2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000852007170 652311256 /nfs/dbraw/zinc/31/12/56/652311256.db2.gz KGKMTOFOUNBMKZ-UHFFFAOYSA-N 1 1 308.382 2.199 20 5 DEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852105036 652340552 /nfs/dbraw/zinc/34/05/52/652340552.db2.gz HXJDPRQEKGSZKT-SJORKVTESA-N 1 1 319.405 2.046 20 5 DEBDMO Cc1noc(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)c1[N+](=O)[O-] ZINC000852205382 652363039 /nfs/dbraw/zinc/36/30/39/652363039.db2.gz ZDLYYXHLVFSSRT-MRXNPFEDSA-N 1 1 317.345 2.157 20 5 DEBDMO Cc1noc(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c1[N+](=O)[O-] ZINC000852205382 652363042 /nfs/dbraw/zinc/36/30/42/652363042.db2.gz ZDLYYXHLVFSSRT-MRXNPFEDSA-N 1 1 317.345 2.157 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+](CCOCCO)C1CCC1 ZINC000852291864 652378378 /nfs/dbraw/zinc/37/83/78/652378378.db2.gz HSCAAFDHKMQLNR-UHFFFAOYSA-N 1 1 312.341 2.097 20 5 DEBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000852494844 652409612 /nfs/dbraw/zinc/40/96/12/652409612.db2.gz FVLJEZWEPYSIII-GFCCVEGCSA-N 1 1 300.742 2.095 20 5 DEBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000852494844 652409613 /nfs/dbraw/zinc/40/96/13/652409613.db2.gz FVLJEZWEPYSIII-GFCCVEGCSA-N 1 1 300.742 2.095 20 5 DEBDMO C[N@H+](C[C@@H]1CC1(C)C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000853628398 652581140 /nfs/dbraw/zinc/58/11/40/652581140.db2.gz UNTZSROOKCGJSL-JTQLQIEISA-N 1 1 305.334 2.438 20 5 DEBDMO C[N@@H+](C[C@@H]1CC1(C)C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000853628398 652581142 /nfs/dbraw/zinc/58/11/42/652581142.db2.gz UNTZSROOKCGJSL-JTQLQIEISA-N 1 1 305.334 2.438 20 5 DEBDMO CC[C@H]([NH2+]C)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000854139809 652645666 /nfs/dbraw/zinc/64/56/66/652645666.db2.gz MYGSUAJGLSUWFB-JTQLQIEISA-N 1 1 305.338 2.303 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)c1F ZINC000928432734 693777879 /nfs/dbraw/zinc/77/78/79/693777879.db2.gz KBLUFRVTLFOZHI-IUCAKERBSA-N 1 1 313.304 2.004 20 5 DEBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000928436088 693779074 /nfs/dbraw/zinc/77/90/74/693779074.db2.gz IMMXTCZJGGNPDS-MWLCHTKSSA-N 1 1 309.391 2.139 20 5 DEBDMO Cc1nn(C[N@H+](C)CCn2cccn2)c2cc([N+](=O)[O-])ccc12 ZINC000121186748 684106482 /nfs/dbraw/zinc/10/64/82/684106482.db2.gz GDAWKWLIIUJYBE-UHFFFAOYSA-N 1 1 314.349 2.039 20 5 DEBDMO Cc1nn(C[N@@H+](C)CCn2cccn2)c2cc([N+](=O)[O-])ccc12 ZINC000121186748 684106483 /nfs/dbraw/zinc/10/64/83/684106483.db2.gz GDAWKWLIIUJYBE-UHFFFAOYSA-N 1 1 314.349 2.039 20 5 DEBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CCc3ccns3)CC2)c1 ZINC000929269942 693928274 /nfs/dbraw/zinc/92/82/74/693928274.db2.gz MVFCFVPOBPPBQV-UHFFFAOYSA-N 1 1 318.402 2.416 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)C2(O)CCCC2)C2CC2)cc1 ZINC000930140543 694098919 /nfs/dbraw/zinc/09/89/19/694098919.db2.gz CLKAOYQRZUSYGE-MRXNPFEDSA-N 1 1 320.389 2.225 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(c3cc(F)c([N+](=O)[O-])cc3CO)C2)C1 ZINC000865833576 687349497 /nfs/dbraw/zinc/34/94/97/687349497.db2.gz JQKCERVAUHIKRC-INIZCTEOSA-N 1 1 323.368 2.148 20 5 DEBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1ncn(C)n1 ZINC000866343100 687541242 /nfs/dbraw/zinc/54/12/42/687541242.db2.gz HVKJYMMSAMRSLV-UWVGGRQHSA-N 1 1 307.329 2.144 20 5 DEBDMO C[C@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000866411685 687564875 /nfs/dbraw/zinc/56/48/75/687564875.db2.gz SZOMOJMIYOQBEJ-JSGCOSHPSA-N 1 1 307.394 2.091 20 5 DEBDMO C[C@H](N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000866411685 687564879 /nfs/dbraw/zinc/56/48/79/687564879.db2.gz SZOMOJMIYOQBEJ-JSGCOSHPSA-N 1 1 307.394 2.091 20 5 DEBDMO C[C@@H]1CC[C@H](C)N(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867944846 687844591 /nfs/dbraw/zinc/84/45/91/687844591.db2.gz JYVUTWIQARVZRY-WQGACYEGSA-N 1 1 305.378 2.416 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000930368689 694147324 /nfs/dbraw/zinc/14/73/24/694147324.db2.gz NNJAIVDPPJQPQS-NSHDSACASA-N 1 1 323.418 2.388 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000868785505 688139169 /nfs/dbraw/zinc/13/91/69/688139169.db2.gz ZZKDWGLQTAKUKH-AWEZNQCLSA-N 1 1 320.393 2.187 20 5 DEBDMO C[C@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000870789154 688654455 /nfs/dbraw/zinc/65/44/55/688654455.db2.gz SNVGFSAJVAOFEX-VXGBXAGGSA-N 1 1 309.366 2.353 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CCC1(C)C 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CC[N@@H+]1[C@H](C)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000878837368 690510333 /nfs/dbraw/zinc/51/03/33/690510333.db2.gz XSTSDMSVMQGORY-ZENOOKHLSA-N 1 1 307.394 2.043 20 5 DEBDMO CO[C@H]1CC[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000879323070 690619262 /nfs/dbraw/zinc/61/92/62/690619262.db2.gz WYAMNJIYHRWXJW-OLZOCXBDSA-N 1 1 321.377 2.423 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](OC)CC[C@@H]2C)c1 ZINC000879324049 690620167 /nfs/dbraw/zinc/62/01/67/690620167.db2.gz BMZULVHPHHJVPQ-FZMZJTMJSA-N 1 1 322.361 2.381 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](OC)CC[C@@H]2C)c1 ZINC000879324049 690620170 /nfs/dbraw/zinc/62/01/70/690620170.db2.gz BMZULVHPHHJVPQ-FZMZJTMJSA-N 1 1 322.361 2.381 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000879537310 690664947 /nfs/dbraw/zinc/66/49/47/690664947.db2.gz XQHILNMMRHEGOL-GFCCVEGCSA-N 1 1 305.378 2.426 20 5 DEBDMO O=C1CC2(CCC2)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000880169992 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LVOYQYONEBORTC-SWLSCSKDSA-N 1 1 322.361 2.310 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CO[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001224704699 802895448 /nfs/dbraw/zinc/89/54/48/802895448.db2.gz CCUOWFUXQYJLGE-CJNGLKHVSA-N 1 1 322.361 2.234 20 5 DEBDMO C[C@@H](OC[C@@H]1CCC[N@H+]1C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001224818011 802907060 /nfs/dbraw/zinc/90/70/60/802907060.db2.gz GDGWSUCSQGVTHK-MNOVXSKESA-N 1 1 308.334 2.495 20 5 DEBDMO COC(=O)Cc1ccc(O[C@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001226215119 803072997 /nfs/dbraw/zinc/07/29/97/803072997.db2.gz UWOSHXJTGBXSLP-ZDUSSCGKSA-N 1 1 322.361 2.173 20 5 DEBDMO CC[N@H+]1CCC[C@H](Oc2c(C(=O)OC)cccc2[N+](=O)[O-])C1 ZINC001227124644 803205294 /nfs/dbraw/zinc/20/52/94/803205294.db2.gz OSLJRWAHCMOSLN-NSHDSACASA-N 1 1 308.334 2.245 20 5 DEBDMO COC(=O)c1sc([N+](=O)[O-])cc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001227544612 803249987 /nfs/dbraw/zinc/24/99/87/803249987.db2.gz OZFLFOJQHFQDGQ-QMMMGPOBSA-N 1 1 323.330 2.033 20 5 DEBDMO 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COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1 ZINC001516429487 1068924426 /nfs/dbraw/zinc/92/44/26/1068924426.db2.gz IOVBCACGZJHWKB-FRRDWIJNSA-N 1 1 319.361 2.134 20 5 DEBDMO O=C(OC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001520059420 1069094572 /nfs/dbraw/zinc/09/45/72/1069094572.db2.gz CRPNUODTKPSMTQ-HNNXBMFYSA-N 1 1 320.345 2.005 20 5 DEBDMO CNC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001644496941 1078848374 /nfs/dbraw/zinc/84/83/74/1078848374.db2.gz SDRNHASQUYNDGW-NWDGAFQWSA-N 1 1 306.366 2.049 20 5 DEBDMO CNC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001644496941 1078848375 /nfs/dbraw/zinc/84/83/75/1078848375.db2.gz SDRNHASQUYNDGW-NWDGAFQWSA-N 1 1 306.366 2.049 20 5 DEBDMO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001644515569 1078849385 /nfs/dbraw/zinc/84/93/85/1078849385.db2.gz VVYLRSNHZNAVFK-CYBMUJFWSA-N 1 1 304.394 2.439 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC[C@@H]21 ZINC001329298492 1148882086 /nfs/dbraw/zinc/88/20/86/1148882086.db2.gz NJSKFHPNHTYRRF-FZMZJTMJSA-N 1 1 302.378 2.093 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001562864730 1073313951 /nfs/dbraw/zinc/31/39/51/1073313951.db2.gz KLGRJRJCXQRZBK-UHFFFAOYSA-N 1 1 307.285 2.061 20 5 DEBDMO CCCC[N@@H+](C)CCNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC001559101121 1075113030 /nfs/dbraw/zinc/11/30/30/1075113030.db2.gz UKHJIFPFRFVVFV-UHFFFAOYSA-N 1 1 323.393 2.454 20 5 DEBDMO [NH3+]Cc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2[nH]1 ZINC001580355713 1075910227 /nfs/dbraw/zinc/91/02/27/1075910227.db2.gz QTIFQRNRHSZSGH-UHFFFAOYSA-N 1 1 311.301 2.182 20 5 DEBDMO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001620706631 1076085989 /nfs/dbraw/zinc/08/59/89/1076085989.db2.gz RCHJMTJWIFZNDM-LLVKDONJSA-N 1 1 317.345 2.469 20 5 DEBDMO C[NH+](C)Cc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)o1 ZINC001583087328 1076239267 /nfs/dbraw/zinc/23/92/67/1076239267.db2.gz DOUFSCMCGIPGMO-UHFFFAOYSA-N 1 1 317.345 2.222 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC001585026149 1076334998 /nfs/dbraw/zinc/33/49/98/1076334998.db2.gz VAZQETOEBKFXKE-UKRRQHHQSA-N 1 1 318.377 2.045 20 5 DEBDMO CC(C)CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589600317 1076501017 /nfs/dbraw/zinc/50/10/17/1076501017.db2.gz ALZYNHLGDUIMRL-UHFFFAOYSA-N 1 1 304.354 2.253 20 5 DEBDMO CCC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001655592496 1080007571 /nfs/dbraw/zinc/00/75/71/1080007571.db2.gz LRYVWAWAHVSKFC-UHFFFAOYSA-N 1 1 321.377 2.094 20 5 DEBDMO CC(C)Oc1nc(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001655920766 1080024760 /nfs/dbraw/zinc/02/47/60/1080024760.db2.gz LUIDWWIFSARDDN-RYUDHWBXSA-N 1 1 324.356 2.009 20 5 DEBDMO CC(C)Oc1nc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001655920766 1080024769 /nfs/dbraw/zinc/02/47/69/1080024769.db2.gz LUIDWWIFSARDDN-RYUDHWBXSA-N 1 1 324.356 2.009 20 5 DEBDMO CC(C)[N@@H+](C)CC(=O)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107232677 1080687024 /nfs/dbraw/zinc/68/70/24/1080687024.db2.gz FGASZEMEQVGPLW-VOTSOKGWSA-N 1 1 320.393 2.019 20 5 DEBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CCC2CCCCC2)C1 ZINC000950055710 1081259638 /nfs/dbraw/zinc/25/96/38/1081259638.db2.gz MOIUYXIIZFLXDH-HZPDHXFCSA-N 1 1 323.437 2.155 20 5 DEBDMO C/C=C(\C)C(=O)N(C)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001667549520 1081262446 /nfs/dbraw/zinc/26/24/46/1081262446.db2.gz ULYCCIDZGGTGLH-WLRTZDKTSA-N 1 1 305.378 2.451 20 5 DEBDMO C[N@H+](CCNC(=O)c1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC001266250090 1081916530 /nfs/dbraw/zinc/91/65/30/1081916530.db2.gz CWRGPAZSEHJOGK-UHFFFAOYSA-N 1 1 303.318 2.050 20 5 DEBDMO C[N@@H+](CCNC(=O)c1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC001266250090 1081916536 /nfs/dbraw/zinc/91/65/36/1081916536.db2.gz CWRGPAZSEHJOGK-UHFFFAOYSA-N 1 1 303.318 2.050 20 5 DEBDMO C[C@@H]1C[N@@H+](C2CC2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001648854725 1082107640 /nfs/dbraw/zinc/10/76/40/1082107640.db2.gz GDLACHDHPIHCIG-SNVBAGLBSA-N 1 1 307.325 2.043 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001648854725 1082107642 /nfs/dbraw/zinc/10/76/42/1082107642.db2.gz GDLACHDHPIHCIG-SNVBAGLBSA-N 1 1 307.325 2.043 20 5 DEBDMO C[N@@H+](CCCNC(=O)c1cc[nH]c1)Cc1ccccc1[N+](=O)[O-] ZINC001490200696 1093221911 /nfs/dbraw/zinc/22/19/11/1093221911.db2.gz UARURUKCJKGYOO-UHFFFAOYSA-N 1 1 316.361 2.175 20 5 DEBDMO [NH3+]CCS(=O)(=O)[N-]c1ccc2[nH+]c3ccccc3cc2c1 ZINC001237705444 1138765013 /nfs/dbraw/zinc/76/50/13/1138765013.db2.gz BQKKQBJSNFSULD-UHFFFAOYSA-N 1 1 301.371 2.088 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001320798290 1140927064 /nfs/dbraw/zinc/92/70/64/1140927064.db2.gz CDRBZOSOIAQVLT-UHFFFAOYSA-N 1 1 309.285 2.428 20 5 DEBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccncc2)no1 ZINC001247667064 1141410377 /nfs/dbraw/zinc/41/03/77/1141410377.db2.gz UBYPKPURWDSQEV-LBPRGKRZSA-N 1 1 311.301 2.282 20 5 DEBDMO CCOc1cccc(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001336726222 1142548492 /nfs/dbraw/zinc/54/84/92/1142548492.db2.gz NMNIUMVOZXSHME-GXTWGEPZSA-N 1 1 322.409 2.040 20 5 DEBDMO COc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC001336886242 1142615699 /nfs/dbraw/zinc/61/56/99/1142615699.db2.gz LRRLMJXXVSXTMI-JBLDHEPKSA-N 1 1 309.341 2.495 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001337535275 1142765875 /nfs/dbraw/zinc/76/58/75/1142765875.db2.gz LQQZYMIMAWUWDM-LBPRGKRZSA-N 1 1 311.769 2.462 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(Cl)c3[N+](=O)[O-])[C@H]2C1 ZINC001338459419 1142857339 /nfs/dbraw/zinc/85/73/39/1142857339.db2.gz DAGYDYGGEXLGPU-XHVZSJERSA-N 1 1 323.780 2.318 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001253768469 1142918824 /nfs/dbraw/zinc/91/88/24/1142918824.db2.gz DUNHCNSYHWVBSO-KBPBESRZSA-N 1 1 305.378 2.269 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001253768472 1142920976 /nfs/dbraw/zinc/92/09/76/1142920976.db2.gz DUNHCNSYHWVBSO-UONOGXRCSA-N 1 1 305.378 2.269 20 5 DEBDMO CC(C)[N@@H+](C)CC1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001339543928 1143051352 /nfs/dbraw/zinc/05/13/52/1143051352.db2.gz GLMRVHPNQMFTJR-UHFFFAOYSA-N 1 1 307.398 2.129 20 5 DEBDMO C[C@]1(O)CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254478525 1143130514 /nfs/dbraw/zinc/13/05/14/1143130514.db2.gz GBDRNRNCHUZEEJ-KRWDZBQOSA-N 1 1 319.405 2.410 20 5 DEBDMO C[C@@]1(O)CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254478526 1143131242 /nfs/dbraw/zinc/13/12/42/1143131242.db2.gz GBDRNRNCHUZEEJ-QGZVFWFLSA-N 1 1 319.405 2.410 20 5 DEBDMO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254550718 1143243495 /nfs/dbraw/zinc/24/34/95/1143243495.db2.gz PLQBRBSTLYLSCP-GXTWGEPZSA-N 1 1 306.362 2.411 20 5 DEBDMO C[N@@H+]([C@@H]1CCC2(C1)OCCO2)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612685 1143283238 /nfs/dbraw/zinc/28/32/38/1143283238.db2.gz YBJSVQUWGWWUIJ-CVEARBPZSA-N 1 1 318.373 2.289 20 5 DEBDMO C[C@H](NC(=O)[C@H]1[NH2+]CCc2occc21)c1ccc([N+](=O)[O-])cc1 ZINC001341109437 1143541630 /nfs/dbraw/zinc/54/16/30/1143541630.db2.gz RPSQNLYVNBKKCW-BONVTDFDSA-N 1 1 315.329 2.252 20 5 DEBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)CC(C)(C)C ZINC001262106710 1144290812 /nfs/dbraw/zinc/29/08/12/1144290812.db2.gz MQRDEIDSAUJCJR-UHFFFAOYSA-N 1 1 319.405 2.457 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001262652905 1144324822 /nfs/dbraw/zinc/32/48/22/1144324822.db2.gz TUAVDLWSOZZAMD-SNVBAGLBSA-N 1 1 311.769 2.462 20 5 DEBDMO Cc1cc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc([N+](=O)[O-])c1 ZINC001263983151 1144436386 /nfs/dbraw/zinc/43/63/86/1144436386.db2.gz FOABOUMDBNENQC-GFCCVEGCSA-N 1 1 309.391 2.279 20 5 DEBDMO Cc1cc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)cc([N+](=O)[O-])c1 ZINC001263983151 1144436391 /nfs/dbraw/zinc/43/63/91/1144436391.db2.gz FOABOUMDBNENQC-GFCCVEGCSA-N 1 1 309.391 2.279 20 5 DEBDMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC1CCCCC1 ZINC001265845074 1144746873 /nfs/dbraw/zinc/74/68/73/1144746873.db2.gz CBGBIMWSBGYKIH-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO C[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC1CCCCC1 ZINC001265845074 1144746875 /nfs/dbraw/zinc/74/68/75/1144746875.db2.gz CBGBIMWSBGYKIH-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO C[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC1CCCCC1 ZINC001265845074 1144746878 /nfs/dbraw/zinc/74/68/78/1144746878.db2.gz CBGBIMWSBGYKIH-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO C[N@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C(C)(C)C1 ZINC001303990438 1144819004 /nfs/dbraw/zinc/81/90/04/1144819004.db2.gz XYEUXMDJWRZLNM-GFCCVEGCSA-N 1 1 311.769 2.318 20 5 DEBDMO C[N@H+](CCNC(=O)CCC(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001492342360 1147237118 /nfs/dbraw/zinc/23/71/18/1147237118.db2.gz NABCJTAANZRHMW-UHFFFAOYSA-N 1 1 315.320 2.188 20 5 DEBDMO C[N@@H+](CCNC(=O)CCC(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001492342360 1147237122 /nfs/dbraw/zinc/23/71/22/1147237122.db2.gz NABCJTAANZRHMW-UHFFFAOYSA-N 1 1 315.320 2.188 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC001303469389 1147327637 /nfs/dbraw/zinc/32/76/37/1147327637.db2.gz FKQKCGBBAKWFKC-UHFFFAOYSA-N 1 1 302.334 2.092 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)c1ncc[nH]1 ZINC001308955124 1147490756 /nfs/dbraw/zinc/49/07/56/1147490756.db2.gz NALMFPLUTNVCDX-OIOXUXFSSA-N 1 1 302.334 2.044 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000152929999 282157791 /nfs/dbraw/zinc/15/77/91/282157791.db2.gz CWBVQWYERDSIHO-CHWSQXEVSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000152929999 282157792 /nfs/dbraw/zinc/15/77/92/282157792.db2.gz CWBVQWYERDSIHO-CHWSQXEVSA-N 1 1 321.377 2.077 20 5 DEBDMO CC(C)(O)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000614587616 362414836 /nfs/dbraw/zinc/41/48/36/362414836.db2.gz SJUGOMBOSJXOGK-UHFFFAOYSA-N 1 1 305.334 2.471 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293060439 530059396 /nfs/dbraw/zinc/05/93/96/530059396.db2.gz UQSLAGMIDZLQTC-QGZVFWFLSA-N 1 1 319.405 2.391 20 5 DEBDMO CN1CCC[C@@]2(CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293060439 530059401 /nfs/dbraw/zinc/05/94/01/530059401.db2.gz UQSLAGMIDZLQTC-QGZVFWFLSA-N 1 1 319.405 2.391 20 5 DEBDMO CN1CCC[C@@]2(CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293060439 530059402 /nfs/dbraw/zinc/05/94/02/530059402.db2.gz UQSLAGMIDZLQTC-QGZVFWFLSA-N 1 1 319.405 2.391 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272630015 210033425 /nfs/dbraw/zinc/03/34/25/210033425.db2.gz NBSWRTKLSOZVNI-DOMZBBRYSA-N 1 1 303.362 2.069 20 5 DEBDMO CC(C)(C)[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000279953224 215266461 /nfs/dbraw/zinc/26/64/61/215266461.db2.gz XXEZXVQWFADJAT-HUUCEWRRSA-N 1 1 308.378 2.375 20 5 DEBDMO CC(C)(C)[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000279953224 215266464 /nfs/dbraw/zinc/26/64/64/215266464.db2.gz XXEZXVQWFADJAT-HUUCEWRRSA-N 1 1 308.378 2.375 20 5 DEBDMO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000287090052 219306073 /nfs/dbraw/zinc/30/60/73/219306073.db2.gz XAIJCWQSZGKBLL-CQSZACIVSA-N 1 1 307.350 2.305 20 5 DEBDMO CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000149461005 186050043 /nfs/dbraw/zinc/05/00/43/186050043.db2.gz JRGCJMNDYRYOJT-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+](CCCCO)C2CC2)c2c(c1)COCO2 ZINC000152519534 186081288 /nfs/dbraw/zinc/08/12/88/186081288.db2.gz HLWXCBMQJQDLOA-UHFFFAOYSA-N 1 1 322.361 2.198 20 5 DEBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494745 358464795 /nfs/dbraw/zinc/46/47/95/358464795.db2.gz ZZGXJIVDWONQFT-SWLSCSKDSA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494745 358464800 /nfs/dbraw/zinc/46/48/00/358464800.db2.gz ZZGXJIVDWONQFT-SWLSCSKDSA-N 1 1 323.368 2.029 20 5 DEBDMO Cc1noc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[N+](=O)[O-] ZINC000595516168 358471337 /nfs/dbraw/zinc/47/13/37/358471337.db2.gz DWRBWQJMYSGVTR-LLVKDONJSA-N 1 1 324.381 2.005 20 5 DEBDMO Cc1noc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[N+](=O)[O-] ZINC000595516168 358471342 /nfs/dbraw/zinc/47/13/42/358471342.db2.gz DWRBWQJMYSGVTR-LLVKDONJSA-N 1 1 324.381 2.005 20 5 DEBDMO C[N@@H+](CCc1cccs1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072800700 191231167 /nfs/dbraw/zinc/23/11/67/191231167.db2.gz JOKBQGJRHCMDLF-UHFFFAOYSA-N 1 1 319.386 2.430 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCCCC1 ZINC000003536895 353991262 /nfs/dbraw/zinc/99/12/62/353991262.db2.gz HQOODHRRDFLHEQ-LLVKDONJSA-N 1 1 307.350 2.416 20 5 DEBDMO C[N@@H+](CCC(=O)N1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000046599278 354287087 /nfs/dbraw/zinc/28/70/87/354287087.db2.gz CUCRTIUZKRHGSR-UHFFFAOYSA-N 1 1 305.378 2.429 20 5 DEBDMO CC(=O)c1ccc(N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000052472491 354403532 /nfs/dbraw/zinc/40/35/32/354403532.db2.gz ZDXUKFFJLJOZNW-UHFFFAOYSA-N 1 1 303.362 2.329 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])c(C)nn2CC)C1 ZINC000192635460 535263799 /nfs/dbraw/zinc/26/37/99/535263799.db2.gz ODMADDDLSMHLCR-ZDUSSCGKSA-N 1 1 309.414 2.288 20 5 DEBDMO CCN(CC)C(=O)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055899798 354514709 /nfs/dbraw/zinc/51/47/09/354514709.db2.gz HRJPRZFRMKDCMK-UHFFFAOYSA-N 1 1 323.393 2.164 20 5 DEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000056999239 354552226 /nfs/dbraw/zinc/55/22/26/354552226.db2.gz SZIBQUQIDDTTSY-GRYCIOLGSA-N 1 1 309.366 2.284 20 5 DEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000057004112 354552966 /nfs/dbraw/zinc/55/29/66/354552966.db2.gz QAACWAKWCKEHRB-HUUCEWRRSA-N 1 1 318.377 2.021 20 5 DEBDMO Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000063490057 354647438 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359719229 /nfs/dbraw/zinc/71/92/29/359719229.db2.gz MVZWLQJXMMKJFA-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO CNc1c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000600315870 359721757 /nfs/dbraw/zinc/72/17/57/359721757.db2.gz WHNMSGMSSNONMV-LBPRGKRZSA-N 1 1 320.393 2.098 20 5 DEBDMO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCO1 ZINC000619060394 363690103 /nfs/dbraw/zinc/69/01/03/363690103.db2.gz AQTFPDOUEKSKEQ-QWHCGFSZSA-N 1 1 321.333 2.020 20 5 DEBDMO COc1cccc(C(=O)Nc2cc[nH+]c(N(C)C)c2)c1[N+](=O)[O-] ZINC000436019007 237709881 /nfs/dbraw/zinc/70/98/81/237709881.db2.gz GDRLXTUZIDTRQJ-UHFFFAOYSA-N 1 1 316.317 2.317 20 5 DEBDMO COC1(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCOCC1 ZINC000601132446 359934713 /nfs/dbraw/zinc/93/47/13/359934713.db2.gz HCXLADXHCIJNFY-UHFFFAOYSA-N 1 1 317.345 2.172 20 5 DEBDMO C[C@H](C[S@](C)=O)N(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601142280 359938301 /nfs/dbraw/zinc/93/83/01/359938301.db2.gz PNMZLJQNNNDFCR-UZJPJQLHSA-N 1 1 307.375 2.346 20 5 DEBDMO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cs1 ZINC000601145466 359940479 /nfs/dbraw/zinc/94/04/79/359940479.db2.gz WREZDTDUMICVCH-MRVPVSSYSA-N 1 1 321.284 2.141 20 5 DEBDMO COC[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000601153122 359944346 /nfs/dbraw/zinc/94/43/46/359944346.db2.gz JUZPGAUXVPIZEZ-AAEUAGOBSA-N 1 1 317.345 2.383 20 5 DEBDMO Cn1cc[nH+]c1N1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000601152661 359944501 /nfs/dbraw/zinc/94/45/01/359944501.db2.gz PGBPCQLUFCNWNO-UHFFFAOYSA-N 1 1 307.379 2.471 20 5 DEBDMO C[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[S@@]1=O ZINC000601156514 359946275 /nfs/dbraw/zinc/94/62/75/359946275.db2.gz XVOUUGAFOHSDJN-XFNZEKPQSA-N 1 1 319.386 2.490 20 5 DEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601180437 359954649 /nfs/dbraw/zinc/95/46/49/359954649.db2.gz OORQXBPFKFURNA-LLVKDONJSA-N 1 1 309.341 2.148 20 5 DEBDMO COC(=O)[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000601182368 359955753 /nfs/dbraw/zinc/95/57/53/359955753.db2.gz SOPWADNDKKPEMI-ZWNOBZJWSA-N 1 1 315.329 2.388 20 5 DEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000602453807 360380682 /nfs/dbraw/zinc/38/06/82/360380682.db2.gz PEXDHVOHSPNVEY-SECBINFHSA-N 1 1 304.268 2.428 20 5 DEBDMO CC(C)NC(=O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602505659 360408856 /nfs/dbraw/zinc/40/88/56/360408856.db2.gz ACBCDRKFWRECBL-UHFFFAOYSA-N 1 1 319.283 2.228 20 5 DEBDMO COCCCN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602529460 360420109 /nfs/dbraw/zinc/42/01/09/360420109.db2.gz PNIFPQCAUFIXOM-UHFFFAOYSA-N 1 1 321.421 2.228 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000602900969 360616807 /nfs/dbraw/zinc/61/68/07/360616807.db2.gz PVCCEMNJNQBXCJ-GJZGRUSLSA-N 1 1 322.409 2.381 20 5 DEBDMO CC[C@@]1(O)CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000602983158 360653843 /nfs/dbraw/zinc/65/38/43/360653843.db2.gz CUJIAWGJQKFCDV-MLGOLLRUSA-N 1 1 321.377 2.159 20 5 DEBDMO CC[C@@]1(O)CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000602983158 360653844 /nfs/dbraw/zinc/65/38/44/360653844.db2.gz CUJIAWGJQKFCDV-MLGOLLRUSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@@H]1C[N@H+](C(C)(C)CNc2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000603847168 360863535 /nfs/dbraw/zinc/86/35/35/360863535.db2.gz SKQDVIJACSYIAZ-TXEJJXNPSA-N 1 1 308.382 2.290 20 5 DEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000603847168 360863539 /nfs/dbraw/zinc/86/35/39/360863539.db2.gz SKQDVIJACSYIAZ-TXEJJXNPSA-N 1 1 308.382 2.290 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609383671 361308001 /nfs/dbraw/zinc/30/80/01/361308001.db2.gz ZVSGGUINBDXEMQ-ZDUSSCGKSA-N 1 1 303.362 2.117 20 5 DEBDMO O=C1[C@H]([N@H+]2C[C@@H]3CCC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610762643 361462231 /nfs/dbraw/zinc/46/22/31/361462231.db2.gz JFGMLSGGRXFTDV-TUKIKUTGSA-N 1 1 301.346 2.184 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611093258 361525194 /nfs/dbraw/zinc/52/51/94/361525194.db2.gz RJOLIVGSUSQNAB-GFCCVEGCSA-N 1 1 306.366 2.461 20 5 DEBDMO O=[N+]([O-])c1ncccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000610946721 361495632 /nfs/dbraw/zinc/49/56/32/361495632.db2.gz YSGNXQUBJBPXCP-JSGCOSHPSA-N 1 1 302.378 2.443 20 5 DEBDMO O=C(C[NH+]1CCC2(CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000611177186 361541447 /nfs/dbraw/zinc/54/14/47/361541447.db2.gz BKFUMHWTEAXUQC-UHFFFAOYSA-N 1 1 319.361 2.036 20 5 DEBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CCOCC1 ZINC000611271226 361566646 /nfs/dbraw/zinc/56/66/46/361566646.db2.gz JTSPYPBMOZKCJN-UHFFFAOYSA-N 1 1 322.361 2.224 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC=CCC1 ZINC000611517119 361620043 /nfs/dbraw/zinc/62/00/43/361620043.db2.gz ABEMNYUCGYNVDC-UHFFFAOYSA-N 1 1 305.334 2.194 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(O)cc3)C2)nc1 ZINC000611526555 361623630 /nfs/dbraw/zinc/62/36/30/361623630.db2.gz UDTFDUSFUHPNNF-ZDUSSCGKSA-N 1 1 314.345 2.382 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCO)C2CCSCC2)cc1 ZINC000619569543 363829734 /nfs/dbraw/zinc/82/97/34/363829734.db2.gz JDPOKSZNXRMAQP-UHFFFAOYSA-N 1 1 310.419 2.327 20 5 DEBDMO C[C@@H]1C[N@@H+](CCN(C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000195326993 201378685 /nfs/dbraw/zinc/37/86/85/201378685.db2.gz IVVBNPSPAJABTI-OKILXGFUSA-N 1 1 307.394 2.136 20 5 DEBDMO C[C@@H]1C[N@H+](CCN(C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000195326993 201378689 /nfs/dbraw/zinc/37/86/89/201378689.db2.gz IVVBNPSPAJABTI-OKILXGFUSA-N 1 1 307.394 2.136 20 5 DEBDMO C[C@@H]1CN(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000195326993 201378690 /nfs/dbraw/zinc/37/86/90/201378690.db2.gz IVVBNPSPAJABTI-OKILXGFUSA-N 1 1 307.394 2.136 20 5 DEBDMO C[C@@H]1CN(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000195326993 201378694 /nfs/dbraw/zinc/37/86/94/201378694.db2.gz IVVBNPSPAJABTI-OKILXGFUSA-N 1 1 307.394 2.136 20 5 DEBDMO CC(C)(C)C[N@@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619717885 363863239 /nfs/dbraw/zinc/86/32/39/363863239.db2.gz VERKETWUTOLUGY-UHFFFAOYSA-N 1 1 323.393 2.264 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000275481534 212360892 /nfs/dbraw/zinc/36/08/92/212360892.db2.gz JLKAIRSYDCCVGL-ZDUSSCGKSA-N 1 1 307.394 2.185 20 5 DEBDMO CCOC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543497 243092073 /nfs/dbraw/zinc/09/20/73/243092073.db2.gz CBJYYGNAUFFWFN-ZBFHGGJFSA-N 1 1 308.378 2.172 20 5 DEBDMO COC[C@@]1(CO)CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000451925648 243644373 /nfs/dbraw/zinc/64/43/73/243644373.db2.gz GJIMWUFUJCYBAF-BBRMVZONSA-N 1 1 308.378 2.295 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC001472448848 1151874182 /nfs/dbraw/zinc/87/41/82/1151874182.db2.gz VHYRYDJXBXMTCV-CYBMUJFWSA-N 1 1 323.418 2.240 20 5 DEBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC1CCCC1 ZINC000282448206 217003804 /nfs/dbraw/zinc/00/38/04/217003804.db2.gz LQGQSNBYZNCWSP-UHFFFAOYSA-N 1 1 305.378 2.128 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC1CCCC1 ZINC000282448206 217003808 /nfs/dbraw/zinc/00/38/08/217003808.db2.gz LQGQSNBYZNCWSP-UHFFFAOYSA-N 1 1 305.378 2.128 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001472449567 1151874668 /nfs/dbraw/zinc/87/46/68/1151874668.db2.gz XJSUDYOUENWVRJ-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264801688 204167340 /nfs/dbraw/zinc/16/73/40/204167340.db2.gz UGTIEMSLUZFGLW-RMKNXTFCSA-N 1 1 303.362 2.162 20 5 DEBDMO O=C(CC[N@H+]1CCO[C@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000282660416 217159440 /nfs/dbraw/zinc/15/94/40/217159440.db2.gz LXXOADMZHBJJJU-GJZGRUSLSA-N 1 1 319.361 2.177 20 5 DEBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000266007241 205020101 /nfs/dbraw/zinc/02/01/01/205020101.db2.gz QQIGQNPNUCNOAY-UMVBOHGHSA-N 1 1 308.378 2.455 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000288347953 220099214 /nfs/dbraw/zinc/09/92/14/220099214.db2.gz IYPRLTBCQBXBHW-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000288347953 220099216 /nfs/dbraw/zinc/09/92/16/220099216.db2.gz IYPRLTBCQBXBHW-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282806781 217264525 /nfs/dbraw/zinc/26/45/25/217264525.db2.gz XOPRPXMCLCGJSB-STQMWFEESA-N 1 1 321.377 2.423 20 5 DEBDMO CCOc1ccc(NC(=O)Cn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000029937704 182580969 /nfs/dbraw/zinc/58/09/69/182580969.db2.gz HAEQYCVPAUSJNT-UHFFFAOYSA-N 1 1 304.306 2.137 20 5 DEBDMO Cc1cccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000458163371 248176272 /nfs/dbraw/zinc/17/62/72/248176272.db2.gz IVAXWMGLSSZGHL-ZDUSSCGKSA-N 1 1 305.378 2.365 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493274015 249267116 /nfs/dbraw/zinc/26/71/16/249267116.db2.gz RLBIELMIOCXUOJ-BRLPQQTGSA-N 1 1 321.352 2.300 20 5 DEBDMO Cc1ccnc(N2CCC(c3c[nH+]cn3C)CC2)c1[N+](=O)[O-] ZINC001354415094 1151893549 /nfs/dbraw/zinc/89/35/49/1151893549.db2.gz KKUITJMKHOVYEU-UHFFFAOYSA-N 1 1 301.350 2.416 20 5 DEBDMO Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000533468340 284786180 /nfs/dbraw/zinc/78/61/80/284786180.db2.gz RIQVTUYHFLRQBW-UHFFFAOYSA-N 1 1 321.358 2.138 20 5 DEBDMO C[C@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000285324465 218381888 /nfs/dbraw/zinc/38/18/88/218381888.db2.gz NIYNQZXWNHPZLB-AWEZNQCLSA-N 1 1 319.405 2.328 20 5 DEBDMO C[C@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000285324465 218381890 /nfs/dbraw/zinc/38/18/90/218381890.db2.gz NIYNQZXWNHPZLB-AWEZNQCLSA-N 1 1 319.405 2.328 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000271916106 209320367 /nfs/dbraw/zinc/32/03/67/209320367.db2.gz JNLOYSPNMJZZNL-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000269174650 207296315 /nfs/dbraw/zinc/29/63/15/207296315.db2.gz JACYZODDORULMW-LBPRGKRZSA-N 1 1 321.377 2.151 20 5 DEBDMO CCO[C@@H]1C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000555964772 291809700 /nfs/dbraw/zinc/80/97/00/291809700.db2.gz YUOASMYWZGEGLR-CMPLNLGQSA-N 1 1 302.277 2.463 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000119850343 195049101 /nfs/dbraw/zinc/04/91/01/195049101.db2.gz UIGOTDIHGKNQPF-CMPLNLGQSA-N 1 1 304.350 2.342 20 5 DEBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000272952097 210338423 /nfs/dbraw/zinc/33/84/23/210338423.db2.gz MCNLMFWXVKZZHA-LLVKDONJSA-N 1 1 304.350 2.367 20 5 DEBDMO Cn1cnnc1[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000156679062 197132979 /nfs/dbraw/zinc/13/29/79/197132979.db2.gz LLYPYNVXMMHYCI-CQSZACIVSA-N 1 1 301.350 2.103 20 5 DEBDMO Cn1cnnc1[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000156679062 197132981 /nfs/dbraw/zinc/13/29/81/197132981.db2.gz LLYPYNVXMMHYCI-CQSZACIVSA-N 1 1 301.350 2.103 20 5 DEBDMO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000542031396 285206738 /nfs/dbraw/zinc/20/67/38/285206738.db2.gz FDQIDKCTSPDOHR-LLVKDONJSA-N 1 1 322.365 2.067 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120477451 195173395 /nfs/dbraw/zinc/17/33/95/195173395.db2.gz HJZSXYXAMAQODW-HZMBPMFUSA-N 1 1 309.341 2.146 20 5 DEBDMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000120637623 195206431 /nfs/dbraw/zinc/20/64/31/195206431.db2.gz RLSTXUALRNRYRZ-GXTWGEPZSA-N 1 1 305.378 2.315 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000121569457 195308090 /nfs/dbraw/zinc/30/80/90/195308090.db2.gz WCASZWIKJQPDOZ-AWEZNQCLSA-N 1 1 306.366 2.399 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1[N+](=O)[O-] ZINC000292568670 533567082 /nfs/dbraw/zinc/56/70/82/533567082.db2.gz BMXAPGDEIMKVRO-OAHLLOKOSA-N 1 1 306.362 2.483 20 5 DEBDMO Cc1cc(C(=O)N2CCC[N@H+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000340723066 132166646 /nfs/dbraw/zinc/16/66/46/132166646.db2.gz COOHFRHRWYTBJD-UHFFFAOYSA-N 1 1 305.378 2.460 20 5 DEBDMO Cc1cccc(C(=O)NCC[N@@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000355349478 133020399 /nfs/dbraw/zinc/02/03/99/133020399.db2.gz AALAZTGDMOLXEN-UHFFFAOYSA-N 1 1 303.362 2.285 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000355534030 133032281 /nfs/dbraw/zinc/03/22/81/133032281.db2.gz OMXODZJMJFIIHP-OAHLLOKOSA-N 1 1 305.378 2.428 20 5 DEBDMO CC(C)c1ccc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000355725847 133044086 /nfs/dbraw/zinc/04/40/86/133044086.db2.gz HGGHIGCVRQJIRN-MRXNPFEDSA-N 1 1 305.378 2.416 20 5 DEBDMO CCOC(=O)c1ccnc(N[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000357541907 133084264 /nfs/dbraw/zinc/08/42/64/133084264.db2.gz APFNOOMTEBTFEF-NSHDSACASA-N 1 1 324.381 2.307 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000359768728 133143761 /nfs/dbraw/zinc/14/37/61/133143761.db2.gz WGNHCEPNFQCZTG-GFCCVEGCSA-N 1 1 323.393 2.454 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000359778660 133144156 /nfs/dbraw/zinc/14/41/56/133144156.db2.gz QJEIKPPUVAQOBW-GFCCVEGCSA-N 1 1 322.409 2.487 20 5 DEBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000360397908 133179826 /nfs/dbraw/zinc/17/98/26/133179826.db2.gz ZAVOHSDZIKVVEN-CMPLNLGQSA-N 1 1 322.365 2.208 20 5 DEBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000362821451 133253398 /nfs/dbraw/zinc/25/33/98/133253398.db2.gz YKFYPNNPGHWEKF-CZUORRHYSA-N 1 1 319.405 2.231 20 5 DEBDMO CC(C)O[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000563067568 292029409 /nfs/dbraw/zinc/02/94/09/292029409.db2.gz HICGSXNDFNNKHP-OAHLLOKOSA-N 1 1 322.361 2.461 20 5 DEBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000563067568 292029410 /nfs/dbraw/zinc/02/94/10/292029410.db2.gz HICGSXNDFNNKHP-OAHLLOKOSA-N 1 1 322.361 2.461 20 5 DEBDMO CCc1[nH+]ccn1C[C@H]1CCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000564632702 292102364 /nfs/dbraw/zinc/10/23/64/292102364.db2.gz RIQFPFGUOCUUOE-GFCCVEGCSA-N 1 1 316.365 2.121 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246236304 145095714 /nfs/dbraw/zinc/09/57/14/145095714.db2.gz HCVZKELCHKZCFN-IMJJTQAJSA-N 1 1 306.362 2.129 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246568800 145106921 /nfs/dbraw/zinc/10/69/21/145106921.db2.gz HPICAHDBVDQOIG-HOCLYGCPSA-N 1 1 317.389 2.080 20 5 DEBDMO CC(=O)c1cc(N2CCC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000317875621 145366630 /nfs/dbraw/zinc/36/66/30/145366630.db2.gz SHNKBKLFTYRMKJ-AWEZNQCLSA-N 1 1 303.362 2.472 20 5 DEBDMO C[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000346912910 146163892 /nfs/dbraw/zinc/16/38/92/146163892.db2.gz XWFCQWBKCJLILY-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000346912910 146163894 /nfs/dbraw/zinc/16/38/94/146163894.db2.gz XWFCQWBKCJLILY-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+](CCC(N)=O)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000348838357 146319275 /nfs/dbraw/zinc/31/92/75/146319275.db2.gz OOHIDINPJJNZPZ-UHFFFAOYSA-N 1 1 320.374 2.026 20 5 DEBDMO C[N@@H+](CCC(N)=O)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000348838357 146319277 /nfs/dbraw/zinc/31/92/77/146319277.db2.gz OOHIDINPJJNZPZ-UHFFFAOYSA-N 1 1 320.374 2.026 20 5 DEBDMO Cc1c(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000358927249 147232518 /nfs/dbraw/zinc/23/25/18/147232518.db2.gz GMXOKBBDYDSVPI-BXUZGUMPSA-N 1 1 320.393 2.185 20 5 DEBDMO CO[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000374658875 148274004 /nfs/dbraw/zinc/27/40/04/148274004.db2.gz BUHDBYMYLBMDNZ-HNNXBMFYSA-N 1 1 321.377 2.059 20 5 DEBDMO CC[N@@H+](CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000112928427 401761908 /nfs/dbraw/zinc/76/19/08/401761908.db2.gz OHORWTJMHPAGHN-MDZDMXLPSA-N 1 1 305.378 2.455 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000075540961 401762255 /nfs/dbraw/zinc/76/22/55/401762255.db2.gz RCHFXJZNMHWAAP-GFCCVEGCSA-N 1 1 306.366 2.400 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000075890258 401773076 /nfs/dbraw/zinc/77/30/76/401773076.db2.gz ILHXCMKSNWUYJL-MRXNPFEDSA-N 1 1 319.405 2.200 20 5 DEBDMO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000115439945 401827408 /nfs/dbraw/zinc/82/74/08/401827408.db2.gz UZQPZXUFEFVPTR-GFCCVEGCSA-N 1 1 321.377 2.017 20 5 DEBDMO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000026449889 401840389 /nfs/dbraw/zinc/84/03/89/401840389.db2.gz GFOODVMHTNQGKP-UHFFFAOYSA-N 1 1 309.366 2.138 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000089935982 401975201 /nfs/dbraw/zinc/97/52/01/401975201.db2.gz DPFGXFNTZGDAFP-LBPRGKRZSA-N 1 1 309.391 2.279 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000089935982 401975203 /nfs/dbraw/zinc/97/52/03/401975203.db2.gz DPFGXFNTZGDAFP-LBPRGKRZSA-N 1 1 309.391 2.279 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000120559026 401994234 /nfs/dbraw/zinc/99/42/34/401994234.db2.gz QGCPCRYSZIEZDU-PWSUYJOCSA-N 1 1 321.352 2.018 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000121059107 402012632 /nfs/dbraw/zinc/01/26/32/402012632.db2.gz CNVXFVXNRMPHQO-WFASDCNBSA-N 1 1 305.378 2.315 20 5 DEBDMO Cn1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534386 402016487 /nfs/dbraw/zinc/01/64/87/402016487.db2.gz CKEOUTJTFNUZRI-CYBMUJFWSA-N 1 1 301.350 2.015 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000151799429 402057524 /nfs/dbraw/zinc/05/75/24/402057524.db2.gz SHQQMNLBFOPYRK-NSHDSACASA-N 1 1 311.357 2.123 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000152872500 402113798 /nfs/dbraw/zinc/11/37/98/402113798.db2.gz IMFRXCOXGVPXLF-OLZOCXBDSA-N 1 1 321.377 2.077 20 5 DEBDMO CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000153559047 402152860 /nfs/dbraw/zinc/15/28/60/402152860.db2.gz ABHYWQJDORBCIB-IZPAUZPXSA-N 1 1 321.352 2.300 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+](CCO)CCCO)o2)c1 ZINC000124437249 402179697 /nfs/dbraw/zinc/17/96/97/402179697.db2.gz VLGATKRCWNKMSZ-UHFFFAOYSA-N 1 1 320.345 2.032 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000068338406 402193817 /nfs/dbraw/zinc/19/38/17/402193817.db2.gz BMPSLMXNLSEFSE-WTNCMQEWSA-N 1 1 305.378 2.455 20 5 DEBDMO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000106863158 402218689 /nfs/dbraw/zinc/21/86/89/402218689.db2.gz AZROQEMITYBANF-NHYWBVRUSA-N 1 1 322.361 2.197 20 5 DEBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000106863158 402218690 /nfs/dbraw/zinc/21/86/90/402218690.db2.gz AZROQEMITYBANF-NHYWBVRUSA-N 1 1 322.361 2.197 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000069858743 402247377 /nfs/dbraw/zinc/24/73/77/402247377.db2.gz DWYDHNYJZOVOBR-OAHLLOKOSA-N 1 1 319.405 2.139 20 5 DEBDMO O=[N+]([O-])c1ccccc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069858743 402247379 /nfs/dbraw/zinc/24/73/79/402247379.db2.gz DWYDHNYJZOVOBR-OAHLLOKOSA-N 1 1 319.405 2.139 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000108345852 402251040 /nfs/dbraw/zinc/25/10/40/402251040.db2.gz OCZYLHBVIPJQHU-NSHDSACASA-N 1 1 323.418 2.388 20 5 DEBDMO Cc1c(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000108496916 402254928 /nfs/dbraw/zinc/25/49/28/402254928.db2.gz NMOPAYIJOGZYSU-LBPRGKRZSA-N 1 1 306.366 2.367 20 5 DEBDMO Cc1cccc(NCCNC(=O)c2cccc(C)c2[N+](=O)[O-])[nH+]1 ZINC000126191172 402269220 /nfs/dbraw/zinc/26/92/20/402269220.db2.gz DTMWGFWXVFWHTF-UHFFFAOYSA-N 1 1 314.345 2.449 20 5 DEBDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000160323058 402340642 /nfs/dbraw/zinc/34/06/42/402340642.db2.gz XFNHUBSRBZVBKJ-CQSZACIVSA-N 1 1 315.329 2.305 20 5 DEBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000160323058 402340643 /nfs/dbraw/zinc/34/06/43/402340643.db2.gz XFNHUBSRBZVBKJ-CQSZACIVSA-N 1 1 315.329 2.305 20 5 DEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000161940508 402404588 /nfs/dbraw/zinc/40/45/88/402404588.db2.gz GUWLXFPFVRECDC-HNNXBMFYSA-N 1 1 319.405 2.231 20 5 DEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000177813833 402438301 /nfs/dbraw/zinc/43/83/01/402438301.db2.gz JRUGOJOEXHCEPS-YPMHNXCESA-N 1 1 321.352 2.433 20 5 DEBDMO CC[C@H](C)[C@H](C)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000247541958 402571849 /nfs/dbraw/zinc/57/18/49/402571849.db2.gz PFIWQYKLOBSELH-HUBLWGQQSA-N 1 1 310.398 2.051 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@H](C3OCCO3)C2)cccc1[N+](=O)[O-] ZINC000171375236 402582162 /nfs/dbraw/zinc/58/21/62/402582162.db2.gz UQBAAFDLXPGVNC-AWEZNQCLSA-N 1 1 306.362 2.488 20 5 DEBDMO C[C@H]1CC[C@@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000190357745 402595407 /nfs/dbraw/zinc/59/54/07/402595407.db2.gz CWGLTIJPCXUDTP-KBPBESRZSA-N 1 1 305.378 2.284 20 5 DEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000172840761 402678000 /nfs/dbraw/zinc/67/80/00/402678000.db2.gz JAYMYPNLGOMWQT-CYBMUJFWSA-N 1 1 320.393 2.245 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255355566 402685169 /nfs/dbraw/zinc/68/51/69/402685169.db2.gz ZYNSMVQZAUYCGF-AJHXJQRKSA-N 1 1 317.389 2.408 20 5 DEBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000263684002 402790924 /nfs/dbraw/zinc/79/09/24/402790924.db2.gz ISDIMCDXMCNSGP-ZDUSSCGKSA-N 1 1 313.361 2.268 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@H]2C(C)(C)O)c([N+](=O)[O-])cc1F ZINC000184267684 402831320 /nfs/dbraw/zinc/83/13/20/402831320.db2.gz LPPIXCUAKHAFRH-AWEZNQCLSA-N 1 1 312.341 2.478 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000278559142 402867843 /nfs/dbraw/zinc/86/78/43/402867843.db2.gz WKZJQDILQGWFAA-YGRLFVJLSA-N 1 1 301.350 2.002 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272040332 402890333 /nfs/dbraw/zinc/89/03/33/402890333.db2.gz XWWRIQTXRLLNLD-UHFFFAOYSA-N 1 1 323.780 2.169 20 5 DEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000272594120 402957293 /nfs/dbraw/zinc/95/72/93/402957293.db2.gz UFOPQMYZVIXPLF-ZFWWWQNUSA-N 1 1 308.378 2.457 20 5 DEBDMO COCC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000273028613 402963853 /nfs/dbraw/zinc/96/38/53/402963853.db2.gz UBHVCZYULLZXHL-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000279195327 402914652 /nfs/dbraw/zinc/91/46/52/402914652.db2.gz AAMNKLHGABCFJE-WBMJQRKESA-N 1 1 321.377 2.423 20 5 DEBDMO CO[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000279195327 402914655 /nfs/dbraw/zinc/91/46/55/402914655.db2.gz AAMNKLHGABCFJE-WBMJQRKESA-N 1 1 321.377 2.423 20 5 DEBDMO COc1cc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000266187086 402967314 /nfs/dbraw/zinc/96/73/14/402967314.db2.gz BDOJLXLNBDSNKR-NEPJUHHUSA-N 1 1 309.366 2.125 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](C)(O)CC1 ZINC000279255080 402922809 /nfs/dbraw/zinc/92/28/09/402922809.db2.gz AJWJMPDMSAGHRP-BLLLJJGKSA-N 1 1 321.377 2.159 20 5 DEBDMO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000279273080 402924858 /nfs/dbraw/zinc/92/48/58/402924858.db2.gz JKRAZVTTXUDBOA-INIZCTEOSA-N 1 1 321.377 2.343 20 5 DEBDMO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000279273080 402924861 /nfs/dbraw/zinc/92/48/61/402924861.db2.gz JKRAZVTTXUDBOA-INIZCTEOSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272374879 402929259 /nfs/dbraw/zinc/92/92/59/402929259.db2.gz BGGYSFVKZZVUGX-SWLSCSKDSA-N 1 1 303.362 2.069 20 5 DEBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000280502633 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NTRCLYHGMZCRAX-IUODEOHRSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000303993425 403761147 /nfs/dbraw/zinc/76/11/47/403761147.db2.gz NTRCLYHGMZCRAX-SWLSCSKDSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000303993425 403761148 /nfs/dbraw/zinc/76/11/48/403761148.db2.gz NTRCLYHGMZCRAX-SWLSCSKDSA-N 1 1 321.377 2.077 20 5 DEBDMO CN(C)C(=O)O[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295163711 403780922 /nfs/dbraw/zinc/78/09/22/403780922.db2.gz SMZGISQIMZVCFG-DYLGSBMWSA-N 1 1 319.361 2.381 20 5 DEBDMO CN(C)C(=O)O[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295163711 403780925 /nfs/dbraw/zinc/78/09/25/403780925.db2.gz SMZGISQIMZVCFG-DYLGSBMWSA-N 1 1 319.361 2.381 20 5 DEBDMO O=C(CC[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411566031 403897868 /nfs/dbraw/zinc/89/78/68/403897868.db2.gz IQIFONHEMUAIBQ-OKILXGFUSA-N 1 1 317.345 2.119 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](CO)C(C)(C)C ZINC000411404333 403847915 /nfs/dbraw/zinc/84/79/15/403847915.db2.gz YEFXKEKSMAVWHJ-CQSZACIVSA-N 1 1 323.393 2.262 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)nc1 ZINC000361810884 403880413 /nfs/dbraw/zinc/88/04/13/403880413.db2.gz GLXDBZAXNFTRDS-UONOGXRCSA-N 1 1 306.366 2.045 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351736250 403888133 /nfs/dbraw/zinc/88/81/33/403888133.db2.gz KWVDZXGQTHLZKO-UHFFFAOYSA-N 1 1 307.285 2.061 20 5 DEBDMO C[C@H]1[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CCC[N@H+]1C ZINC000347881925 403928236 /nfs/dbraw/zinc/92/82/36/403928236.db2.gz PARZPDVQPDOEOK-WDEREUQCSA-N 1 1 301.350 2.433 20 5 DEBDMO CO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411699587 403942900 /nfs/dbraw/zinc/94/29/00/403942900.db2.gz WUUDOCZMFPXMQY-WFASDCNBSA-N 1 1 321.377 2.423 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C(C)C)C2COC2)cccc1[N+](=O)[O-] ZINC000295571921 403996319 /nfs/dbraw/zinc/99/63/19/403996319.db2.gz YWTBJTQSGVGJDR-UHFFFAOYSA-N 1 1 321.377 2.341 20 5 DEBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000411933198 404022226 /nfs/dbraw/zinc/02/22/26/404022226.db2.gz BUFKUUXOMARHQV-SNVBAGLBSA-N 1 1 311.769 2.158 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000289463000 403974972 /nfs/dbraw/zinc/97/49/72/403974972.db2.gz QFNJTYGFAAESQF-GOEBONIOSA-N 1 1 320.389 2.457 20 5 DEBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCO1 ZINC000337470361 404046606 /nfs/dbraw/zinc/04/66/06/404046606.db2.gz OZOQZXUNQUUEHG-ZDUSSCGKSA-N 1 1 321.377 2.424 20 5 DEBDMO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000320666945 404069282 /nfs/dbraw/zinc/06/92/82/404069282.db2.gz IWHQDIZJWCLBQJ-SECBINFHSA-N 1 1 319.390 2.496 20 5 DEBDMO COc1ncccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369492733 404114663 /nfs/dbraw/zinc/11/46/63/404114663.db2.gz IQXYXQMAXIFIHF-UHFFFAOYSA-N 1 1 317.349 2.032 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000290545171 404214666 /nfs/dbraw/zinc/21/46/66/404214666.db2.gz IVTKLAFPTYJEGH-CYBMUJFWSA-N 1 1 307.394 2.374 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000341803037 404183444 /nfs/dbraw/zinc/18/34/44/404183444.db2.gz YOBIKGKFKWLIPW-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000341803037 404183450 /nfs/dbraw/zinc/18/34/50/404183450.db2.gz YOBIKGKFKWLIPW-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000369844014 404248831 /nfs/dbraw/zinc/24/88/31/404248831.db2.gz AAGOGEMYLDPBBG-FZMZJTMJSA-N 1 1 304.350 2.153 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000344611364 404261140 /nfs/dbraw/zinc/26/11/40/404261140.db2.gz NEWRKDHSZUHWEA-CYBMUJFWSA-N 1 1 320.393 2.027 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC1 ZINC000344709137 404322609 /nfs/dbraw/zinc/32/26/09/404322609.db2.gz CGLLUNWOSVEKME-UHFFFAOYSA-N 1 1 309.391 2.142 20 5 DEBDMO Cc1c(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000296992947 404404404 /nfs/dbraw/zinc/40/44/04/404404404.db2.gz LPZXQFNEUWQXOO-GOOCMWNKSA-N 1 1 317.389 2.187 20 5 DEBDMO C[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000352641276 404509481 /nfs/dbraw/zinc/50/94/81/404509481.db2.gz WTQNVXNPRPWLNQ-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000352641276 404509486 /nfs/dbraw/zinc/50/94/86/404509486.db2.gz WTQNVXNPRPWLNQ-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352562930 404457459 /nfs/dbraw/zinc/45/74/59/404457459.db2.gz NOHUCDZBLMCDKT-AWEZNQCLSA-N 1 1 319.405 2.470 20 5 DEBDMO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000377335156 404836689 /nfs/dbraw/zinc/83/66/89/404836689.db2.gz FVOXKZCAPARPGS-SWLSCSKDSA-N 1 1 313.361 2.460 20 5 DEBDMO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000415117976 404811246 /nfs/dbraw/zinc/81/12/46/404811246.db2.gz DMIBAXKNYCCBBI-WBVHZDCISA-N 1 1 319.405 2.313 20 5 DEBDMO CC[C@@H](O)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353391255 404820882 /nfs/dbraw/zinc/82/08/82/404820882.db2.gz BPZTWOQUIHSXGK-CABCVRRESA-N 1 1 318.377 2.168 20 5 DEBDMO COc1cc(CN2CC[N@@H+](C)CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000353433578 404829925 /nfs/dbraw/zinc/82/99/25/404829925.db2.gz GXGLFRBUBPPZPF-GFCCVEGCSA-N 1 1 323.393 2.138 20 5 DEBDMO Cn1nnc2cc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)ccc21 ZINC000353610687 404883190 /nfs/dbraw/zinc/88/31/90/404883190.db2.gz WTMFUGVTVWFVPI-UHFFFAOYSA-N 1 1 323.356 2.435 20 5 DEBDMO Cn1nnc2cc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)ccc21 ZINC000353610687 404883196 /nfs/dbraw/zinc/88/31/96/404883196.db2.gz WTMFUGVTVWFVPI-UHFFFAOYSA-N 1 1 323.356 2.435 20 5 DEBDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000377949643 404852585 /nfs/dbraw/zinc/85/25/85/404852585.db2.gz MGXHXGYERZNWGU-LBPRGKRZSA-N 1 1 316.361 2.326 20 5 DEBDMO CNc1c(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000360936008 404856266 /nfs/dbraw/zinc/85/62/66/404856266.db2.gz CZMKWADOMARTFB-NSHDSACASA-N 1 1 318.377 2.017 20 5 DEBDMO CCc1nn(C)c(N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000360959757 404862894 /nfs/dbraw/zinc/86/28/94/404862894.db2.gz HWDVGMCGYJPXPC-NWDGAFQWSA-N 1 1 309.414 2.423 20 5 DEBDMO CC(C)C[C@]1(C)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451293956 404943558 /nfs/dbraw/zinc/94/35/58/404943558.db2.gz WYRWJAHZCWHXPC-GJZGRUSLSA-N 1 1 310.398 2.053 20 5 DEBDMO CC(C)CC[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000361303472 405014921 /nfs/dbraw/zinc/01/49/21/405014921.db2.gz DAUZOAZADLBUBT-DZGCQCFKSA-N 1 1 322.409 2.273 20 5 DEBDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451934930 405099958 /nfs/dbraw/zinc/09/99/58/405099958.db2.gz IDQPYEGOTPJYTJ-DGCLKSJQSA-N 1 1 300.742 2.142 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](CC(F)(F)F)C2)n1 ZINC000420938357 405411174 /nfs/dbraw/zinc/41/11/74/405411174.db2.gz ASCGMLNHUCXSOI-JTQLQIEISA-N 1 1 306.288 2.456 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426460182 405360679 /nfs/dbraw/zinc/36/06/79/405360679.db2.gz MNZWNAQBPNGRHN-BJJXKVORSA-N 1 1 306.362 2.209 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426466324 405361750 /nfs/dbraw/zinc/36/17/50/405361750.db2.gz FKLGRAFQWABTIR-MGPQQGTHSA-N 1 1 306.362 2.209 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000426511285 405365977 /nfs/dbraw/zinc/36/59/77/405365977.db2.gz REPMSUFOXNGLHD-ZDUSSCGKSA-N 1 1 322.409 2.243 20 5 DEBDMO CC1(C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000446078237 405370675 /nfs/dbraw/zinc/37/06/75/405370675.db2.gz FJMTYLWTMZWDEE-HNNXBMFYSA-N 1 1 308.378 2.457 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000421022685 405432697 /nfs/dbraw/zinc/43/26/97/405432697.db2.gz UYRFAQWXPHLABY-CQSZACIVSA-N 1 1 308.378 2.458 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](CCO)CC2)c1 ZINC000421022683 405432850 /nfs/dbraw/zinc/43/28/50/405432850.db2.gz UYRFAQWXPHLABY-AWEZNQCLSA-N 1 1 308.378 2.458 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccncc3F)C2)nc1 ZINC000449028424 405506356 /nfs/dbraw/zinc/50/63/56/405506356.db2.gz LQFYATRADWPQHY-GFCCVEGCSA-N 1 1 317.324 2.210 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccncc3F)C2)nc1 ZINC000449028424 405506360 /nfs/dbraw/zinc/50/63/60/405506360.db2.gz LQFYATRADWPQHY-GFCCVEGCSA-N 1 1 317.324 2.210 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493271266 405534454 /nfs/dbraw/zinc/53/44/54/405534454.db2.gz MDBIGDKSMBSMKG-WBTMPAOCSA-N 1 1 303.362 2.161 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000557537335 405603556 /nfs/dbraw/zinc/60/35/56/405603556.db2.gz CBBYAENYBOKYRO-QWHCGFSZSA-N 1 1 305.378 2.251 20 5 DEBDMO COc1c(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457082161 405685882 /nfs/dbraw/zinc/68/58/82/405685882.db2.gz DQRSGBCVYYODMD-GFCCVEGCSA-N 1 1 321.377 2.158 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000433011902 405850724 /nfs/dbraw/zinc/85/07/24/405850724.db2.gz HKJHVJYSQBAQJN-OAHLLOKOSA-N 1 1 306.362 2.353 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[NH+]1CCC(O)CC1 ZINC000532208285 406054632 /nfs/dbraw/zinc/05/46/32/406054632.db2.gz FILKSOJHRUBPQD-AWEZNQCLSA-N 1 1 321.421 2.401 20 5 DEBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000486985661 406196274 /nfs/dbraw/zinc/19/62/74/406196274.db2.gz WDSBLBQQRHXVJJ-DOMZBBRYSA-N 1 1 317.389 2.284 20 5 DEBDMO Cc1nc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488729952 406341183 /nfs/dbraw/zinc/34/11/83/406341183.db2.gz GXECKQAKUQBGMW-TYNCELHUSA-N 1 1 304.394 2.465 20 5 DEBDMO COc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000523072807 406417328 /nfs/dbraw/zinc/41/73/28/406417328.db2.gz BQTQCJUOHWVSME-LBPRGKRZSA-N 1 1 321.377 2.064 20 5 DEBDMO CCn1cc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000523670469 406431603 /nfs/dbraw/zinc/43/16/03/406431603.db2.gz WWXFFHHUXVDCSK-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940168 406459803 /nfs/dbraw/zinc/45/98/03/406459803.db2.gz QHQOATCMWYMZSR-RDJZCZTQSA-N 1 1 321.421 2.087 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1 ZINC000571538695 406535019 /nfs/dbraw/zinc/53/50/19/406535019.db2.gz SXCBPYPJTGBFMN-HNNXBMFYSA-N 1 1 318.377 2.159 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000572832742 406747105 /nfs/dbraw/zinc/74/71/05/406747105.db2.gz HZDOWWFUDUHGCW-LBPRGKRZSA-N 1 1 306.366 2.461 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491922964 406778839 /nfs/dbraw/zinc/77/88/39/406778839.db2.gz BLGZXGYKRNAYNM-FHMRSRPSSA-N 1 1 321.352 2.205 20 5 DEBDMO O=C(CC[NH+]1CC(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000554851323 406825791 /nfs/dbraw/zinc/82/57/91/406825791.db2.gz GPQZUJLDDNEDKG-UHFFFAOYSA-N 1 1 317.267 2.418 20 5 DEBDMO CC[C@@H](O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000134497312 196396804 /nfs/dbraw/zinc/39/68/04/196396804.db2.gz GHHYHGPKURSTNZ-MRXNPFEDSA-N 1 1 318.377 2.064 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000296569217 226004921 /nfs/dbraw/zinc/00/49/21/226004921.db2.gz DKCJDUVMRZIPFG-TXEJJXNPSA-N 1 1 306.366 2.460 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000299599851 229248164 /nfs/dbraw/zinc/24/81/64/229248164.db2.gz HAXLRRFFKVZCCR-HUUCEWRRSA-N 1 1 303.362 2.260 20 5 DEBDMO Cc1cc(NC(C)(C)CCN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000302291153 230209494 /nfs/dbraw/zinc/20/94/94/230209494.db2.gz WOOMSCYQJUUZFR-UHFFFAOYSA-N 1 1 321.425 2.126 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000543436831 421838060 /nfs/dbraw/zinc/83/80/60/421838060.db2.gz MQJAXUAUDSWUPG-NSHDSACASA-N 1 1 301.350 2.292 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000867113618 649856904 /nfs/dbraw/zinc/85/69/04/649856904.db2.gz UVORWEKKIDBITR-RYUDHWBXSA-N 1 1 323.368 2.218 20 5 DEBDMO Cc1cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000596569974 425027655 /nfs/dbraw/zinc/02/76/55/425027655.db2.gz DYDOSOBCZWNIGF-AWEZNQCLSA-N 1 1 304.394 2.832 20 5 DEBDMO C[C@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CC[N@H+]1C ZINC000352358984 425045066 /nfs/dbraw/zinc/04/50/66/425045066.db2.gz AQMZDQXKRRYVNM-AAEUAGOBSA-N 1 1 300.362 3.038 20 5 DEBDMO C[C@@H]1[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000352361024 425045415 /nfs/dbraw/zinc/04/54/15/425045415.db2.gz PQYDIPSUKFENCH-YPMHNXCESA-N 1 1 300.362 3.038 20 5 DEBDMO C[C@@H]1[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000352361021 425045500 /nfs/dbraw/zinc/04/55/00/425045500.db2.gz PQYDIPSUKFENCH-DGCLKSJQSA-N 1 1 300.362 3.038 20 5 DEBDMO O=C(C[N@H+]1CCC[C@@H]1C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000363384028 269055190 /nfs/dbraw/zinc/05/51/90/269055190.db2.gz FEUMLTDZCLADRN-OAHLLOKOSA-N 1 1 315.373 2.358 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCO)[C@@H]2CCCSC2)cc1 ZINC000439007189 275035197 /nfs/dbraw/zinc/03/51/97/275035197.db2.gz RLLFYPCAJRLSPE-OAHLLOKOSA-N 1 1 310.419 2.327 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000176214276 276130445 /nfs/dbraw/zinc/13/04/45/276130445.db2.gz PXKZLUYCIPIZBQ-UHFFFAOYSA-N 1 1 311.769 2.462 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000345904267 276240466 /nfs/dbraw/zinc/24/04/66/276240466.db2.gz KUMFCJWNBZXYNK-QWHCGFSZSA-N 1 1 305.378 2.458 20 5 DEBDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451556833 278183056 /nfs/dbraw/zinc/18/30/56/278183056.db2.gz DQJLOGIFUMFEGA-JSGCOSHPSA-N 1 1 305.378 2.251 20 5 DEBDMO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000364267863 280253587 /nfs/dbraw/zinc/25/35/87/280253587.db2.gz DPPYMCJIHRMRHF-JKSUJKDBSA-N 1 1 318.373 2.207 20 5 DEBDMO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000364267863 280253588 /nfs/dbraw/zinc/25/35/88/280253588.db2.gz DPPYMCJIHRMRHF-JKSUJKDBSA-N 1 1 318.373 2.207 20 5 DEBDMO COc1cccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000356732700 295288609 /nfs/dbraw/zinc/28/86/09/295288609.db2.gz ACRHKAFRGMUEAC-LLVKDONJSA-N 1 1 309.366 2.062 20 5 DEBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000486985663 300223363 /nfs/dbraw/zinc/22/33/63/300223363.db2.gz WDSBLBQQRHXVJJ-SWLSCSKDSA-N 1 1 317.389 2.284 20 5 DEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000423678411 300817688 /nfs/dbraw/zinc/81/76/88/300817688.db2.gz IQNIIAVOAZOCTR-ZDUSSCGKSA-N 1 1 315.732 2.022 20 5 DEBDMO C[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000575800958 326246660 /nfs/dbraw/zinc/24/66/60/326246660.db2.gz WFFVNWHAMKBLFH-KBPBESRZSA-N 1 1 319.405 2.499 20 5 DEBDMO Cc1nnc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000576544505 326301440 /nfs/dbraw/zinc/30/14/40/326301440.db2.gz DHWGFGZXAKUKFW-WDEREUQCSA-N 1 1 322.394 2.225 20 5 DEBDMO C[C@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000584444491 337326259 /nfs/dbraw/zinc/32/62/59/337326259.db2.gz NBDQFMLRFJYWLD-OLZOCXBDSA-N 1 1 305.378 2.251 20 5 DEBDMO Cc1c(C(=O)N2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000570354784 500948439 /nfs/dbraw/zinc/94/84/39/500948439.db2.gz ZCFOIHNTBNHYAI-UHFFFAOYSA-N 1 1 303.362 2.214 20 5 DEBDMO CC(C)(C)c1ccc(C(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000337318395 519019995 /nfs/dbraw/zinc/01/99/95/519019995.db2.gz MMHPVTHSKZGMLR-UHFFFAOYSA-N 1 1 305.378 2.328 20 5 DEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000245431487 524580653 /nfs/dbraw/zinc/58/06/53/524580653.db2.gz ASTNGDXQKKAJCJ-WDEREUQCSA-N 1 1 307.350 2.415 20 5 DEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000245431487 524580659 /nfs/dbraw/zinc/58/06/59/524580659.db2.gz ASTNGDXQKKAJCJ-WDEREUQCSA-N 1 1 307.350 2.415 20 5 DEBDMO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000127498640 525730431 /nfs/dbraw/zinc/73/04/31/525730431.db2.gz FSJWYXGRCPKNFP-LSDHHAIUSA-N 1 1 320.437 2.190 20 5 DEBDMO NC(=O)C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000339532407 526903852 /nfs/dbraw/zinc/90/38/52/526903852.db2.gz RNKKPMJHOPKVGS-GFCCVEGCSA-N 1 1 305.359 2.363 20 5 DEBDMO CC(C)(CCC(=O)Nc1c[nH+]ccc1-n1cccn1)[N+](=O)[O-] ZINC000294778284 527007703 /nfs/dbraw/zinc/00/77/03/527007703.db2.gz ZRCVDTUNAPKNQF-UHFFFAOYSA-N 1 1 303.322 2.041 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000299352951 529021957 /nfs/dbraw/zinc/02/19/57/529021957.db2.gz HIAHSBYRKYYJCW-CQSZACIVSA-N 1 1 319.405 2.374 20 5 DEBDMO CC[NH+]1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000450925222 535674671 /nfs/dbraw/zinc/67/46/71/535674671.db2.gz XAPBZKPOWMEFTG-UHFFFAOYSA-N 1 1 306.410 2.423 20 5 DEBDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000451571794 536684028 /nfs/dbraw/zinc/68/40/28/536684028.db2.gz PZFKIQQPKIJSBU-SWLSCSKDSA-N 1 1 321.377 2.199 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000451571794 536684036 /nfs/dbraw/zinc/68/40/36/536684036.db2.gz PZFKIQQPKIJSBU-SWLSCSKDSA-N 1 1 321.377 2.199 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000179368716 625625619 /nfs/dbraw/zinc/62/56/19/625625619.db2.gz KHHRDMIGYIYNCX-AWEZNQCLSA-N 1 1 306.362 2.488 20 5 DEBDMO CCC[N@H+]1CC[C@@H](CNCc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892668164 625255706 /nfs/dbraw/zinc/25/57/06/625255706.db2.gz IRVNYJGOWHRDPT-LBPRGKRZSA-N 1 1 323.393 2.131 20 5 DEBDMO Cc1nn(C[N@@H+]2CCCO[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000179547530 625796135 /nfs/dbraw/zinc/79/61/35/625796135.db2.gz TYXSCTXRILTTMO-LLVKDONJSA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1nn(C[N@H+]2CCCO[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000179547530 625796139 /nfs/dbraw/zinc/79/61/39/625796139.db2.gz TYXSCTXRILTTMO-LLVKDONJSA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1cc(C(=O)OCCC[N@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000893393766 633242585 /nfs/dbraw/zinc/24/25/85/633242585.db2.gz PNKBCOHMXFXKDP-CYBMUJFWSA-N 1 1 322.361 2.171 20 5 DEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000981137977 635323542 /nfs/dbraw/zinc/32/35/42/635323542.db2.gz JBXNJZOKKZLWCI-HZPDHXFCSA-N 1 1 321.421 2.076 20 5 DEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC000981137977 635323546 /nfs/dbraw/zinc/32/35/46/635323546.db2.gz JBXNJZOKKZLWCI-HZPDHXFCSA-N 1 1 321.421 2.076 20 5 DEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000981137977 635323557 /nfs/dbraw/zinc/32/35/57/635323557.db2.gz JBXNJZOKKZLWCI-HZPDHXFCSA-N 1 1 321.421 2.076 20 5 DEBDMO O=C(NC1CC[NH+](CCC2=CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002788086 635796620 /nfs/dbraw/zinc/79/66/20/635796620.db2.gz NFKYTIVNCUBIAD-HZPDHXFCSA-N 1 1 321.421 2.123 20 5 DEBDMO CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000922157630 635906512 /nfs/dbraw/zinc/90/65/12/635906512.db2.gz AQWOGEYSLNXBRG-SECBINFHSA-N 1 1 313.304 2.005 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000922157630 635906516 /nfs/dbraw/zinc/90/65/16/635906516.db2.gz AQWOGEYSLNXBRG-SECBINFHSA-N 1 1 313.304 2.005 20 5 DEBDMO C[C@@H]1[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000922556985 636239705 /nfs/dbraw/zinc/23/97/05/636239705.db2.gz LKVBWKMMPVIIJB-SKDRFNHKSA-N 1 1 315.320 2.378 20 5 DEBDMO C[C@@H]1[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000922556985 636239713 /nfs/dbraw/zinc/23/97/13/636239713.db2.gz LKVBWKMMPVIIJB-SKDRFNHKSA-N 1 1 315.320 2.378 20 5 DEBDMO CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001005382344 636727547 /nfs/dbraw/zinc/72/75/47/636727547.db2.gz QEWATCBTGWPNQA-HUUCEWRRSA-N 1 1 311.426 2.011 20 5 DEBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CC2CCCCC2)CC1 ZINC001005383676 636727578 /nfs/dbraw/zinc/72/75/78/636727578.db2.gz UZLCZBKMUYRPKQ-HZPDHXFCSA-N 1 1 323.437 2.155 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000923276789 637076325 /nfs/dbraw/zinc/07/63/25/637076325.db2.gz DJJNUXXGSKYQOE-NWDGAFQWSA-N 1 1 307.325 2.043 20 5 DEBDMO Cc1cc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928431062 637165535 /nfs/dbraw/zinc/16/55/35/637165535.db2.gz BDCHDOQTOPKTQO-SKDRFNHKSA-N 1 1 311.769 2.379 20 5 DEBDMO CC[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCC1 ZINC000738056716 637385513 /nfs/dbraw/zinc/38/55/13/637385513.db2.gz PZZGOMQWUSDWSL-UHFFFAOYSA-N 1 1 303.318 2.023 20 5 DEBDMO CC[N@@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCC1 ZINC000738056716 637385516 /nfs/dbraw/zinc/38/55/16/637385516.db2.gz PZZGOMQWUSDWSL-UHFFFAOYSA-N 1 1 303.318 2.023 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000895192357 637775499 /nfs/dbraw/zinc/77/54/99/637775499.db2.gz FMRIGUJWYYLXCD-CMPLNLGQSA-N 1 1 301.350 2.144 20 5 DEBDMO CCC[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740859083 637911604 /nfs/dbraw/zinc/91/16/04/637911604.db2.gz NCUXEWUGHXMABG-BNOWGMLFSA-N 1 1 308.382 2.274 20 5 DEBDMO CC(C)c1ccc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000895331105 637939142 /nfs/dbraw/zinc/93/91/42/637939142.db2.gz NOUIQMPSPOPARC-CJNGLKHVSA-N 1 1 308.378 2.036 20 5 DEBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]2C1 ZINC000895575718 638089584 /nfs/dbraw/zinc/08/95/84/638089584.db2.gz GJUNBXFTOJIGFG-BETUJISGSA-N 1 1 323.780 2.158 20 5 DEBDMO Cc1nc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)ccc1[N+](=O)[O-] ZINC000895565990 638091260 /nfs/dbraw/zinc/09/12/60/638091260.db2.gz GKYAFFBRBPMVJC-DGCLKSJQSA-N 1 1 308.407 2.290 20 5 DEBDMO CC[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1COC ZINC000895803972 638205897 /nfs/dbraw/zinc/20/58/97/638205897.db2.gz GKYBFYPGECCJNP-CQSZACIVSA-N 1 1 323.393 2.264 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCCNC3)CC2)cc1 ZINC000841091488 650428894 /nfs/dbraw/zinc/42/88/94/650428894.db2.gz YYUYFCTYLJYIBZ-HNNXBMFYSA-N 1 1 318.421 2.295 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000841091488 650428899 /nfs/dbraw/zinc/42/88/99/650428899.db2.gz YYUYFCTYLJYIBZ-HNNXBMFYSA-N 1 1 318.421 2.295 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896377672 638494079 /nfs/dbraw/zinc/49/40/79/638494079.db2.gz KEBATLCDQDIYGW-CYBMUJFWSA-N 1 1 306.362 2.406 20 5 DEBDMO C[N@@H+](C[C@@H]1CCOC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000749968171 638699592 /nfs/dbraw/zinc/69/95/92/638699592.db2.gz VPFZXFBTORGZHJ-ZDUSSCGKSA-N 1 1 316.361 2.384 20 5 DEBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC[C@@H](O)c1ccccc1)CC2 ZINC000839544680 639753481 /nfs/dbraw/zinc/75/34/81/639753481.db2.gz LWVVPWDKVGHECE-QGZVFWFLSA-N 1 1 313.357 2.472 20 5 DEBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC[C@@H](O)c1ccccc1)CC2 ZINC000839544680 639753488 /nfs/dbraw/zinc/75/34/88/639753488.db2.gz LWVVPWDKVGHECE-QGZVFWFLSA-N 1 1 313.357 2.472 20 5 DEBDMO CC(C)Oc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000839691833 639794643 /nfs/dbraw/zinc/79/46/43/639794643.db2.gz HQKBWKFSRSCOMK-LBPRGKRZSA-N 1 1 321.377 2.158 20 5 DEBDMO CC(C)Oc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000839691833 639794645 /nfs/dbraw/zinc/79/46/45/639794645.db2.gz HQKBWKFSRSCOMK-LBPRGKRZSA-N 1 1 321.377 2.158 20 5 DEBDMO C[C@@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)[C@H]1C ZINC000841688746 650540168 /nfs/dbraw/zinc/54/01/68/650540168.db2.gz GQYRKODTZKEHGK-VWYCJHECSA-N 1 1 305.334 2.437 20 5 DEBDMO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)NC1CCCC1 ZINC000761519642 640320792 /nfs/dbraw/zinc/32/07/92/640320792.db2.gz CKZMLJBRFJTGHZ-UHFFFAOYSA-N 1 1 311.769 2.397 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000897475911 640454975 /nfs/dbraw/zinc/45/49/75/640454975.db2.gz FOPUQMKEAXOXAD-ZDUSSCGKSA-N 1 1 320.393 2.221 20 5 DEBDMO CC[N@H+](CC(C)C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000054514128 640644642 /nfs/dbraw/zinc/64/46/42/640644642.db2.gz YSBBRZNIETWRJJ-UHFFFAOYSA-N 1 1 305.334 2.126 20 5 DEBDMO CC[N@@H+](CC(C)C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000054514128 640644646 /nfs/dbraw/zinc/64/46/46/640644646.db2.gz YSBBRZNIETWRJJ-UHFFFAOYSA-N 1 1 305.334 2.126 20 5 DEBDMO Cc1nn(C[N@H+](C)C[C@@H]2CCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000765005906 640724664 /nfs/dbraw/zinc/72/46/64/640724664.db2.gz HUEDWEAOTZWJFF-ZDUSSCGKSA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1nn(C[N@@H+](C)C[C@@H]2CCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000765005906 640724670 /nfs/dbraw/zinc/72/46/70/640724670.db2.gz HUEDWEAOTZWJFF-ZDUSSCGKSA-N 1 1 304.350 2.321 20 5 DEBDMO O=C(C[NH2+]Cc1ccccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000729685189 640825982 /nfs/dbraw/zinc/82/59/82/640825982.db2.gz XIKZUKBOQKEOIA-UHFFFAOYSA-N 1 1 311.341 2.274 20 5 DEBDMO CCC[C@]1(CO)CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000769912196 641308529 /nfs/dbraw/zinc/30/85/29/641308529.db2.gz CIJDJWNZDQRZSR-JKSUJKDBSA-N 1 1 308.378 2.255 20 5 DEBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000771394496 641504754 /nfs/dbraw/zinc/50/47/54/641504754.db2.gz HWXUPYPISAMVEJ-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000771394496 641504760 /nfs/dbraw/zinc/50/47/60/641504760.db2.gz HWXUPYPISAMVEJ-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000772029428 641589592 /nfs/dbraw/zinc/58/95/92/641589592.db2.gz KIKALXJQLSRBLR-UHFFFAOYSA-N 1 1 314.301 2.438 20 5 DEBDMO C[C@H]([NH2+]CCCNC(=O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000775576644 642062518 /nfs/dbraw/zinc/06/25/18/642062518.db2.gz LWKNYZKJOVWQCF-VIFPVBQESA-N 1 1 319.283 2.314 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776277572 642152652 /nfs/dbraw/zinc/15/26/52/642152652.db2.gz OCZAULQMLLJGQO-XOKHGSTOSA-N 1 1 321.421 2.433 20 5 DEBDMO COc1ccc([C@@H](CNCC[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000899859486 642194546 /nfs/dbraw/zinc/19/45/46/642194546.db2.gz KRVKGPPTPOZNNM-MRXNPFEDSA-N 1 1 307.394 2.089 20 5 DEBDMO C[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[C@@H]1CCOC1 ZINC000777955796 642325167 /nfs/dbraw/zinc/32/51/67/642325167.db2.gz UKJIPMSKEVQSBW-OAHLLOKOSA-N 1 1 302.334 2.137 20 5 DEBDMO C[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[C@@H]1CCOC1 ZINC000777955796 642325173 /nfs/dbraw/zinc/32/51/73/642325173.db2.gz UKJIPMSKEVQSBW-OAHLLOKOSA-N 1 1 302.334 2.137 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000778143224 642342470 /nfs/dbraw/zinc/34/24/70/642342470.db2.gz KWIPAAODEWKFFT-LLVKDONJSA-N 1 1 307.350 2.208 20 5 DEBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@H]1O ZINC000778247557 642360185 /nfs/dbraw/zinc/36/01/85/642360185.db2.gz XTOOYMSFANCNEI-IMJJTQAJSA-N 1 1 308.378 2.111 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000900771699 642465638 /nfs/dbraw/zinc/46/56/38/642465638.db2.gz TWCZNYYKHWDQOL-CQSZACIVSA-N 1 1 303.362 2.357 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000900771699 642465641 /nfs/dbraw/zinc/46/56/41/642465641.db2.gz TWCZNYYKHWDQOL-CQSZACIVSA-N 1 1 303.362 2.357 20 5 DEBDMO CC[N@H+](CCSC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000842645162 650794011 /nfs/dbraw/zinc/79/40/11/650794011.db2.gz ATDDWDQXCXMJBG-UHFFFAOYSA-N 1 1 321.406 2.496 20 5 DEBDMO CC[N@@H+](CCSC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000842645162 650794015 /nfs/dbraw/zinc/79/40/15/650794015.db2.gz ATDDWDQXCXMJBG-UHFFFAOYSA-N 1 1 321.406 2.496 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000783914662 643067593 /nfs/dbraw/zinc/06/75/93/643067593.db2.gz BLSBVRDDQBORNL-SNVBAGLBSA-N 1 1 311.769 2.462 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783918042 643068735 /nfs/dbraw/zinc/06/87/35/643068735.db2.gz CLUIUSGQXCIDDT-JTQLQIEISA-N 1 1 311.769 2.462 20 5 DEBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000785545475 643247263 /nfs/dbraw/zinc/24/72/63/643247263.db2.gz GTDXHPHHVWBZJK-BHTHQVBYSA-N 1 1 308.378 2.110 20 5 DEBDMO Cc1ccc(N(C)CC[N@@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000788565883 643624603 /nfs/dbraw/zinc/62/46/03/643624603.db2.gz NUTMPGUNRKCDNN-UHFFFAOYSA-N 1 1 307.394 2.450 20 5 DEBDMO Cc1ccc(N(C)CC[N@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000788565883 643624606 /nfs/dbraw/zinc/62/46/06/643624606.db2.gz NUTMPGUNRKCDNN-UHFFFAOYSA-N 1 1 307.394 2.450 20 5 DEBDMO C[N@@H+](Cc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1)C(C)(C)C ZINC000905056636 643781948 /nfs/dbraw/zinc/78/19/48/643781948.db2.gz AJQZCQBUCFJEKQ-UHFFFAOYSA-N 1 1 305.338 2.111 20 5 DEBDMO Cc1noc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000796695808 644777845 /nfs/dbraw/zinc/77/78/45/644777845.db2.gz PMIBOGTZKAYYDI-KBPBESRZSA-N 1 1 318.333 2.157 20 5 DEBDMO Cc1noc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000796695808 644777851 /nfs/dbraw/zinc/77/78/51/644777851.db2.gz PMIBOGTZKAYYDI-KBPBESRZSA-N 1 1 318.333 2.157 20 5 DEBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000797604177 644900755 /nfs/dbraw/zinc/90/07/55/644900755.db2.gz ALBQMLQOHXPYGY-AWEZNQCLSA-N 1 1 311.769 2.206 20 5 DEBDMO CSCCC[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000799160609 645135326 /nfs/dbraw/zinc/13/53/26/645135326.db2.gz UWUZTBUUGAFHDJ-UHFFFAOYSA-N 1 1 309.395 2.290 20 5 DEBDMO CN(C)c1cc[nH+]c(N(C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000800887661 645316824 /nfs/dbraw/zinc/31/68/24/645316824.db2.gz XACLJDIKAAJONK-UHFFFAOYSA-N 1 1 301.350 2.130 20 5 DEBDMO CC1CC[NH+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000839949411 645469854 /nfs/dbraw/zinc/46/98/54/645469854.db2.gz ITGMLFHCQOTMRV-INIZCTEOSA-N 1 1 319.361 2.221 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000843819209 651035627 /nfs/dbraw/zinc/03/56/27/651035627.db2.gz TUYKVKPMVNTJKZ-GXSJLCMTSA-N 1 1 321.352 2.397 20 5 DEBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000804347087 645758955 /nfs/dbraw/zinc/75/89/55/645758955.db2.gz FNWKZELZNNBVKU-SNVBAGLBSA-N 1 1 306.322 2.399 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804524432 645785217 /nfs/dbraw/zinc/78/52/17/645785217.db2.gz QKKUVMDGFFMWFM-NSHDSACASA-N 1 1 308.338 2.281 20 5 DEBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000840068425 645859448 /nfs/dbraw/zinc/85/94/48/645859448.db2.gz XXUATSLBELPTJQ-HOCLYGCPSA-N 1 1 317.389 2.285 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000840068425 645859458 /nfs/dbraw/zinc/85/94/58/645859458.db2.gz XXUATSLBELPTJQ-HOCLYGCPSA-N 1 1 317.389 2.285 20 5 DEBDMO CO[C@H]1C[C@@H]([N@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)C12CCC2 ZINC000840138543 646082871 /nfs/dbraw/zinc/08/28/71/646082871.db2.gz FCENVHBWBPQXGD-OLZOCXBDSA-N 1 1 308.382 2.255 20 5 DEBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)C12CCC2 ZINC000840138543 646082875 /nfs/dbraw/zinc/08/28/75/646082875.db2.gz FCENVHBWBPQXGD-OLZOCXBDSA-N 1 1 308.382 2.255 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000810611793 646386086 /nfs/dbraw/zinc/38/60/86/646386086.db2.gz ICPWRAAOBQVKGE-JTQLQIEISA-N 1 1 319.317 2.354 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000171375227 646697335 /nfs/dbraw/zinc/69/73/35/646697335.db2.gz SLHDULUDOCRDCJ-LLVKDONJSA-N 1 1 310.325 2.319 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](OCCO)C2)c1 ZINC000172180812 646725912 /nfs/dbraw/zinc/72/59/12/646725912.db2.gz UKDXTTYGIMSUOA-ZDUSSCGKSA-N 1 1 314.769 2.222 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](OCCO)C2)c1 ZINC000172180812 646725915 /nfs/dbraw/zinc/72/59/15/646725915.db2.gz UKDXTTYGIMSUOA-ZDUSSCGKSA-N 1 1 314.769 2.222 20 5 DEBDMO CCO[C@@H](C)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171545 646743061 /nfs/dbraw/zinc/74/30/61/646743061.db2.gz YOEZXLHQQRXMIY-WFASDCNBSA-N 1 1 322.361 2.137 20 5 DEBDMO CCO[C@@H](C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171545 646743068 /nfs/dbraw/zinc/74/30/68/646743068.db2.gz YOEZXLHQQRXMIY-WFASDCNBSA-N 1 1 322.361 2.137 20 5 DEBDMO C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000914315129 647260391 /nfs/dbraw/zinc/26/03/91/647260391.db2.gz LILHZIXDDGVLSU-DGCLKSJQSA-N 1 1 306.366 2.049 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000817751799 647354296 /nfs/dbraw/zinc/35/42/96/647354296.db2.gz JKEWYEZXHNZSRP-CYBMUJFWSA-N 1 1 305.378 2.426 20 5 DEBDMO CC(C)N1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818941151 647544276 /nfs/dbraw/zinc/54/42/76/647544276.db2.gz PSWFUMSUMHTULI-MRXNPFEDSA-N 1 1 307.394 2.091 20 5 DEBDMO C[C@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000818957253 647549869 /nfs/dbraw/zinc/54/98/69/647549869.db2.gz UJKUTWVPAKUBNR-CPUCHLNUSA-N 1 1 321.421 2.338 20 5 DEBDMO C[C@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000818957253 647549873 /nfs/dbraw/zinc/54/98/73/647549873.db2.gz UJKUTWVPAKUBNR-CPUCHLNUSA-N 1 1 321.421 2.338 20 5 DEBDMO C[C@@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000818980551 647556621 /nfs/dbraw/zinc/55/66/21/647556621.db2.gz KYZKBDXCHRMTOF-WMLDXEAASA-N 1 1 321.421 2.338 20 5 DEBDMO CC[C@H](C[NH+]1CCCC1)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819078996 647579491 /nfs/dbraw/zinc/57/94/91/647579491.db2.gz PKXGKHKLWANOBI-ZBFHGGJFSA-N 1 1 307.394 2.092 20 5 DEBDMO C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000819101562 647583857 /nfs/dbraw/zinc/58/38/57/647583857.db2.gz BDATZWFAHLTXTL-WFASDCNBSA-N 1 1 309.410 2.194 20 5 DEBDMO COCc1nc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000819323019 647634616 /nfs/dbraw/zinc/63/46/16/647634616.db2.gz YDYKSXNCORTKOG-ZDUSSCGKSA-N 1 1 323.374 2.021 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819324441 647634792 /nfs/dbraw/zinc/63/47/92/647634792.db2.gz OYLSBZXEUAKTDT-CJNGLKHVSA-N 1 1 309.410 2.338 20 5 DEBDMO CCCN(CC)C[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819324441 647634794 /nfs/dbraw/zinc/63/47/94/647634794.db2.gz OYLSBZXEUAKTDT-CJNGLKHVSA-N 1 1 309.410 2.338 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000819717168 647714889 /nfs/dbraw/zinc/71/48/89/647714889.db2.gz BRJVQRLURJOJGL-IINYFYTJSA-N 1 1 323.780 2.414 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000917027952 647956581 /nfs/dbraw/zinc/95/65/81/647956581.db2.gz PZCLMONOWBGFIN-FZMZJTMJSA-N 1 1 304.350 2.071 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000822986844 648328336 /nfs/dbraw/zinc/32/83/36/648328336.db2.gz ILCMVVNBOQIYQI-UHFFFAOYSA-N 1 1 306.297 2.059 20 5 DEBDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823997266 648508807 /nfs/dbraw/zinc/50/88/07/648508807.db2.gz AGZZUBXVZVJCMG-NSHDSACASA-N 1 1 321.381 2.030 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000825339005 648744627 /nfs/dbraw/zinc/74/46/27/648744627.db2.gz XYPNVSSXNCPVKT-CQSZACIVSA-N 1 1 322.365 2.418 20 5 DEBDMO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000070938060 649035778 /nfs/dbraw/zinc/03/57/78/649035778.db2.gz NTGKARQOWXFJDA-UHFFFAOYSA-N 1 1 313.785 2.141 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C[N@H+]1C1CC1 ZINC000829863579 649366520 /nfs/dbraw/zinc/36/65/20/649366520.db2.gz PUUGUIMRZPCTIG-NXEZZACHSA-N 1 1 307.325 2.089 20 5 DEBDMO C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000830087255 649392025 /nfs/dbraw/zinc/39/20/25/649392025.db2.gz BTILHAJIIPSEDH-DYVFJYSZSA-N 1 1 319.405 2.044 20 5 DEBDMO C[C@H]1CN(C2CC2)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830087255 649392027 /nfs/dbraw/zinc/39/20/27/649392027.db2.gz BTILHAJIIPSEDH-DYVFJYSZSA-N 1 1 319.405 2.044 20 5 DEBDMO C[C@H]1CN(C2CC2)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830087255 649392029 /nfs/dbraw/zinc/39/20/29/649392029.db2.gz BTILHAJIIPSEDH-DYVFJYSZSA-N 1 1 319.405 2.044 20 5 DEBDMO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000830101640 649393818 /nfs/dbraw/zinc/39/38/18/649393818.db2.gz ZJCVLBOSKHSOCY-LLVKDONJSA-N 1 1 323.324 2.008 20 5 DEBDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000830101640 649393826 /nfs/dbraw/zinc/39/38/26/649393826.db2.gz ZJCVLBOSKHSOCY-LLVKDONJSA-N 1 1 323.324 2.008 20 5 DEBDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000830125037 649397980 /nfs/dbraw/zinc/39/79/80/649397980.db2.gz SXCHCIXROZGDLJ-GFCCVEGCSA-N 1 1 323.324 2.008 20 5 DEBDMO C[N@H+]1CC[C@@H](CCOC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000847822995 651420951 /nfs/dbraw/zinc/42/09/51/651420951.db2.gz CBFXRNVOTTUHQA-AWEZNQCLSA-N 1 1 306.362 2.412 20 5 DEBDMO CCOc1ccc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000847830304 651421994 /nfs/dbraw/zinc/42/19/94/651421994.db2.gz PMGYVIXJPNQOJC-LBPRGKRZSA-N 1 1 322.361 2.492 20 5 DEBDMO CCOC(=O)CC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C(C)C ZINC000848501499 651464624 /nfs/dbraw/zinc/46/46/24/651464624.db2.gz JKWVUXVOSNSMTQ-UHFFFAOYSA-N 1 1 312.370 2.029 20 5 DEBDMO CCOC(=O)CC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C(C)C ZINC000848501499 651464625 /nfs/dbraw/zinc/46/46/25/651464625.db2.gz JKWVUXVOSNSMTQ-UHFFFAOYSA-N 1 1 312.370 2.029 20 5 DEBDMO COc1ccc(OCCO[NH+]=C(N)[C@@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000848520452 651466319 /nfs/dbraw/zinc/46/63/19/651466319.db2.gz OXZHHORCZOHBTD-MWLCHTKSSA-N 1 1 309.322 2.137 20 5 DEBDMO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1O ZINC000930163225 651949129 /nfs/dbraw/zinc/94/91/29/651949129.db2.gz RIYFTOQWYRLTTG-PELKAZGASA-N 1 1 315.167 2.170 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1O ZINC000930163225 651949138 /nfs/dbraw/zinc/94/91/38/651949138.db2.gz RIYFTOQWYRLTTG-PELKAZGASA-N 1 1 315.167 2.170 20 5 DEBDMO CCn1ncc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000858205778 652278198 /nfs/dbraw/zinc/27/81/98/652278198.db2.gz BRHANOYDMCPVNQ-GHXNOFRVSA-N 1 1 301.350 2.399 20 5 DEBDMO Cc1noc(C[NH2+][C@H]2CCc3ccccc3OC2)c1[N+](=O)[O-] ZINC000852017282 652313667 /nfs/dbraw/zinc/31/36/67/652313667.db2.gz ADXYICBBYNTXBI-LBPRGKRZSA-N 1 1 303.318 2.375 20 5 DEBDMO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852094615 652336974 /nfs/dbraw/zinc/33/69/74/652336974.db2.gz MARDBEFDZLKODU-NSHDSACASA-N 1 1 323.324 2.008 20 5 DEBDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852094615 652336977 /nfs/dbraw/zinc/33/69/77/652336977.db2.gz MARDBEFDZLKODU-NSHDSACASA-N 1 1 323.324 2.008 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852358747 652391515 /nfs/dbraw/zinc/39/15/15/652391515.db2.gz AMOCODOZSIBCPK-GXTWGEPZSA-N 1 1 320.393 2.439 20 5 DEBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852426394 652399461 /nfs/dbraw/zinc/39/94/61/652399461.db2.gz QRBPQTUCKGWDKX-FZMZJTMJSA-N 1 1 323.349 2.486 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000853028164 652491517 /nfs/dbraw/zinc/49/15/17/652491517.db2.gz KHYAQMUYBQAXST-GFCCVEGCSA-N 1 1 308.407 2.366 20 5 DEBDMO Cc1noc(COC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000853913616 652620815 /nfs/dbraw/zinc/62/08/15/652620815.db2.gz ABRVAHGBEYUJOO-LBPRGKRZSA-N 1 1 323.349 2.341 20 5 DEBDMO Cc1noc(COC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000853913616 652620818 /nfs/dbraw/zinc/62/08/18/652620818.db2.gz ABRVAHGBEYUJOO-LBPRGKRZSA-N 1 1 323.349 2.341 20 5 DEBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000861034178 685987763 /nfs/dbraw/zinc/98/77/63/685987763.db2.gz KBSFNXCVOFGWIZ-AWEZNQCLSA-N 1 1 322.361 2.171 20 5 DEBDMO O=C(OCC[NH+]1CCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000861391603 686073654 /nfs/dbraw/zinc/07/36/54/686073654.db2.gz VEOAJEKCFARFLG-UHFFFAOYSA-N 1 1 318.251 2.476 20 5 DEBDMO O=[N+]([O-])CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000929773054 694026011 /nfs/dbraw/zinc/02/60/11/694026011.db2.gz RRSFDWJROHSVOY-QGZVFWFLSA-N 1 1 303.406 2.251 20 5 DEBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000929954411 694058423 /nfs/dbraw/zinc/05/84/23/694058423.db2.gz IBVQMROZEXKZHN-GFCCVEGCSA-N 1 1 320.324 2.332 20 5 DEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000929954411 694058429 /nfs/dbraw/zinc/05/84/29/694058429.db2.gz IBVQMROZEXKZHN-GFCCVEGCSA-N 1 1 320.324 2.332 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865032570 686919706 /nfs/dbraw/zinc/91/97/06/686919706.db2.gz BBYPRCJEPSJLOK-GFCCVEGCSA-N 1 1 323.368 2.123 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000865266873 687162725 /nfs/dbraw/zinc/16/27/25/687162725.db2.gz CKQAACJTYKWSHZ-BXUZGUMPSA-N 1 1 320.418 2.318 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865871151 687362737 /nfs/dbraw/zinc/36/27/37/687362737.db2.gz FWRWJAJLXGENHZ-NSHDSACASA-N 1 1 311.357 2.370 20 5 DEBDMO O=[N+]([O-])c1cccnc1N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000866000071 687405330 /nfs/dbraw/zinc/40/53/30/687405330.db2.gz PGUWUAPLMIIBKJ-UHFFFAOYSA-N 1 1 310.357 2.312 20 5 DEBDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000866194685 687487490 /nfs/dbraw/zinc/48/74/90/687487490.db2.gz JNBFZLMJNALUIL-ZDUSSCGKSA-N 1 1 324.344 2.236 20 5 DEBDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000866194685 687487491 /nfs/dbraw/zinc/48/74/91/687487491.db2.gz JNBFZLMJNALUIL-ZDUSSCGKSA-N 1 1 324.344 2.236 20 5 DEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866209216 687492893 /nfs/dbraw/zinc/49/28/93/687492893.db2.gz QAVCFPHHQCAPSC-WFASDCNBSA-N 1 1 303.362 2.328 20 5 DEBDMO CC[C@@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1cccc([N+](=O)[O-])c1 ZINC000866411748 687564640 /nfs/dbraw/zinc/56/46/40/687564640.db2.gz VFNHMWAIISRHNT-GOEBONIOSA-N 1 1 321.421 2.481 20 5 DEBDMO CC[C@@H](N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1cccc([N+](=O)[O-])c1 ZINC000866411748 687564646 /nfs/dbraw/zinc/56/46/46/687564646.db2.gz VFNHMWAIISRHNT-GOEBONIOSA-N 1 1 321.421 2.481 20 5 DEBDMO CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000866709425 687661732 /nfs/dbraw/zinc/66/17/32/687661732.db2.gz XNHFBZHYGHCTTB-INIZCTEOSA-N 1 1 307.394 2.497 20 5 DEBDMO CC[C@@]1(C)CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867951307 687847504 /nfs/dbraw/zinc/84/75/04/687847504.db2.gz HFPFQGVHBOFHHR-HOTGVXAUSA-N 1 1 305.378 2.417 20 5 DEBDMO C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000867983841 687860409 /nfs/dbraw/zinc/86/04/09/687860409.db2.gz IOPYXVXVORAOSF-XHBSWPGZSA-N 1 1 305.378 2.416 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868013434 687876133 /nfs/dbraw/zinc/87/61/33/687876133.db2.gz GQIJEXMVVXMZTE-CQSZACIVSA-N 1 1 320.393 2.187 20 5 DEBDMO CCOc1ccc([C@@H](O)C2CC[NH+](CC[N+](=O)[O-])CC2)cc1 ZINC000930534192 694183491 /nfs/dbraw/zinc/18/34/91/694183491.db2.gz VVVUDMWEYMNGSK-MRXNPFEDSA-N 1 1 308.378 2.107 20 5 DEBDMO C[N@H+]1CCCC[C@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000869415510 688298717 /nfs/dbraw/zinc/29/87/17/688298717.db2.gz HGYCPSHVGAHNAX-GFCCVEGCSA-N 1 1 323.368 2.125 20 5 DEBDMO CC(C)N1C[C@@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1=O ZINC000872046944 688919135 /nfs/dbraw/zinc/91/91/35/688919135.db2.gz AABXVMZEQXKUAO-QWRGUYRKSA-N 1 1 309.341 2.394 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000872712343 689071310 /nfs/dbraw/zinc/07/13/10/689071310.db2.gz LTXDRSXNKDGVNZ-TXEJJXNPSA-N 1 1 315.329 2.358 20 5 DEBDMO Cc1ccc(C[N@H+]2[C@H](C)CC[C@@H](C(N)=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000930914290 694271518 /nfs/dbraw/zinc/27/15/18/694271518.db2.gz TXUOGYYGGBNBRJ-YRGRVCCFSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000874849596 689517961 /nfs/dbraw/zinc/51/79/61/689517961.db2.gz KGNXVPYRBCBKOD-HUUCEWRRSA-N 1 1 303.362 2.212 20 5 DEBDMO COc1cc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000877753123 690216629 /nfs/dbraw/zinc/21/66/29/690216629.db2.gz NBOKTTIORPINHM-LBPRGKRZSA-N 1 1 324.377 2.205 20 5 DEBDMO COc1cc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000877753123 690216633 /nfs/dbraw/zinc/21/66/33/690216633.db2.gz NBOKTTIORPINHM-LBPRGKRZSA-N 1 1 324.377 2.205 20 5 DEBDMO Cn1cc(C[N@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)c([N+](=O)[O-])n1 ZINC000879248024 690602691 /nfs/dbraw/zinc/60/26/91/690602691.db2.gz ZEKQZAPCYHXDNA-CABCVRRESA-N 1 1 316.361 2.026 20 5 DEBDMO CO[C@@H]1CC[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000879318365 690617945 /nfs/dbraw/zinc/61/79/45/690617945.db2.gz LMWAONPVJAUALG-XHDPSFHLSA-N 1 1 322.361 2.461 20 5 DEBDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000879318365 690617947 /nfs/dbraw/zinc/61/79/47/690617947.db2.gz LMWAONPVJAUALG-XHDPSFHLSA-N 1 1 322.361 2.461 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@]3(CCc4ccccc43)C2)n1 ZINC000879996383 690776426 /nfs/dbraw/zinc/77/64/26/690776426.db2.gz BPVNYNJRZINMEN-KRWDZBQOSA-N 1 1 312.373 2.381 20 5 DEBDMO C[C@]1(C(F)(F)F)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000880002937 690778546 /nfs/dbraw/zinc/77/85/46/690778546.db2.gz ULVCRWONFAKDPI-LBPRGKRZSA-N 1 1 319.283 2.031 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCOc1ccc([N+](=O)[O-])cc1 ZINC000880130719 690811602 /nfs/dbraw/zinc/81/16/02/690811602.db2.gz FXKSSXXBQSAPQG-JKSUJKDBSA-N 1 1 305.378 2.142 20 5 DEBDMO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000880130719 690811606 /nfs/dbraw/zinc/81/16/06/690811606.db2.gz FXKSSXXBQSAPQG-JKSUJKDBSA-N 1 1 305.378 2.142 20 5 DEBDMO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000880130719 690811609 /nfs/dbraw/zinc/81/16/09/690811609.db2.gz FXKSSXXBQSAPQG-JKSUJKDBSA-N 1 1 305.378 2.142 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000882497528 691298242 /nfs/dbraw/zinc/29/82/42/691298242.db2.gz JQUWMYSHDNGXGI-OAHLLOKOSA-N 1 1 317.389 2.227 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000886136646 692009811 /nfs/dbraw/zinc/00/98/11/692009811.db2.gz SVAISVOOANLJFL-UHFFFAOYSA-N 1 1 313.357 2.473 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000886301057 692048986 /nfs/dbraw/zinc/04/89/86/692048986.db2.gz VBIBPADYUBAWMU-BFHYXJOUSA-N 1 1 319.361 2.153 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000886301057 692048989 /nfs/dbraw/zinc/04/89/89/692048989.db2.gz VBIBPADYUBAWMU-BFHYXJOUSA-N 1 1 319.361 2.153 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](CO)c1ccccc1C ZINC000886445164 692084327 /nfs/dbraw/zinc/08/43/27/692084327.db2.gz YKXYHOMQIUBUMM-HNNXBMFYSA-N 1 1 318.377 2.074 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCCF ZINC000887139734 692290662 /nfs/dbraw/zinc/29/06/62/692290662.db2.gz BFNIEQNGCSFODR-JTQLQIEISA-N 1 1 313.329 2.222 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCCF ZINC000887139734 692290668 /nfs/dbraw/zinc/29/06/68/692290668.db2.gz BFNIEQNGCSFODR-JTQLQIEISA-N 1 1 313.329 2.222 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](C3OCCO3)C2)cc1 ZINC000931998441 694522958 /nfs/dbraw/zinc/52/29/58/694522958.db2.gz DNTBIMOIQIMXFV-ZDUSSCGKSA-N 1 1 322.361 2.059 20 5 DEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887929255 692482562 /nfs/dbraw/zinc/48/25/62/692482562.db2.gz PHCSSVYXVDCFNU-BMIGLBTASA-N 1 1 323.780 2.272 20 5 DEBDMO CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001048489156 692628197 /nfs/dbraw/zinc/62/81/97/692628197.db2.gz HCOUAGXXLYCGBC-ACHSLPGTSA-N 1 1 317.389 2.474 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000890078762 692856985 /nfs/dbraw/zinc/85/69/85/692856985.db2.gz KADDCSBPEOLBMU-UHFFFAOYSA-N 1 1 305.378 2.365 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H](CF)C3)n2)c1 ZINC001333311883 1150031605 /nfs/dbraw/zinc/03/16/05/1150031605.db2.gz VONMUJACQRGXFG-LBPRGKRZSA-N 1 1 319.340 2.492 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC[C@@H](CF)C3)n2)c1 ZINC001333311883 1150031609 /nfs/dbraw/zinc/03/16/09/1150031609.db2.gz VONMUJACQRGXFG-LBPRGKRZSA-N 1 1 319.340 2.492 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1C1CCCC1 ZINC001350603316 1151373920 /nfs/dbraw/zinc/37/39/20/1151373920.db2.gz RJVDTMIVWIKVCQ-LLVKDONJSA-N 1 1 306.366 2.012 20 5 DEBDMO CC[N@H+](CCNC(=O)C=C(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001492907671 1162265729 /nfs/dbraw/zinc/26/57/29/1162265729.db2.gz CAVLPCANDUFCDP-UHFFFAOYSA-N 1 1 305.378 2.499 20 5 DEBDMO CC[N@@H+](CCNC(=O)C=C(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001492907671 1162265733 /nfs/dbraw/zinc/26/57/33/1162265733.db2.gz CAVLPCANDUFCDP-UHFFFAOYSA-N 1 1 305.378 2.499 20 5 DEBDMO C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@H+]1C ZINC000611713171 719188985 /nfs/dbraw/zinc/18/89/85/719188985.db2.gz ZARQYXSQFVXARZ-MNOVXSKESA-N 1 1 301.350 2.067 20 5 DEBDMO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)C[N@@H+](C)C(C)C ZINC001106778694 782930670 /nfs/dbraw/zinc/93/06/70/782930670.db2.gz GSTWXVZPZVDAAN-UHFFFAOYSA-N 1 1 322.409 2.195 20 5 DEBDMO C[N@@H+]1CCCC[C@H]1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000745079802 784673270 /nfs/dbraw/zinc/67/32/70/784673270.db2.gz PJIDWTUJYASRII-AWEZNQCLSA-N 1 1 308.334 2.001 20 5 DEBDMO C[N@H+]1CCCC[C@H]1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000745079802 784673273 /nfs/dbraw/zinc/67/32/73/784673273.db2.gz PJIDWTUJYASRII-AWEZNQCLSA-N 1 1 308.334 2.001 20 5 DEBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000745084278 784677180 /nfs/dbraw/zinc/67/71/80/784677180.db2.gz IHDNYDIVMQNTCB-HNNXBMFYSA-N 1 1 322.361 2.391 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000745084278 784677187 /nfs/dbraw/zinc/67/71/87/784677187.db2.gz IHDNYDIVMQNTCB-HNNXBMFYSA-N 1 1 322.361 2.391 20 5 DEBDMO [NH3+]CC(=O)c1cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168970945 784990881 /nfs/dbraw/zinc/99/08/81/784990881.db2.gz JHZVGQJOIRJDLS-NEPJUHHUSA-N 1 1 301.346 2.401 20 5 DEBDMO CCCOc1cccnc1C(=[NH2+])N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998108 784996298 /nfs/dbraw/zinc/99/62/98/784996298.db2.gz IJFBVGHEBRSIBB-NWDGAFQWSA-N 1 1 306.366 2.231 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)C1 ZINC001169010620 785003476 /nfs/dbraw/zinc/00/34/76/785003476.db2.gz FFLSOEXZHLQZPF-NNYUYHANSA-N 1 1 310.316 2.067 20 5 DEBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169013371 785003745 /nfs/dbraw/zinc/00/37/45/785003745.db2.gz UJWYWZPTZDPFTN-AVGNSLFASA-N 1 1 313.398 2.031 20 5 DEBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169041746 785014497 /nfs/dbraw/zinc/01/44/97/785014497.db2.gz CIROMEPGZCBQBR-XNRPHZJLSA-N 1 1 318.373 2.204 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCOC[C@H]2Cc2ccccc2)C1 ZINC001169050406 785022180 /nfs/dbraw/zinc/02/21/80/785022180.db2.gz ZIJKYKCMARNDHW-YESZJQIVSA-N 1 1 304.390 2.375 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051942 785022478 /nfs/dbraw/zinc/02/24/78/785022478.db2.gz DPJGTFKWUHYOOT-UGUYLWEFSA-N 1 1 313.417 2.330 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051942 785022484 /nfs/dbraw/zinc/02/24/84/785022484.db2.gz DPJGTFKWUHYOOT-UGUYLWEFSA-N 1 1 313.417 2.330 20 5 DEBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001109463368 785888931 /nfs/dbraw/zinc/88/89/31/785888931.db2.gz DJSXLUNKBCWHIQ-UHFFFAOYSA-N 1 1 322.409 2.195 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170329864 786911077 /nfs/dbraw/zinc/91/10/77/786911077.db2.gz WFMJPQLVFMNIOP-BFQNTYOBSA-N 1 1 308.378 2.237 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170335997 786914018 /nfs/dbraw/zinc/91/40/18/786914018.db2.gz SVZNQVSGYNZHHG-XHBSWPGZSA-N 1 1 308.378 2.237 20 5 DEBDMO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)C(=O)OC ZINC001170355927 786919658 /nfs/dbraw/zinc/91/96/58/786919658.db2.gz UOHOITBCILOXMN-NEPJUHHUSA-N 1 1 324.377 2.418 20 5 DEBDMO CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)C(=O)OC ZINC001170355927 786919660 /nfs/dbraw/zinc/91/96/60/786919660.db2.gz UOHOITBCILOXMN-NEPJUHHUSA-N 1 1 324.377 2.418 20 5 DEBDMO COc1ccc(C[C@H](C)N2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170343145 786928892 /nfs/dbraw/zinc/92/88/92/786928892.db2.gz NZEPZFFOJXCIDL-DZGCQCFKSA-N 1 1 319.405 2.314 20 5 DEBDMO CC1(C)C(=O)NCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914584 793530310 /nfs/dbraw/zinc/53/03/10/793530310.db2.gz HZPGMUUTCCFDSZ-CQSZACIVSA-N 1 1 317.389 2.053 20 5 DEBDMO C[C@H]1CN(C)C(=O)C[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918897 793532605 /nfs/dbraw/zinc/53/26/05/793532605.db2.gz CWIBUZBCARHTQW-WFASDCNBSA-N 1 1 317.389 2.005 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(O)CC2)c1F ZINC001173187060 793621809 /nfs/dbraw/zinc/62/18/09/793621809.db2.gz WAKSRIOLCCNIFT-SNVBAGLBSA-N 1 1 312.341 2.130 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC3(COC3)C2)c1F ZINC001173183194 793621881 /nfs/dbraw/zinc/62/18/81/793621881.db2.gz XAVJFPFXQSAHFS-LLVKDONJSA-N 1 1 324.352 2.396 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[N@H+]3CC[C@H]3C2)c1F ZINC001173194585 793625102 /nfs/dbraw/zinc/62/51/02/793625102.db2.gz VWJKCBWIJAZPRT-NEPJUHHUSA-N 1 1 323.368 2.063 20 5 DEBDMO COC(=O)[C@]1(F)CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173224759 793641081 /nfs/dbraw/zinc/64/10/81/793641081.db2.gz GZKYCXYIJDVSFF-NHYWBVRUSA-N 1 1 310.325 2.113 20 5 DEBDMO COC(=O)[C@]1(F)CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173224759 793641086 /nfs/dbraw/zinc/64/10/86/793641086.db2.gz GZKYCXYIJDVSFF-NHYWBVRUSA-N 1 1 310.325 2.113 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001173226676 793643245 /nfs/dbraw/zinc/64/32/45/793643245.db2.gz ROBNPDKQCLMTHQ-SUMWQHHRSA-N 1 1 317.389 2.128 20 5 DEBDMO COC(=O)[C@H]1CCC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173226196 793643421 /nfs/dbraw/zinc/64/34/21/793643421.db2.gz LHPDJCFGJAYTGQ-OCCSQVGLSA-N 1 1 306.362 2.411 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2cnn(C)c2C1 ZINC001173231112 793644991 /nfs/dbraw/zinc/64/49/91/793644991.db2.gz JQVXIXLZHSGPIV-LBPRGKRZSA-N 1 1 300.362 2.318 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(CC(F)F)CC1 ZINC001173235481 793646101 /nfs/dbraw/zinc/64/61/01/793646101.db2.gz XWKXYNHBANOJDU-GFCCVEGCSA-N 1 1 313.348 2.409 20 5 DEBDMO COC(=O)[C@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC001173238743 793656316 /nfs/dbraw/zinc/65/63/16/793656316.db2.gz XDODJTYSCYHSOW-ZOWXZIJZSA-N 1 1 306.362 2.267 20 5 DEBDMO C[N@H+]1CCC=C(n2c3ccccc3nc3cc(N)c(=O)cc2-3)C1 ZINC001175583061 794235310 /nfs/dbraw/zinc/23/53/10/794235310.db2.gz YNAVSLVJKRMPEQ-UHFFFAOYSA-N 1 1 306.369 2.260 20 5 DEBDMO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)N(C)C ZINC001177737529 794739015 /nfs/dbraw/zinc/73/90/15/794739015.db2.gz PJAZMWOSRZXOEA-SECBINFHSA-N 1 1 303.309 2.236 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001116126577 794940064 /nfs/dbraw/zinc/94/00/64/794940064.db2.gz SGWOLRKTLSKXFM-NEPJUHHUSA-N 1 1 320.393 2.191 20 5 DEBDMO O=[N+]([O-])c1c2nonc2ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001120014975 795390378 /nfs/dbraw/zinc/39/03/78/795390378.db2.gz QONWJCJTSILINQ-VHSXEESVSA-N 1 1 303.322 2.170 20 5 DEBDMO Cc1c(CC(=O)NC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC001121154090 795596647 /nfs/dbraw/zinc/59/66/47/795596647.db2.gz GKKKTOJQSKBONP-AWEZNQCLSA-N 1 1 305.378 2.046 20 5 DEBDMO COc1cc(C)nc(NCC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001156378885 797987896 /nfs/dbraw/zinc/98/78/96/797987896.db2.gz PSAZFNMZTBMPJO-LBPRGKRZSA-N 1 1 308.382 2.451 20 5 DEBDMO C[NH+](C)/C=C/c1cc(NCC2(F)CCOCC2)ncc1[N+](=O)[O-] ZINC001157356760 798188331 /nfs/dbraw/zinc/18/83/31/798188331.db2.gz MKOYAQPNBKCUGC-ZZXKWVIFSA-N 1 1 324.356 2.453 20 5 DEBDMO C[NH+](C)/C=C/c1cc(NC[C@@H]2COC(C)(C)O2)ncc1[N+](=O)[O-] ZINC001158926730 798491341 /nfs/dbraw/zinc/49/13/41/798491341.db2.gz WBTCRAXBMVABDH-BTDICHCPSA-N 1 1 322.365 2.086 20 5 DEBDMO C[NH+](C)/C=C/c1cc(N[C@H]2CCC[C@H]2CO)ncc1[N+](=O)[O-] ZINC001162607574 799129091 /nfs/dbraw/zinc/12/90/91/799129091.db2.gz AXPJXAXSYCVCFY-XKZLPGLHSA-N 1 1 306.366 2.095 20 5 DEBDMO C[NH+](C)/C=C/c1cc(N2CC(F)(C3CC3)C2)ncc1[N+](=O)[O-] ZINC001163968998 799467281 /nfs/dbraw/zinc/46/72/81/799467281.db2.gz HJCIGVHJCHLQGK-AATRIKPKSA-N 1 1 306.341 2.460 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000935070670 800548639 /nfs/dbraw/zinc/54/86/39/800548639.db2.gz KEYUVJIEHDIDQW-UHOFOFEASA-N 1 1 317.389 2.251 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935444145 800663684 /nfs/dbraw/zinc/66/36/84/800663684.db2.gz WCIJOLVKKRWQCX-HZPDHXFCSA-N 1 1 317.389 2.251 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC001230491720 801405448 /nfs/dbraw/zinc/40/54/48/801405448.db2.gz APPHILCGKJSUIC-SNVBAGLBSA-N 1 1 318.289 2.402 20 5 DEBDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219228 801820567 /nfs/dbraw/zinc/82/05/67/801820567.db2.gz NTVDLESSLITHMM-HNNXBMFYSA-N 1 1 306.369 2.233 20 5 DEBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219228 801820572 /nfs/dbraw/zinc/82/05/72/801820572.db2.gz NTVDLESSLITHMM-HNNXBMFYSA-N 1 1 306.369 2.233 20 5 DEBDMO C[N@H+]1CC[C@@H]2OCCN(C/C=C\c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001232442625 801881893 /nfs/dbraw/zinc/88/18/93/801881893.db2.gz AVPCWMFPVDILBE-FJKMSNPNSA-N 1 1 317.389 2.013 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc2[nH+]ccn2c1 ZINC001233748140 802197397 /nfs/dbraw/zinc/19/73/97/802197397.db2.gz GIRNAIDNUCLKCK-JTQLQIEISA-N 1 1 301.306 2.215 20 5 DEBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CC[N@H+](C(C)C)C1 ZINC001222774733 802738773 /nfs/dbraw/zinc/73/87/73/802738773.db2.gz SYJNGZICQAEVOB-LBPRGKRZSA-N 1 1 322.361 2.381 20 5 DEBDMO CCC/C=C\CC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223114402 802767427 /nfs/dbraw/zinc/76/74/27/802767427.db2.gz LCIVQAALPOFKQJ-KSLSASGISA-N 1 1 323.437 2.226 20 5 DEBDMO COC(=O)c1c(CO[C@@H]2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC001223293210 802778864 /nfs/dbraw/zinc/77/88/64/802778864.db2.gz IJFZARYJKNQNED-CYBMUJFWSA-N 1 1 322.361 2.382 20 5 DEBDMO CC[N@H+]1CC[C@@H](OCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC001223909376 802822550 /nfs/dbraw/zinc/82/25/50/802822550.db2.gz MEARMANGFDCNFQ-GFCCVEGCSA-N 1 1 310.350 2.223 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CO[C@@H]1CCc2[nH+]ccn2C1 ZINC001223946257 802824827 /nfs/dbraw/zinc/82/48/27/802824827.db2.gz XYIVRHDIMGYWTL-CYBMUJFWSA-N 1 1 303.318 2.332 20 5 DEBDMO C[NH+]1CCC2(CC[C@H](COc3cc(O)ccc3[N+](=O)[O-])O2)CC1 ZINC001225488684 802973165 /nfs/dbraw/zinc/97/31/65/802973165.db2.gz IQOHMLCNTRQOGV-CYBMUJFWSA-N 1 1 322.361 2.323 20 5 DEBDMO O=[N+]([O-])c1ccc(O[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001227465547 803243766 /nfs/dbraw/zinc/24/37/66/803243766.db2.gz GDHUXOJCSKJQDK-JTQLQIEISA-N 1 1 304.262 2.093 20 5 DEBDMO Cc1cc(NC(=O)CCCC[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC001522825234 1069477576 /nfs/dbraw/zinc/47/75/76/1069477576.db2.gz HOPYUBAHVZTSKG-UHFFFAOYSA-N 1 1 321.377 2.344 20 5 DEBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603874807 1070131685 /nfs/dbraw/zinc/13/16/85/1070131685.db2.gz PWPTWRLHXODCMA-WDEREUQCSA-N 1 1 316.365 2.395 20 5 DEBDMO CCc1[nH+]ccn1CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001458604499 1058074127 /nfs/dbraw/zinc/07/41/27/1058074127.db2.gz HEEVZXLLGNKEBQ-UHFFFAOYSA-N 1 1 300.322 2.342 20 5 DEBDMO COc1ccccc1[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001459807054 1058219362 /nfs/dbraw/zinc/21/93/62/1058219362.db2.gz XYWYBLKYSVNKNO-OAHLLOKOSA-N 1 1 302.330 2.427 20 5 DEBDMO CC[N@@H+]1CC[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001463999589 1059060387 /nfs/dbraw/zinc/06/03/87/1059060387.db2.gz ZFNPMPXGVBQQSF-CYBMUJFWSA-N 1 1 311.769 2.301 20 5 DEBDMO CC[N@H+]1CC[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001463999589 1059060408 /nfs/dbraw/zinc/06/04/08/1059060408.db2.gz ZFNPMPXGVBQQSF-CYBMUJFWSA-N 1 1 311.769 2.301 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001467529357 1059648342 /nfs/dbraw/zinc/64/83/42/1059648342.db2.gz NGDCQSDLHZYKRT-CYBMUJFWSA-N 1 1 306.366 2.461 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C(C)(C)C1 ZINC001472029489 1060372876 /nfs/dbraw/zinc/37/28/76/1060372876.db2.gz RUVJTUDIDMRHSH-NSHDSACASA-N 1 1 311.769 2.318 20 5 DEBDMO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001617209690 1078140674 /nfs/dbraw/zinc/14/06/74/1078140674.db2.gz ZHKCNPPKQVZQPQ-ZUZCIYMTSA-N 1 1 318.333 2.302 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC001621569630 1078177816 /nfs/dbraw/zinc/17/78/16/1078177816.db2.gz AQMJJGWXBBHEOD-UHTWSYAYSA-N 1 1 316.361 2.166 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001636658107 1078485472 /nfs/dbraw/zinc/48/54/72/1078485472.db2.gz XFAHQMMFFCSYAY-LLVKDONJSA-N 1 1 311.769 2.001 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC001637494488 1078522321 /nfs/dbraw/zinc/52/23/21/1078522321.db2.gz FUWGTKJHISEGDC-WDEREUQCSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC001637494488 1078522324 /nfs/dbraw/zinc/52/23/24/1078522324.db2.gz FUWGTKJHISEGDC-WDEREUQCSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC001637494487 1078522360 /nfs/dbraw/zinc/52/23/60/1078522360.db2.gz FUWGTKJHISEGDC-QWRGUYRKSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC001637494487 1078522362 /nfs/dbraw/zinc/52/23/62/1078522362.db2.gz FUWGTKJHISEGDC-QWRGUYRKSA-N 1 1 309.341 2.207 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC001637907569 1078538594 /nfs/dbraw/zinc/53/85/94/1078538594.db2.gz YTLZVKYRZLUOEE-LBPRGKRZSA-N 1 1 309.341 2.209 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC001638144962 1078551494 /nfs/dbraw/zinc/55/14/94/1078551494.db2.gz CKJGZJSBQUHTMG-CYBMUJFWSA-N 1 1 309.341 2.337 20 5 DEBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCCCCC1 ZINC001267241250 1078691184 /nfs/dbraw/zinc/69/11/84/1078691184.db2.gz PYRXVAQSYKBMFL-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCCCCC1 ZINC001267241250 1078691192 /nfs/dbraw/zinc/69/11/92/1078691192.db2.gz PYRXVAQSYKBMFL-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCCCCC1 ZINC001267241250 1078691197 /nfs/dbraw/zinc/69/11/97/1078691197.db2.gz PYRXVAQSYKBMFL-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO CC(C)C[C@H]([NH3+])C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC001573505248 1069023359 /nfs/dbraw/zinc/02/33/59/1069023359.db2.gz YWCBYFMERCVKBJ-LBPRGKRZSA-N 1 1 309.366 2.077 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)n1 ZINC001542296167 1072456108 /nfs/dbraw/zinc/45/61/08/1072456108.db2.gz OBZXGTMRPBYZOQ-AAEUAGOBSA-N 1 1 320.393 2.148 20 5 DEBDMO CC[N@@H+]1CC[C@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001543969349 1072512855 /nfs/dbraw/zinc/51/28/55/1072512855.db2.gz NXNCGHKJBNPXES-ZFWWWQNUSA-N 1 1 321.402 2.263 20 5 DEBDMO CC[N@H+]1CC[C@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001543969349 1072512866 /nfs/dbraw/zinc/51/28/66/1072512866.db2.gz NXNCGHKJBNPXES-ZFWWWQNUSA-N 1 1 321.402 2.263 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)C[C@@H]1C ZINC001544454139 1072535085 /nfs/dbraw/zinc/53/50/85/1072535085.db2.gz BQJBFNUBUSMBAS-STQMWFEESA-N 1 1 320.393 2.243 20 5 DEBDMO Cn1cc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)nn1 ZINC001648591190 1075002535 /nfs/dbraw/zinc/00/25/35/1075002535.db2.gz JJYJNXZPLUWGLM-LBPRGKRZSA-N 1 1 319.340 2.242 20 5 DEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](C3CCCC3)C2)c1 ZINC001648621210 1075003013 /nfs/dbraw/zinc/00/30/13/1075003013.db2.gz KTOLCEAUBSFGHN-GDBMZVCRSA-N 1 1 322.409 2.054 20 5 DEBDMO Cc1c([N+](=O)[O-])ccc(=O)n1Cc1[nH+]ccn1Cc1ccccc1 ZINC001652018741 1079846558 /nfs/dbraw/zinc/84/65/58/1079846558.db2.gz LOCSXLZGWCAWNU-UHFFFAOYSA-N 1 1 324.340 2.358 20 5 DEBDMO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3CC[N@@H+](C)[C@H]3C)c2c1 ZINC001652248912 1079860737 /nfs/dbraw/zinc/86/07/37/1079860737.db2.gz WKYMFEHEAJZJEL-GWCFXTLKSA-N 1 1 316.361 2.078 20 5 DEBDMO Cc1noc([C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC001655159180 1079988236 /nfs/dbraw/zinc/98/82/36/1079988236.db2.gz PBPOTMKBYLYLBW-KGLIPLIRSA-N 1 1 320.349 2.307 20 5 DEBDMO C[C@@H]1Cc2n[nH]cc2C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001655589506 1080007625 /nfs/dbraw/zinc/00/76/25/1080007625.db2.gz DZBKBIVWVKQSII-GFCCVEGCSA-N 1 1 316.361 2.391 20 5 DEBDMO COc1ccc(C[C@@H]2CC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC001657534654 1080177308 /nfs/dbraw/zinc/17/73/08/1080177308.db2.gz FWFZXCKZISNZLO-AWEZNQCLSA-N 1 1 316.361 2.117 20 5 DEBDMO COc1ccc(C[C@H]2CC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC001657534655 1080177622 /nfs/dbraw/zinc/17/76/22/1080177622.db2.gz FWFZXCKZISNZLO-CQSZACIVSA-N 1 1 316.361 2.117 20 5 DEBDMO CC(C)=CC(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001665248971 1081005333 /nfs/dbraw/zinc/00/53/33/1081005333.db2.gz IVYHTNYDSQGANP-UHFFFAOYSA-N 1 1 303.362 2.109 20 5 DEBDMO C[N@H+](CCNC(=O)CC1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001266265480 1081926570 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323.437 2.178 20 5 DEBDMO CC(C)=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001319877155 1140793260 /nfs/dbraw/zinc/79/32/60/1140793260.db2.gz YCVKNZRTOSFFEX-HZPDHXFCSA-N 1 1 323.437 2.178 20 5 DEBDMO C[C@@H]1CNCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246569380 1140969813 /nfs/dbraw/zinc/96/98/13/1140969813.db2.gz CLQLGTMUIBZPOV-CJNGLKHVSA-N 1 1 303.406 2.384 20 5 DEBDMO C[C@@H]1C[NH2+]CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246569380 1140969833 /nfs/dbraw/zinc/96/98/33/1140969833.db2.gz CLQLGTMUIBZPOV-CJNGLKHVSA-N 1 1 303.406 2.384 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN[C@@H](C(F)(F)F)C1 ZINC001246992463 1141223598 /nfs/dbraw/zinc/22/35/98/1141223598.db2.gz RFZSAONJZOIKKB-GXFFZTMASA-N 1 1 317.311 2.362 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN[C@@H](C(F)(F)F)C1 ZINC001246992463 1141223616 /nfs/dbraw/zinc/22/36/16/1141223616.db2.gz RFZSAONJZOIKKB-GXFFZTMASA-N 1 1 317.311 2.362 20 5 DEBDMO 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DEBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H](O)C3)o2)c1 ZINC000264258698 186330345 /nfs/dbraw/zinc/33/03/45/186330345.db2.gz LTQAUFDQQICVCK-AWEZNQCLSA-N 1 1 317.345 2.249 20 5 DEBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000376395294 282747493 /nfs/dbraw/zinc/74/74/93/282747493.db2.gz KOFKNCYTINGOKE-GFCCVEGCSA-N 1 1 315.377 2.370 20 5 DEBDMO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc[nH+]1 ZINC000172192975 198055565 /nfs/dbraw/zinc/05/55/65/198055565.db2.gz XBQPWMSXTUNPOD-UHFFFAOYSA-N 1 1 307.331 2.407 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000277164616 213338601 /nfs/dbraw/zinc/33/86/01/213338601.db2.gz RANFIXVJFYVYFQ-LBPRGKRZSA-N 1 1 321.377 2.206 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173220624 198197217 /nfs/dbraw/zinc/19/72/17/198197217.db2.gz GWHILCYXMWSRMK-UONOGXRCSA-N 1 1 319.405 2.374 20 5 DEBDMO CC[C@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000173725997 198244958 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DEBDMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000078641578 355272378 /nfs/dbraw/zinc/27/23/78/355272378.db2.gz OTQISOLLZSYOED-GFCCVEGCSA-N 1 1 303.362 2.117 20 5 DEBDMO C[C@H](O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000089928093 355547272 /nfs/dbraw/zinc/54/72/72/355547272.db2.gz NZNKUUPUQXTERH-STQMWFEESA-N 1 1 321.377 2.016 20 5 DEBDMO CCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000122651119 355801030 /nfs/dbraw/zinc/80/10/30/355801030.db2.gz SDCKHGIZQOOGMD-WFASDCNBSA-N 1 1 321.377 2.423 20 5 DEBDMO CCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000122651119 355801033 /nfs/dbraw/zinc/80/10/33/355801033.db2.gz SDCKHGIZQOOGMD-WFASDCNBSA-N 1 1 321.377 2.423 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000123176926 355803655 /nfs/dbraw/zinc/80/36/55/355803655.db2.gz OGVGRNRAJVCDFY-LLVKDONJSA-N 1 1 322.365 2.067 20 5 DEBDMO Cc1[nH+]ccn1CCCn1cc(Br)c([N+](=O)[O-])n1 ZINC000264102293 356345042 /nfs/dbraw/zinc/34/50/42/356345042.db2.gz CIWPONCLFSLZQM-UHFFFAOYSA-N 1 1 314.143 2.149 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CO)CC1 ZINC000293081756 356387802 /nfs/dbraw/zinc/38/78/02/356387802.db2.gz JRJDINGVFBBGSQ-OLZOCXBDSA-N 1 1 321.377 2.016 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCn4c[nH+]cc4C3)n2)o1 ZINC000351143243 356621395 /nfs/dbraw/zinc/62/13/95/356621395.db2.gz FTQNJZCIKZMGRY-MRVPVSSYSA-N 1 1 301.262 2.164 20 5 DEBDMO CC(C)[N@@H+]1CCO[C@@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000351233616 356637685 /nfs/dbraw/zinc/63/76/85/356637685.db2.gz WLMZUWRJJSFWFC-SECBINFHSA-N 1 1 324.362 2.488 20 5 DEBDMO CC(C)[N@H+]1CCO[C@@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000351233616 356637689 /nfs/dbraw/zinc/63/76/89/356637689.db2.gz WLMZUWRJJSFWFC-SECBINFHSA-N 1 1 324.362 2.488 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@@H](n3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000425500005 283209489 /nfs/dbraw/zinc/20/94/89/283209489.db2.gz KSWXOCQEOATTKH-CQSZACIVSA-N 1 1 301.350 2.332 20 5 DEBDMO CCOc1cc(C[N@@H+](C)CCn2cccn2)ccc1[N+](=O)[O-] ZINC000276913452 213171094 /nfs/dbraw/zinc/17/10/94/213171094.db2.gz NWRQLKATBOFKEE-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000579370111 356965597 /nfs/dbraw/zinc/96/55/97/356965597.db2.gz YDHXKRIWOMGIIG-LSDHHAIUSA-N 1 1 319.405 2.452 20 5 DEBDMO Cc1ccncc1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590659873 357574969 /nfs/dbraw/zinc/57/49/69/357574969.db2.gz LZAAQXVSJYOKBS-UHFFFAOYSA-N 1 1 315.329 2.359 20 5 DEBDMO CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C)C1 ZINC000592833316 357954410 /nfs/dbraw/zinc/95/44/10/357954410.db2.gz YLSGOTOARFORNS-HNNXBMFYSA-N 1 1 305.378 2.080 20 5 DEBDMO COC(=O)[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C1CC1 ZINC000593129573 358017483 /nfs/dbraw/zinc/01/74/83/358017483.db2.gz QRIXYRBKNVSINC-JKSUJKDBSA-N 1 1 318.373 2.268 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000593110304 358012904 /nfs/dbraw/zinc/01/29/04/358012904.db2.gz OXMITHZKBOKLMF-NEPJUHHUSA-N 1 1 323.368 2.218 20 5 DEBDMO C[N@@H+](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000593451035 358081172 /nfs/dbraw/zinc/08/11/72/358081172.db2.gz SWJRASGJFJIWFB-UHFFFAOYSA-N 1 1 323.368 2.267 20 5 DEBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])nc2)[C@@H](Cc2ccccc2)C1 ZINC000593502948 358092940 /nfs/dbraw/zinc/09/29/40/358092940.db2.gz GBLTVVIRBQVNLE-INIZCTEOSA-N 1 1 312.373 2.353 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000593514743 358094878 /nfs/dbraw/zinc/09/48/78/358094878.db2.gz BVCFIMMXSNHZRN-GXFFZTMASA-N 1 1 321.352 2.018 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000595019363 358379130 /nfs/dbraw/zinc/37/91/30/358379130.db2.gz MDBBQVKALDKOHG-FZMZJTMJSA-N 1 1 321.377 2.263 20 5 DEBDMO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041313 358382181 /nfs/dbraw/zinc/38/21/81/358382181.db2.gz PAJCDGXRCYYEBU-MNOVXSKESA-N 1 1 309.366 2.121 20 5 DEBDMO COCCOC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595322387 358421938 /nfs/dbraw/zinc/42/19/38/358421938.db2.gz XRGBGYKUTIYTLI-UHFFFAOYSA-N 1 1 312.341 2.361 20 5 DEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595811549 358554053 /nfs/dbraw/zinc/55/40/53/358554053.db2.gz UZEJNEQRHOMIKV-QJPTWQEYSA-N 1 1 319.361 2.272 20 5 DEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595811549 358554056 /nfs/dbraw/zinc/55/40/56/358554056.db2.gz UZEJNEQRHOMIKV-QJPTWQEYSA-N 1 1 319.361 2.272 20 5 DEBDMO CN(c1ccccc1)[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595825239 358557046 /nfs/dbraw/zinc/55/70/46/358557046.db2.gz DGBJMIRUECIQIR-HNNXBMFYSA-N 1 1 315.377 2.002 20 5 DEBDMO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595880802 358570885 /nfs/dbraw/zinc/57/08/85/358570885.db2.gz ZNFKPIKTLUCZLX-BBRMVZONSA-N 1 1 308.378 2.314 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595695343 358525377 /nfs/dbraw/zinc/52/53/77/358525377.db2.gz GWIBQFAVUAUTAK-BBRMVZONSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596063032 358601445 /nfs/dbraw/zinc/60/14/45/358601445.db2.gz WXOQBNSGYZTBQA-GFCCVEGCSA-N 1 1 320.393 2.370 20 5 DEBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596125793 358616653 /nfs/dbraw/zinc/61/66/53/358616653.db2.gz GNSZKMOTVDMQPH-CYBMUJFWSA-N 1 1 320.393 2.370 20 5 DEBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596160838 358625930 /nfs/dbraw/zinc/62/59/30/358625930.db2.gz IEINEZSHJLHMCQ-LBPRGKRZSA-N 1 1 320.393 2.084 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596306538 358664138 /nfs/dbraw/zinc/66/41/38/358664138.db2.gz FINNYVOFCOSOAG-LLVKDONJSA-N 1 1 320.393 2.226 20 5 DEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000597716656 358987329 /nfs/dbraw/zinc/98/73/29/358987329.db2.gz RHQCIQPVPLQKQO-INIZCTEOSA-N 1 1 321.352 2.292 20 5 DEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000597716968 358987501 /nfs/dbraw/zinc/98/75/01/358987501.db2.gz UQGBJJPNFLMLRR-KRWDZBQOSA-N 1 1 317.389 2.082 20 5 DEBDMO CC1(C)CC[C@H](CO)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000598646186 359274226 /nfs/dbraw/zinc/27/42/26/359274226.db2.gz CPZCIKWABMREPS-CQSZACIVSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1CO ZINC000598649510 359276117 /nfs/dbraw/zinc/27/61/17/359276117.db2.gz KAIAAHACKXQEDP-GHMZBOCLSA-N 1 1 305.334 2.186 20 5 DEBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1CO ZINC000598649510 359276120 /nfs/dbraw/zinc/27/61/20/359276120.db2.gz KAIAAHACKXQEDP-GHMZBOCLSA-N 1 1 305.334 2.186 20 5 DEBDMO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599622669 359545473 /nfs/dbraw/zinc/54/54/73/359545473.db2.gz MNFLTQGJXWZBJR-SECBINFHSA-N 1 1 313.304 2.313 20 5 DEBDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599622669 359545476 /nfs/dbraw/zinc/54/54/76/359545476.db2.gz MNFLTQGJXWZBJR-SECBINFHSA-N 1 1 313.304 2.313 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H](OCCO)C3)c2c1 ZINC000601116046 359927693 /nfs/dbraw/zinc/92/76/93/359927693.db2.gz GVISTSWBVYBFMR-ZDUSSCGKSA-N 1 1 317.345 2.121 20 5 DEBDMO COCCOCCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601100381 359920245 /nfs/dbraw/zinc/92/02/45/359920245.db2.gz BARMAHBTYOIGFN-UHFFFAOYSA-N 1 1 305.334 2.030 20 5 DEBDMO COCC1(O)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601135933 359936645 /nfs/dbraw/zinc/93/66/45/359936645.db2.gz SUBMXVZNSXUMIJ-UHFFFAOYSA-N 1 1 317.345 2.121 20 5 DEBDMO CO[C@@H]1COCC[C@@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601172001 359952582 /nfs/dbraw/zinc/95/25/82/359952582.db2.gz SSXQBSCIPKIRMY-BDJLRTHQSA-N 1 1 317.345 2.028 20 5 DEBDMO COC(=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])n1C ZINC000602002241 360232504 /nfs/dbraw/zinc/23/25/04/360232504.db2.gz DHXQRJDVKFBWIC-UHFFFAOYSA-N 1 1 303.318 2.010 20 5 DEBDMO C[N@@H+](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000602097455 360263555 /nfs/dbraw/zinc/26/35/55/360263555.db2.gz OKQDMUZFWKCVBX-UHFFFAOYSA-N 1 1 323.393 2.068 20 5 DEBDMO CC(C)c1[nH+]ccn1CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000602129405 360277368 /nfs/dbraw/zinc/27/73/68/360277368.db2.gz FKTPDRDNTNFNSK-UHFFFAOYSA-N 1 1 316.361 2.274 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000602756392 360538613 /nfs/dbraw/zinc/53/86/13/360538613.db2.gz NRUCHUABHRMBAP-UHFFFAOYSA-N 1 1 306.366 2.461 20 5 DEBDMO CCC[N@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602713647 360514067 /nfs/dbraw/zinc/51/40/67/360514067.db2.gz NXYHGOZBDWLWQL-NSHDSACASA-N 1 1 304.350 2.310 20 5 DEBDMO CCCN1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602713647 360514073 /nfs/dbraw/zinc/51/40/73/360514073.db2.gz NXYHGOZBDWLWQL-NSHDSACASA-N 1 1 304.350 2.310 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1c(F)cncc1F ZINC000602830006 360577982 /nfs/dbraw/zinc/57/79/82/360577982.db2.gz SZJOHQSHLCMLMH-QMMMGPOBSA-N 1 1 311.292 2.124 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000602793670 360557268 /nfs/dbraw/zinc/55/72/68/360557268.db2.gz CLSGEVURRXQRPB-CQSZACIVSA-N 1 1 301.350 2.332 20 5 DEBDMO COc1cccc2c1CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000602805713 360564615 /nfs/dbraw/zinc/56/46/15/360564615.db2.gz OSIWTYRGARMOKD-UHFFFAOYSA-N 1 1 316.361 2.167 20 5 DEBDMO COc1cccc2c1CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000602805713 360564617 /nfs/dbraw/zinc/56/46/17/360564617.db2.gz OSIWTYRGARMOKD-UHFFFAOYSA-N 1 1 316.361 2.167 20 5 DEBDMO CCc1nc([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])cs1 ZINC000602813450 360568882 /nfs/dbraw/zinc/56/88/82/360568882.db2.gz YACGYDGSHWBPEJ-VIFPVBQESA-N 1 1 309.395 2.469 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCN(C)c1ccccc1 ZINC000602775044 360547164 /nfs/dbraw/zinc/54/71/64/360547164.db2.gz DVKBGGJULUMECE-UHFFFAOYSA-N 1 1 317.393 2.168 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000602875256 360603525 /nfs/dbraw/zinc/60/35/25/360603525.db2.gz YLCJDWXTXZEMIT-AWEZNQCLSA-N 1 1 308.382 2.133 20 5 DEBDMO C[C@@H](c1ccncc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000604526635 360913491 /nfs/dbraw/zinc/91/34/91/360913491.db2.gz KFJVCSHETZPRTG-ZDUSSCGKSA-N 1 1 313.361 2.268 20 5 DEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281411351 216281499 /nfs/dbraw/zinc/28/14/99/216281499.db2.gz ODRLBTBWAPGYQB-CYBMUJFWSA-N 1 1 321.377 2.424 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](CCO)C2)c2c(c1)COCO2 ZINC000609204333 361289772 /nfs/dbraw/zinc/28/97/72/361289772.db2.gz ICHJIZBQDMCNTK-GFCCVEGCSA-N 1 1 322.361 2.056 20 5 DEBDMO CC(C)(C)C[N@@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000609317381 361300070 /nfs/dbraw/zinc/30/00/70/361300070.db2.gz YKMBPIOXDAHTBX-UHFFFAOYSA-N 1 1 324.377 2.302 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000609675090 361333977 /nfs/dbraw/zinc/33/39/77/361333977.db2.gz UARPIUTZWNZGTI-OAHLLOKOSA-N 1 1 318.421 2.119 20 5 DEBDMO CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000611256579 361563094 /nfs/dbraw/zinc/56/30/94/361563094.db2.gz HJERMGAUPAFDJQ-GFCCVEGCSA-N 1 1 324.377 2.470 20 5 DEBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272150 361568885 /nfs/dbraw/zinc/56/88/85/361568885.db2.gz AAKGLJWEVHXFME-YPMHNXCESA-N 1 1 322.361 2.101 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707658 361663722 /nfs/dbraw/zinc/66/37/22/361663722.db2.gz KGHXADCRSODVGJ-ABAIWWIYSA-N 1 1 315.377 2.314 20 5 DEBDMO Cc1cc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000275400548 212310828 /nfs/dbraw/zinc/31/08/28/212310828.db2.gz BJQXKCUYIBGVEG-CYBMUJFWSA-N 1 1 307.394 2.185 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H]3COCCO3)C2)cc1 ZINC000451549256 243095218 /nfs/dbraw/zinc/09/52/18/243095218.db2.gz PKLRSKBARHHRTA-HOCLYGCPSA-N 1 1 306.362 2.190 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000451716991 243347574 /nfs/dbraw/zinc/34/75/74/243347574.db2.gz VGMVNMKOOSZLAN-IIAWOOMASA-N 1 1 320.389 2.457 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1 ZINC000451716993 243353672 /nfs/dbraw/zinc/35/36/72/243353672.db2.gz VGMVNMKOOSZLAN-YCPHGPKFSA-N 1 1 320.389 2.457 20 5 DEBDMO CCOCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000093316525 193230734 /nfs/dbraw/zinc/23/07/34/193230734.db2.gz JEOWQTJZWOALQW-UHFFFAOYSA-N 1 1 309.366 2.200 20 5 DEBDMO Cc1noc(CCC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282450150 217004468 /nfs/dbraw/zinc/00/44/68/217004468.db2.gz LRLBWOUUOFAGMA-UHFFFAOYSA-N 1 1 304.350 2.393 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001472449862 1151875147 /nfs/dbraw/zinc/87/51/47/1151875147.db2.gz CVXSDAUNEOKTLC-PMPSAXMXSA-N 1 1 317.389 2.251 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264754239 204128984 /nfs/dbraw/zinc/12/89/84/204128984.db2.gz LTBHOHADTAPJNR-UHFFFAOYSA-N 1 1 316.361 2.244 20 5 DEBDMO CC(C)CNC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282517990 217056979 /nfs/dbraw/zinc/05/69/79/217056979.db2.gz SSOXDDSXEFNMGD-CYBMUJFWSA-N 1 1 307.394 2.230 20 5 DEBDMO C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000266149621 205138444 /nfs/dbraw/zinc/13/84/44/205138444.db2.gz JXVVASGZIWELAG-UHFFFAOYSA-N 1 1 301.293 2.338 20 5 DEBDMO C[C@H]1[C@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@H+]1Cc1ccccc1 ZINC000288363184 220109437 /nfs/dbraw/zinc/10/94/37/220109437.db2.gz XUXHKEGRNQEKQZ-GXTWGEPZSA-N 1 1 315.377 2.403 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)cc1F ZINC000282985570 217371799 /nfs/dbraw/zinc/37/17/99/217371799.db2.gz DQKYTBNBXDYKEG-ZDUSSCGKSA-N 1 1 319.340 2.238 20 5 DEBDMO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 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C[C@H](CO)[N@H+]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000346661412 146119620 /nfs/dbraw/zinc/11/96/20/146119620.db2.gz VZPKFWDCENKPEG-KGLIPLIRSA-N 1 1 307.394 2.044 20 5 DEBDMO CN(C)c1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000346935086 146167499 /nfs/dbraw/zinc/16/74/99/146167499.db2.gz QYKRFUBRAFQUHH-UHFFFAOYSA-N 1 1 316.317 2.073 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1COC[C@@H]1O ZINC000348651594 146295460 /nfs/dbraw/zinc/29/54/60/146295460.db2.gz URIHZZZJFKEPQD-GJZGRUSLSA-N 1 1 318.329 2.046 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000356975196 147014458 /nfs/dbraw/zinc/01/44/58/147014458.db2.gz JWXSCKKMQVWXOX-UONOGXRCSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@@H]1[C@H](C)N(C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000356975196 147014459 /nfs/dbraw/zinc/01/44/59/147014459.db2.gz JWXSCKKMQVWXOX-UONOGXRCSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000356975196 147014461 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COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275772570 403122070 /nfs/dbraw/zinc/12/20/70/403122070.db2.gz YXPUHVZCIBSQCM-TZMCWYRMSA-N 1 1 307.394 2.375 20 5 DEBDMO COc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275772570 403122071 /nfs/dbraw/zinc/12/20/71/403122071.db2.gz YXPUHVZCIBSQCM-TZMCWYRMSA-N 1 1 307.394 2.375 20 5 DEBDMO COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275772570 403122073 /nfs/dbraw/zinc/12/20/73/403122073.db2.gz YXPUHVZCIBSQCM-TZMCWYRMSA-N 1 1 307.394 2.375 20 5 DEBDMO O=C1CCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276300672 403162168 /nfs/dbraw/zinc/16/21/68/403162168.db2.gz JWHRUCJLIIWLER-UHFFFAOYSA-N 1 1 321.352 2.321 20 5 DEBDMO CC(C)COC[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282388084 403149013 /nfs/dbraw/zinc/14/90/13/403149013.db2.gz GOJFDMOZVMXSDZ-MRXNPFEDSA-N 1 1 310.394 2.103 20 5 DEBDMO C[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000269656228 403154201 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20 5 DEBDMO CSc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000330626084 403292255 /nfs/dbraw/zinc/29/22/55/403292255.db2.gz IMNOEVXCZWJPCO-GHMZBOCLSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000330626084 403292262 /nfs/dbraw/zinc/29/22/62/403292262.db2.gz IMNOEVXCZWJPCO-GHMZBOCLSA-N 1 1 323.418 2.481 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292113555 403295503 /nfs/dbraw/zinc/29/55/03/403295503.db2.gz FZZYEFDPUQIFSM-QGZVFWFLSA-N 1 1 317.389 2.082 20 5 DEBDMO CCCCNC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285384777 403284578 /nfs/dbraw/zinc/28/45/78/403284578.db2.gz RXXDXZIJEPZTHW-ZDUSSCGKSA-N 1 1 307.394 2.374 20 5 DEBDMO CCCCNC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285384777 403284581 /nfs/dbraw/zinc/28/45/81/403284581.db2.gz RXXDXZIJEPZTHW-ZDUSSCGKSA-N 1 1 307.394 2.374 20 5 DEBDMO Cc1ccoc1C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000292077985 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OCIQXSMUUMVGEZ-KGLIPLIRSA-N 1 1 321.402 2.137 20 5 DEBDMO CS[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331587987 403424050 /nfs/dbraw/zinc/42/40/50/403424050.db2.gz OCIQXSMUUMVGEZ-KGLIPLIRSA-N 1 1 321.402 2.137 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000332051920 403470447 /nfs/dbraw/zinc/47/04/47/403470447.db2.gz YARYOSAJRLYRBU-GHMZBOCLSA-N 1 1 316.361 2.241 20 5 DEBDMO COC(=O)[C@@H]1CSCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000332234006 403523910 /nfs/dbraw/zinc/52/39/10/403523910.db2.gz QDNMVGKXMSLTRK-YPMHNXCESA-N 1 1 324.402 2.494 20 5 DEBDMO Cc1ccc(NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000332240926 403527155 /nfs/dbraw/zinc/52/71/55/403527155.db2.gz AAIPNIOZVWTGOH-CQSZACIVSA-N 1 1 310.329 2.069 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286444760 403528383 /nfs/dbraw/zinc/52/83/83/403528383.db2.gz JMTABSUQYQIWAY-HUUCEWRRSA-N 1 1 321.377 2.077 20 5 DEBDMO C[C@H]1C[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000332248040 403528458 /nfs/dbraw/zinc/52/84/58/403528458.db2.gz SXRBASVJJQEHNE-NWDGAFQWSA-N 1 1 317.393 2.386 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000299134018 403531262 /nfs/dbraw/zinc/53/12/62/403531262.db2.gz ZROYOKLJMNRJDE-LBPRGKRZSA-N 1 1 308.382 2.165 20 5 DEBDMO Cc1cc(NC(=O)N2CC[NH2+]C[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000332312096 403547667 /nfs/dbraw/zinc/54/76/67/403547667.db2.gz KPVWABKVXVIJPR-AWEZNQCLSA-N 1 1 310.329 2.069 20 5 DEBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000286342737 403504543 /nfs/dbraw/zinc/50/45/43/403504543.db2.gz GPOBUCDKAXYMFV-AWEZNQCLSA-N 1 1 305.378 2.476 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343428570 403586187 /nfs/dbraw/zinc/58/61/87/403586187.db2.gz HCOWUWVXVPBCRE-VXGBXAGGSA-N 1 1 323.418 2.286 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345978511 403557545 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DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](CC(N)=O)CC(C)C ZINC000347352390 403676096 /nfs/dbraw/zinc/67/60/96/403676096.db2.gz DBDZUZQONOQLDI-QPEQYQDCSA-N 1 1 305.378 2.441 20 5 DEBDMO C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[N@H+]1CCC[C@@H](C)C1 ZINC000301910577 403699930 /nfs/dbraw/zinc/69/99/30/403699930.db2.gz GESZDCNUJXYRAL-NEPJUHHUSA-N 1 1 318.381 2.170 20 5 DEBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000301586131 403650615 /nfs/dbraw/zinc/65/06/15/403650615.db2.gz WBRVIYBUFJITAU-UHFFFAOYSA-N 1 1 322.365 2.304 20 5 DEBDMO CCOC1CC([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000347460343 403717893 /nfs/dbraw/zinc/71/78/93/403717893.db2.gz WQWBAQGXSVKEOP-UHFFFAOYSA-N 1 1 321.377 2.341 20 5 DEBDMO CCOC1CC([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000347460343 403717896 /nfs/dbraw/zinc/71/78/96/403717896.db2.gz WQWBAQGXSVKEOP-UHFFFAOYSA-N 1 1 321.377 2.341 20 5 DEBDMO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000343797114 403738027 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309.391 2.359 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCSC[C@H]1CCO ZINC000355094592 404213997 /nfs/dbraw/zinc/21/39/97/404213997.db2.gz ZTMQFGVCCNSDJC-LYKUJDHUSA-N 1 1 308.403 2.408 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCSC[C@H]1CCO ZINC000355094592 404214009 /nfs/dbraw/zinc/21/40/09/404214009.db2.gz ZTMQFGVCCNSDJC-LYKUJDHUSA-N 1 1 308.403 2.408 20 5 DEBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000363583455 404194697 /nfs/dbraw/zinc/19/46/97/404194697.db2.gz RWCLTULXERFWFU-AWEZNQCLSA-N 1 1 317.389 2.270 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412225257 404196643 /nfs/dbraw/zinc/19/66/43/404196643.db2.gz KDELDJBSJRRGMS-SHUKQUCYSA-N 1 1 317.389 2.249 20 5 DEBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000412359808 404265279 /nfs/dbraw/zinc/26/52/79/404265279.db2.gz CVHNWMPRHUDKNX-SHUKQUCYSA-N 1 1 317.389 2.249 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000344644551 404281666 /nfs/dbraw/zinc/28/16/66/404281666.db2.gz NMLNZCLTELRFAQ-OAHLLOKOSA-N 1 1 319.405 2.374 20 5 DEBDMO COC[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000352221792 404227240 /nfs/dbraw/zinc/22/72/40/404227240.db2.gz KRNVRXJTYWGBTN-LLVKDONJSA-N 1 1 318.333 2.113 20 5 DEBDMO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000344889169 404426585 /nfs/dbraw/zinc/42/65/85/404426585.db2.gz LGFDWYICPFDAPW-ZDUSSCGKSA-N 1 1 320.393 2.222 20 5 DEBDMO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000344889169 404426590 /nfs/dbraw/zinc/42/65/90/404426590.db2.gz LGFDWYICPFDAPW-ZDUSSCGKSA-N 1 1 320.393 2.222 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000373269823 404536605 /nfs/dbraw/zinc/53/66/05/404536605.db2.gz WMNQYTCPVNIEBX-UONOGXRCSA-N 1 1 306.362 2.209 20 5 DEBDMO CN1CCN(CCOc2ccccc2[N+](=O)[O-])c2ccc[nH+]c21 ZINC000342538505 404640085 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ZINC000451667242 405017891 /nfs/dbraw/zinc/01/78/91/405017891.db2.gz UEESIFBYRWNPCH-QLFBSQMISA-N 1 1 321.421 2.351 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451667242 405017894 /nfs/dbraw/zinc/01/78/94/405017894.db2.gz UEESIFBYRWNPCH-QLFBSQMISA-N 1 1 321.421 2.351 20 5 DEBDMO COC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000452035806 405134753 /nfs/dbraw/zinc/13/47/53/405134753.db2.gz HLMMZJGAKJYQRZ-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO COC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000452035806 405134756 /nfs/dbraw/zinc/13/47/56/405134756.db2.gz HLMMZJGAKJYQRZ-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361569994 405136027 /nfs/dbraw/zinc/13/60/27/405136027.db2.gz ZTVXYDUEXCYGPP-STQMWFEESA-N 1 1 304.350 2.343 20 5 DEBDMO CC(C)[C@@]1(CO)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000368074603 405227059 /nfs/dbraw/zinc/22/70/59/405227059.db2.gz OMAFVZJYBBVRKB-INIZCTEOSA-N 1 1 308.378 2.314 20 5 DEBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000419338114 405241480 /nfs/dbraw/zinc/24/14/80/405241480.db2.gz BWHSZWUSUXUCJY-FRRDWIJNSA-N 1 1 317.389 2.460 20 5 DEBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000419375141 405245472 /nfs/dbraw/zinc/24/54/72/405245472.db2.gz QZNFZQKZIZFBMU-FRRDWIJNSA-N 1 1 317.389 2.460 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000440648624 405321073 /nfs/dbraw/zinc/32/10/73/405321073.db2.gz DWAPKMVJYVBBNL-UHFFFAOYSA-N 1 1 306.410 2.341 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426240342 405347103 /nfs/dbraw/zinc/34/71/03/405347103.db2.gz QWZFMKOBMRVCSK-HUUCEWRRSA-N 1 1 321.377 2.077 20 5 DEBDMO CC[C@@H]1CCCC[N@H+]1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420607377 405361145 /nfs/dbraw/zinc/36/11/45/405361145.db2.gz YZSBKTVFHILRCC-GFCCVEGCSA-N 1 1 320.393 2.370 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000446025148 405366119 /nfs/dbraw/zinc/36/61/19/405366119.db2.gz AVNDZHUAKWLUAJ-CYBMUJFWSA-N 1 1 305.378 2.365 20 5 DEBDMO Cc1cccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000556963264 405564931 /nfs/dbraw/zinc/56/49/31/405564931.db2.gz NHMYBPQUVGYUFZ-QWHCGFSZSA-N 1 1 303.362 2.212 20 5 DEBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C(CF)CF ZINC000449378883 405531209 /nfs/dbraw/zinc/53/12/09/405531209.db2.gz GHYABTOOVMYQEQ-SECBINFHSA-N 1 1 301.293 2.209 20 5 DEBDMO CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000449492727 405582609 /nfs/dbraw/zinc/58/26/09/405582609.db2.gz CNVYARZFYHJGIK-XHDPSFHLSA-N 1 1 322.361 2.318 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000421781291 405645276 /nfs/dbraw/zinc/64/52/76/405645276.db2.gz AGJDPNFMZFRTHQ-DOMZBBRYSA-N 1 1 317.389 2.424 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000558461003 405661913 /nfs/dbraw/zinc/66/19/13/405661913.db2.gz OKDPGBYNUFSECZ-HNNXBMFYSA-N 1 1 320.393 2.268 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCC2(C)C)c1 ZINC000457075785 405681494 /nfs/dbraw/zinc/68/14/94/405681494.db2.gz NCSWFVMXSSZISO-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO Cc1c(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423072031 405699715 /nfs/dbraw/zinc/69/97/15/405699715.db2.gz IQOYPSLKQSFHNY-OWCLPIDISA-N 1 1 319.405 2.150 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457141475 405720184 /nfs/dbraw/zinc/72/01/84/405720184.db2.gz ZGQZOGQEDYTIFP-ZDUSSCGKSA-N 1 1 321.377 2.158 20 5 DEBDMO Cc1nc(N2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000450209567 405779945 /nfs/dbraw/zinc/77/99/45/405779945.db2.gz WXVHYFXGNPFIDA-UHFFFAOYSA-N 1 1 313.361 2.015 20 5 DEBDMO COC(=O)Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450355063 405853016 /nfs/dbraw/zinc/85/30/16/405853016.db2.gz PLYXOTSZHXBSJN-WCQYABFASA-N 1 1 321.377 2.205 20 5 DEBDMO COC(C)(C)C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000533022600 406116336 /nfs/dbraw/zinc/11/63/36/406116336.db2.gz YTEATDSVZQVXSD-UHFFFAOYSA-N 1 1 309.366 2.199 20 5 DEBDMO COC(C)(C)C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000533022600 406116341 /nfs/dbraw/zinc/11/63/41/406116341.db2.gz YTEATDSVZQVXSD-UHFFFAOYSA-N 1 1 309.366 2.199 20 5 DEBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000519627146 406224320 /nfs/dbraw/zinc/22/43/20/406224320.db2.gz PZLYTUAFNZXDJM-NSHDSACASA-N 1 1 306.366 2.305 20 5 DEBDMO C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000519853828 406263216 /nfs/dbraw/zinc/26/32/16/406263216.db2.gz LWCIQPXFVILDFW-AAEUAGOBSA-N 1 1 303.362 2.051 20 5 DEBDMO Cc1c(CC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000489310718 406390542 /nfs/dbraw/zinc/39/05/42/406390542.db2.gz CJFLOAFIWBUKJG-MRXNPFEDSA-N 1 1 319.405 2.244 20 5 DEBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000489490029 406411767 /nfs/dbraw/zinc/41/17/67/406411767.db2.gz APXNHHNPENKARK-KBPBESRZSA-N 1 1 324.377 2.099 20 5 DEBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC000489490032 406412582 /nfs/dbraw/zinc/41/25/82/406412582.db2.gz APXNHHNPENKARK-ZIAGYGMSSA-N 1 1 324.377 2.099 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCCC[C@H]3O)C2)nc1 ZINC000571687558 406552497 /nfs/dbraw/zinc/55/24/97/406552497.db2.gz IYORSSPHCPULTP-UMVBOHGHSA-N 1 1 320.393 2.027 20 5 DEBDMO Cc1c(CC(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000552143268 406688672 /nfs/dbraw/zinc/68/86/72/406688672.db2.gz LJVDHFFRFUECAD-LSDHHAIUSA-N 1 1 317.389 2.141 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491886494 406764008 /nfs/dbraw/zinc/76/40/08/406764008.db2.gz OQLUZRGRISWGIO-MEJMFZKBSA-N 1 1 303.362 2.161 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491925865 406780185 /nfs/dbraw/zinc/78/01/85/406780185.db2.gz OZSMOORVSMIINK-FWWRYZNZSA-N 1 1 303.362 2.066 20 5 DEBDMO C[C@H]1COCC[N@H+]1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000555877270 406857247 /nfs/dbraw/zinc/85/72/47/406857247.db2.gz CAXQEAKGDXDCEL-AWEZNQCLSA-N 1 1 319.405 2.280 20 5 DEBDMO C[C@H]1COCCN1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000555877270 406857249 /nfs/dbraw/zinc/85/72/49/406857249.db2.gz CAXQEAKGDXDCEL-AWEZNQCLSA-N 1 1 319.405 2.280 20 5 DEBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569863740 292447631 /nfs/dbraw/zinc/44/76/31/292447631.db2.gz PYHYEEJFWKOJEH-UHFFFAOYSA-N 1 1 321.768 2.294 20 5 DEBDMO C[N@@H+](CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000134287982 196377043 /nfs/dbraw/zinc/37/70/43/196377043.db2.gz MABZDCDJOCBQRT-UHFFFAOYSA-N 1 1 309.341 2.338 20 5 DEBDMO CC(C)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000134447617 196392247 /nfs/dbraw/zinc/39/22/47/196392247.db2.gz YQONCIVHEKFGBE-CQSZACIVSA-N 1 1 312.414 2.156 20 5 DEBDMO C[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413123030 228279434 /nfs/dbraw/zinc/27/94/34/228279434.db2.gz LPNPVVZRFGSPQL-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413123030 228279437 /nfs/dbraw/zinc/27/94/37/228279437.db2.gz LPNPVVZRFGSPQL-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCCOCC2)c2cccnc21 ZINC000413247219 228296162 /nfs/dbraw/zinc/29/61/62/228296162.db2.gz MATWLPCKFGGBQH-UHFFFAOYSA-N 1 1 316.361 2.277 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357242950 424815175 /nfs/dbraw/zinc/81/51/75/424815175.db2.gz WVMCUBHLJWZESD-NSHDSACASA-N 1 1 319.365 2.787 20 5 DEBDMO Cc1nc(NCC[N@@H+]2CC=C(C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000413286646 424942904 /nfs/dbraw/zinc/94/29/04/424942904.db2.gz ZUDUBNZBWFPCGK-UHFFFAOYSA-N 1 1 319.409 2.783 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CCC(c3c[nH+]cn3C)CC2)n1 ZINC001348604039 1151174978 /nfs/dbraw/zinc/17/49/78/1151174978.db2.gz JWJPODJLAVVPDS-UHFFFAOYSA-N 1 1 301.350 2.416 20 5 DEBDMO CC1(C)CCC[N@H+]1CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000590738501 424998692 /nfs/dbraw/zinc/99/86/92/424998692.db2.gz WPWFCUSHWKOERP-UHFFFAOYSA-N 1 1 315.377 2.824 20 5 DEBDMO Cc1nc(NC[C@H]2CC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596559176 425027721 /nfs/dbraw/zinc/02/77/21/425027721.db2.gz XRQFJPAAPAZCHQ-OAHLLOKOSA-N 1 1 312.373 2.985 20 5 DEBDMO O=[N+]([O-])c1ccc(CNc2cc[nH+]c(N3CCCCC3)n2)cc1 ZINC000352385615 425044885 /nfs/dbraw/zinc/04/48/85/425044885.db2.gz KHXXFZVRQOXHBT-UHFFFAOYSA-N 1 1 313.361 2.987 20 5 DEBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000443345547 269136492 /nfs/dbraw/zinc/13/64/92/269136492.db2.gz SENWJPGSMKIXQW-DVOMOZLQSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000517065159 269376037 /nfs/dbraw/zinc/37/60/37/269376037.db2.gz PLDNFFJMTLHHBS-HEHGZKQESA-N 1 1 317.389 2.251 20 5 DEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000295232163 278125953 /nfs/dbraw/zinc/12/59/53/278125953.db2.gz OAYMMUQNGWJQLQ-CYBMUJFWSA-N 1 1 315.732 2.022 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000247485931 288078934 /nfs/dbraw/zinc/07/89/34/288078934.db2.gz TXMSERFNHSNLAM-ZWNOBZJWSA-N 1 1 309.341 2.146 20 5 DEBDMO C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+](C)C1CC1 ZINC000263961607 279344794 /nfs/dbraw/zinc/34/47/94/279344794.db2.gz XNOKLQBNCJNWSU-SNVBAGLBSA-N 1 1 316.361 2.289 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000574676346 326177108 /nfs/dbraw/zinc/17/71/08/326177108.db2.gz HNVCENDXHKIUQF-LBPRGKRZSA-N 1 1 321.425 2.430 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000574676341 326177205 /nfs/dbraw/zinc/17/72/05/326177205.db2.gz HNVCENDXHKIUQF-GFCCVEGCSA-N 1 1 321.425 2.430 20 5 DEBDMO COCC[N@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575934293 326257604 /nfs/dbraw/zinc/25/76/04/326257604.db2.gz INEBXEHBMUBLLP-OAHLLOKOSA-N 1 1 307.394 2.140 20 5 DEBDMO COCCN(C)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575934293 326257606 /nfs/dbraw/zinc/25/76/06/326257606.db2.gz INEBXEHBMUBLLP-OAHLLOKOSA-N 1 1 307.394 2.140 20 5 DEBDMO CC(C)Oc1nc(N2CC[N@@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000577191101 326349390 /nfs/dbraw/zinc/34/93/90/326349390.db2.gz AFCPSUMQIJNSAN-VXGBXAGGSA-N 1 1 308.382 2.306 20 5 DEBDMO CC1(C)CC[N@@H+](CC(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000583035679 337232180 /nfs/dbraw/zinc/23/21/80/337232180.db2.gz YKOQSTNJCKVPTP-UHFFFAOYSA-N 1 1 303.362 2.216 20 5 DEBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297285303 500753375 /nfs/dbraw/zinc/75/33/75/500753375.db2.gz XONFJEYVZNKYJI-GFCCVEGCSA-N 1 1 316.365 2.294 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001330087788 1149048322 /nfs/dbraw/zinc/04/83/22/1149048322.db2.gz KFIOFTNBMILIDI-AWEZNQCLSA-N 1 1 304.394 2.254 20 5 DEBDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411257517 533793344 /nfs/dbraw/zinc/79/33/44/533793344.db2.gz UKQNSNZVYHEPPS-DOMZBBRYSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000331304812 533825441 /nfs/dbraw/zinc/82/54/41/533825441.db2.gz YLVCSYJLWWVPTP-GYSYKLTISA-N 1 1 321.377 2.459 20 5 DEBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000331304813 533859966 /nfs/dbraw/zinc/85/99/66/533859966.db2.gz YLVCSYJLWWVPTP-JTNHKYCSSA-N 1 1 321.377 2.459 20 5 DEBDMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130009807 519771796 /nfs/dbraw/zinc/77/17/96/519771796.db2.gz LSGYPSBQVRUWBF-INIZCTEOSA-N 1 1 308.378 2.345 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000339270752 524098609 /nfs/dbraw/zinc/09/86/09/524098609.db2.gz QOCQUFDTAWYPLM-CYBMUJFWSA-N 1 1 305.378 2.476 20 5 DEBDMO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1O ZINC000249595626 525025731 /nfs/dbraw/zinc/02/57/31/525025731.db2.gz WSTUYKOFLGOIME-IAQYHMDHSA-N 1 1 317.345 2.453 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1O ZINC000249595626 525025737 /nfs/dbraw/zinc/02/57/37/525025737.db2.gz WSTUYKOFLGOIME-IAQYHMDHSA-N 1 1 317.345 2.453 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000339255840 526245194 /nfs/dbraw/zinc/24/51/94/526245194.db2.gz IUGGNOYJUYWFSL-ZDUSSCGKSA-N 1 1 305.378 2.476 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000339270754 526245394 /nfs/dbraw/zinc/24/53/94/526245394.db2.gz QOCQUFDTAWYPLM-ZDUSSCGKSA-N 1 1 305.378 2.476 20 5 DEBDMO CCOCC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000444661488 528859315 /nfs/dbraw/zinc/85/93/15/528859315.db2.gz LHERICRHBIIELI-OAHLLOKOSA-N 1 1 308.378 2.347 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192498952 529343413 /nfs/dbraw/zinc/34/34/13/529343413.db2.gz XUXPYYMGRXXDBG-LLVKDONJSA-N 1 1 309.366 2.064 20 5 DEBDMO CO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000374681812 536709994 /nfs/dbraw/zinc/70/99/94/536709994.db2.gz XCUFNJRKQCTZCS-WFASDCNBSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H](NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000892112739 624785395 /nfs/dbraw/zinc/78/53/95/624785395.db2.gz USTIYGAXRRVTDP-NJZAAPMLSA-N 1 1 318.377 2.001 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000892123339 624789533 /nfs/dbraw/zinc/78/95/33/624789533.db2.gz OGDJMSQXCYAUSZ-UHFFFAOYSA-N 1 1 308.382 2.309 20 5 DEBDMO C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000892239033 624862690 /nfs/dbraw/zinc/86/26/90/624862690.db2.gz GMIWPXNFSMTGPB-QWHCGFSZSA-N 1 1 320.393 2.092 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000893194949 625218774 /nfs/dbraw/zinc/21/87/74/625218774.db2.gz OHXQNIZCQXZWBG-JSGCOSHPSA-N 1 1 315.377 2.261 20 5 DEBDMO Cc1cccc(C(=O)OCCC[N@@H+]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893390881 633236008 /nfs/dbraw/zinc/23/60/08/633236008.db2.gz JSIKPUCXISQBCM-ZDUSSCGKSA-N 1 1 322.361 2.171 20 5 DEBDMO Cc1cccc(C(=O)OCCC[N@H+]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893390881 633236015 /nfs/dbraw/zinc/23/60/15/633236015.db2.gz JSIKPUCXISQBCM-ZDUSSCGKSA-N 1 1 322.361 2.171 20 5 DEBDMO Cc1c(C(=O)OCCC[N@H+]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000893392194 633243551 /nfs/dbraw/zinc/24/35/51/633243551.db2.gz CQOFAJSTIKPISR-GFCCVEGCSA-N 1 1 322.361 2.171 20 5 DEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000981137355 635322335 /nfs/dbraw/zinc/32/23/35/635322335.db2.gz QTZBFOADDCIVDI-HZPDHXFCSA-N 1 1 323.437 2.156 20 5 DEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCCC2CCCC2)CC1 ZINC000981137355 635322342 /nfs/dbraw/zinc/32/23/42/635322342.db2.gz QTZBFOADDCIVDI-HZPDHXFCSA-N 1 1 323.437 2.156 20 5 DEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000981137355 635322343 /nfs/dbraw/zinc/32/23/43/635322343.db2.gz QTZBFOADDCIVDI-HZPDHXFCSA-N 1 1 323.437 2.156 20 5 DEBDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893909149 636062954 /nfs/dbraw/zinc/06/29/54/636062954.db2.gz XPDZKPVCYYEBPD-OAHLLOKOSA-N 1 1 310.350 2.046 20 5 DEBDMO Cc1cc(CNc2c([N+](=O)[O-])cnn2C)cc(N2CCCC2)[nH+]1 ZINC000893910739 636063376 /nfs/dbraw/zinc/06/33/76/636063376.db2.gz IUPZXDDXNLAQHK-UHFFFAOYSA-N 1 1 316.365 2.244 20 5 DEBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CC2=CCCCC2)CC1 ZINC001005374649 636726899 /nfs/dbraw/zinc/72/68/99/636726899.db2.gz GWIBHLPBESJULR-HZPDHXFCSA-N 1 1 321.421 2.075 20 5 DEBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000895246769 637848452 /nfs/dbraw/zinc/84/84/52/637848452.db2.gz CBQVLFRRIPEGGZ-IINYFYTJSA-N 1 1 312.801 2.294 20 5 DEBDMO CC(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000895331108 637939049 /nfs/dbraw/zinc/93/90/49/637939049.db2.gz NOUIQMPSPOPARC-XJKSGUPXSA-N 1 1 308.378 2.036 20 5 DEBDMO COc1c(O)ccc(CNC[C@@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000895587202 638098266 /nfs/dbraw/zinc/09/82/66/638098266.db2.gz KZUCXZMOFGWPGR-LBPRGKRZSA-N 1 1 323.393 2.131 20 5 DEBDMO CCn1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000895751765 638180248 /nfs/dbraw/zinc/18/02/48/638180248.db2.gz BMEFMVWUVCHVDI-MRXNPFEDSA-N 1 1 318.377 2.117 20 5 DEBDMO CCN[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841065542 650420881 /nfs/dbraw/zinc/42/08/81/650420881.db2.gz ZUSSTTHKPSXDEL-CYBMUJFWSA-N 1 1 306.410 2.151 20 5 DEBDMO CC[NH2+][C@H](C)CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841065542 650420884 /nfs/dbraw/zinc/42/08/84/650420884.db2.gz ZUSSTTHKPSXDEL-CYBMUJFWSA-N 1 1 306.410 2.151 20 5 DEBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000896912166 639067243 /nfs/dbraw/zinc/06/72/43/639067243.db2.gz QJJNCVOUAMBQLO-WBMJQRKESA-N 1 1 303.362 2.185 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc[nH]3)CC2)c(F)c1 ZINC000751500113 639087765 /nfs/dbraw/zinc/08/77/65/639087765.db2.gz KHLMBNJIIJIBCK-UHFFFAOYSA-N 1 1 305.313 2.232 20 5 DEBDMO Cc1ccccc1[C@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754217571 639402983 /nfs/dbraw/zinc/40/29/83/639402983.db2.gz XJVDQJHKDHJIMV-QGZVFWFLSA-N 1 1 313.357 2.390 20 5 DEBDMO Cc1ccccc1[C@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754217571 639402984 /nfs/dbraw/zinc/40/29/84/639402984.db2.gz XJVDQJHKDHJIMV-QGZVFWFLSA-N 1 1 313.357 2.390 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000754222302 639403260 /nfs/dbraw/zinc/40/32/60/639403260.db2.gz BIRNHVDUVGDORT-LLVKDONJSA-N 1 1 309.341 2.209 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000754222302 639403264 /nfs/dbraw/zinc/40/32/64/639403264.db2.gz BIRNHVDUVGDORT-LLVKDONJSA-N 1 1 309.341 2.209 20 5 DEBDMO Cc1nn(C[N@H+]2CCS[C@H](C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000754883016 639489944 /nfs/dbraw/zinc/48/99/44/639489944.db2.gz PENCJHOEPGEDDI-SNVBAGLBSA-N 1 1 321.406 2.433 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OCCO)C2)cc1Cl ZINC000761511168 640319397 /nfs/dbraw/zinc/31/93/97/640319397.db2.gz KMOMMELCDNUUMI-GFCCVEGCSA-N 1 1 314.769 2.222 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)cc1Cl ZINC000761511168 640319401 /nfs/dbraw/zinc/31/94/01/640319401.db2.gz KMOMMELCDNUUMI-GFCCVEGCSA-N 1 1 314.769 2.222 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000761734612 640341860 /nfs/dbraw/zinc/34/18/60/640341860.db2.gz SLLOINAEMCPNHE-NSHDSACASA-N 1 1 307.350 2.208 20 5 DEBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000929114918 640768368 /nfs/dbraw/zinc/76/83/68/640768368.db2.gz PBPMMSACAHFDCD-UHFFFAOYSA-N 1 1 309.391 2.094 20 5 DEBDMO Cc1ccc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000929118806 640771183 /nfs/dbraw/zinc/77/11/83/640771183.db2.gz SKADROZYPRNQMT-FZMZJTMJSA-N 1 1 304.350 2.071 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000765633014 640803069 /nfs/dbraw/zinc/80/30/69/640803069.db2.gz GRPWFDHROHBFOR-NWDGAFQWSA-N 1 1 303.366 2.161 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccn[nH]3)CC2)cc1 ZINC000765849265 640824529 /nfs/dbraw/zinc/82/45/29/640824529.db2.gz VNQCVHIRBQKBFZ-UHFFFAOYSA-N 1 1 301.350 2.077 20 5 DEBDMO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000767350842 640968518 /nfs/dbraw/zinc/96/85/18/640968518.db2.gz PUHJYRCZNCHNMB-UHFFFAOYSA-N 1 1 303.362 2.086 20 5 DEBDMO Cc1[nH+]ccn1CCCOC(=O)COc1ccccc1[N+](=O)[O-] ZINC000767499845 640984341 /nfs/dbraw/zinc/98/43/41/640984341.db2.gz OARGAEVYTHGVLC-UHFFFAOYSA-N 1 1 319.317 2.112 20 5 DEBDMO CC[N@H+](CC(=O)NC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000768302369 641066651 /nfs/dbraw/zinc/06/66/51/641066651.db2.gz LIZUMCOFAHBWHX-UHFFFAOYSA-N 1 1 317.345 2.423 20 5 DEBDMO CC[N@@H+](CC(=O)NC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000768302369 641066655 /nfs/dbraw/zinc/06/66/55/641066655.db2.gz LIZUMCOFAHBWHX-UHFFFAOYSA-N 1 1 317.345 2.423 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000898269936 641077990 /nfs/dbraw/zinc/07/79/90/641077990.db2.gz CZTQVYOENHINTI-UHFFFAOYSA-N 1 1 322.752 2.265 20 5 DEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000771291438 641490857 /nfs/dbraw/zinc/49/08/57/641490857.db2.gz ZIUPFWCTFWRALX-QWRGUYRKSA-N 1 1 318.377 2.008 20 5 DEBDMO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000774876915 641976419 /nfs/dbraw/zinc/97/64/19/641976419.db2.gz FENPLAYKIGTANV-AWEZNQCLSA-N 1 1 320.349 2.172 20 5 DEBDMO CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000774880574 641977575 /nfs/dbraw/zinc/97/75/75/641977575.db2.gz IKIVTBCVSSPUEY-LLVKDONJSA-N 1 1 308.338 2.029 20 5 DEBDMO CC(C)(C)C[N@@H+](CCCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583115 642188134 /nfs/dbraw/zinc/18/81/34/642188134.db2.gz WTZWXZJMKBWTGT-OAHLLOKOSA-N 1 1 310.394 2.359 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000781354434 642742770 /nfs/dbraw/zinc/74/27/70/642742770.db2.gz RHNNEAPXQWAESB-OLZOCXBDSA-N 1 1 316.304 2.332 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000781354434 642742772 /nfs/dbraw/zinc/74/27/72/642742772.db2.gz RHNNEAPXQWAESB-OLZOCXBDSA-N 1 1 316.304 2.332 20 5 DEBDMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783550833 643019499 /nfs/dbraw/zinc/01/94/99/643019499.db2.gz VALMPDDXNYLJLH-LLVKDONJSA-N 1 1 311.769 2.478 20 5 DEBDMO COCC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783569078 643020658 /nfs/dbraw/zinc/02/06/58/643020658.db2.gz AZOPEAYXOBONJX-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO C[C@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000902929755 643195594 /nfs/dbraw/zinc/19/55/94/643195594.db2.gz YHAIZCNJPAEUNA-GZMMTYOYSA-N 1 1 312.757 2.462 20 5 DEBDMO COCC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000786185848 643336088 /nfs/dbraw/zinc/33/60/88/643336088.db2.gz CEIHBFDTXQYWEE-CYBMUJFWSA-N 1 1 314.769 2.486 20 5 DEBDMO COCC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000786185848 643336092 /nfs/dbraw/zinc/33/60/92/643336092.db2.gz CEIHBFDTXQYWEE-CYBMUJFWSA-N 1 1 314.769 2.486 20 5 DEBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@H+]1CCCC[C@@H]1C ZINC000786772547 643407097 /nfs/dbraw/zinc/40/70/97/643407097.db2.gz KBDHPRYVIQOQMK-RYUDHWBXSA-N 1 1 320.393 2.170 20 5 DEBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCOC1 ZINC000787335799 643483513 /nfs/dbraw/zinc/48/35/13/643483513.db2.gz UCXSIURFBBXMRM-GFCCVEGCSA-N 1 1 314.769 2.486 20 5 DEBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCOC1 ZINC000787335799 643483516 /nfs/dbraw/zinc/48/35/16/643483516.db2.gz UCXSIURFBBXMRM-GFCCVEGCSA-N 1 1 314.769 2.486 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCCC[C@@H]2CCO)c1 ZINC000792929018 644168916 /nfs/dbraw/zinc/16/89/16/644168916.db2.gz UYNSCZRPAXQTNJ-GDBMZVCRSA-N 1 1 308.378 2.255 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000792942306 644170957 /nfs/dbraw/zinc/17/09/57/644170957.db2.gz ZENQLVIJKCSBMI-HZPDHXFCSA-N 1 1 306.362 2.131 20 5 DEBDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801550963 645413358 /nfs/dbraw/zinc/41/33/58/645413358.db2.gz FRVZQYYDVPGLJF-UHFFFAOYSA-N 1 1 323.368 2.472 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000843893835 651045104 /nfs/dbraw/zinc/04/51/04/651045104.db2.gz RHGHQMBJZDOGJB-INIZCTEOSA-N 1 1 321.352 2.210 20 5 DEBDMO COC[C@]1(C)CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000840106685 645973151 /nfs/dbraw/zinc/97/31/51/645973151.db2.gz JVUIOUIPZFYRTC-OAHLLOKOSA-N 1 1 304.350 2.260 20 5 DEBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000811857584 646585854 /nfs/dbraw/zinc/58/58/54/646585854.db2.gz JWYKUFSKCVBIRW-MRVPVSSYSA-N 1 1 306.297 2.435 20 5 DEBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000811857584 646585859 /nfs/dbraw/zinc/58/58/59/646585859.db2.gz JWYKUFSKCVBIRW-MRVPVSSYSA-N 1 1 306.297 2.435 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000168632903 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CC(C)c1ccc(C[N@@H+]2CCCN(C=O)CC2)cc1[N+](=O)[O-] ZINC000827877875 649098295 /nfs/dbraw/zinc/09/82/95/649098295.db2.gz VJUUKHHPDVNCKL-UHFFFAOYSA-N 1 1 305.378 2.382 20 5 DEBDMO CC(C)c1ccc(C[N@H+]2CCCN(C=O)CC2)cc1[N+](=O)[O-] ZINC000827877875 649098299 /nfs/dbraw/zinc/09/82/99/649098299.db2.gz VJUUKHHPDVNCKL-UHFFFAOYSA-N 1 1 305.378 2.382 20 5 DEBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827977203 649114827 /nfs/dbraw/zinc/11/48/27/649114827.db2.gz AHEQMIFWMCFMAY-QKPAOTATSA-N 1 1 315.373 2.003 20 5 DEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827977203 649114830 /nfs/dbraw/zinc/11/48/30/649114830.db2.gz AHEQMIFWMCFMAY-QKPAOTATSA-N 1 1 315.373 2.003 20 5 DEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000828420050 649176449 /nfs/dbraw/zinc/17/64/49/649176449.db2.gz AWJWYIPHSIBOHH-AWEZNQCLSA-N 1 1 321.377 2.056 20 5 DEBDMO O=C1OCCN1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539678 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2.210 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc(F)n3)C2)nc1 ZINC000851843270 652255684 /nfs/dbraw/zinc/25/56/84/652255684.db2.gz FEDHFZLFDZENTN-LBPRGKRZSA-N 1 1 317.324 2.210 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](C2CC2)C2(CO)CCC2)cc1 ZINC000852160104 652355162 /nfs/dbraw/zinc/35/51/62/652355162.db2.gz ZCJNKLQUQNEJOK-OAHLLOKOSA-N 1 1 306.362 2.008 20 5 DEBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000852463284 652404552 /nfs/dbraw/zinc/40/45/52/652404552.db2.gz VDQKWXBIQRTEPH-WQVCFCJDSA-N 1 1 308.378 2.111 20 5 DEBDMO C[N@@H+](CC1=CCCOC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853561810 652568519 /nfs/dbraw/zinc/56/85/19/652568519.db2.gz RQMBIWGJDLMPCT-UHFFFAOYSA-N 1 1 302.334 2.181 20 5 DEBDMO C[N@H+](CC1=CCCOC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853561810 652568520 /nfs/dbraw/zinc/56/85/20/652568520.db2.gz RQMBIWGJDLMPCT-UHFFFAOYSA-N 1 1 302.334 2.181 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@H]3COC[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000853591960 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2.489 20 5 DEBDMO O=C(OCC[NH+]1CCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000861388987 686072237 /nfs/dbraw/zinc/07/22/37/686072237.db2.gz UJNYGINAIXFWPS-UHFFFAOYSA-N 1 1 316.260 2.059 20 5 DEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000861809662 686186073 /nfs/dbraw/zinc/18/60/73/686186073.db2.gz YEPVJFWBOHFNAL-JOYOIKCWSA-N 1 1 309.753 2.024 20 5 DEBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000864886034 686875258 /nfs/dbraw/zinc/87/52/58/686875258.db2.gz XKPAWIXYEZNFQU-ZIAGYGMSSA-N 1 1 321.352 2.019 20 5 DEBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000864905450 686880491 /nfs/dbraw/zinc/88/04/91/686880491.db2.gz CIWRBCVENQVWKU-OLZOCXBDSA-N 1 1 321.352 2.019 20 5 DEBDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC[N+](=O)[O-] ZINC000930065475 694081913 /nfs/dbraw/zinc/08/19/13/694081913.db2.gz KCOHXBDTBVUVCF-PBHICJAKSA-N 1 1 320.437 2.199 20 5 DEBDMO CC[N@@H+](CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C(C)C ZINC000865499260 687236467 /nfs/dbraw/zinc/23/64/67/687236467.db2.gz ILIYECLHYDMHAE-UHFFFAOYSA-N 1 1 323.319 2.489 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C2CC2)cc1 ZINC000930140498 694099253 /nfs/dbraw/zinc/09/92/53/694099253.db2.gz BARGBOZZRYZLTD-RRQGHBQHSA-N 1 1 318.373 2.363 20 5 DEBDMO C[N@H+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCC1(C)C ZINC000866112679 687450799 /nfs/dbraw/zinc/45/07/99/687450799.db2.gz IQJAOCOLLVEZHS-UHFFFAOYSA-N 1 1 308.338 2.424 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000866155142 687469301 /nfs/dbraw/zinc/46/93/01/687469301.db2.gz YZCYHIRQVXIOQE-YGRLFVJLSA-N 1 1 322.340 2.292 20 5 DEBDMO C[C@@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000866411686 687563800 /nfs/dbraw/zinc/56/38/00/687563800.db2.gz SZOMOJMIYOQBEJ-OCCSQVGLSA-N 1 1 307.394 2.091 20 5 DEBDMO C[C@@H](N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000866411686 687563803 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UVLUZABESUWIAJ-RYUDHWBXSA-N 1 1 309.366 2.353 20 5 DEBDMO C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000870911596 688684962 /nfs/dbraw/zinc/68/49/62/688684962.db2.gz YPDIUBUFYHOSAE-BFQNTYOBSA-N 1 1 305.378 2.273 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CCC[N@@H+]1CCCO ZINC000873129518 689164982 /nfs/dbraw/zinc/16/49/82/689164982.db2.gz PVEYBJXFTZSJNV-OAHLLOKOSA-N 1 1 321.421 2.148 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CCC[N@H+]1CCCO ZINC000873129518 689164984 /nfs/dbraw/zinc/16/49/84/689164984.db2.gz PVEYBJXFTZSJNV-OAHLLOKOSA-N 1 1 321.421 2.148 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874828779 689504139 /nfs/dbraw/zinc/50/41/39/689504139.db2.gz IEKMAXBZAUVEHJ-OLZOCXBDSA-N 1 1 303.362 2.212 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000874850386 689519353 /nfs/dbraw/zinc/51/93/53/689519353.db2.gz RTIIYEWBHKPSLC-PDTSHOSPSA-N 1 1 315.373 2.303 20 5 DEBDMO COc1ccc(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877741699 690211001 /nfs/dbraw/zinc/21/10/01/690211001.db2.gz BBLCXMOZUUMVPH-KGLIPLIRSA-N 1 1 305.378 2.129 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]21 ZINC000877742368 690212630 /nfs/dbraw/zinc/21/26/30/690212630.db2.gz PAPVDFSRLUGORN-RISCZKNCSA-N 1 1 316.361 2.262 20 5 DEBDMO COc1cc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000877753122 690216587 /nfs/dbraw/zinc/21/65/87/690216587.db2.gz NBOKTTIORPINHM-GFCCVEGCSA-N 1 1 324.377 2.205 20 5 DEBDMO COc1cc(C[N@H+]2C[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000877753122 690216590 /nfs/dbraw/zinc/21/65/90/690216590.db2.gz NBOKTTIORPINHM-GFCCVEGCSA-N 1 1 324.377 2.205 20 5 DEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1(CO)CCCC1 ZINC000877916489 690259891 /nfs/dbraw/zinc/25/98/91/690259891.db2.gz DRTHIAOWRMAIQL-HNNXBMFYSA-N 1 1 322.405 2.330 20 5 DEBDMO CC(C)(O)C[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000878325256 690379367 /nfs/dbraw/zinc/37/93/67/690379367.db2.gz GJNDLCKEMDSAGG-HNNXBMFYSA-N 1 1 308.378 2.081 20 5 DEBDMO C[N@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000878840120 690511086 /nfs/dbraw/zinc/51/10/86/690511086.db2.gz KNZFVJFCWHKCSN-HZPDHXFCSA-N 1 1 321.421 2.290 20 5 DEBDMO CN1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000878840120 690511090 /nfs/dbraw/zinc/51/10/90/690511090.db2.gz KNZFVJFCWHKCSN-HZPDHXFCSA-N 1 1 321.421 2.290 20 5 DEBDMO CN1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000878840120 690511091 /nfs/dbraw/zinc/51/10/91/690511091.db2.gz KNZFVJFCWHKCSN-HZPDHXFCSA-N 1 1 321.421 2.290 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000878876860 690519092 /nfs/dbraw/zinc/51/90/92/690519092.db2.gz WFCVFIIMFRCCBM-HUUCEWRRSA-N 1 1 302.334 2.188 20 5 DEBDMO COC[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000879161839 690580969 /nfs/dbraw/zinc/58/09/69/690580969.db2.gz DRHFZGPRHWDCLT-LBPRGKRZSA-N 1 1 323.176 2.389 20 5 DEBDMO COc1cc(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000879579788 690679751 /nfs/dbraw/zinc/67/97/51/690679751.db2.gz BBWHGDUSEZRUQF-SMDDNHRTSA-N 1 1 323.368 2.269 20 5 DEBDMO CC1(C)C[C@@H](O)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000879620400 690690317 /nfs/dbraw/zinc/69/03/17/690690317.db2.gz GGMYTNHTEAGSBN-CQSZACIVSA-N 1 1 321.377 2.016 20 5 DEBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCOCC1 ZINC000879706454 690711625 /nfs/dbraw/zinc/71/16/25/690711625.db2.gz QVONOHKYQDIJCA-UHFFFAOYSA-N 1 1 324.377 2.231 20 5 DEBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000879708795 690712544 /nfs/dbraw/zinc/71/25/44/690712544.db2.gz FPBIGSITDXJVFZ-UHFFFAOYSA-N 1 1 324.377 2.231 20 5 DEBDMO COc1ccc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000880132327 690811414 /nfs/dbraw/zinc/81/14/14/690811414.db2.gz OBVVHWBSHDTBFX-ZIAGYGMSSA-N 1 1 305.378 2.272 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880133061 690812900 /nfs/dbraw/zinc/81/29/00/690812900.db2.gz ZFIFIWZSDCGMSJ-GJZGRUSLSA-N 1 1 305.378 2.272 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCOc1ccccc1[N+](=O)[O-] ZINC000880134513 690814550 /nfs/dbraw/zinc/81/45/50/690814550.db2.gz SSCNXPKMVHQIDR-ZIAGYGMSSA-N 1 1 305.378 2.142 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](CF)C2)c1 ZINC000880230667 690844112 /nfs/dbraw/zinc/84/41/12/690844112.db2.gz MUFCPTPEIWMEMU-GXTWGEPZSA-N 1 1 312.341 2.016 20 5 DEBDMO Cc1c(C[N@@H+]2CCC[C@H]3CCNC(=O)[C@H]32)cccc1[N+](=O)[O-] ZINC000880530420 690919257 /nfs/dbraw/zinc/91/92/57/690919257.db2.gz PTYSSDADRAQLDU-WFASDCNBSA-N 1 1 303.362 2.004 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@H]3CCNC(=O)[C@H]32)cccc1[N+](=O)[O-] ZINC000880530420 690919259 /nfs/dbraw/zinc/91/92/59/690919259.db2.gz PTYSSDADRAQLDU-WFASDCNBSA-N 1 1 303.362 2.004 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000882490432 691295549 /nfs/dbraw/zinc/29/55/49/691295549.db2.gz PCWDLPVWZRUIAU-LBPRGKRZSA-N 1 1 323.368 2.222 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931611384 694439905 /nfs/dbraw/zinc/43/99/05/694439905.db2.gz UAPZHCQYCZMSAG-ZANVPECISA-N 1 1 322.340 2.338 20 5 DEBDMO CCOC(=O)c1cc(NC[C@H]2CC[N@H+]2CC)ccc1[N+](=O)[O-] ZINC000882960344 691397251 /nfs/dbraw/zinc/39/72/51/691397251.db2.gz HHYQUXBORDAOQG-GFCCVEGCSA-N 1 1 307.350 2.278 20 5 DEBDMO Cc1noc([C@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC000885964967 691972826 /nfs/dbraw/zinc/97/28/26/691972826.db2.gz HDMMXUPOAXGUEJ-LBPRGKRZSA-N 1 1 303.322 2.061 20 5 DEBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC000885964967 691972827 /nfs/dbraw/zinc/97/28/27/691972827.db2.gz HDMMXUPOAXGUEJ-LBPRGKRZSA-N 1 1 303.322 2.061 20 5 DEBDMO O=[N+]([O-])c1ncccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000886081864 691999493 /nfs/dbraw/zinc/99/94/93/691999493.db2.gz ZTIBEFPFJRXJHN-XJKSGUPXSA-N 1 1 316.405 2.439 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000887921337 692479410 /nfs/dbraw/zinc/47/94/10/692479410.db2.gz CMXBGQYUBRTHHY-DYVFJYSZSA-N 1 1 317.389 2.235 20 5 DEBDMO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000932103993 694547261 /nfs/dbraw/zinc/54/72/61/694547261.db2.gz WDNNDQIRWCABPS-DGCLKSJQSA-N 1 1 322.361 2.234 20 5 DEBDMO Cc1c(C(=O)NCC[N@H+]2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000890081430 692857964 /nfs/dbraw/zinc/85/79/64/692857964.db2.gz IFBBWCJXSNXRRA-UHFFFAOYSA-N 1 1 305.378 2.365 20 5 DEBDMO COC[C@H]1CCCC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894784387 692987620 /nfs/dbraw/zinc/98/76/20/692987620.db2.gz NDIVREDPWHJLQQ-GFCCVEGCSA-N 1 1 310.350 2.310 20 5 DEBDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894784387 692987623 /nfs/dbraw/zinc/98/76/23/692987623.db2.gz NDIVREDPWHJLQQ-GFCCVEGCSA-N 1 1 310.350 2.310 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896521023 693003475 /nfs/dbraw/zinc/00/34/75/693003475.db2.gz BMTKJVQTSXKYDJ-LBPRGKRZSA-N 1 1 309.341 2.399 20 5 DEBDMO Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC001347891113 1151104878 /nfs/dbraw/zinc/10/48/78/1151104878.db2.gz RIIUVGOWOARDDN-UHFFFAOYSA-N 1 1 306.366 2.461 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001355254075 1151996411 /nfs/dbraw/zinc/99/64/11/1151996411.db2.gz GKOUZHCPROFQFS-CYBMUJFWSA-N 1 1 323.393 2.273 20 5 DEBDMO CCN1CCCC[C@@H]1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001355254075 1151996416 /nfs/dbraw/zinc/99/64/16/1151996416.db2.gz GKOUZHCPROFQFS-CYBMUJFWSA-N 1 1 323.393 2.273 20 5 DEBDMO O=[N+]([O-])c1cc(Cl)ncc1NCC[NH+]1CCSCC1 ZINC001167834965 778686714 /nfs/dbraw/zinc/68/67/14/778686714.db2.gz QLEZWMHOZPFDJR-UHFFFAOYSA-N 1 1 302.787 2.104 20 5 DEBDMO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NC1C[NH+](C(C)C)C1 ZINC001168317482 780834530 /nfs/dbraw/zinc/83/45/30/780834530.db2.gz NNBSOOZPMHJEQT-UHFFFAOYSA-N 1 1 307.350 2.194 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCN(c3ccc(F)cn3)CC2)C1 ZINC001169007662 784999840 /nfs/dbraw/zinc/99/98/40/784999840.db2.gz OZXVGYWVJTWMIA-ZFWWWQNUSA-N 1 1 322.384 2.178 20 5 DEBDMO CC(C)(C)OC(=O)O[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169009498 785001509 /nfs/dbraw/zinc/00/15/09/785001509.db2.gz WNSLSIMFYDZCGH-YNEHKIRRSA-N 1 1 314.382 2.458 20 5 DEBDMO CN1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001169008558 785001708 /nfs/dbraw/zinc/00/17/08/785001708.db2.gz SQXANKWVXCOURJ-UAGQMJEPSA-N 1 1 303.406 2.421 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCN(Cc3ccncc3)CC2)C1 ZINC001169008224 785002173 /nfs/dbraw/zinc/00/21/73/785002173.db2.gz SDVPONCIQJUTCB-IAGOWNOFSA-N 1 1 318.421 2.035 20 5 DEBDMO O=C1Nc2ccccc2[C@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169011234 785002923 /nfs/dbraw/zinc/00/29/23/785002923.db2.gz IWIDPZPSRVFROO-VIRABCJISA-N 1 1 315.373 2.100 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3cc4c(cc3C2)OCO4)C1 ZINC001169010963 785003212 /nfs/dbraw/zinc/00/32/12/785003212.db2.gz GSESTMKSLJGUAP-BXUZGUMPSA-N 1 1 304.346 2.219 20 5 DEBDMO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034955 785011914 /nfs/dbraw/zinc/01/19/14/785011914.db2.gz IVHHCXJWCSXSBF-RCBQFDQVSA-N 1 1 318.373 2.032 20 5 DEBDMO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034955 785011919 /nfs/dbraw/zinc/01/19/19/785011919.db2.gz IVHHCXJWCSXSBF-RCBQFDQVSA-N 1 1 318.373 2.032 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)C1 ZINC001169026619 785019561 /nfs/dbraw/zinc/01/95/61/785019561.db2.gz YBYCQWKMULAAPO-NQNKBUKLSA-N 1 1 324.421 2.090 20 5 DEBDMO CC(C)CC(=O)N1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169047601 785021789 /nfs/dbraw/zinc/02/17/89/785021789.db2.gz RMCKJOKYZBICQD-LSDHHAIUSA-N 1 1 311.426 2.012 20 5 DEBDMO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047447 785021904 /nfs/dbraw/zinc/02/19/04/785021904.db2.gz RABUQNOTMOEFEC-IHRRRGAJSA-N 1 1 312.410 2.486 20 5 DEBDMO Cc1ccnc(O[C@@H]2CCC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169054235 785024404 /nfs/dbraw/zinc/02/44/04/785024404.db2.gz LBEIGHQNSAQMBR-QLFBSQMISA-N 1 1 320.393 2.074 20 5 DEBDMO CC[N@@H+](CCN(C)C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329537 786911587 /nfs/dbraw/zinc/91/15/87/786911587.db2.gz QSWMPLYWLCQVNZ-ZDUSSCGKSA-N 1 1 309.410 2.418 20 5 DEBDMO CCN(CC[NH+](C)C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329537 786911593 /nfs/dbraw/zinc/91/15/93/786911593.db2.gz QSWMPLYWLCQVNZ-ZDUSSCGKSA-N 1 1 309.410 2.418 20 5 DEBDMO N[C@@H](CCC[NH3+])Nc1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001159786806 789680058 /nfs/dbraw/zinc/68/00/58/789680058.db2.gz KMUVTYKHRJXQOK-LLVKDONJSA-N 1 1 309.757 2.232 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903223 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301.350 2.434 20 5 DEBDMO Cc1ccnc(N[C@@H](C[NH+]2CCOCC2)C(C)(C)C)c1[N+](=O)[O-] ZINC001162876946 799193441 /nfs/dbraw/zinc/19/34/41/799193441.db2.gz XCZNNKCDIQLWND-ZDUSSCGKSA-N 1 1 322.409 2.457 20 5 DEBDMO CCc1[nH+]ccn1CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001164137943 799521707 /nfs/dbraw/zinc/52/17/07/799521707.db2.gz DZFVMIQIIIIKNN-UHFFFAOYSA-N 1 1 312.333 2.409 20 5 DEBDMO CCOC(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000932642102 799872244 /nfs/dbraw/zinc/87/22/44/799872244.db2.gz CDDCRRHXAWQNNE-JTQLQIEISA-N 1 1 319.317 2.121 20 5 DEBDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000932642102 799872253 /nfs/dbraw/zinc/87/22/53/799872253.db2.gz CDDCRRHXAWQNNE-JTQLQIEISA-N 1 1 319.317 2.121 20 5 DEBDMO C[NH+](C)/C=C/c1cc(N2CCC[C@H](CCO)C2)ncc1[N+](=O)[O-] ZINC001166850295 799964433 /nfs/dbraw/zinc/96/44/33/799964433.db2.gz WGLFNAJGNFPKQL-OQHXTRMZSA-N 1 1 320.393 2.121 20 5 DEBDMO CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000932972813 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C[C@H](c1cccc(O)c1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554256 185302681 /nfs/dbraw/zinc/30/26/81/185302681.db2.gz QXRDZIMHHXGGJH-GFCCVEGCSA-N 1 1 317.345 2.155 20 5 DEBDMO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000279326607 214794751 /nfs/dbraw/zinc/79/47/51/214794751.db2.gz OLXMDIOUZMFLJB-BLLLJJGKSA-N 1 1 306.362 2.473 20 5 DEBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000279326607 214794753 /nfs/dbraw/zinc/79/47/53/214794753.db2.gz OLXMDIOUZMFLJB-BLLLJJGKSA-N 1 1 306.362 2.473 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286693507 219113395 /nfs/dbraw/zinc/11/33/95/219113395.db2.gz BQRZUZJLXLJRAE-VIFPVBQESA-N 1 1 307.379 2.496 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930530 530065243 /nfs/dbraw/zinc/06/52/43/530065243.db2.gz IXDNUOFWNQREFL-IRXDYDNUSA-N 1 1 319.405 2.046 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272630036 210032350 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CN(c1ncnc2sc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+](C)C1 ZINC000287228476 219393986 /nfs/dbraw/zinc/39/39/86/219393986.db2.gz JDKBSPMRKLYXBP-VIFPVBQESA-N 1 1 307.379 2.130 20 5 DEBDMO Cc1noc(C[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000595505486 358468232 /nfs/dbraw/zinc/46/82/32/358468232.db2.gz SDCWZIZLZRHGKC-GFCCVEGCSA-N 1 1 319.365 2.250 20 5 DEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000072874955 191245659 /nfs/dbraw/zinc/24/56/59/191245659.db2.gz VMDJUASFCUEGGG-NSHDSACASA-N 1 1 307.350 2.416 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000595534268 358476000 /nfs/dbraw/zinc/47/60/00/358476000.db2.gz RRUGHMMUGYUGHJ-UHFFFAOYSA-N 1 1 306.362 2.483 20 5 DEBDMO CCCC[N@@H+](C)CC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355799974 535215328 /nfs/dbraw/zinc/21/53/28/535215328.db2.gz ZHXAYHBNRQYMND-UHFFFAOYSA-N 1 1 323.441 2.272 20 5 DEBDMO COc1cc(NCC[N@@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000174726755 198376025 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CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000045753290 354261744 /nfs/dbraw/zinc/26/17/44/354261744.db2.gz PVAWOALUUWPKOZ-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000046955699 354299504 /nfs/dbraw/zinc/29/95/04/354299504.db2.gz GGSSUFWNVGADNC-GFCCVEGCSA-N 1 1 306.366 2.367 20 5 DEBDMO CNc1ccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047148521 354308181 /nfs/dbraw/zinc/30/81/81/354308181.db2.gz YWQXLEAJIAZWNS-LBPRGKRZSA-N 1 1 320.393 2.098 20 5 DEBDMO Cc1nn(C)c(N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000051400855 354383549 /nfs/dbraw/zinc/38/35/49/354383549.db2.gz IMRSTWUSQCLVHP-UHFFFAOYSA-N 1 1 321.406 2.020 20 5 DEBDMO CC[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049337439 354360150 /nfs/dbraw/zinc/36/01/50/354360150.db2.gz XSEABCGZDDVHSV-UHFFFAOYSA-N 1 1 300.746 2.321 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CC1CC1 ZINC000053183734 354425970 /nfs/dbraw/zinc/42/59/70/354425970.db2.gz CPZPWLIARKVPIU-JTQLQIEISA-N 1 1 307.350 2.272 20 5 DEBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000054281588 354457578 /nfs/dbraw/zinc/45/75/78/354457578.db2.gz SKTMHNRJFMSGMD-UHFFFAOYSA-N 1 1 313.357 2.457 20 5 DEBDMO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595567595 358487774 /nfs/dbraw/zinc/48/77/74/358487774.db2.gz UMLBPCSDJTUHAV-ZFWWWQNUSA-N 1 1 315.373 2.358 20 5 DEBDMO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595567595 358487780 /nfs/dbraw/zinc/48/77/80/358487780.db2.gz UMLBPCSDJTUHAV-ZFWWWQNUSA-N 1 1 315.373 2.358 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(CCO)CC3)nc2c1 ZINC000618280663 363447133 /nfs/dbraw/zinc/44/71/33/363447133.db2.gz FTMSUQABHFWUPQ-UHFFFAOYSA-N 1 1 304.350 2.066 20 5 DEBDMO C[C@@H](O)CC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072713876 354915390 /nfs/dbraw/zinc/91/53/90/354915390.db2.gz RUQCINXCRDXABJ-MNOVXSKESA-N 1 1 320.349 2.409 20 5 DEBDMO C[C@@H](O)CC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072713876 354915397 /nfs/dbraw/zinc/91/53/97/354915397.db2.gz RUQCINXCRDXABJ-MNOVXSKESA-N 1 1 320.349 2.409 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076795407 355168205 /nfs/dbraw/zinc/16/82/05/355168205.db2.gz PUXLZEQWDSCDCH-LLVKDONJSA-N 1 1 308.386 2.034 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC2(C1)CCOCC2 ZINC000076177522 355132074 /nfs/dbraw/zinc/13/20/74/355132074.db2.gz VBNISPUUUKQRBS-UHFFFAOYSA-N 1 1 306.362 2.476 20 5 DEBDMO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000080597560 355372754 /nfs/dbraw/zinc/37/27/54/355372754.db2.gz JJJUEJZTDXRINE-ZDUSSCGKSA-N 1 1 308.382 2.067 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292194732 283106081 /nfs/dbraw/zinc/10/60/81/283106081.db2.gz LIYPQBSXTFBMKV-OAHLLOKOSA-N 1 1 323.780 2.416 20 5 DEBDMO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000090884354 355568651 /nfs/dbraw/zinc/56/86/51/355568651.db2.gz IZQDHXLMMINPIQ-BXUZGUMPSA-N 1 1 304.350 2.021 20 5 DEBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000090884352 355568878 /nfs/dbraw/zinc/56/88/78/355568878.db2.gz IZQDHXLMMINPIQ-RISCZKNCSA-N 1 1 304.350 2.021 20 5 DEBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CCC1 ZINC000111296969 355748037 /nfs/dbraw/zinc/74/80/37/355748037.db2.gz VCHJXCLYPHIYIZ-UHFFFAOYSA-N 1 1 303.362 2.216 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000139593054 355878337 /nfs/dbraw/zinc/87/83/37/355878337.db2.gz YWTFWGCPBUHPCC-UHFFFAOYSA-N 1 1 315.377 2.041 20 5 DEBDMO C[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185179436 356203284 /nfs/dbraw/zinc/20/32/84/356203284.db2.gz BEHBTCAQDQNOKZ-WDEREUQCSA-N 1 1 323.368 2.436 20 5 DEBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000081527660 192283365 /nfs/dbraw/zinc/28/33/65/192283365.db2.gz QCCUBIUXVBBHMP-GFCCVEGCSA-N 1 1 323.393 2.196 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000595632840 358507778 /nfs/dbraw/zinc/50/77/78/358507778.db2.gz IYVSTHBHVBOHNC-VNHYZAJKSA-N 1 1 306.362 2.066 20 5 DEBDMO CCOc1cc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000276940670 213191030 /nfs/dbraw/zinc/19/10/30/213191030.db2.gz SCFITPLMKOICJT-LBPRGKRZSA-N 1 1 321.377 2.081 20 5 DEBDMO CCOc1cc(C[N@@H+](C)C[C@H](C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000276886789 213155671 /nfs/dbraw/zinc/15/56/71/213155671.db2.gz JNEKXFZADCLGMA-NSHDSACASA-N 1 1 310.350 2.234 20 5 DEBDMO CO[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000590659601 357574135 /nfs/dbraw/zinc/57/41/35/357574135.db2.gz VHGRDFSNLUUMHH-RISCZKNCSA-N 1 1 322.361 2.223 20 5 DEBDMO Cc1ccc([C@@H](C)NC[C@H](O)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000590605228 357566551 /nfs/dbraw/zinc/56/65/51/357566551.db2.gz FIXHHNPFBPLYCT-HIFRSBDPSA-N 1 1 309.410 2.255 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605133 357566581 /nfs/dbraw/zinc/56/65/81/357566581.db2.gz AGMLEFMQOMKVSI-QGZVFWFLSA-N 1 1 321.421 2.260 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000591853373 357769029 /nfs/dbraw/zinc/76/90/29/357769029.db2.gz ZLSJDUNBLDLIIN-SMDDNHRTSA-N 1 1 316.361 2.262 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000592141546 357838931 /nfs/dbraw/zinc/83/89/31/357838931.db2.gz HDGUHFOTYSPYHZ-CJNGLKHVSA-N 1 1 306.362 2.475 20 5 DEBDMO COC[C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179365930 199022671 /nfs/dbraw/zinc/02/26/71/199022671.db2.gz FVXVKUIOOAQBTA-LBPRGKRZSA-N 1 1 318.377 2.462 20 5 DEBDMO COc1cc(C[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000179397611 199027959 /nfs/dbraw/zinc/02/79/59/199027959.db2.gz HRRHHYHHIMFWSR-LLVKDONJSA-N 1 1 310.350 2.223 20 5 DEBDMO COc1cc(C[N@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000179397611 199027961 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DEBDMO O=C1CCCN1[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000276727283 213070839 /nfs/dbraw/zinc/07/08/39/213070839.db2.gz BBCZSNHLBJGMCR-VFQAQYNWSA-N 1 1 315.373 2.305 20 5 DEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000834817010 649851682 /nfs/dbraw/zinc/85/16/82/649851682.db2.gz GMQZQGNNTXGPAG-CYBMUJFWSA-N 1 1 315.732 2.022 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593613602 358111145 /nfs/dbraw/zinc/11/11/45/358111145.db2.gz UEAIOTDIZDBYEW-CQSZACIVSA-N 1 1 323.368 2.265 20 5 DEBDMO CC[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCCCC1 ZINC000593787658 358143109 /nfs/dbraw/zinc/14/31/09/358143109.db2.gz ZHSQIETWYLOFBJ-UHFFFAOYSA-N 1 1 323.397 2.092 20 5 DEBDMO CN(C)C(=O)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000593967436 358179902 /nfs/dbraw/zinc/17/99/02/358179902.db2.gz SAIWWJYAYOKPFY-UHFFFAOYSA-N 1 1 305.378 2.428 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594200277 358222428 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DEBDMO Cc1noc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388901 358437077 /nfs/dbraw/zinc/43/70/77/358437077.db2.gz YOMZZCZHCFBHLP-OCCSQVGLSA-N 1 1 320.393 2.340 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000595397212 358439835 /nfs/dbraw/zinc/43/98/35/358439835.db2.gz ORGJIAJXNULHSE-GFCCVEGCSA-N 1 1 319.340 2.238 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1=CCCOC1 ZINC000595752512 358541032 /nfs/dbraw/zinc/54/10/32/358541032.db2.gz MAPKABAKOFTSBV-GFCCVEGCSA-N 1 1 319.361 2.200 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1=CCCOC1 ZINC000595752512 358541036 /nfs/dbraw/zinc/54/10/36/358541036.db2.gz MAPKABAKOFTSBV-GFCCVEGCSA-N 1 1 319.361 2.200 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1=CCCOC1 ZINC000595754606 358542161 /nfs/dbraw/zinc/54/21/61/358542161.db2.gz ZBODPYJJBPFRFR-UHFFFAOYSA-N 1 1 319.361 2.120 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1=CCCOC1 ZINC000595754606 358542162 /nfs/dbraw/zinc/54/21/62/358542162.db2.gz ZBODPYJJBPFRFR-UHFFFAOYSA-N 1 1 319.361 2.120 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000595785617 358548634 /nfs/dbraw/zinc/54/86/34/358548634.db2.gz FSTMUCJSUQFWCQ-ZFWWWQNUSA-N 1 1 308.382 2.072 20 5 DEBDMO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000287029404 283378918 /nfs/dbraw/zinc/37/89/18/283378918.db2.gz SAYCWSPIJRDHNC-CYBMUJFWSA-N 1 1 307.350 2.305 20 5 DEBDMO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000287029404 283378921 /nfs/dbraw/zinc/37/89/21/283378921.db2.gz SAYCWSPIJRDHNC-CYBMUJFWSA-N 1 1 307.350 2.305 20 5 DEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC000595741536 358537509 /nfs/dbraw/zinc/53/75/09/358537509.db2.gz URMJCFOGVQCKLI-ZBFHGGJFSA-N 1 1 322.409 2.054 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595744984 358539001 /nfs/dbraw/zinc/53/90/01/358539001.db2.gz XJPCPWVWZJWBLB-DYEKYZERSA-N 1 1 303.362 2.256 20 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/nfs/dbraw/zinc/17/01/78/359170178.db2.gz RDBNFTFDNJWLJV-LBPRGKRZSA-N 1 1 323.418 2.287 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000598960915 359368114 /nfs/dbraw/zinc/36/81/14/359368114.db2.gz HMOOBXISIIQAOP-ZDUSSCGKSA-N 1 1 320.393 2.126 20 5 DEBDMO CCC(O)(CC)C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000599673440 359565922 /nfs/dbraw/zinc/56/59/22/359565922.db2.gz OMYHRDSZOUGZEL-UHFFFAOYSA-N 1 1 323.393 2.041 20 5 DEBDMO CN1C[C@H]([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CCC1=O ZINC000600179209 359677566 /nfs/dbraw/zinc/67/75/66/359677566.db2.gz VQMSVBZDSNAVNX-BRLPQQTGSA-N 1 1 303.362 2.161 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000600311004 359718847 /nfs/dbraw/zinc/71/88/47/359718847.db2.gz NFBKQHMYDFOVBQ-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO Cc1c(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000600309492 359718922 /nfs/dbraw/zinc/71/89/22/359718922.db2.gz ATMBAMOCYAYNDT-CYBMUJFWSA-N 1 1 305.378 2.365 20 5 DEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CCn2cc[nH+]c2C2CC2)cc1 ZINC000600611153 359783231 /nfs/dbraw/zinc/78/32/31/359783231.db2.gz NMCGXCNPVFIGCH-UHFFFAOYSA-N 1 1 321.358 2.143 20 5 DEBDMO Cn1nncc1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000342253391 404469702 /nfs/dbraw/zinc/46/97/02/404469702.db2.gz WBASQNJRCDTOTQ-UHFFFAOYSA-N 1 1 313.317 2.273 20 5 DEBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[N@@H+](C)C1CCC1 ZINC000600823335 359838048 /nfs/dbraw/zinc/83/80/48/359838048.db2.gz BWIWOWOXQBZJPC-UHFFFAOYSA-N 1 1 305.378 2.080 20 5 DEBDMO O=C(CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)NC1CCCC1 ZINC000601109556 359924472 /nfs/dbraw/zinc/92/44/72/359924472.db2.gz WICASEITPUIAFE-UHFFFAOYSA-N 1 1 314.345 2.036 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CCn4ccnc4C3)c2c1 ZINC000601146848 359941721 /nfs/dbraw/zinc/94/17/21/359941721.db2.gz DSFZSTOEJVYRGZ-NSHDSACASA-N 1 1 309.329 2.188 20 5 DEBDMO CC(C)Oc1nc(N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000601183974 359955851 /nfs/dbraw/zinc/95/58/51/359955851.db2.gz DZTKJRVRKBFLJY-QWHCGFSZSA-N 1 1 320.393 2.165 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000601299479 359999103 /nfs/dbraw/zinc/99/91/03/359999103.db2.gz LTRUFCUNVCXLMO-ZJUUUORDSA-N 1 1 307.325 2.089 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CCn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000601914175 360190014 /nfs/dbraw/zinc/19/00/14/360190014.db2.gz UZXLJNPWHSFRTE-WDEREUQCSA-N 1 1 303.366 2.367 20 5 DEBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000602133352 360279857 /nfs/dbraw/zinc/27/98/57/360279857.db2.gz USLNAZXQLQTNJY-INIZCTEOSA-N 1 1 317.389 2.270 20 5 DEBDMO COc1ncc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000602529158 360418804 /nfs/dbraw/zinc/41/88/04/360418804.db2.gz QXEYWPHBEQLQQJ-UHFFFAOYSA-N 1 1 309.347 2.358 20 5 DEBDMO C[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000602637681 360471449 /nfs/dbraw/zinc/47/14/49/360471449.db2.gz OUXFSQBCDKYSTQ-GHMZBOCLSA-N 1 1 303.366 2.043 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000602823594 360573817 /nfs/dbraw/zinc/57/38/17/360573817.db2.gz XGYSYZNTVWOPRA-WCBMZHEXSA-N 1 1 306.288 2.372 20 5 DEBDMO C[C@@]1(CCCO)CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271987929 209362080 /nfs/dbraw/zinc/36/20/80/209362080.db2.gz DCJJHKHTNYRJII-CVEARBPZSA-N 1 1 308.378 2.255 20 5 DEBDMO C[C@]1(CCCO)CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271987932 209361970 /nfs/dbraw/zinc/36/19/70/209361970.db2.gz DCJJHKHTNYRJII-HZPDHXFCSA-N 1 1 308.378 2.255 20 5 DEBDMO COC[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000610615740 361431514 /nfs/dbraw/zinc/43/15/14/361431514.db2.gz LSWSXZHHXMROMB-ZDUSSCGKSA-N 1 1 321.377 2.343 20 5 DEBDMO CC[C@@H]1CN(c2cc(C)ccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000610677499 361443478 /nfs/dbraw/zinc/44/34/78/361443478.db2.gz PRHLDJCXVBBDBX-ZIAGYGMSSA-N 1 1 307.394 2.185 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611087695 361524515 /nfs/dbraw/zinc/52/45/15/361524515.db2.gz DFLYUJDNCFWVCR-ZDUSSCGKSA-N 1 1 319.405 2.425 20 5 DEBDMO CC[N@H+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611087695 361524519 /nfs/dbraw/zinc/52/45/19/361524519.db2.gz DFLYUJDNCFWVCR-ZDUSSCGKSA-N 1 1 319.405 2.425 20 5 DEBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)N1CCCC1 ZINC000611253273 361561835 /nfs/dbraw/zinc/56/18/35/361561835.db2.gz RHEOXPJKGOZXOR-SOFGYWHQSA-N 1 1 303.362 2.162 20 5 DEBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)N1CCCC1 ZINC000611253273 361561837 /nfs/dbraw/zinc/56/18/37/361561837.db2.gz RHEOXPJKGOZXOR-SOFGYWHQSA-N 1 1 303.362 2.162 20 5 DEBDMO O=[N+]([O-])c1ccsc1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000611411642 361594201 /nfs/dbraw/zinc/59/42/01/361594201.db2.gz OUPDUBYAYBCDPG-LBPRGKRZSA-N 1 1 311.407 2.347 20 5 DEBDMO CSCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611560275 361631907 /nfs/dbraw/zinc/63/19/07/361631907.db2.gz KRXKIBASGGNZRO-ZDUSSCGKSA-N 1 1 306.391 2.370 20 5 DEBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC3(CCO3)CC1)OCCO2 ZINC000619727000 363867810 /nfs/dbraw/zinc/86/78/10/363867810.db2.gz ASENXRJJFIQLQJ-UHFFFAOYSA-N 1 1 320.345 2.121 20 5 DEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@H](C)O ZINC000245932030 202554314 /nfs/dbraw/zinc/55/43/14/202554314.db2.gz YTRVSEGVTVSHEW-VHSXEESVSA-N 1 1 306.322 2.018 20 5 DEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H](C)O ZINC000245932030 202554318 /nfs/dbraw/zinc/55/43/18/202554318.db2.gz YTRVSEGVTVSHEW-VHSXEESVSA-N 1 1 306.322 2.018 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)C2CCOCC2)ccc1Cl ZINC000275485848 212365186 /nfs/dbraw/zinc/36/51/86/212365186.db2.gz FKACSZIEOBVOPK-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000275442474 212334393 /nfs/dbraw/zinc/33/43/93/212334393.db2.gz KQXIXMNYCADWIJ-AWEZNQCLSA-N 1 1 321.377 2.016 20 5 DEBDMO CS[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000451329877 242853540 /nfs/dbraw/zinc/85/35/40/242853540.db2.gz YKJATWRBWBFGRA-CYBMUJFWSA-N 1 1 309.391 2.361 20 5 DEBDMO O=C(CC[N@H+]1CCO[C@@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000282660418 217159557 /nfs/dbraw/zinc/15/95/57/217159557.db2.gz LXXOADMZHBJJJU-HUUCEWRRSA-N 1 1 319.361 2.177 20 5 DEBDMO COC1(C)CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000271711096 209146797 /nfs/dbraw/zinc/14/67/97/209146797.db2.gz IZIXDFJWQQHLKW-GFCCVEGCSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282806769 217263647 /nfs/dbraw/zinc/26/36/47/217263647.db2.gz XOPRPXMCLCGJSB-CHWSQXEVSA-N 1 1 321.377 2.423 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000266229026 205200617 /nfs/dbraw/zinc/20/06/17/205200617.db2.gz TUPUXOAEACHGOQ-LLVKDONJSA-N 1 1 323.422 2.472 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492164207 249009664 /nfs/dbraw/zinc/00/96/64/249009664.db2.gz QIEOOBOUTXQRJX-HBZKEIKHSA-N 1 1 315.373 2.207 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493335376 249279606 /nfs/dbraw/zinc/27/96/06/249279606.db2.gz LEILRMRKTASKLL-IQCBXXCUSA-N 1 1 321.352 2.300 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493367666 249286064 /nfs/dbraw/zinc/28/60/64/249286064.db2.gz KWTDUERXHABDTC-SZNGSJQDSA-N 1 1 305.378 2.453 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CCO)CC1 ZINC000532552479 284705497 /nfs/dbraw/zinc/70/54/97/284705497.db2.gz QMZXZNFTUPNXIE-GFCCVEGCSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000105159734 194080212 /nfs/dbraw/zinc/08/02/12/194080212.db2.gz FLBYMIYQGXEJHA-NEPJUHHUSA-N 1 1 320.393 2.438 20 5 DEBDMO C[C@@H](NC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000105159745 194080845 /nfs/dbraw/zinc/08/08/45/194080845.db2.gz FLBYMIYQGXEJHA-VXGBXAGGSA-N 1 1 320.393 2.438 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000110732512 194355198 /nfs/dbraw/zinc/35/51/98/194355198.db2.gz IAZKMZTTZAFGKC-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000110732512 194355200 /nfs/dbraw/zinc/35/52/00/194355200.db2.gz IAZKMZTTZAFGKC-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000110996118 194379641 /nfs/dbraw/zinc/37/96/41/194379641.db2.gz SEXKULRSDVLEII-CYBMUJFWSA-N 1 1 321.377 2.208 20 5 DEBDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269219879 207339445 /nfs/dbraw/zinc/33/94/45/207339445.db2.gz ZXMYKBWHSKARIP-NEPJUHHUSA-N 1 1 321.377 2.151 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269219879 207339448 /nfs/dbraw/zinc/33/94/48/207339448.db2.gz ZXMYKBWHSKARIP-NEPJUHHUSA-N 1 1 321.377 2.151 20 5 DEBDMO CCC[C@H](C)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272890042 210279885 /nfs/dbraw/zinc/27/98/85/210279885.db2.gz AKGVXSVCBMHFRQ-LBPRGKRZSA-N 1 1 314.407 2.489 20 5 DEBDMO CCC[C@H](C)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272890042 210279888 /nfs/dbraw/zinc/27/98/88/210279888.db2.gz AKGVXSVCBMHFRQ-LBPRGKRZSA-N 1 1 314.407 2.489 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000368269315 285189133 /nfs/dbraw/zinc/18/91/33/285189133.db2.gz IAHASKPUTHATNT-BZUAXINKSA-N 1 1 322.409 2.197 20 5 DEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC000174739643 285190261 /nfs/dbraw/zinc/19/02/61/285190261.db2.gz MBRJOBJSAKYCSL-JKSUJKDBSA-N 1 1 322.409 2.197 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000154930390 197005931 /nfs/dbraw/zinc/00/59/31/197005931.db2.gz CMVVOPIXNTYFHW-JSGCOSHPSA-N 1 1 303.362 2.151 20 5 DEBDMO COc1ccc(OCC[N@H+]2[C@H](C)CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000122351060 195438706 /nfs/dbraw/zinc/43/87/06/195438706.db2.gz GZHGLGVAARIOQI-CHWSQXEVSA-N 1 1 324.377 2.218 20 5 DEBDMO CC(C)CC[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305078430 132604718 /nfs/dbraw/zinc/60/47/18/132604718.db2.gz LVACUZWUNUWYBB-GDBMZVCRSA-N 1 1 324.425 2.443 20 5 DEBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000341074639 132622174 /nfs/dbraw/zinc/62/21/74/132622174.db2.gz ZEPCXIPANJMDCE-DYEKYZERSA-N 1 1 320.393 2.438 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000351653127 132925626 /nfs/dbraw/zinc/92/56/26/132925626.db2.gz VOKPZRKLVWMOMO-GHMZBOCLSA-N 1 1 322.340 2.482 20 5 DEBDMO Cc1c(C(=O)NCC[N@@H+]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000355342483 133019114 /nfs/dbraw/zinc/01/91/14/133019114.db2.gz XXLFMVISXKHUHA-UHFFFAOYSA-N 1 1 303.362 2.285 20 5 DEBDMO CCCC[N@@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355615643 133037628 /nfs/dbraw/zinc/03/76/28/133037628.db2.gz YBFDEICARWZJRE-UHFFFAOYSA-N 1 1 310.350 2.379 20 5 DEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000355739551 133045086 /nfs/dbraw/zinc/04/50/86/133045086.db2.gz GHCHPVJOYXPKOD-LLVKDONJSA-N 1 1 308.334 2.131 20 5 DEBDMO Cc1c(CNC(=O)[C@H]2CCCc3[nH+]ccn32)cccc1[N+](=O)[O-] ZINC000356012864 133060214 /nfs/dbraw/zinc/06/02/14/133060214.db2.gz PHAMYTVQTYIEAD-CQSZACIVSA-N 1 1 314.345 2.294 20 5 DEBDMO CC1CCN(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000373299827 133385877 /nfs/dbraw/zinc/38/58/77/133385877.db2.gz PHWBZKOVBMEMTI-UHFFFAOYSA-N 1 1 321.425 2.160 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000246718288 145111692 /nfs/dbraw/zinc/11/16/92/145111692.db2.gz OAVHOHIDFASSCC-QWRGUYRKSA-N 1 1 309.391 2.213 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000318677006 145368965 /nfs/dbraw/zinc/36/89/65/145368965.db2.gz WUIZVLIRZCLZDT-LLVKDONJSA-N 1 1 308.382 2.097 20 5 DEBDMO COc1ccc(OCCN2CC[N@@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000357064898 147033230 /nfs/dbraw/zinc/03/32/30/147033230.db2.gz JTTIXMJVTDEVKV-QWHCGFSZSA-N 1 1 323.393 2.007 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000374453805 148249207 /nfs/dbraw/zinc/24/92/07/148249207.db2.gz DNSRMDXONYRPNP-AWEZNQCLSA-N 1 1 315.377 2.405 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000374453805 148249209 /nfs/dbraw/zinc/24/92/09/148249209.db2.gz DNSRMDXONYRPNP-AWEZNQCLSA-N 1 1 315.377 2.405 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375395532 148366671 /nfs/dbraw/zinc/36/66/71/148366671.db2.gz XJMGWPSVEGAGID-UHFFFAOYSA-N 1 1 314.345 2.366 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000112310436 401738406 /nfs/dbraw/zinc/73/84/06/401738406.db2.gz AMPHKMKSVJBPSS-MDZDMXLPSA-N 1 1 305.378 2.456 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000110609735 401691898 /nfs/dbraw/zinc/69/18/98/401691898.db2.gz HDJPIUOJTFKGPX-IZPAUZPXSA-N 1 1 321.352 2.348 20 5 DEBDMO CN(C)[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111249431 401703592 /nfs/dbraw/zinc/70/35/92/401703592.db2.gz JXYHNOVMWRCQTA-HNNXBMFYSA-N 1 1 307.394 2.390 20 5 DEBDMO CN(C)[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111249431 401703596 /nfs/dbraw/zinc/70/35/96/401703596.db2.gz JXYHNOVMWRCQTA-HNNXBMFYSA-N 1 1 307.394 2.390 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000111480045 401716808 /nfs/dbraw/zinc/71/68/08/401716808.db2.gz UPBFFUFURZMUBI-OAHLLOKOSA-N 1 1 320.393 2.268 20 5 DEBDMO COC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000112987616 401764169 /nfs/dbraw/zinc/76/41/69/401764169.db2.gz LNJQFOXVOOQBFX-STQMWFEESA-N 1 1 321.377 2.280 20 5 DEBDMO COc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000115438106 401827756 /nfs/dbraw/zinc/82/77/56/401827756.db2.gz QIMJONBYGAWCNX-GFCCVEGCSA-N 1 1 321.377 2.017 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000131509087 401851726 /nfs/dbraw/zinc/85/17/26/401851726.db2.gz VLZJURYYNDZPIG-LBPRGKRZSA-N 1 1 323.368 2.125 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000081363160 401895435 /nfs/dbraw/zinc/89/54/35/401895435.db2.gz RQZQJSWYIFERLL-LLVKDONJSA-N 1 1 311.407 2.460 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000081363159 401895528 /nfs/dbraw/zinc/89/55/28/401895528.db2.gz RQZQJSWYIFERLL-NSHDSACASA-N 1 1 311.407 2.460 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000120769029 402001240 /nfs/dbraw/zinc/00/12/40/402001240.db2.gz TXMSERFNHSNLAM-MFKMUULPSA-N 1 1 309.341 2.146 20 5 DEBDMO C[N@H+]1CC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000048552601 402002053 /nfs/dbraw/zinc/00/20/53/402002053.db2.gz VFGNSAMSPAFPOL-MRVPVSSYSA-N 1 1 315.171 2.116 20 5 DEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000064736549 402121365 /nfs/dbraw/zinc/12/13/65/402121365.db2.gz TXEFIYOWVYPUBJ-LLVKDONJSA-N 1 1 302.334 2.166 20 5 DEBDMO O=C(CC[N@H+]1CCOC2(CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000154282731 402203746 /nfs/dbraw/zinc/20/37/46/402203746.db2.gz NJAQBMCZNCQZAG-UHFFFAOYSA-N 1 1 319.361 2.178 20 5 DEBDMO CC(C)[N@@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000124698367 402192586 /nfs/dbraw/zinc/19/25/86/402192586.db2.gz FTNXCVNZBHHRMM-NHYWBVRUSA-N 1 1 323.368 2.121 20 5 DEBDMO COCC[N@H+](Cc1ccco1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153735680 402166781 /nfs/dbraw/zinc/16/67/81/402166781.db2.gz DXJJXENISGTOBQ-INIZCTEOSA-N 1 1 320.345 2.370 20 5 DEBDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000154980248 402240477 /nfs/dbraw/zinc/24/04/77/402240477.db2.gz LHVMMDJHYKLYMH-GJZGRUSLSA-N 1 1 320.437 2.190 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070074374 402256647 /nfs/dbraw/zinc/25/66/47/402256647.db2.gz GEKMKBWFVJIIKI-JTQLQIEISA-N 1 1 311.769 2.320 20 5 DEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCc2ccccc2C1 ZINC000176244892 402293917 /nfs/dbraw/zinc/29/39/17/402293917.db2.gz KHSBURWOEUVGIT-OAHLLOKOSA-N 1 1 300.362 2.281 20 5 DEBDMO CCOc1ccccc1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176245263 402294004 /nfs/dbraw/zinc/29/40/04/402294004.db2.gz LWPNGLGWGQUYQD-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO CCOC[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000176307018 402298591 /nfs/dbraw/zinc/29/85/91/402298591.db2.gz RKDCRMAIBRRHAX-ZDUSSCGKSA-N 1 1 324.377 2.341 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CCn1cc(Br)c([N+](=O)[O-])n1 ZINC000234372650 402359769 /nfs/dbraw/zinc/35/97/69/402359769.db2.gz PHYLISGRLGYIJP-VIFPVBQESA-N 1 1 317.187 2.428 20 5 DEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000177374002 402395394 /nfs/dbraw/zinc/39/53/94/402395394.db2.gz COARJETTZWYEPK-UHFFFAOYSA-N 1 1 320.437 2.053 20 5 DEBDMO C[C@H]1CN(C)c2ccccc2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000177392716 402397454 /nfs/dbraw/zinc/39/74/54/402397454.db2.gz IXELTABLCYGUQZ-ZDUSSCGKSA-N 1 1 315.377 2.132 20 5 DEBDMO COC(=O)[C@@]1(C)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000177474514 402406773 /nfs/dbraw/zinc/40/67/73/402406773.db2.gz CQBWSGYSPUJOCE-INIZCTEOSA-N 1 1 322.361 2.249 20 5 DEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@H]1O ZINC000245526855 402468454 /nfs/dbraw/zinc/46/84/54/402468454.db2.gz ATYBVBVNIDXPLO-XJKSGUPXSA-N 1 1 308.378 2.457 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000245577887 402472179 /nfs/dbraw/zinc/47/21/79/402472179.db2.gz GZKAOEMVBIRWFP-ZIAGYGMSSA-N 1 1 323.418 2.117 20 5 DEBDMO C[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000171281242 402573960 /nfs/dbraw/zinc/57/39/60/402573960.db2.gz KBVCZIRUYXJREC-XQQFMLRXSA-N 1 1 305.378 2.472 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248343827 402586704 /nfs/dbraw/zinc/58/67/04/402586704.db2.gz KTXIRQGDFKVBTK-MNOVXSKESA-N 1 1 307.350 2.272 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000248343827 402586705 /nfs/dbraw/zinc/58/67/05/402586705.db2.gz KTXIRQGDFKVBTK-MNOVXSKESA-N 1 1 307.350 2.272 20 5 DEBDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000181493254 402647385 /nfs/dbraw/zinc/64/73/85/402647385.db2.gz ZALKSDFTUFXBAM-JTQLQIEISA-N 1 1 315.329 2.250 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255756886 402695863 /nfs/dbraw/zinc/69/58/63/402695863.db2.gz SECFTJZELSTKAP-YFHOEESVSA-N 1 1 305.378 2.456 20 5 DEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccco1 ZINC000192707616 402745097 /nfs/dbraw/zinc/74/50/97/402745097.db2.gz BZRWPMVZCSUTOR-CQSZACIVSA-N 1 1 320.345 2.197 20 5 DEBDMO COCCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272478434 402941881 /nfs/dbraw/zinc/94/18/81/402941881.db2.gz BNXMHZBERZWGBW-CQSZACIVSA-N 1 1 304.350 2.044 20 5 DEBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000272542580 402951123 /nfs/dbraw/zinc/95/11/23/402951123.db2.gz OBPNWNPXNYHQPL-ZDUSSCGKSA-N 1 1 319.361 2.001 20 5 DEBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272593911 402956909 /nfs/dbraw/zinc/95/69/09/402956909.db2.gz PTSBVULYFZBQCP-AAEUAGOBSA-N 1 1 317.345 2.453 20 5 DEBDMO COc1cc(NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000280336208 402989298 /nfs/dbraw/zinc/98/92/98/402989298.db2.gz VGOVCCIOVFSEDK-UHFFFAOYSA-N 1 1 307.350 2.286 20 5 DEBDMO O=C(NCC[N@H+]1CC=CCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000280361822 402991997 /nfs/dbraw/zinc/99/19/97/402991997.db2.gz TYYJRFDSPBRALD-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000280361822 402992000 /nfs/dbraw/zinc/99/20/00/402992000.db2.gz TYYJRFDSPBRALD-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO C[C@H](CNc1ncc([N+](=O)[O-])cn1)[N@H+]1CCc2sccc2C1 ZINC000273602618 403018960 /nfs/dbraw/zinc/01/89/60/403018960.db2.gz JUCGBEYTRXMRHL-SNVBAGLBSA-N 1 1 319.390 2.305 20 5 DEBDMO Cc1c(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280269972 402981948 /nfs/dbraw/zinc/98/19/48/402981948.db2.gz CREZWDGWDDEINK-MLGOLLRUSA-N 1 1 306.362 2.283 20 5 DEBDMO Cc1c(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280269972 402981950 /nfs/dbraw/zinc/98/19/50/402981950.db2.gz CREZWDGWDDEINK-MLGOLLRUSA-N 1 1 306.362 2.283 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1CCCCO1 ZINC000266687783 402983610 /nfs/dbraw/zinc/98/36/10/402983610.db2.gz CTKCWWIBAJDULW-IUODEOHRSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000266687783 402983612 /nfs/dbraw/zinc/98/36/12/402983612.db2.gz CTKCWWIBAJDULW-IUODEOHRSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCO1 ZINC000281299102 403062736 /nfs/dbraw/zinc/06/27/36/403062736.db2.gz PORKQWFYMBADJZ-OAHLLOKOSA-N 1 1 322.361 2.462 20 5 DEBDMO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCO1 ZINC000281299102 403062739 /nfs/dbraw/zinc/06/27/39/403062739.db2.gz PORKQWFYMBADJZ-OAHLLOKOSA-N 1 1 322.361 2.462 20 5 DEBDMO CCC(=O)c1ccc(N[C@H]2CC[N@H+](CCOC)C2)c([N+](=O)[O-])c1 ZINC000280731078 403031571 /nfs/dbraw/zinc/03/15/71/403031571.db2.gz NFRIMRSAXSVNNE-ZDUSSCGKSA-N 1 1 321.377 2.320 20 5 DEBDMO CCC(=O)c1ccc(N[C@H]2CC[N@@H+](CCOC)C2)c([N+](=O)[O-])c1 ZINC000280731078 403031573 /nfs/dbraw/zinc/03/15/73/403031573.db2.gz NFRIMRSAXSVNNE-ZDUSSCGKSA-N 1 1 321.377 2.320 20 5 DEBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CC(C)(C)O ZINC000275568530 403106464 /nfs/dbraw/zinc/10/64/64/403106464.db2.gz PDAUHRVTUARRFV-NSHDSACASA-N 1 1 311.357 2.015 20 5 DEBDMO COc1cc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000276101919 403145703 /nfs/dbraw/zinc/14/57/03/403145703.db2.gz YZXYICINRUIBRS-OAHLLOKOSA-N 1 1 324.377 2.205 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000276101919 403145705 /nfs/dbraw/zinc/14/57/05/403145705.db2.gz YZXYICINRUIBRS-OAHLLOKOSA-N 1 1 324.377 2.205 20 5 DEBDMO Cc1cccc2c1C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000277406367 403214497 /nfs/dbraw/zinc/21/44/97/403214497.db2.gz ZUFXVPUPCRYYOY-UHFFFAOYSA-N 1 1 313.357 2.123 20 5 DEBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000283932558 403233293 /nfs/dbraw/zinc/23/32/93/403233293.db2.gz CSKZIVHUHHXVSV-UHFFFAOYSA-N 1 1 323.349 2.486 20 5 DEBDMO CCOCC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000277607292 403236204 /nfs/dbraw/zinc/23/62/04/403236204.db2.gz FOGAFFBRVZDQPQ-INIZCTEOSA-N 1 1 308.378 2.347 20 5 DEBDMO C[C@H](O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283396305 403194526 /nfs/dbraw/zinc/19/45/26/403194526.db2.gz UVGRQXCSAFEXPB-GXTWGEPZSA-N 1 1 321.377 2.159 20 5 DEBDMO CCC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000270960335 403245540 /nfs/dbraw/zinc/24/55/40/403245540.db2.gz NXBKZHKLFIUEDR-CQSZACIVSA-N 1 1 322.409 2.235 20 5 DEBDMO CN1CCO[C@@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284297043 403260700 /nfs/dbraw/zinc/26/07/00/403260700.db2.gz INKQKTXTLFLVHK-TZNLOLHFSA-N 1 1 317.389 2.013 20 5 DEBDMO CC(=O)c1cc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000284946116 403273369 /nfs/dbraw/zinc/27/33/69/403273369.db2.gz JOSIUBSEEFSNOR-WBMJQRKESA-N 1 1 303.362 2.328 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000292308657 403350666 /nfs/dbraw/zinc/35/06/66/403350666.db2.gz DOZMVLJSLIODND-JSGCOSHPSA-N 1 1 321.377 2.077 20 5 DEBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1(CO)CC1 ZINC000285577666 403331842 /nfs/dbraw/zinc/33/18/42/403331842.db2.gz SZKNOQVODMYQBX-UHFFFAOYSA-N 1 1 317.345 2.249 20 5 DEBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000331119113 403333183 /nfs/dbraw/zinc/33/31/83/403333183.db2.gz FSTLKJQCWNHTBP-AWEZNQCLSA-N 1 1 321.377 2.016 20 5 DEBDMO Cc1c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292265979 403338481 /nfs/dbraw/zinc/33/84/81/403338481.db2.gz PWMNGTIFNDDSFM-MRXNPFEDSA-N 1 1 303.362 2.071 20 5 DEBDMO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000339216349 403374583 /nfs/dbraw/zinc/37/45/83/403374583.db2.gz VYRKZYGQTPWKLJ-IGCXYCKISA-N 1 1 319.405 2.463 20 5 DEBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000339216349 403374587 /nfs/dbraw/zinc/37/45/87/403374587.db2.gz VYRKZYGQTPWKLJ-IGCXYCKISA-N 1 1 319.405 2.463 20 5 DEBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285780511 403378548 /nfs/dbraw/zinc/37/85/48/403378548.db2.gz DXHWAJXJFNNXHL-JSGCOSHPSA-N 1 1 323.368 2.029 20 5 DEBDMO CC(=O)c1cc(N[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000343012841 403429209 /nfs/dbraw/zinc/42/92/09/403429209.db2.gz GYKKWQHDXNEJFV-LBPRGKRZSA-N 1 1 300.318 2.421 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000286445254 403528379 /nfs/dbraw/zinc/52/83/79/403528379.db2.gz MRQWNLCAQUJAFO-CYBMUJFWSA-N 1 1 323.368 2.283 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000345919104 403532429 /nfs/dbraw/zinc/53/24/29/403532429.db2.gz LVZGTNMBYZHTOZ-NEPJUHHUSA-N 1 1 323.368 2.218 20 5 DEBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCOc4cccc([N+](=O)[O-])c4)[C@H]1[C@H]3C2 ZINC000286661970 403538010 /nfs/dbraw/zinc/53/80/10/403538010.db2.gz UQBNXYIOEZLEDZ-QPSXIRMHSA-N 1 1 318.373 2.329 20 5 DEBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCCC[C@@H]1O ZINC000332358937 403559719 /nfs/dbraw/zinc/55/97/19/403559719.db2.gz WLFFKVQCBHSIAD-NHYWBVRUSA-N 1 1 318.377 2.454 20 5 DEBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCCCO1 ZINC000332372073 403563685 /nfs/dbraw/zinc/56/36/85/403563685.db2.gz SJHWUYRREUUMRP-GFCCVEGCSA-N 1 1 304.350 2.472 20 5 DEBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCCCO1 ZINC000332372073 403563686 /nfs/dbraw/zinc/56/36/86/403563686.db2.gz SJHWUYRREUUMRP-GFCCVEGCSA-N 1 1 304.350 2.472 20 5 DEBDMO Cc1ccnc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000301309669 403614496 /nfs/dbraw/zinc/61/44/96/403614496.db2.gz XWBUQZNVVAZNKG-CYBMUJFWSA-N 1 1 308.382 2.067 20 5 DEBDMO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293993718 403618688 /nfs/dbraw/zinc/61/86/88/403618688.db2.gz ODHAIAQTBMHLPH-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293993718 403618691 /nfs/dbraw/zinc/61/86/91/403618691.db2.gz ODHAIAQTBMHLPH-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO Cc1c(NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000294093179 403645790 /nfs/dbraw/zinc/64/57/90/403645790.db2.gz BUGDJZSPWFRFQO-PHIMTYICSA-N 1 1 306.366 2.460 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000343626104 403667772 /nfs/dbraw/zinc/66/77/72/403667772.db2.gz XVXNEMQKNUUQDF-ZDUSSCGKSA-N 1 1 309.341 2.338 20 5 DEBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000301715990 403669283 /nfs/dbraw/zinc/66/92/83/403669283.db2.gz MVXXIZUDSPHXEQ-GFCCVEGCSA-N 1 1 301.350 2.182 20 5 DEBDMO CNC(=O)N[C@@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347363079 403680801 /nfs/dbraw/zinc/68/08/01/403680801.db2.gz AQFDILSXGJGRHB-CEFACKQISA-N 1 1 318.377 2.001 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000347371733 403684488 /nfs/dbraw/zinc/68/44/88/403684488.db2.gz PGGBQRDUEDRFCR-OVHOFWQVSA-N 1 1 315.373 2.305 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000347371733 403684491 /nfs/dbraw/zinc/68/44/91/403684491.db2.gz PGGBQRDUEDRFCR-OVHOFWQVSA-N 1 1 315.373 2.305 20 5 DEBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)C(C)(C)O)c([N+](=O)[O-])c1 ZINC000295141611 403772123 /nfs/dbraw/zinc/77/21/23/403772123.db2.gz LAYZPDQSODNUIW-NSHDSACASA-N 1 1 312.366 2.073 20 5 DEBDMO CC(C)CC[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305078431 403823189 /nfs/dbraw/zinc/82/31/89/403823189.db2.gz LVACUZWUNUWYBB-GOEBONIOSA-N 1 1 324.425 2.443 20 5 DEBDMO CC(C)Oc1cc(C(=O)NCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000411610982 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DEBDMO COC[C@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000451925605 405095870 /nfs/dbraw/zinc/09/58/70/405095870.db2.gz LBFJUMWRPNUDJM-CQSZACIVSA-N 1 1 314.769 2.079 20 5 DEBDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000451925605 405095874 /nfs/dbraw/zinc/09/58/74/405095874.db2.gz LBFJUMWRPNUDJM-CQSZACIVSA-N 1 1 314.769 2.079 20 5 DEBDMO Cc1c(NC(=O)CCN[C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000424333267 405070370 /nfs/dbraw/zinc/07/03/70/405070370.db2.gz MBHBXZWRTQWWJG-TZMCWYRMSA-N 1 1 320.393 2.091 20 5 DEBDMO Cc1c(NC(=O)CC[NH2+][C@@H]2CCCC[C@H]2N)cccc1[N+](=O)[O-] ZINC000424333267 405070372 /nfs/dbraw/zinc/07/03/72/405070372.db2.gz MBHBXZWRTQWWJG-TZMCWYRMSA-N 1 1 320.393 2.091 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000408091941 405110055 /nfs/dbraw/zinc/11/00/55/405110055.db2.gz YEVWUZPYBFCZOO-WDEREUQCSA-N 1 1 316.361 2.241 20 5 DEBDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCC2 ZINC000453046649 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Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000421797855 405651091 /nfs/dbraw/zinc/65/10/91/405651091.db2.gz VXWMJPQCRFXQMO-OLZOCXBDSA-N 1 1 305.378 2.376 20 5 DEBDMO CNc1c(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457093341 405696001 /nfs/dbraw/zinc/69/60/01/405696001.db2.gz NZGBUHRQDSSERS-GFCCVEGCSA-N 1 1 320.393 2.191 20 5 DEBDMO C[N@@H+](CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000457173267 405736290 /nfs/dbraw/zinc/73/62/90/405736290.db2.gz KNCJCCUDTXOVMS-UHFFFAOYSA-N 1 1 305.378 2.128 20 5 DEBDMO C[C@H]1COCC[N@@H+]1CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450318644 405831399 /nfs/dbraw/zinc/83/13/99/405831399.db2.gz WPOWOAMCIBIIPC-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H]1COCC[N@H+]1CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450318644 405831404 /nfs/dbraw/zinc/83/14/04/405831404.db2.gz WPOWOAMCIBIIPC-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO CC[C@@H]1OCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000459816573 406057163 /nfs/dbraw/zinc/05/71/63/406057163.db2.gz ZDANZAOTWRXKJF-OLZOCXBDSA-N 1 1 318.333 2.302 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C(C)C)C1COC1 ZINC000451121443 406057819 /nfs/dbraw/zinc/05/78/19/406057819.db2.gz RKPLDWDLZKCRKZ-UHFFFAOYSA-N 1 1 321.377 2.341 20 5 DEBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000487136159 406207748 /nfs/dbraw/zinc/20/77/48/406207748.db2.gz KJCGHLHPZOCPRW-BXKDBHETSA-N 1 1 311.769 2.062 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C ZINC000487604094 406250956 /nfs/dbraw/zinc/25/09/56/406250956.db2.gz KBMPMPPIAIPZNG-NEPJUHHUSA-N 1 1 320.393 2.122 20 5 DEBDMO C[C@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000569684568 406289281 /nfs/dbraw/zinc/28/92/81/406289281.db2.gz WSSSOXBXZTWFIT-SWLSCSKDSA-N 1 1 305.378 2.251 20 5 DEBDMO C[C@@H]1[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000488130592 406296793 /nfs/dbraw/zinc/29/67/93/406296793.db2.gz SSBWJYGSBCNVEA-YPMHNXCESA-N 1 1 300.362 2.460 20 5 DEBDMO CCC1CCC([N@@H+](CCO)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000488185387 406300161 /nfs/dbraw/zinc/30/01/61/406300161.db2.gz KFTCMNSTBVPZFD-UHFFFAOYSA-N 1 1 310.398 2.054 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@]1(C)CO ZINC000546810254 406382220 /nfs/dbraw/zinc/38/22/20/406382220.db2.gz WMCAEENUGVUPDO-INIZCTEOSA-N 1 1 321.377 2.079 20 5 DEBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCO[C@H]1C ZINC000489466814 406409371 /nfs/dbraw/zinc/40/93/71/406409371.db2.gz ZFHYQHPJKVBGMF-XHDPSFHLSA-N 1 1 312.341 2.360 20 5 DEBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCO[C@H]1C ZINC000489466814 406409374 /nfs/dbraw/zinc/40/93/74/406409374.db2.gz ZFHYQHPJKVBGMF-XHDPSFHLSA-N 1 1 312.341 2.360 20 5 DEBDMO CC(=O)NCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000570572067 406411069 /nfs/dbraw/zinc/41/10/69/406411069.db2.gz XEWYTNKMOCDKDH-UHFFFAOYSA-N 1 1 317.345 2.423 20 5 DEBDMO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000548754302 406549944 /nfs/dbraw/zinc/54/99/44/406549944.db2.gz SRJOLKDHDUCCQV-LRDDRELGSA-N 1 1 306.362 2.473 20 5 DEBDMO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000548754302 406549949 /nfs/dbraw/zinc/54/99/49/406549949.db2.gz SRJOLKDHDUCCQV-LRDDRELGSA-N 1 1 306.362 2.473 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000525803839 406503209 /nfs/dbraw/zinc/50/32/09/406503209.db2.gz SLUYKLYTLSWUIY-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491531326 406613048 /nfs/dbraw/zinc/61/30/48/406613048.db2.gz GFXMSJXDHRPDKT-LMVHVUTASA-N 1 1 303.362 2.018 20 5 DEBDMO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491564431 406624387 /nfs/dbraw/zinc/62/43/87/406624387.db2.gz WZKQJJQSTSQTNM-IUAZIXFQSA-N 1 1 319.336 2.100 20 5 DEBDMO O=C(Cn1c[nH+]c2c1CCCC2)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000527180526 406592338 /nfs/dbraw/zinc/59/23/38/406592338.db2.gz AVXAQDICRBPTSV-UHFFFAOYSA-N 1 1 318.308 2.448 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(=N[C@@H]3CC[N@H+](C4CCCC4)C3)[nH]c2c1 ZINC000572472045 406673121 /nfs/dbraw/zinc/67/31/21/406673121.db2.gz QVHIGJXWSCCCEC-LLVKDONJSA-N 1 1 315.377 2.322 20 5 DEBDMO CCc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000552419197 406709116 /nfs/dbraw/zinc/70/91/16/406709116.db2.gz FCQSKUOYHABDMG-LSDHHAIUSA-N 1 1 317.389 2.466 20 5 DEBDMO C[N@@H+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000555529333 406846703 /nfs/dbraw/zinc/84/67/03/406846703.db2.gz BCZXZLJZWVJJDV-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000555529333 406846705 /nfs/dbraw/zinc/84/67/05/406846705.db2.gz BCZXZLJZWVJJDV-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000129066970 196016528 /nfs/dbraw/zinc/01/65/28/196016528.db2.gz LRJYVMRZMBKZBA-RISCZKNCSA-N 1 1 321.352 2.290 20 5 DEBDMO CC[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)C(N)=O ZINC000133275097 196327327 /nfs/dbraw/zinc/32/73/27/196327327.db2.gz KXRDPVUHNDMHRN-OAHLLOKOSA-N 1 1 309.366 2.126 20 5 DEBDMO C[C@H]1CSCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411298472 227381663 /nfs/dbraw/zinc/38/16/63/227381663.db2.gz VGCYISGLNJKOOG-NSHDSACASA-N 1 1 309.391 2.361 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000291069760 222114877 /nfs/dbraw/zinc/11/48/77/222114877.db2.gz GYAIFRPWYJFMPB-GFCCVEGCSA-N 1 1 322.409 2.487 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](C)OC ZINC000291192850 222210269 /nfs/dbraw/zinc/21/02/69/222210269.db2.gz IZOMOCYOVCBCFS-LBPRGKRZSA-N 1 1 309.366 2.280 20 5 DEBDMO Cn1c2ccccc2[nH+]c1NCCNc1ccccc1[N+](=O)[O-] ZINC000342707156 424965630 /nfs/dbraw/zinc/96/56/30/424965630.db2.gz VXNGAPKRQPKNGN-UHFFFAOYSA-N 1 1 311.345 3.006 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596076625 425017097 /nfs/dbraw/zinc/01/70/97/425017097.db2.gz IMAUUTISARTNJR-BETUJISGSA-N 1 1 321.425 2.742 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450212768 425064727 /nfs/dbraw/zinc/06/47/27/425064727.db2.gz CUNVUCGWWNGGEU-CQSZACIVSA-N 1 1 300.362 3.039 20 5 DEBDMO CC(C)Oc1nc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000594566131 425013293 /nfs/dbraw/zinc/01/32/93/425013293.db2.gz AWPAWFFTCOLKQL-VXGBXAGGSA-N 1 1 320.393 2.814 20 5 DEBDMO CN(C)C(=O)O[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000496573630 269231794 /nfs/dbraw/zinc/23/17/94/269231794.db2.gz SMZGISQIMZVCFG-VSKVDJIOSA-N 1 1 319.361 2.381 20 5 DEBDMO CN(C)C(=O)O[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000496573630 269231795 /nfs/dbraw/zinc/23/17/95/269231795.db2.gz SMZGISQIMZVCFG-VSKVDJIOSA-N 1 1 319.361 2.381 20 5 DEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@@H+](C)C[C@@H]1C ZINC000450332182 274140263 /nfs/dbraw/zinc/14/02/63/274140263.db2.gz WXJRBXSQZBWMPX-NSHDSACASA-N 1 1 316.361 2.292 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CCOC(C)C)CC1 ZINC000301418564 274796777 /nfs/dbraw/zinc/79/67/77/274796777.db2.gz CVWIPFGRGODNGE-UHFFFAOYSA-N 1 1 307.394 2.450 20 5 DEBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000339356493 274897852 /nfs/dbraw/zinc/89/78/52/274897852.db2.gz IBHOIUJBAFJRRN-SECBINFHSA-N 1 1 307.741 2.371 20 5 DEBDMO C[N@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000286368513 277115307 /nfs/dbraw/zinc/11/53/07/277115307.db2.gz CVJAKJPHDNKNSA-OAHLLOKOSA-N 1 1 312.373 2.353 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272370784 277174856 /nfs/dbraw/zinc/17/48/56/277174856.db2.gz GOPVWHLRLWCAEX-SMDDNHRTSA-N 1 1 304.350 2.153 20 5 DEBDMO CC(=O)c1ccc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000272214062 278247629 /nfs/dbraw/zinc/24/76/29/278247629.db2.gz QTDVFKJCMYGAIO-BLLLJJGKSA-N 1 1 303.362 2.328 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248404302 278259602 /nfs/dbraw/zinc/25/96/02/278259602.db2.gz PYJLVWFERBPLAJ-RYUDHWBXSA-N 1 1 321.381 2.232 20 5 DEBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000274172025 278425974 /nfs/dbraw/zinc/42/59/74/278425974.db2.gz MWACEDRPWGECDH-NSHDSACASA-N 1 1 319.390 2.330 20 5 DEBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000274212342 279619214 /nfs/dbraw/zinc/61/92/14/279619214.db2.gz WVRZMKZUAQTQGT-LLVKDONJSA-N 1 1 321.406 2.273 20 5 DEBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408091878 280110731 /nfs/dbraw/zinc/11/07/31/280110731.db2.gz XSXJPMTXNGQXOI-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408091878 280110734 /nfs/dbraw/zinc/11/07/34/280110734.db2.gz XSXJPMTXNGQXOI-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000356873798 280110827 /nfs/dbraw/zinc/11/08/27/280110827.db2.gz KMUOTAPKXNSPBQ-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000356873798 280110829 /nfs/dbraw/zinc/11/08/29/280110829.db2.gz KMUOTAPKXNSPBQ-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCN1CCOCC1 ZINC000182744017 281020393 /nfs/dbraw/zinc/02/03/93/281020393.db2.gz BSADPWOOEHFNLQ-AWEZNQCLSA-N 1 1 307.394 2.228 20 5 DEBDMO Cc1cccc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000275436739 281228121 /nfs/dbraw/zinc/22/81/21/281228121.db2.gz JMDYOSKWDQCLAP-CYBMUJFWSA-N 1 1 307.394 2.185 20 5 DEBDMO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000420613976 295189969 /nfs/dbraw/zinc/18/99/69/295189969.db2.gz UZNMSYFEOFYCHB-LBPRGKRZSA-N 1 1 318.377 2.123 20 5 DEBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486907382 300223784 /nfs/dbraw/zinc/22/37/84/300223784.db2.gz FVUISBGWSYTBNO-BLLLJJGKSA-N 1 1 317.389 2.284 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000160415158 301853266 /nfs/dbraw/zinc/85/32/66/301853266.db2.gz OBNJFDZCVWRPDH-AWEZNQCLSA-N 1 1 305.378 2.204 20 5 DEBDMO CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001349865446 1151300762 /nfs/dbraw/zinc/30/07/62/1151300762.db2.gz VUKJQTRWLHTKCN-ZDUSSCGKSA-N 1 1 321.377 2.208 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000574427579 326154684 /nfs/dbraw/zinc/15/46/84/326154684.db2.gz ADIMFXSGIMMIQP-LLVKDONJSA-N 1 1 316.361 2.242 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000584311919 332289848 /nfs/dbraw/zinc/28/98/48/332289848.db2.gz ZQYBKMORWYRJPU-OCCSQVGLSA-N 1 1 305.378 2.251 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000584311919 332289850 /nfs/dbraw/zinc/28/98/50/332289850.db2.gz ZQYBKMORWYRJPU-OCCSQVGLSA-N 1 1 305.378 2.251 20 5 DEBDMO C[C@H](C[NH+]1CCOCC1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413070310 534066896 /nfs/dbraw/zinc/06/68/96/534066896.db2.gz YPLNWYHAGQYOII-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO CO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246175234 523603500 /nfs/dbraw/zinc/60/35/00/523603500.db2.gz YOIPRJUVSOPFJK-SMDDNHRTSA-N 1 1 307.350 2.033 20 5 DEBDMO CO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246175234 523603509 /nfs/dbraw/zinc/60/35/09/523603509.db2.gz YOIPRJUVSOPFJK-SMDDNHRTSA-N 1 1 307.350 2.033 20 5 DEBDMO Cc1ccc(NCCCNC(=O)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000129202637 525275808 /nfs/dbraw/zinc/27/58/08/525275808.db2.gz ONYZKRPRVBYXPA-UHFFFAOYSA-N 1 1 322.409 2.162 20 5 DEBDMO C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249757845 526079494 /nfs/dbraw/zinc/07/94/94/526079494.db2.gz VMRMHBZOWLMVOG-FRRDWIJNSA-N 1 1 305.378 2.472 20 5 DEBDMO C[N@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000358308410 536482269 /nfs/dbraw/zinc/48/22/69/536482269.db2.gz OULKOXPRZAAUMD-LBPRGKRZSA-N 1 1 319.283 2.092 20 5 DEBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000364834322 527272509 /nfs/dbraw/zinc/27/25/09/527272509.db2.gz PBTSNOUFZQBEJD-AWEZNQCLSA-N 1 1 317.389 2.270 20 5 DEBDMO CC(=O)c1ccc(N[C@@H]2CCC[N@@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000294864825 527317937 /nfs/dbraw/zinc/31/79/37/527317937.db2.gz CPVPCRLSJLVSFR-CQSZACIVSA-N 1 1 321.377 2.056 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192673176 527977963 /nfs/dbraw/zinc/97/79/63/527977963.db2.gz WYEXBJZZVKUXIW-UHFFFAOYSA-N 1 1 309.366 2.065 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000428511610 527993930 /nfs/dbraw/zinc/99/39/30/527993930.db2.gz SINTWEFAFFRHEX-ZDUSSCGKSA-N 1 1 322.409 2.243 20 5 DEBDMO CCOCC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000444661487 528866210 /nfs/dbraw/zinc/86/62/10/528866210.db2.gz LHERICRHBIIELI-HNNXBMFYSA-N 1 1 308.378 2.347 20 5 DEBDMO CC(C)[N@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444604953 529010315 /nfs/dbraw/zinc/01/03/15/529010315.db2.gz CHNDOHVODVGBNP-UHFFFAOYSA-N 1 1 317.393 2.387 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000299390797 529024792 /nfs/dbraw/zinc/02/47/92/529024792.db2.gz RFIIONBTZLDMCV-CYBMUJFWSA-N 1 1 305.378 2.445 20 5 DEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000411049931 529288873 /nfs/dbraw/zinc/28/88/73/529288873.db2.gz FUMWBQIJMOLFJX-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000411049931 529288878 /nfs/dbraw/zinc/28/88/78/529288878.db2.gz FUMWBQIJMOLFJX-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CC[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2COC)CCO1 ZINC000362661455 536150476 /nfs/dbraw/zinc/15/04/76/536150476.db2.gz DZQXKDKZSCAVHJ-HNNXBMFYSA-N 1 1 323.393 2.264 20 5 DEBDMO CC[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2COC)CCO1 ZINC000362661455 536150483 /nfs/dbraw/zinc/15/04/83/536150483.db2.gz DZQXKDKZSCAVHJ-HNNXBMFYSA-N 1 1 323.393 2.264 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000374873189 536462914 /nfs/dbraw/zinc/46/29/14/536462914.db2.gz GYKGNHYTSIHZBY-YGRLFVJLSA-N 1 1 323.780 2.414 20 5 DEBDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000451560741 536685259 /nfs/dbraw/zinc/68/52/59/536685259.db2.gz IGWXUUVVJRRCDE-IUODEOHRSA-N 1 1 321.377 2.199 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000451560741 536685264 /nfs/dbraw/zinc/68/52/64/536685264.db2.gz IGWXUUVVJRRCDE-IUODEOHRSA-N 1 1 321.377 2.199 20 5 DEBDMO COc1cc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000246809873 536748228 /nfs/dbraw/zinc/74/82/28/536748228.db2.gz RAMRGGPTMNCOLY-BXUZGUMPSA-N 1 1 324.377 2.205 20 5 DEBDMO O=C1[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]2CCCCN12 ZINC000835073789 649875553 /nfs/dbraw/zinc/87/55/53/649875553.db2.gz PKPSHVLZAHKCTJ-BXUZGUMPSA-N 1 1 323.780 2.491 20 5 DEBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327602191 1148596318 /nfs/dbraw/zinc/59/63/18/1148596318.db2.gz YJQWDZVVLZKBLP-LBPRGKRZSA-N 1 1 320.393 2.349 20 5 DEBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000246959912 623148454 /nfs/dbraw/zinc/14/84/54/623148454.db2.gz GECDYMGJQYDMGX-GJZGRUSLSA-N 1 1 321.425 2.335 20 5 DEBDMO Cc1cc(F)cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000176199808 624703874 /nfs/dbraw/zinc/70/38/74/624703874.db2.gz ADPDHQLYKTZPTB-LLVKDONJSA-N 1 1 321.352 2.256 20 5 DEBDMO COc1c(O)ccc(C[NH2+][C@@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000892554120 625145344 /nfs/dbraw/zinc/14/53/44/625145344.db2.gz YGWHICJPGICOSR-LBPRGKRZSA-N 1 1 323.393 2.273 20 5 DEBDMO COc1c(O)ccc(C[NH2+]CCN2CCCCCC2)c1[N+](=O)[O-] ZINC000892509384 625951267 /nfs/dbraw/zinc/95/12/67/625951267.db2.gz ATCQBMGWXMGQRA-UHFFFAOYSA-N 1 1 323.393 2.275 20 5 DEBDMO CC(C)(CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000735832438 633540192 /nfs/dbraw/zinc/54/01/92/633540192.db2.gz HFFDSCJAYMVJSF-UHFFFAOYSA-N 1 1 313.785 2.141 20 5 DEBDMO O=C(NCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001000346165 635151907 /nfs/dbraw/zinc/15/19/07/635151907.db2.gz SBTUSMOWFBEIIH-UHFFFAOYSA-N 1 1 315.373 2.253 20 5 DEBDMO O=C(NCC1=CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001000346165 635151915 /nfs/dbraw/zinc/15/19/15/635151915.db2.gz SBTUSMOWFBEIIH-UHFFFAOYSA-N 1 1 315.373 2.253 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000178580107 635943227 /nfs/dbraw/zinc/94/32/27/635943227.db2.gz UXPZKHOFWBTNBR-KBPBESRZSA-N 1 1 312.366 2.440 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000178580107 635943230 /nfs/dbraw/zinc/94/32/30/635943230.db2.gz UXPZKHOFWBTNBR-KBPBESRZSA-N 1 1 312.366 2.440 20 5 DEBDMO CCc1[nH]nc(C(=O)OC[C@H]2CCCC[N@H+]2C(C)C)c1[N+](=O)[O-] ZINC000837656667 650240455 /nfs/dbraw/zinc/24/04/55/650240455.db2.gz HGMIXORLNBZGHA-LLVKDONJSA-N 1 1 324.381 2.300 20 5 DEBDMO CCN1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000922640212 636295650 /nfs/dbraw/zinc/29/56/50/636295650.db2.gz QXWWJYZYJAMNHO-CYBMUJFWSA-N 1 1 311.769 2.349 20 5 DEBDMO C[C@@H]1[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928435421 637228831 /nfs/dbraw/zinc/22/88/31/637228831.db2.gz RWYYDNBMNCQMNV-YPMHNXCESA-N 1 1 305.378 2.081 20 5 DEBDMO C[NH+](C)CC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000738076817 637388751 /nfs/dbraw/zinc/38/87/51/637388751.db2.gz NQISHNBTYXRNTN-UHFFFAOYSA-N 1 1 317.393 2.176 20 5 DEBDMO CCCN(Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000895102588 637561498 /nfs/dbraw/zinc/56/14/98/637561498.db2.gz YAUWYPUDXDLXMF-CYBMUJFWSA-N 1 1 323.393 2.225 20 5 DEBDMO Cc1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000895244981 637840892 /nfs/dbraw/zinc/84/08/92/637840892.db2.gz BONSFJGOSAKUOD-ABAIWWIYSA-N 1 1 310.373 2.089 20 5 DEBDMO Cc1cn(C[N@@H+](C)C2CCC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000742172900 638040356 /nfs/dbraw/zinc/04/03/56/638040356.db2.gz JLORWHZVAWISQS-UHFFFAOYSA-N 1 1 316.361 2.297 20 5 DEBDMO Cc1cn(C[N@H+](C)C2CCC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000742172900 638040361 /nfs/dbraw/zinc/04/03/61/638040361.db2.gz JLORWHZVAWISQS-UHFFFAOYSA-N 1 1 316.361 2.297 20 5 DEBDMO Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000895566927 638093209 /nfs/dbraw/zinc/09/32/09/638093209.db2.gz CTEMXYOHBZVQEZ-RISCZKNCSA-N 1 1 308.407 2.169 20 5 DEBDMO COc1c(O)ccc(CNC[C@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000895587201 638098148 /nfs/dbraw/zinc/09/81/48/638098148.db2.gz KZUCXZMOFGWPGR-GFCCVEGCSA-N 1 1 323.393 2.131 20 5 DEBDMO CCOC(=O)Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895734987 638177146 /nfs/dbraw/zinc/17/71/46/638177146.db2.gz BHKCZVIVDRQNNL-DGCLKSJQSA-N 1 1 321.377 2.205 20 5 DEBDMO Cc1cccc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000750102719 638713390 /nfs/dbraw/zinc/71/33/90/638713390.db2.gz BNVJCEKEMCLMHU-INIZCTEOSA-N 1 1 301.346 2.464 20 5 DEBDMO CCC(=O)N1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000985187039 639137265 /nfs/dbraw/zinc/13/72/65/639137265.db2.gz JGCHKQOVGYYQNL-UHFFFAOYSA-N 1 1 305.378 2.428 20 5 DEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)C2CC2)CC1 ZINC000985190574 639140441 /nfs/dbraw/zinc/14/04/41/639140441.db2.gz HANOOZSCHPYJEV-UHFFFAOYSA-N 1 1 317.389 2.428 20 5 DEBDMO Cc1nn(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c2ccc([N+](=O)[O-])cc12 ZINC000752812870 639224142 /nfs/dbraw/zinc/22/41/42/639224142.db2.gz OGNDLOKCKCVGDG-YPMHNXCESA-N 1 1 318.377 2.446 20 5 DEBDMO C[N@H+]1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756993658 639726375 /nfs/dbraw/zinc/72/63/75/639726375.db2.gz WPEGHMBAPZVVHE-ZDUSSCGKSA-N 1 1 311.769 2.349 20 5 DEBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000841691074 650541699 /nfs/dbraw/zinc/54/16/99/650541699.db2.gz AINSLHOCPFJBFK-OUAUKWLOSA-N 1 1 317.345 2.125 20 5 DEBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000841691074 650541703 /nfs/dbraw/zinc/54/17/03/650541703.db2.gz AINSLHOCPFJBFK-OUAUKWLOSA-N 1 1 317.345 2.125 20 5 DEBDMO COC[C@H]1CCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765059820 640731251 /nfs/dbraw/zinc/73/12/51/640731251.db2.gz FBDMVDBFCSSUED-CYBMUJFWSA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1c(CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000897547452 640768064 /nfs/dbraw/zinc/76/80/64/640768064.db2.gz VMVKXEOPNJJNNC-AWEZNQCLSA-N 1 1 305.378 2.392 20 5 DEBDMO C[C@H]1[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000925308570 640775901 /nfs/dbraw/zinc/77/59/01/640775901.db2.gz RQZFGEMJZRKOAC-GZMMTYOYSA-N 1 1 312.757 2.462 20 5 DEBDMO COc1cc(CNCC[N@H+]2CCC(C)(C)C2)c([N+](=O)[O-])cc1O ZINC000898035073 641006976 /nfs/dbraw/zinc/00/69/76/641006976.db2.gz JEMHRDGUFRMIHO-UHFFFAOYSA-N 1 1 323.393 2.131 20 5 DEBDMO COc1cc(C[NH2+]CCN2CCC(C)(C)C2)c([N+](=O)[O-])cc1O ZINC000898035073 641006981 /nfs/dbraw/zinc/00/69/81/641006981.db2.gz JEMHRDGUFRMIHO-UHFFFAOYSA-N 1 1 323.393 2.131 20 5 DEBDMO CSC[C@H]1CCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000767775646 641020712 /nfs/dbraw/zinc/02/07/12/641020712.db2.gz OMKVMWDPQDXDNI-LLVKDONJSA-N 1 1 321.406 2.433 20 5 DEBDMO COC[C@@H]1CCCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000767947470 641034761 /nfs/dbraw/zinc/03/47/61/641034761.db2.gz IIKLHLQLEILXTI-CZUORRHYSA-N 1 1 308.378 2.377 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000771401312 641506595 /nfs/dbraw/zinc/50/65/95/641506595.db2.gz BXYYUPATLFLGLF-GHMZBOCLSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000771401312 641506599 /nfs/dbraw/zinc/50/65/99/641506599.db2.gz BXYYUPATLFLGLF-GHMZBOCLSA-N 1 1 309.341 2.207 20 5 DEBDMO C[C@@]1(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000842314456 650705507 /nfs/dbraw/zinc/70/55/07/650705507.db2.gz XYPTYGXHKUSQIR-INMHGKMJSA-N 1 1 318.373 2.250 20 5 DEBDMO C[C@@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000842314456 650705509 /nfs/dbraw/zinc/70/55/09/650705509.db2.gz XYPTYGXHKUSQIR-INMHGKMJSA-N 1 1 318.373 2.250 20 5 DEBDMO C[C@@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000842314456 650705513 /nfs/dbraw/zinc/70/55/13/650705513.db2.gz XYPTYGXHKUSQIR-INMHGKMJSA-N 1 1 318.373 2.250 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1C ZINC000899180205 641979828 /nfs/dbraw/zinc/97/98/28/641979828.db2.gz UHDIAAOZWRCQBH-KBPBESRZSA-N 1 1 317.389 2.378 20 5 DEBDMO CC[N@@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000899906728 642207855 /nfs/dbraw/zinc/20/78/55/642207855.db2.gz MOHCCHGMHMFNTD-VIFPVBQESA-N 1 1 322.283 2.305 20 5 DEBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778426996 642391520 /nfs/dbraw/zinc/39/15/20/642391520.db2.gz MLJKBCDNORPMBO-UHOFOFEASA-N 1 1 308.378 2.111 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@H](C3OCCO3)C2)ccc1[N+](=O)[O-] ZINC000778942803 642448644 /nfs/dbraw/zinc/44/86/44/642448644.db2.gz LPKSDHZPIJTUPL-ZDUSSCGKSA-N 1 1 322.361 2.188 20 5 DEBDMO CN(C)c1nccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000783650790 643034145 /nfs/dbraw/zinc/03/41/45/643034145.db2.gz AYFNRYMREOYYNX-UHFFFAOYSA-N 1 1 321.768 2.394 20 5 DEBDMO NC(C[NH+]1CCCCC1)=NOCc1c(F)cccc1[N+](=O)[O-] ZINC000902658607 643097820 /nfs/dbraw/zinc/09/78/20/643097820.db2.gz VRHVBQWXPACFPR-UHFFFAOYSA-N 1 1 310.329 2.218 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)cc1F ZINC000903024019 643229396 /nfs/dbraw/zinc/22/93/96/643229396.db2.gz SBFAJVZMEKEHII-GFCCVEGCSA-N 1 1 317.324 2.210 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)cc1F ZINC000903024019 643229399 /nfs/dbraw/zinc/22/93/99/643229399.db2.gz SBFAJVZMEKEHII-GFCCVEGCSA-N 1 1 317.324 2.210 20 5 DEBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785545147 643247100 /nfs/dbraw/zinc/24/71/00/643247100.db2.gz FHOVXXPUQYPHFC-MPTQWLOMSA-N 1 1 308.378 2.110 20 5 DEBDMO Cc1ccc(-c2noc(C[C@H]3CC[N@H+](C)C3)n2)cc1[N+](=O)[O-] ZINC000903980951 643534619 /nfs/dbraw/zinc/53/46/19/643534619.db2.gz COJMWGXAYRJKTK-LLVKDONJSA-N 1 1 302.334 2.447 20 5 DEBDMO C[N@H+]1CC[C@H](Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000903965922 643536820 /nfs/dbraw/zinc/53/68/20/643536820.db2.gz PZBUEIAFWMYAEO-LLVKDONJSA-N 1 1 302.334 2.063 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000794587297 644440518 /nfs/dbraw/zinc/44/05/18/644440518.db2.gz XRJXLSYMALTUTQ-CABCVRRESA-N 1 1 302.334 2.188 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000794587297 644440523 /nfs/dbraw/zinc/44/05/23/644440523.db2.gz XRJXLSYMALTUTQ-CABCVRRESA-N 1 1 302.334 2.188 20 5 DEBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2Cn2nccc2[N+](=O)[O-])C1 ZINC000799155258 645134109 /nfs/dbraw/zinc/13/41/09/645134109.db2.gz HJYHPTFTYKKFAO-SYQHCUMBSA-N 1 1 308.382 2.010 20 5 DEBDMO CC(C)COCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000800328198 645257613 /nfs/dbraw/zinc/25/76/13/645257613.db2.gz IRJSDSYQHPQHOD-UHFFFAOYSA-N 1 1 307.394 2.389 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000910029258 645289052 /nfs/dbraw/zinc/28/90/52/645289052.db2.gz YRQNPEIBTYVSIN-LSDHHAIUSA-N 1 1 315.329 2.447 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910267939 645378072 /nfs/dbraw/zinc/37/80/72/645378072.db2.gz UYMCRQCFHFKGIW-GFCCVEGCSA-N 1 1 323.368 2.219 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910282358 645386986 /nfs/dbraw/zinc/38/69/86/645386986.db2.gz FURYCWHLLUCRTH-CYBMUJFWSA-N 1 1 305.378 2.460 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C1 ZINC000843809497 651033507 /nfs/dbraw/zinc/03/35/07/651033507.db2.gz NFOINMQDEBBKKO-LBPRGKRZSA-N 1 1 323.368 2.456 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CC=CCC1 ZINC000843875163 651042423 /nfs/dbraw/zinc/04/24/23/651042423.db2.gz GMGOLVUMNKDUQI-UHFFFAOYSA-N 1 1 307.325 2.034 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000843875163 651042427 /nfs/dbraw/zinc/04/24/27/651042427.db2.gz GMGOLVUMNKDUQI-UHFFFAOYSA-N 1 1 307.325 2.034 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CN3CCOC3=S)C2)cc1 ZINC000840128988 646031170 /nfs/dbraw/zinc/03/11/70/646031170.db2.gz ZPNIYFYCJPTTBH-CYBMUJFWSA-N 1 1 321.402 2.349 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CN3CCOC3=S)C2)cc1 ZINC000840128988 646031172 /nfs/dbraw/zinc/03/11/72/646031172.db2.gz ZPNIYFYCJPTTBH-CYBMUJFWSA-N 1 1 321.402 2.349 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c(F)c1 ZINC000808453528 646087101 /nfs/dbraw/zinc/08/71/01/646087101.db2.gz HMWLKQJWFJCFQT-ZBFHGGJFSA-N 1 1 318.304 2.318 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)Cn1cc[nH+]c1C ZINC000810612767 646385930 /nfs/dbraw/zinc/38/59/30/646385930.db2.gz IKNXUTSFRQVYJS-JTQLQIEISA-N 1 1 319.317 2.354 20 5 DEBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000172970753 646758382 /nfs/dbraw/zinc/75/83/82/646758382.db2.gz FDLPLRBQAKVVFA-OAHLLOKOSA-N 1 1 316.361 2.288 20 5 DEBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000172970753 646758385 /nfs/dbraw/zinc/75/83/85/646758385.db2.gz FDLPLRBQAKVVFA-OAHLLOKOSA-N 1 1 316.361 2.288 20 5 DEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000816952490 647204171 /nfs/dbraw/zinc/20/41/71/647204171.db2.gz MDUXIKBQHIPJQD-GWCFXTLKSA-N 1 1 309.753 2.024 20 5 DEBDMO COc1ccc(C[NH+]2CCC(OC(C)=O)CC2)cc1[N+](=O)[O-] ZINC000153091942 647349595 /nfs/dbraw/zinc/34/95/95/647349595.db2.gz KENMDUBNRSBAOY-UHFFFAOYSA-N 1 1 308.334 2.131 20 5 DEBDMO CCC[N@@H+]1CCC[C@H]1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819307909 647630415 /nfs/dbraw/zinc/63/04/15/647630415.db2.gz BSGYGPLLYBZAIE-JKSUJKDBSA-N 1 1 307.394 2.092 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819307909 647630422 /nfs/dbraw/zinc/63/04/22/647630422.db2.gz BSGYGPLLYBZAIE-JKSUJKDBSA-N 1 1 307.394 2.092 20 5 DEBDMO CCc1nc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])co1 ZINC000819353393 647641855 /nfs/dbraw/zinc/64/18/55/647641855.db2.gz CTGSWPFHLULFCQ-UHFFFAOYSA-N 1 1 318.333 2.264 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000916984607 647951700 /nfs/dbraw/zinc/95/17/00/647951700.db2.gz KWKJVDPILSYOSO-HNNXBMFYSA-N 1 1 323.368 2.031 20 5 DEBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822773284 648284042 /nfs/dbraw/zinc/28/40/42/648284042.db2.gz QURLTTRZSHGTHT-UHFFFAOYSA-N 1 1 313.442 2.401 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000825625152 648789377 /nfs/dbraw/zinc/78/93/77/648789377.db2.gz HBVPOXDTWQLPJQ-NUEKZKHPSA-N 1 1 317.389 2.299 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827267651 649004810 /nfs/dbraw/zinc/00/48/10/649004810.db2.gz OEMNUSBWWWXSDB-STQMWFEESA-N 1 1 303.362 2.069 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC[C@H]21 ZINC000827312391 649012036 /nfs/dbraw/zinc/01/20/36/649012036.db2.gz VCUUMIADUSVGLE-GXFFZTMASA-N 1 1 323.780 2.414 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC000827312392 649012043 /nfs/dbraw/zinc/01/20/43/649012043.db2.gz VCUUMIADUSVGLE-MFKMUULPSA-N 1 1 323.780 2.414 20 5 DEBDMO CCc1ccc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827312032 649012370 /nfs/dbraw/zinc/01/23/70/649012370.db2.gz SZAXTIHJPLHTLH-GJZGRUSLSA-N 1 1 317.389 2.323 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827311988 649012425 /nfs/dbraw/zinc/01/24/25/649012425.db2.gz SGHCKCFHMCTRHQ-GOEBONIOSA-N 1 1 317.389 2.080 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827320840 649014366 /nfs/dbraw/zinc/01/43/66/649014366.db2.gz SOQMFBSRBFSAGZ-QMTHXVAHSA-N 1 1 323.780 2.414 20 5 DEBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@H+]1CCO ZINC000829015207 649260325 /nfs/dbraw/zinc/26/03/25/649260325.db2.gz AJVVZTLCVKVLBI-PHIMTYICSA-N 1 1 313.785 2.140 20 5 DEBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@@H+]1CCO ZINC000829015207 649260326 /nfs/dbraw/zinc/26/03/26/649260326.db2.gz AJVVZTLCVKVLBI-PHIMTYICSA-N 1 1 313.785 2.140 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000830110278 649395249 /nfs/dbraw/zinc/39/52/49/649395249.db2.gz COMRLBCWIZYEJD-SKDRFNHKSA-N 1 1 309.391 2.139 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830744389 649490357 /nfs/dbraw/zinc/49/03/57/649490357.db2.gz QHFYUHWDLIZXTH-UHFFFAOYSA-N 1 1 320.324 2.401 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000830813114 649499757 /nfs/dbraw/zinc/49/97/57/649499757.db2.gz YXHAWKGJVNNNRD-XFJVYGCCSA-N 1 1 324.352 2.096 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831970785 649664761 /nfs/dbraw/zinc/66/47/61/649664761.db2.gz FNWIJRMDDCVJIW-HOCLYGCPSA-N 1 1 307.394 2.044 20 5 DEBDMO CC1(C)C[C@H](O)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832151777 649679111 /nfs/dbraw/zinc/67/91/11/649679111.db2.gz AKJQBRDRXMGVMX-CABCVRRESA-N 1 1 308.378 2.111 20 5 DEBDMO COC[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000832745799 649740768 /nfs/dbraw/zinc/74/07/68/649740768.db2.gz MHJHFUKHRSRASB-CJNGLKHVSA-N 1 1 308.378 2.377 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832778738 649744725 /nfs/dbraw/zinc/74/47/25/649744725.db2.gz OWMQBIFOLOWDGA-JKSUJKDBSA-N 1 1 307.394 2.043 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(CO[NH+]=C(N)CC(C)C)c1 ZINC000844763397 651167311 /nfs/dbraw/zinc/16/73/11/651167311.db2.gz JTZPNWRABFZWBS-UHFFFAOYSA-N 1 1 309.322 2.426 20 5 DEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000848370916 651454817 /nfs/dbraw/zinc/45/48/17/651454817.db2.gz CVGGRCVMCRGJBM-RSKUSDAESA-N 1 1 303.362 2.161 20 5 DEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000848370916 651454818 /nfs/dbraw/zinc/45/48/18/651454818.db2.gz CVGGRCVMCRGJBM-RSKUSDAESA-N 1 1 303.362 2.161 20 5 DEBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854894315 651585678 /nfs/dbraw/zinc/58/56/78/651585678.db2.gz YUIYHMDZJSEAKD-UHFFFAOYSA-N 1 1 309.341 2.338 20 5 DEBDMO O=C1CC[C@@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000852134869 652349032 /nfs/dbraw/zinc/34/90/32/652349032.db2.gz IOZZGLQJSHCXIH-ZFWWWQNUSA-N 1 1 304.346 2.480 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000852345867 652388791 /nfs/dbraw/zinc/38/87/91/652388791.db2.gz MWVGHTVUMCVWSI-SCDSUCTJSA-N 1 1 321.333 2.096 20 5 DEBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852426395 652399711 /nfs/dbraw/zinc/39/97/11/652399711.db2.gz QRBPQTUCKGWDKX-RISCZKNCSA-N 1 1 323.349 2.486 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852431554 652400798 /nfs/dbraw/zinc/40/07/98/652400798.db2.gz CKEBJINKMJRHPD-NWDGAFQWSA-N 1 1 305.334 2.182 20 5 DEBDMO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000853476973 652552682 /nfs/dbraw/zinc/55/26/82/652552682.db2.gz NCEKMZJLJDPKCP-NSHDSACASA-N 1 1 313.304 2.053 20 5 DEBDMO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000853476973 652552683 /nfs/dbraw/zinc/55/26/83/652552683.db2.gz NCEKMZJLJDPKCP-NSHDSACASA-N 1 1 313.304 2.053 20 5 DEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928450958 693784024 /nfs/dbraw/zinc/78/40/24/693784024.db2.gz JGHGDZYACIYQJM-UHIISALHSA-N 1 1 323.418 2.284 20 5 DEBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000112959816 684061666 /nfs/dbraw/zinc/06/16/66/684061666.db2.gz VOQJHPHVXVEIHV-ZDUSSCGKSA-N 1 1 302.334 2.292 20 5 DEBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000112959816 684061668 /nfs/dbraw/zinc/06/16/68/684061668.db2.gz VOQJHPHVXVEIHV-ZDUSSCGKSA-N 1 1 302.334 2.292 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000160417142 684328176 /nfs/dbraw/zinc/32/81/76/684328176.db2.gz GQFGHHCIUQPVQD-SECBINFHSA-N 1 1 309.753 2.215 20 5 DEBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@H+]1CCC[C@@H](C)C1 ZINC000195157463 685089352 /nfs/dbraw/zinc/08/93/52/685089352.db2.gz LFLIRDXPQUKKQQ-NEPJUHHUSA-N 1 1 320.393 2.027 20 5 DEBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@H](CO)C2)c1 ZINC000929696349 694007468 /nfs/dbraw/zinc/00/74/68/694007468.db2.gz LCRNMVDLECZCNI-VIFPVBQESA-N 1 1 315.167 2.172 20 5 DEBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@H](CO)C2)c1 ZINC000929696349 694007473 /nfs/dbraw/zinc/00/74/73/694007473.db2.gz LCRNMVDLECZCNI-VIFPVBQESA-N 1 1 315.167 2.172 20 5 DEBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000862792276 686378686 /nfs/dbraw/zinc/37/86/86/686378686.db2.gz RJOYQBRXDJGMMD-LLVKDONJSA-N 1 1 309.341 2.196 20 5 DEBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000929954301 694058788 /nfs/dbraw/zinc/05/87/88/694058788.db2.gz GKVYRNIFXASPBK-GFCCVEGCSA-N 1 1 320.324 2.332 20 5 DEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000929954301 694058792 /nfs/dbraw/zinc/05/87/92/694058792.db2.gz GKVYRNIFXASPBK-GFCCVEGCSA-N 1 1 320.324 2.332 20 5 DEBDMO COC/C(C)=C\C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987014 694064954 /nfs/dbraw/zinc/06/49/54/694064954.db2.gz ITAPNQJNBPHAOM-XLVZXTRVSA-N 1 1 306.366 2.069 20 5 DEBDMO CCc1[nH+]c(C)cn1CC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000865392523 687196525 /nfs/dbraw/zinc/19/65/25/687196525.db2.gz AQYBZTVKCXXAIZ-UHFFFAOYSA-N 1 1 306.297 2.440 20 5 DEBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CC[N@H+]1CCO ZINC000865689376 687303102 /nfs/dbraw/zinc/30/31/02/687303102.db2.gz FIBBHQFFFRHZGE-JTQLQIEISA-N 1 1 315.320 2.035 20 5 DEBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1(C)C ZINC000866112658 687450608 /nfs/dbraw/zinc/45/06/08/687450608.db2.gz HWUAXJAYJPDPJC-UHFFFAOYSA-N 1 1 308.338 2.424 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C(C)(C)CC2)c1 ZINC000866112439 687450695 /nfs/dbraw/zinc/45/06/95/687450695.db2.gz ANBWPOHJRICOTR-UHFFFAOYSA-N 1 1 321.377 2.302 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866300596 687528650 /nfs/dbraw/zinc/52/86/50/687528650.db2.gz CHBAJYUBBBEJRV-UHFFFAOYSA-N 1 1 311.357 2.125 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000866457604 687579296 /nfs/dbraw/zinc/57/92/96/687579296.db2.gz QXLVSNHFDXNXCW-PWSUYJOCSA-N 1 1 321.352 2.018 20 5 DEBDMO C[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000867951838 687846819 /nfs/dbraw/zinc/84/68/19/687846819.db2.gz NOGZKGXZFRTYRO-MLGOLLRUSA-N 1 1 305.378 2.417 20 5 DEBDMO CC(C)[C@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867965446 687853333 /nfs/dbraw/zinc/85/33/33/687853333.db2.gz FFGUUZLTTWTWBW-BLLLJJGKSA-N 1 1 305.378 2.273 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H](O)C3(O)CCC3)C2)cc1 ZINC000930635879 694207350 /nfs/dbraw/zinc/20/73/50/694207350.db2.gz AVWALMVOHSAYEG-GDBMZVCRSA-N 1 1 320.389 2.050 20 5 DEBDMO C[C@@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000870789150 688654249 /nfs/dbraw/zinc/65/42/49/688654249.db2.gz SNVGFSAJVAOFEX-NWDGAFQWSA-N 1 1 309.366 2.353 20 5 DEBDMO C[C@@]([NH3+])(C(=O)N1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000870886702 688678364 /nfs/dbraw/zinc/67/83/64/688678364.db2.gz QFZLITXUJJUUDH-INIZCTEOSA-N 1 1 305.378 2.417 20 5 DEBDMO CCCNC(=O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872018827 688914507 /nfs/dbraw/zinc/91/45/07/688914507.db2.gz QESMIRQVEQFXQQ-SNVBAGLBSA-N 1 1 311.407 2.494 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCS(C)(=O)=O ZINC000872027128 688915593 /nfs/dbraw/zinc/91/55/93/688915593.db2.gz BYLMBWNYNYLZLJ-VIFPVBQESA-N 1 1 318.420 2.012 20 5 DEBDMO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872043663 688918566 /nfs/dbraw/zinc/91/85/66/688918566.db2.gz KBRNCCMGUDLHLH-MNOVXSKESA-N 1 1 309.341 2.395 20 5 DEBDMO CCN(C)C(=O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872063707 688920902 /nfs/dbraw/zinc/92/09/02/688920902.db2.gz SHRIGOLLBBCWQN-SNVBAGLBSA-N 1 1 311.407 2.446 20 5 DEBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1O ZINC000872259164 688966459 /nfs/dbraw/zinc/96/64/59/688966459.db2.gz MYPWYKYSLZOXFI-JJXSEGSLSA-N 1 1 320.389 2.110 20 5 DEBDMO C[C@H]1CCC[N@@H+](CC[N+](=O)[O-])[C@H]1CCNC(=O)OC(C)(C)C ZINC000930849123 694254773 /nfs/dbraw/zinc/25/47/73/694254773.db2.gz JVALPSOVRKHJGC-STQMWFEESA-N 1 1 315.414 2.278 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000930861748 694257782 /nfs/dbraw/zinc/25/77/82/694257782.db2.gz GCFQLTBDBYSDRV-NEPJUHHUSA-N 1 1 306.366 2.426 20 5 DEBDMO Cc1csc([C@@H]2CC[N@H+](Cn3cc([N+](=O)[O-])c(C)n3)C2)n1 ZINC000872806803 689098312 /nfs/dbraw/zinc/09/83/12/689098312.db2.gz VCYIYBFOGOVYNX-LLVKDONJSA-N 1 1 307.379 2.312 20 5 DEBDMO Cc1csc([C@@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])c(C)n3)C2)n1 ZINC000872806803 689098315 /nfs/dbraw/zinc/09/83/15/689098315.db2.gz VCYIYBFOGOVYNX-LLVKDONJSA-N 1 1 307.379 2.312 20 5 DEBDMO Cc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873253224 689195066 /nfs/dbraw/zinc/19/50/66/689195066.db2.gz VHQMWPNJHZFRRU-BZUAXINKSA-N 1 1 319.405 2.150 20 5 DEBDMO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@@H+](CC[N+](=O)[O-])[C@@H]1C ZINC000930901536 694266872 /nfs/dbraw/zinc/26/68/72/694266872.db2.gz GZMYHWNXVUCPMT-JHJVBQTASA-N 1 1 315.414 2.277 20 5 DEBDMO Cc1sc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874842901 689513284 /nfs/dbraw/zinc/51/32/84/689513284.db2.gz KOJUNHMVQQKQEQ-QWRGUYRKSA-N 1 1 309.391 2.273 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000931056703 694306051 /nfs/dbraw/zinc/30/60/51/694306051.db2.gz GEEFADHOXSAQDP-BETUJISGSA-N 1 1 318.377 2.237 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000877497196 690131867 /nfs/dbraw/zinc/13/18/67/690131867.db2.gz JLIUXBPQACWXKT-OCCSQVGLSA-N 1 1 319.361 2.142 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000877622270 690170774 /nfs/dbraw/zinc/17/07/74/690170774.db2.gz JTOMFPGBQKQXMU-CQSZACIVSA-N 1 1 315.377 2.325 20 5 DEBDMO Cc1csc([C@@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)n1 ZINC000877813850 690238589 /nfs/dbraw/zinc/23/85/89/690238589.db2.gz KZFWVRBSZWNZKW-SNVBAGLBSA-N 1 1 307.379 2.083 20 5 DEBDMO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000878712640 690483430 /nfs/dbraw/zinc/48/34/30/690483430.db2.gz ZIOMCGOTIMKYFC-ZDUSSCGKSA-N 1 1 301.350 2.319 20 5 DEBDMO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000878712640 690483432 /nfs/dbraw/zinc/48/34/32/690483432.db2.gz ZIOMCGOTIMKYFC-ZDUSSCGKSA-N 1 1 301.350 2.319 20 5 DEBDMO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000878712640 690483435 /nfs/dbraw/zinc/48/34/35/690483435.db2.gz ZIOMCGOTIMKYFC-ZDUSSCGKSA-N 1 1 301.350 2.319 20 5 DEBDMO Cc1nc([C@H]2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000878712640 690483438 /nfs/dbraw/zinc/48/34/38/690483438.db2.gz ZIOMCGOTIMKYFC-ZDUSSCGKSA-N 1 1 301.350 2.319 20 5 DEBDMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000878712640 690483440 /nfs/dbraw/zinc/48/34/40/690483440.db2.gz ZIOMCGOTIMKYFC-ZDUSSCGKSA-N 1 1 301.350 2.319 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000878876396 690518873 /nfs/dbraw/zinc/51/88/73/690518873.db2.gz MBYVUDNLUWSAKN-LSDHHAIUSA-N 1 1 302.334 2.188 20 5 DEBDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000879134136 690575595 /nfs/dbraw/zinc/57/55/95/690575595.db2.gz VBAMFDWDLUWOCZ-BONVTDFDSA-N 1 1 310.325 2.365 20 5 DEBDMO CO[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000879323718 690620065 /nfs/dbraw/zinc/62/00/65/690620065.db2.gz VMRUBASPXOGBBV-JSGCOSHPSA-N 1 1 321.377 2.341 20 5 DEBDMO CO[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000879323718 690620067 /nfs/dbraw/zinc/62/00/67/690620067.db2.gz VMRUBASPXOGBBV-JSGCOSHPSA-N 1 1 321.377 2.341 20 5 DEBDMO NC(=O)[C@H](C1CC1)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000879491478 690653771 /nfs/dbraw/zinc/65/37/71/690653771.db2.gz IAEWWPQLZSEMDP-INIZCTEOSA-N 1 1 317.389 2.113 20 5 DEBDMO Cc1csc([C@@H]2CC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)n1 ZINC000880013144 690780596 /nfs/dbraw/zinc/78/05/96/690780596.db2.gz GPURPDVHBSSLCQ-GFCCVEGCSA-N 1 1 321.406 2.354 20 5 DEBDMO CC(C)(O)[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000880148547 690823851 /nfs/dbraw/zinc/82/38/51/690823851.db2.gz GSXQQXUVOVYBKW-VIFPVBQESA-N 1 1 300.305 2.466 20 5 DEBDMO CC(C)(O)[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000880148547 690823856 /nfs/dbraw/zinc/82/38/56/690823856.db2.gz GSXQQXUVOVYBKW-VIFPVBQESA-N 1 1 300.305 2.466 20 5 DEBDMO Cc1ccc(C[N@@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)cc1[N+](=O)[O-] ZINC000880525403 690918539 /nfs/dbraw/zinc/91/85/39/690918539.db2.gz GHCDRYZAPGRLKZ-DZGCQCFKSA-N 1 1 303.362 2.004 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)cc1[N+](=O)[O-] ZINC000880525403 690918542 /nfs/dbraw/zinc/91/85/42/690918542.db2.gz GHCDRYZAPGRLKZ-DZGCQCFKSA-N 1 1 303.362 2.004 20 5 DEBDMO O=[N+]([O-])c1cc(Cn2cc(C[NH+]3CCCC3)nn2)ccc1Cl ZINC000881226971 691052476 /nfs/dbraw/zinc/05/24/76/691052476.db2.gz DHVKMPOOVAARLI-UHFFFAOYSA-N 1 1 321.768 2.484 20 5 DEBDMO C[C@@H]1C[N@H+](CCCNc2ccnc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000881787122 691162215 /nfs/dbraw/zinc/16/22/15/691162215.db2.gz XWWJNBAIKDEBGL-PHIMTYICSA-N 1 1 312.345 2.040 20 5 DEBDMO CC(=O)c1c(N[C@@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000882208969 691236654 /nfs/dbraw/zinc/23/66/54/691236654.db2.gz FAPHFUQRTOTWDV-LLVKDONJSA-N 1 1 300.318 2.421 20 5 DEBDMO Cn1cc(C[NH2+][C@H]2c3ccccc3NC2(C)C)c([N+](=O)[O-])n1 ZINC000883464759 691517446 /nfs/dbraw/zinc/51/74/46/691517446.db2.gz VVXJQEWIZBJKTQ-ZDUSSCGKSA-N 1 1 301.350 2.363 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H]([C@@H]4CCCO4)C3)c2c1 ZINC000884483543 691748645 /nfs/dbraw/zinc/74/86/45/691748645.db2.gz UZOZSWZLJDFURI-CJNGLKHVSA-N 1 1 316.361 2.403 20 5 DEBDMO Cc1ccc(NCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000885689726 691929342 /nfs/dbraw/zinc/92/93/42/691929342.db2.gz YFTDECAPYHWXEX-UHFFFAOYSA-N 1 1 314.345 2.069 20 5 DEBDMO CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045437650 691980536 /nfs/dbraw/zinc/98/05/36/691980536.db2.gz WWPNPOUMERXDKE-CHWSQXEVSA-N 1 1 311.426 2.059 20 5 DEBDMO Cn1cc([C@@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000886220505 692027754 /nfs/dbraw/zinc/02/77/54/692027754.db2.gz JJDHSJPJLKGYIU-AWEZNQCLSA-N 1 1 315.377 2.349 20 5 DEBDMO COc1cc(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)c([N+](=O)[O-])cc1F ZINC000886631388 692140538 /nfs/dbraw/zinc/14/05/38/692140538.db2.gz LMWMEROUILJKKO-HZPDHXFCSA-N 1 1 324.352 2.479 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)c([N+](=O)[O-])cc1F ZINC000886631388 692140539 /nfs/dbraw/zinc/14/05/39/692140539.db2.gz LMWMEROUILJKKO-HZPDHXFCSA-N 1 1 324.352 2.479 20 5 DEBDMO Cc1nc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)no1 ZINC000931937044 694509974 /nfs/dbraw/zinc/50/99/74/694509974.db2.gz IVPLDOSRHVGSKM-LLVKDONJSA-N 1 1 306.297 2.415 20 5 DEBDMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)no1 ZINC000931937044 694509976 /nfs/dbraw/zinc/50/99/76/694509976.db2.gz IVPLDOSRHVGSKM-LLVKDONJSA-N 1 1 306.297 2.415 20 5 DEBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874704 692217770 /nfs/dbraw/zinc/21/77/70/692217770.db2.gz UQLWGEAWOZFGAT-INIZCTEOSA-N 1 1 305.378 2.266 20 5 DEBDMO CCOc1ccc(NC(=O)C[N@H+](C)CCCF)c([N+](=O)[O-])c1 ZINC000887138857 692290082 /nfs/dbraw/zinc/29/00/82/692290082.db2.gz OWKVHHHMPGXPGO-UHFFFAOYSA-N 1 1 313.329 2.223 20 5 DEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CCCF)c([N+](=O)[O-])c1 ZINC000887138857 692290083 /nfs/dbraw/zinc/29/00/83/692290083.db2.gz OWKVHHHMPGXPGO-UHFFFAOYSA-N 1 1 313.329 2.223 20 5 DEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887932028 692483356 /nfs/dbraw/zinc/48/33/56/692483356.db2.gz RRHNIKMQOGEOCG-BMIGLBTASA-N 1 1 323.780 2.272 20 5 DEBDMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925252408 693247143 /nfs/dbraw/zinc/24/71/43/693247143.db2.gz KKHQAZDFZMCDJL-JTNHKYCSSA-N 1 1 306.366 2.048 20 5 DEBDMO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC001335273285 1150392137 /nfs/dbraw/zinc/39/21/37/1150392137.db2.gz NIZFSPXSYKASMQ-SNVBAGLBSA-N 1 1 319.283 2.092 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001345720160 1150910211 /nfs/dbraw/zinc/91/02/11/1150910211.db2.gz RJSVAZBSXPDNIO-IACUBPJLSA-N 1 1 318.377 2.365 20 5 DEBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1C1CCCC1 ZINC001347388293 1151061910 /nfs/dbraw/zinc/06/19/10/1151061910.db2.gz MNMVDDPJWUVFRH-NSHDSACASA-N 1 1 307.350 2.277 20 5 DEBDMO O=C(NC[C@@]12CC[N@@H+](C1)CCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC001347807870 1151098918 /nfs/dbraw/zinc/09/89/18/1151098918.db2.gz AEZFWFWNWXZHMA-OAHLLOKOSA-N 1 1 323.780 2.464 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001350120600 1151325958 /nfs/dbraw/zinc/32/59/58/1151325958.db2.gz OQUVSBQBVGFOLP-GAFUQQFSSA-N 1 1 322.340 2.196 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC001350263450 1151338735 /nfs/dbraw/zinc/33/87/35/1151338735.db2.gz WXSZMTWFWPKQIJ-UHFFFAOYSA-N 1 1 306.366 2.463 20 5 DEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001356387559 1152078691 /nfs/dbraw/zinc/07/86/91/1152078691.db2.gz BIBOLFLHTMHHIK-UHFFFAOYSA-N 1 1 323.312 2.106 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001164632916 719164507 /nfs/dbraw/zinc/16/45/07/719164507.db2.gz FTXUKKIIENTCKS-QWRGUYRKSA-N 1 1 301.350 2.067 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001164640699 719169748 /nfs/dbraw/zinc/16/97/48/719169748.db2.gz VMFRKBXMZWBMHA-QWRGUYRKSA-N 1 1 301.350 2.067 20 5 DEBDMO O=[N+]([O-])c1cc(F)cnc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164771027 721282573 /nfs/dbraw/zinc/28/25/73/721282573.db2.gz YNDXTDFKOLTBSI-UHFFFAOYSA-N 1 1 306.341 2.051 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCCNc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001167751401 778414174 /nfs/dbraw/zinc/41/41/74/778414174.db2.gz KNNDLIARHHDUNS-NSHDSACASA-N 1 1 318.381 2.494 20 5 DEBDMO COc1cc(N(C(N)=[NH2+])c2ccc(F)cc2)cnc1[N+](=O)[O-] ZINC001167992016 779208595 /nfs/dbraw/zinc/20/85/95/779208595.db2.gz NSVLTOBKKHDDDP-UHFFFAOYSA-N 1 1 305.269 2.169 20 5 DEBDMO COc1c(O)ccc(C[NH2+][C@@H]2CCCC[C@H]2N(C)C)c1[N+](=O)[O-] ZINC001333669064 1150076191 /nfs/dbraw/zinc/07/61/91/1150076191.db2.gz USXAXXKKXJNTPK-CHWSQXEVSA-N 1 1 323.393 2.271 20 5 DEBDMO COc1c(O)ccc(C[NH2+][C@H]2CCCC[C@@H]2N(C)C)c1[N+](=O)[O-] ZINC001333669067 1150076242 /nfs/dbraw/zinc/07/62/42/1150076242.db2.gz USXAXXKKXJNTPK-STQMWFEESA-N 1 1 323.393 2.271 20 5 DEBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000745084534 784678118 /nfs/dbraw/zinc/67/81/18/784678118.db2.gz UPVYBTIYVMRGLT-OAHLLOKOSA-N 1 1 322.361 2.391 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000745084534 784678122 /nfs/dbraw/zinc/67/81/22/784678122.db2.gz UPVYBTIYVMRGLT-OAHLLOKOSA-N 1 1 322.361 2.391 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCN(c3ccccn3)CC2)C1 ZINC001169008164 785000627 /nfs/dbraw/zinc/00/06/27/785000627.db2.gz RNXSADQHURXCNX-CABCVRRESA-N 1 1 304.394 2.039 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3cc4c(cc3C2)OCO4)C1 ZINC001169010964 785002666 /nfs/dbraw/zinc/00/26/66/785002666.db2.gz GSESTMKSLJGUAP-FZMZJTMJSA-N 1 1 304.346 2.219 20 5 DEBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@]1(O)C(F)(F)F ZINC001169011951 785003301 /nfs/dbraw/zinc/00/33/01/785003301.db2.gz NWROLUUCBNSUPX-FDYHWXHSSA-N 1 1 324.343 2.457 20 5 DEBDMO CCOC(=O)[C@]1(C)CCCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169012368 785003595 /nfs/dbraw/zinc/00/35/95/785003595.db2.gz PXFUHXSDWGPHBK-SQWLQELKSA-N 1 1 312.410 2.487 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)C1 ZINC001169011977 785003614 /nfs/dbraw/zinc/00/36/14/785003614.db2.gz ODOWSVFQMPEDBX-UTUOFQBUSA-N 1 1 310.316 2.211 20 5 DEBDMO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036453 785011551 /nfs/dbraw/zinc/01/15/51/785011551.db2.gz FXTBDZWKDSVLMM-OAGGEKHMSA-N 1 1 320.389 2.148 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)C1 ZINC001169023645 785017880 /nfs/dbraw/zinc/01/78/80/785017880.db2.gz PHHZGOULYNBRIZ-LUKYLMHMSA-N 1 1 304.390 2.110 20 5 DEBDMO Cc1cccnc1N1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169025495 785017890 /nfs/dbraw/zinc/01/78/90/785017890.db2.gz JOHCEWJNOCMWNM-CVEARBPZSA-N 1 1 318.421 2.348 20 5 DEBDMO CC[C@@H]1[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2C ZINC001169026651 785019799 /nfs/dbraw/zinc/01/97/99/785019799.db2.gz YJNSNIMRQMASGI-IVSAIRAKSA-N 1 1 323.437 2.297 20 5 DEBDMO CC[C@@H]1[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2C ZINC001169026650 785020005 /nfs/dbraw/zinc/02/00/05/785020005.db2.gz YJNSNIMRQMASGI-AIANPOQGSA-N 1 1 323.437 2.297 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC001170326639 786908913 /nfs/dbraw/zinc/90/89/13/786908913.db2.gz BAZKYJMPXLPQOZ-LBPRGKRZSA-N 1 1 318.377 2.400 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329066 786911689 /nfs/dbraw/zinc/91/16/89/786911689.db2.gz NVWXOSRTAVLPTD-MLGOLLRUSA-N 1 1 308.378 2.239 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170335996 786914335 /nfs/dbraw/zinc/91/43/35/786914335.db2.gz SVZNQVSGYNZHHG-WQGACYEGSA-N 1 1 308.378 2.237 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2ccncn2)c([N+](=O)[O-])c1 ZINC001170355572 786917684 /nfs/dbraw/zinc/91/76/84/786917684.db2.gz KLYUOUOTSNQZOX-LBPRGKRZSA-N 1 1 316.361 2.456 20 5 DEBDMO CCC[N@@H+](C)CCC(=O)NCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001093770630 792586801 /nfs/dbraw/zinc/58/68/01/792586801.db2.gz ALWBCSGGVZQHQK-UHFFFAOYSA-N 1 1 322.409 2.163 20 5 DEBDMO COC(=O)C(C)(C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897908 793522117 /nfs/dbraw/zinc/52/21/17/793522117.db2.gz DCVQHJGOMFYFET-ZDUSSCGKSA-N 1 1 306.362 2.383 20 5 DEBDMO CC[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(=O)OC ZINC001172900011 793523184 /nfs/dbraw/zinc/52/31/84/793523184.db2.gz RFCGCBIPUNRGOE-UKRRQHHQSA-N 1 1 306.362 2.383 20 5 DEBDMO CN(C)C(=O)CC[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922147 793533615 /nfs/dbraw/zinc/53/36/15/793533615.db2.gz WHXMSOVSBXPBAI-HNNXBMFYSA-N 1 1 319.405 2.252 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001173228613 793643328 /nfs/dbraw/zinc/64/33/28/793643328.db2.gz YILXSFQQBFQGFG-DZGCQCFKSA-N 1 1 319.405 2.326 20 5 DEBDMO CC[N@H+]1C[C@H]2CN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001173238397 793656967 /nfs/dbraw/zinc/65/69/67/793656967.db2.gz RFHYBMOTIPLDDW-CWRNSKLLSA-N 1 1 303.406 2.409 20 5 DEBDMO CC[N@@H+]1C[C@H]2CN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001173238397 793656971 /nfs/dbraw/zinc/65/69/71/793656971.db2.gz RFHYBMOTIPLDDW-CWRNSKLLSA-N 1 1 303.406 2.409 20 5 DEBDMO C[NH+](C)[C@@H]1CCCC[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001118087769 795151447 /nfs/dbraw/zinc/15/14/47/795151447.db2.gz FQQOQHZSRRQMQD-BZUAXINKSA-N 1 1 307.394 2.091 20 5 DEBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H]1CCOC1 ZINC001179793416 795177448 /nfs/dbraw/zinc/17/74/48/795177448.db2.gz JUXHFXVBQJGWQH-QMMMGPOBSA-N 1 1 301.140 2.236 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C1 ZINC001118793047 795227202 /nfs/dbraw/zinc/22/72/02/795227202.db2.gz RYJRVOBQXMCVTH-NSHDSACASA-N 1 1 309.341 2.256 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001119386535 795296252 /nfs/dbraw/zinc/29/62/52/795296252.db2.gz ZYWOUQFTKFTYAI-NSHDSACASA-N 1 1 310.329 2.340 20 5 DEBDMO CC[N@@H+]1CC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001137853401 796146559 /nfs/dbraw/zinc/14/65/59/796146559.db2.gz NLKSEMRFRWOEFV-GFCCVEGCSA-N 1 1 311.769 2.001 20 5 DEBDMO CC[N@H+]1CC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001137853401 796146561 /nfs/dbraw/zinc/14/65/61/796146561.db2.gz NLKSEMRFRWOEFV-GFCCVEGCSA-N 1 1 311.769 2.001 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC001137894293 796149783 /nfs/dbraw/zinc/14/97/83/796149783.db2.gz QRCHCZULTRLVER-NWDGAFQWSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC001137894293 796149788 /nfs/dbraw/zinc/14/97/88/796149788.db2.gz QRCHCZULTRLVER-NWDGAFQWSA-N 1 1 321.377 2.158 20 5 DEBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)[N@H+]1CCC[C@@H](C)C1 ZINC001141643202 796682615 /nfs/dbraw/zinc/68/26/15/796682615.db2.gz LGNWULFCDMDZEP-NEPJUHHUSA-N 1 1 320.393 2.027 20 5 DEBDMO Nc1nnc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)o1 ZINC001196526551 798068374 /nfs/dbraw/zinc/06/83/74/798068374.db2.gz PEFSYLRZJWVENY-JTQLQIEISA-N 1 1 321.312 2.079 20 5 DEBDMO Nc1nnc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)o1 ZINC001196526551 798068381 /nfs/dbraw/zinc/06/83/81/798068381.db2.gz PEFSYLRZJWVENY-JTQLQIEISA-N 1 1 321.312 2.079 20 5 DEBDMO COc1nc(C)c([N+](=O)[O-])c(NCCC[N@H+]2CCCC[C@H]2C)n1 ZINC001156928624 798111903 /nfs/dbraw/zinc/11/19/03/798111903.db2.gz OLJFKCVASSLAKH-LLVKDONJSA-N 1 1 323.397 2.378 20 5 DEBDMO Cc1ncc([N+](=O)[O-])c(-n2ccc(C[NH2+]Cc3ccccc3)n2)n1 ZINC001157609047 798241407 /nfs/dbraw/zinc/24/14/07/798241407.db2.gz HWBLPIAUKKGCLS-UHFFFAOYSA-N 1 1 324.344 2.169 20 5 DEBDMO CC(C)[N@H+]1CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C[C@@H]1C ZINC001158494874 798416952 /nfs/dbraw/zinc/41/69/52/798416952.db2.gz CEDJJVIBFDETAG-NSHDSACASA-N 1 1 303.366 2.390 20 5 DEBDMO N[C@H](CCC[NH3+])Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001159788466 798608220 /nfs/dbraw/zinc/60/82/20/798608220.db2.gz IOCKKTRFUBINFU-ZDUSSCGKSA-N 1 1 309.757 2.232 20 5 DEBDMO COc1cnc(NCC[NH+]2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC001160748864 798735743 /nfs/dbraw/zinc/73/57/43/798735743.db2.gz CPBGENDIUORIFF-UHFFFAOYSA-N 1 1 316.308 2.141 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CCNc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001160964976 798771814 /nfs/dbraw/zinc/77/18/14/798771814.db2.gz ULHPCMQRSFWHEV-LLVKDONJSA-N 1 1 301.350 2.434 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC001163365156 799324284 /nfs/dbraw/zinc/32/42/84/799324284.db2.gz XTYHEQRXJYBVQK-PWSUYJOCSA-N 1 1 323.353 2.429 20 5 DEBDMO Cc1c(F)cc([N+](=O)[O-])cc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164217016 799542688 /nfs/dbraw/zinc/54/26/88/799542688.db2.gz PTIFNXUMPRQHHC-UHFFFAOYSA-N 1 1 324.400 2.480 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])C1 ZINC001165263087 799690328 /nfs/dbraw/zinc/69/03/28/799690328.db2.gz YORZOGMHMOBJIH-SNVBAGLBSA-N 1 1 314.773 2.025 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNc2ccc3ncc([N+](=O)[O-])n3c2)C1 ZINC001165278630 799694295 /nfs/dbraw/zinc/69/42/95/799694295.db2.gz IYRBOVHPXBNAHG-GFCCVEGCSA-N 1 1 303.366 2.386 20 5 DEBDMO O=C1N[C@H](C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)CO1 ZINC000932779467 799930729 /nfs/dbraw/zinc/93/07/29/799930729.db2.gz NYDRIBQUVXEGHQ-ZDUSSCGKSA-N 1 1 323.324 2.054 20 5 DEBDMO O=C1N[C@H](C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)CO1 ZINC000932783106 799932663 /nfs/dbraw/zinc/93/26/63/799932663.db2.gz YOKPQTDBHMFFNF-ZDUSSCGKSA-N 1 1 323.324 2.054 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933739500 800175414 /nfs/dbraw/zinc/17/54/14/800175414.db2.gz KRFQPNHFDFAPNK-WMLDXEAASA-N 1 1 319.405 2.377 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000934107630 800261219 /nfs/dbraw/zinc/26/12/19/800261219.db2.gz XLQXVNCGBGYPSP-QWHCGFSZSA-N 1 1 318.333 2.254 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000934107630 800261221 /nfs/dbraw/zinc/26/12/21/800261221.db2.gz XLQXVNCGBGYPSP-QWHCGFSZSA-N 1 1 318.333 2.254 20 5 DEBDMO CO[C@H]1CC[C@H]1[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934120461 800267526 /nfs/dbraw/zinc/26/75/26/800267526.db2.gz WYODEDSTOQVRQR-KGLIPLIRSA-N 1 1 307.350 2.033 20 5 DEBDMO COc1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)nc1 ZINC000934343574 800331451 /nfs/dbraw/zinc/33/14/51/800331451.db2.gz NNSPSFJYHVUYHZ-OAHLLOKOSA-N 1 1 317.349 2.032 20 5 DEBDMO COc1ccc([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)nc1 ZINC000934343574 800331457 /nfs/dbraw/zinc/33/14/57/800331457.db2.gz NNSPSFJYHVUYHZ-OAHLLOKOSA-N 1 1 317.349 2.032 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000935070672 800548778 /nfs/dbraw/zinc/54/87/78/800548778.db2.gz KEYUVJIEHDIDQW-VBNZEHGJSA-N 1 1 317.389 2.251 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935747953 800756198 /nfs/dbraw/zinc/75/61/98/800756198.db2.gz CASDZPSCEXKYDV-HZPDHXFCSA-N 1 1 315.373 2.076 20 5 DEBDMO C[N@@H+](CCCNC(=O)C(C)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001231152989 801592988 /nfs/dbraw/zinc/59/29/88/801592988.db2.gz CDHLZYLHTSOUDB-UHFFFAOYSA-N 1 1 315.320 2.188 20 5 DEBDMO CC[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001233745311 802195028 /nfs/dbraw/zinc/19/50/28/802195028.db2.gz LKAJZOKOEYNYAV-MRVPVSSYSA-N 1 1 305.256 2.482 20 5 DEBDMO C[N@@H+](CCCNC(=O)c1ccc[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001233879448 802232846 /nfs/dbraw/zinc/23/28/46/802232846.db2.gz CTKPECZFRLHUBR-UHFFFAOYSA-N 1 1 316.361 2.175 20 5 DEBDMO COC(=O)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC001234053354 802281842 /nfs/dbraw/zinc/28/18/42/802281842.db2.gz XVFXGZCCJSDHEZ-PJXYFTJBSA-N 1 1 320.345 2.385 20 5 DEBDMO COC(=O)c1ccc(CO[C@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001223412791 802788056 /nfs/dbraw/zinc/78/80/56/802788056.db2.gz FUGGEUODGTYGCD-AWEZNQCLSA-N 1 1 322.361 2.382 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CC[N@H+](C(C)C)C1 ZINC001223448115 802791422 /nfs/dbraw/zinc/79/14/22/802791422.db2.gz GDHSBYKJGFNIIU-AWEZNQCLSA-N 1 1 322.361 2.381 20 5 DEBDMO CC[N@H+]1CCC[C@@H](Oc2nc(Cl)nc(C)c2[N+](=O)[O-])C1 ZINC001227340722 803231617 /nfs/dbraw/zinc/23/16/17/803231617.db2.gz PXGPHODKTOXTST-SECBINFHSA-N 1 1 300.746 2.210 20 5 DEBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](CCF)CC2)c([N+](=O)[O-])c1 ZINC001227462220 803242752 /nfs/dbraw/zinc/24/27/52/803242752.db2.gz BGBPLNATNBMBPQ-UHFFFAOYSA-N 1 1 313.285 2.316 20 5 DEBDMO Cc1cc2[nH]c(O[C@H]3CCc4[nH+]ccn4C3)nc2cc1[N+](=O)[O-] ZINC001228672743 803391929 /nfs/dbraw/zinc/39/19/29/803391929.db2.gz AICBYJRKIKYCPJ-JTQLQIEISA-N 1 1 313.317 2.370 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001331288512 1149411050 /nfs/dbraw/zinc/41/10/50/1149411050.db2.gz IQISQJQLHLRPAE-SNVBAGLBSA-N 1 1 310.329 2.197 20 5 DEBDMO C[N@@H+](CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001335384640 1150404580 /nfs/dbraw/zinc/40/45/80/1150404580.db2.gz PSJIFNXMUPIDBM-QGZVFWFLSA-N 1 1 321.421 2.482 20 5 DEBDMO CN(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001335384640 1150404585 /nfs/dbraw/zinc/40/45/85/1150404585.db2.gz PSJIFNXMUPIDBM-QGZVFWFLSA-N 1 1 321.421 2.482 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001457419381 1057980273 /nfs/dbraw/zinc/98/02/73/1057980273.db2.gz WPOVYRXFGDXPLJ-HRCADAONSA-N 1 1 317.389 2.251 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](c3cnccn3)C2)c1 ZINC001460858084 1058526208 /nfs/dbraw/zinc/52/62/08/1058526208.db2.gz NFSOGDZOCGXHND-ZDUSSCGKSA-N 1 1 314.345 2.253 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001467033523 1059570910 /nfs/dbraw/zinc/57/09/10/1059570910.db2.gz VAPFYMPZJALNJW-GFCCVEGCSA-N 1 1 321.381 2.123 20 5 DEBDMO Cc1c(C(=O)N2CC[N@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001472580960 1060543857 /nfs/dbraw/zinc/54/38/57/1060543857.db2.gz GBCGSFQTICKVCI-LLVKDONJSA-N 1 1 303.362 2.212 20 5 DEBDMO Cc1c(C(=O)N2CC[N@@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001472580960 1060543879 /nfs/dbraw/zinc/54/38/79/1060543879.db2.gz GBCGSFQTICKVCI-LLVKDONJSA-N 1 1 303.362 2.212 20 5 DEBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c2ccccc21 ZINC001472893838 1060604460 /nfs/dbraw/zinc/60/44/60/1060604460.db2.gz DHEIJFGZMLNBHA-RYUDHWBXSA-N 1 1 316.336 2.375 20 5 DEBDMO C/C=C(\C)C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001494540711 1064304299 /nfs/dbraw/zinc/30/42/99/1064304299.db2.gz IFBGXNQLYCKZIN-KGVSQERTSA-N 1 1 303.362 2.109 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC001621569631 1078177852 /nfs/dbraw/zinc/17/78/52/1078177852.db2.gz AQMJJGWXBBHEOD-WCFLWFBJSA-N 1 1 316.361 2.166 20 5 DEBDMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C)CC1 ZINC001496708825 1065663625 /nfs/dbraw/zinc/66/36/25/1065663625.db2.gz AIJFDSLTEULFGW-UHFFFAOYSA-N 1 1 305.378 2.285 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001625594937 1078248524 /nfs/dbraw/zinc/24/85/24/1078248524.db2.gz QSQZBNGANYSWND-WCQYABFASA-N 1 1 320.393 2.148 20 5 DEBDMO C[C@H](NC(=O)CC[N@H+]1CC[C@@H](F)C1)c1ccc([N+](=O)[O-])cc1 ZINC001634545332 1078430978 /nfs/dbraw/zinc/43/09/78/1078430978.db2.gz KXKIGJAKENYODB-WCQYABFASA-N 1 1 309.341 2.206 20 5 DEBDMO Cc1cncc(NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC001579824470 1067432516 /nfs/dbraw/zinc/43/25/16/1067432516.db2.gz CLPAHFMMWRAQHK-OAHLLOKOSA-N 1 1 300.318 2.111 20 5 DEBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC001640449750 1078661812 /nfs/dbraw/zinc/66/18/12/1078661812.db2.gz QFFMIRDZGYINLM-LLVKDONJSA-N 1 1 323.422 2.471 20 5 DEBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC1CCCCC1 ZINC001480974034 1079018419 /nfs/dbraw/zinc/01/84/19/1079018419.db2.gz DONDXIIEVZQKRS-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC1CCCCC1 ZINC001480974034 1079018426 /nfs/dbraw/zinc/01/84/26/1079018426.db2.gz DONDXIIEVZQKRS-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC1CCCCC1 ZINC001480974034 1079018431 /nfs/dbraw/zinc/01/84/31/1079018431.db2.gz DONDXIIEVZQKRS-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO Cc1cccnc1[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001560221337 1075134043 /nfs/dbraw/zinc/13/40/43/1075134043.db2.gz SHJYVGJYQLJTJF-NSHDSACASA-N 1 1 314.345 2.248 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001586892352 1076407757 /nfs/dbraw/zinc/40/77/57/1076407757.db2.gz GBABHYJJSRVLSE-CYBMUJFWSA-N 1 1 321.377 2.118 20 5 DEBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001590261353 1076603189 /nfs/dbraw/zinc/60/31/89/1076603189.db2.gz NAAYFRNRXCIJRJ-MNOVXSKESA-N 1 1 316.365 2.395 20 5 DEBDMO CCC[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001590628353 1076662217 /nfs/dbraw/zinc/66/22/17/1076662217.db2.gz ZGTFEKGXZOOGPV-UHFFFAOYSA-N 1 1 302.338 2.149 20 5 DEBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC001593466461 1077005606 /nfs/dbraw/zinc/00/56/06/1077005606.db2.gz CPHMTYZELCYMCO-GFCCVEGCSA-N 1 1 314.349 2.007 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001595333408 1077060716 /nfs/dbraw/zinc/06/07/16/1077060716.db2.gz ATPSABYNLYOIJZ-HZMBPMFUSA-N 1 1 321.352 2.255 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001608182357 1077604355 /nfs/dbraw/zinc/60/43/55/1077604355.db2.gz JXRKOVASTPREGE-WFASDCNBSA-N 1 1 305.378 2.251 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)(C)C1 ZINC001652488237 1079878605 /nfs/dbraw/zinc/87/86/05/1079878605.db2.gz MTLSPOADSBQNNJ-LBPRGKRZSA-N 1 1 311.769 2.318 20 5 DEBDMO C[C@H](CN1CCOCC1)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001658393111 1080207404 /nfs/dbraw/zinc/20/74/04/1080207404.db2.gz TZIYCEFRTGPSOS-HNNXBMFYSA-N 1 1 321.421 2.037 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001670464886 1082142393 /nfs/dbraw/zinc/14/23/93/1082142393.db2.gz YNAUMIURKWLNRU-LBPRGKRZSA-N 1 1 322.365 2.161 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@H](CF)C3)n2)cc1 ZINC001337169822 1142701965 /nfs/dbraw/zinc/70/19/65/1142701965.db2.gz QZPWZZXDJZMMJE-LLVKDONJSA-N 1 1 305.313 2.102 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC001337433212 1142752205 /nfs/dbraw/zinc/75/22/05/1142752205.db2.gz XKUOEHFYGTVXEX-SGIREYDYSA-N 1 1 312.373 2.317 20 5 DEBDMO CCc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1[N+](=O)[O-] ZINC001337834546 1142804357 /nfs/dbraw/zinc/80/43/57/1142804357.db2.gz PXOIQPYROJILDK-QLFBSQMISA-N 1 1 317.389 2.227 20 5 DEBDMO CC(C)C[C@@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001338447459 1142856533 /nfs/dbraw/zinc/85/65/33/1142856533.db2.gz BMLLQKCGHASKIG-HOTGVXAUSA-N 1 1 309.410 2.194 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2nn(C)cc2C1 ZINC001254559804 1143248008 /nfs/dbraw/zinc/24/80/08/1143248008.db2.gz NAFVMHVNPAALOI-LBPRGKRZSA-N 1 1 300.362 2.318 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@](F)(CO)CC1)C2 ZINC001254593937 1143271796 /nfs/dbraw/zinc/27/17/96/1143271796.db2.gz OEFFIGDJTTXZFD-HZPDHXFCSA-N 1 1 308.353 2.249 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC001353285535 1151821553 /nfs/dbraw/zinc/82/15/53/1151821553.db2.gz ODADPSNKRKPDOD-XDTLVQLUSA-N 1 1 323.780 2.318 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001353394980 1151828186 /nfs/dbraw/zinc/82/81/86/1151828186.db2.gz KVOVEAKHHCGIIM-SNVBAGLBSA-N 1 1 310.329 2.197 20 5 DEBDMO C[C@@H]1Cc2n[nH]cc2C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001308073452 1147445568 /nfs/dbraw/zinc/44/55/68/1147445568.db2.gz GXSDOTHHAZRPRG-GFCCVEGCSA-N 1 1 316.361 2.391 20 5 DEBDMO C[NH+](C)[C@@H]1CCCC[C@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001325871512 1148011700 /nfs/dbraw/zinc/01/17/00/1148011700.db2.gz PBWQKMNEGILPRG-BZUAXINKSA-N 1 1 307.394 2.091 20 5 DEBDMO COC(=O)CC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC001326914647 1148289394 /nfs/dbraw/zinc/28/93/94/1148289394.db2.gz HNYSCDRKRSSPAF-UHFFFAOYSA-N 1 1 310.350 2.377 20 5 DEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccs1 ZINC000179313283 282223790 /nfs/dbraw/zinc/22/37/90/282223790.db2.gz KXUWPGXXXFKBAZ-UHFFFAOYSA-N 1 1 307.375 2.340 20 5 DEBDMO C[C@H](c1ccccc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090511744 185299600 /nfs/dbraw/zinc/29/96/00/185299600.db2.gz YRQBFEZPIHLABU-CYBMUJFWSA-N 1 1 301.346 2.450 20 5 DEBDMO CC(C)CC[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247300449 534955429 /nfs/dbraw/zinc/95/54/29/534955429.db2.gz UQRJTPSUFADFFV-UKRRQHHQSA-N 1 1 310.398 2.053 20 5 DEBDMO CCOC(=O)c1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000615496270 362621317 /nfs/dbraw/zinc/62/13/17/362621317.db2.gz PNPOZNNOONMELA-RYUDHWBXSA-N 1 1 321.377 2.300 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272630029 210032057 /nfs/dbraw/zinc/03/20/57/210032057.db2.gz NBSWRTKLSOZVNI-SWLSCSKDSA-N 1 1 303.362 2.069 20 5 DEBDMO CCOCCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272530086 209942713 /nfs/dbraw/zinc/94/27/13/209942713.db2.gz MSXSESNPPFBODU-HNNXBMFYSA-N 1 1 318.377 2.434 20 5 DEBDMO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279920669 215238068 /nfs/dbraw/zinc/23/80/68/215238068.db2.gz WFAJOWUCETVRBS-DVOMOZLQSA-N 1 1 306.362 2.363 20 5 DEBDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279920669 215238073 /nfs/dbraw/zinc/23/80/73/215238073.db2.gz WFAJOWUCETVRBS-DVOMOZLQSA-N 1 1 306.362 2.363 20 5 DEBDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000287090048 219306255 /nfs/dbraw/zinc/30/62/55/219306255.db2.gz XAIJCWQSZGKBLL-AWEZNQCLSA-N 1 1 307.350 2.305 20 5 DEBDMO CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152469737 186076694 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/nfs/dbraw/zinc/38/19/49/199381949.db2.gz CJLKALRCBLXZDV-UHFFFAOYSA-N 1 1 311.769 2.336 20 5 DEBDMO CCCC[N@@H+](CCCO)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182159572 199395322 /nfs/dbraw/zinc/39/53/22/199395322.db2.gz MNWXRVOJAPMHHN-ZDUSSCGKSA-N 1 1 323.393 2.406 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000174873859 198396330 /nfs/dbraw/zinc/39/63/30/198396330.db2.gz ICODAEXWMZHGPZ-OAHLLOKOSA-N 1 1 300.362 2.356 20 5 DEBDMO CCCC[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182168498 199397662 /nfs/dbraw/zinc/39/76/62/199397662.db2.gz DUNIOSJJLHYTSZ-UHFFFAOYSA-N 1 1 300.380 2.100 20 5 DEBDMO CCCC[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182168498 199397663 /nfs/dbraw/zinc/39/76/63/199397663.db2.gz DUNIOSJJLHYTSZ-UHFFFAOYSA-N 1 1 300.380 2.100 20 5 DEBDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000030270078 354121765 /nfs/dbraw/zinc/12/17/65/354121765.db2.gz CKYULLAWERGKIU-JTQLQIEISA-N 1 1 323.349 2.382 20 5 DEBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000334078417 283022792 /nfs/dbraw/zinc/02/27/92/283022792.db2.gz NBKHRLKFRIZMQI-GWCFXTLKSA-N 1 1 321.377 2.124 20 5 DEBDMO C[C@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000072871372 354926422 /nfs/dbraw/zinc/92/64/22/354926422.db2.gz ZDPXBUUSPLTDOI-TXEJJXNPSA-N 1 1 319.361 2.481 20 5 DEBDMO Cc1ccnc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074772997 355049084 /nfs/dbraw/zinc/04/90/84/355049084.db2.gz JNVQCUDLCNPWPQ-CQSZACIVSA-N 1 1 304.394 2.466 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1CCO ZINC000078668317 355273339 /nfs/dbraw/zinc/27/33/39/355273339.db2.gz NXLRJSCUTRIDTK-ZDUSSCGKSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1CCO ZINC000078668317 355273343 /nfs/dbraw/zinc/27/33/43/355273343.db2.gz NXLRJSCUTRIDTK-ZDUSSCGKSA-N 1 1 321.377 2.079 20 5 DEBDMO C[N@@H+](CCCNc1ncc([N+](=O)[O-])c(N)n1)C1CCCCC1 ZINC000079865913 355333782 /nfs/dbraw/zinc/33/37/82/355333782.db2.gz RURFDUDCHSGLAW-UHFFFAOYSA-N 1 1 308.386 2.034 20 5 DEBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H](O)C1CC1 ZINC000089908893 355546436 /nfs/dbraw/zinc/54/64/36/355546436.db2.gz VOFBNURNTLUEEU-OAHLLOKOSA-N 1 1 317.345 2.453 20 5 DEBDMO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H](O)C1CC1 ZINC000089908893 355546439 /nfs/dbraw/zinc/54/64/39/355546439.db2.gz VOFBNURNTLUEEU-OAHLLOKOSA-N 1 1 317.345 2.453 20 5 DEBDMO CCNC(=O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000102419935 355712209 /nfs/dbraw/zinc/71/22/09/355712209.db2.gz HTYKKUZSCOSKOP-UHFFFAOYSA-N 1 1 303.318 2.081 20 5 DEBDMO C[C@H](O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093481929 355683163 /nfs/dbraw/zinc/68/31/63/355683163.db2.gz NTMBSCYZILDYBH-VIFPVBQESA-N 1 1 304.293 2.399 20 5 DEBDMO C[C@H](O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093481929 355683169 /nfs/dbraw/zinc/68/31/69/355683169.db2.gz NTMBSCYZILDYBH-VIFPVBQESA-N 1 1 304.293 2.399 20 5 DEBDMO COCCO[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000179336183 356021083 /nfs/dbraw/zinc/02/10/83/356021083.db2.gz UCFTYLUPDUDNFB-MRXNPFEDSA-N 1 1 324.377 2.101 20 5 DEBDMO COCCO[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000179366104 356023157 /nfs/dbraw/zinc/02/31/57/356023157.db2.gz ONSWNMDVOWULLZ-MRXNPFEDSA-N 1 1 308.378 2.265 20 5 DEBDMO CC[C@H](C)C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181866975 356098163 /nfs/dbraw/zinc/09/81/63/356098163.db2.gz DVWLUEMSQGZIDV-LBPRGKRZSA-N 1 1 314.407 2.346 20 5 DEBDMO CC[C@H](C)C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181866975 356098168 /nfs/dbraw/zinc/09/81/68/356098168.db2.gz DVWLUEMSQGZIDV-LBPRGKRZSA-N 1 1 314.407 2.346 20 5 DEBDMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000182621643 356134802 /nfs/dbraw/zinc/13/48/02/356134802.db2.gz QNYVJTMDFCNADB-NSHDSACASA-N 1 1 310.350 2.377 20 5 DEBDMO C[C@@H]1C[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000316863560 356431649 /nfs/dbraw/zinc/43/16/49/356431649.db2.gz VTALHZYRKBKIIM-MNOVXSKESA-N 1 1 301.350 2.433 20 5 DEBDMO C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000320061200 356443756 /nfs/dbraw/zinc/44/37/56/356443756.db2.gz UTRFPJXEMCOKFK-AWEZNQCLSA-N 1 1 320.437 2.271 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425500791 283210024 /nfs/dbraw/zinc/21/00/24/283210024.db2.gz MNYMUBMYXHGZSO-AWEZNQCLSA-N 1 1 317.349 2.032 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425500791 283210026 /nfs/dbraw/zinc/21/00/26/283210026.db2.gz MNYMUBMYXHGZSO-AWEZNQCLSA-N 1 1 317.349 2.032 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc(CCc2c[nH+]cn2C)n1 ZINC000578262465 356788391 /nfs/dbraw/zinc/78/83/91/356788391.db2.gz ITHWNOXGTRLPDY-UHFFFAOYSA-N 1 1 313.317 2.472 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000589209780 357455287 /nfs/dbraw/zinc/45/52/87/357455287.db2.gz SWASMQBQRNQDIM-VDBIKXPHSA-N 1 1 303.362 2.195 20 5 DEBDMO CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000590659602 357574021 /nfs/dbraw/zinc/57/40/21/357574021.db2.gz VHGRDFSNLUUMHH-SMDDNHRTSA-N 1 1 322.361 2.223 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605132 357566561 /nfs/dbraw/zinc/56/65/61/357566561.db2.gz AGMLEFMQOMKVSI-KRWDZBQOSA-N 1 1 321.421 2.260 20 5 DEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000591062098 357668042 /nfs/dbraw/zinc/66/80/42/357668042.db2.gz VHQKXSUBLPHMNH-CYBMUJFWSA-N 1 1 303.362 2.316 20 5 DEBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCCN1 ZINC000591275606 357697673 /nfs/dbraw/zinc/69/76/73/357697673.db2.gz IPKGUQJNSHLWKU-OCCSQVGLSA-N 1 1 320.393 2.044 20 5 DEBDMO CC[N@@H+](CCSC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000592197415 357849116 /nfs/dbraw/zinc/84/91/16/357849116.db2.gz CCEBOKYESAKRSO-CYBMUJFWSA-N 1 1 314.407 2.019 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C)([NH3+])CC1 ZINC000592484978 357884884 /nfs/dbraw/zinc/88/48/84/357884884.db2.gz LROKQBUWJOOUOL-UHFFFAOYSA-N 1 1 320.393 2.045 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594199222 358222360 /nfs/dbraw/zinc/22/23/60/358222360.db2.gz HWGWRYAUDRHLPK-CABCVRRESA-N 1 1 303.362 2.342 20 5 DEBDMO CCn1nccc1CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352708349 146586940 /nfs/dbraw/zinc/58/69/40/146586940.db2.gz WHPSDHPLPBRBOJ-UHFFFAOYSA-N 1 1 316.361 2.248 20 5 DEBDMO CCn1nccc1CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352708349 146586942 /nfs/dbraw/zinc/58/69/42/146586942.db2.gz WHPSDHPLPBRBOJ-UHFFFAOYSA-N 1 1 316.361 2.248 20 5 DEBDMO C[C@@H]1C[NH+](CCN(C)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000595287494 358412516 /nfs/dbraw/zinc/41/25/16/358412516.db2.gz IVVBNPSPAJABTI-ZIAGYGMSSA-N 1 1 307.394 2.136 20 5 DEBDMO C[C@@H]1CN(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000595287494 358412519 /nfs/dbraw/zinc/41/25/19/358412519.db2.gz IVVBNPSPAJABTI-ZIAGYGMSSA-N 1 1 307.394 2.136 20 5 DEBDMO C[C@@H]1CN(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000595287494 358412523 /nfs/dbraw/zinc/41/25/23/358412523.db2.gz IVVBNPSPAJABTI-ZIAGYGMSSA-N 1 1 307.394 2.136 20 5 DEBDMO CCOC(=O)CC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595299599 358416994 /nfs/dbraw/zinc/41/69/94/358416994.db2.gz VLWULQKBOZJSGI-UHFFFAOYSA-N 1 1 311.338 2.056 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000595398354 358439377 /nfs/dbraw/zinc/43/93/77/358439377.db2.gz TXGMHZIOQMZANQ-UHFFFAOYSA-N 1 1 319.340 2.238 20 5 DEBDMO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595827465 358556966 /nfs/dbraw/zinc/55/69/66/358556966.db2.gz CBURXFJGXFEEQX-LBPRGKRZSA-N 1 1 321.352 2.178 20 5 DEBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595827465 358556968 /nfs/dbraw/zinc/55/69/68/358556968.db2.gz CBURXFJGXFEEQX-LBPRGKRZSA-N 1 1 321.352 2.178 20 5 DEBDMO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595827463 358557032 /nfs/dbraw/zinc/55/70/32/358557032.db2.gz CBURXFJGXFEEQX-GFCCVEGCSA-N 1 1 321.352 2.178 20 5 DEBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595827463 358557034 /nfs/dbraw/zinc/55/70/34/358557034.db2.gz CBURXFJGXFEEQX-GFCCVEGCSA-N 1 1 321.352 2.178 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595702746 358528481 /nfs/dbraw/zinc/52/84/81/358528481.db2.gz JOXHNQBAQJDSOT-OAHLLOKOSA-N 1 1 317.320 2.343 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595702746 358528487 /nfs/dbraw/zinc/52/84/87/358528487.db2.gz JOXHNQBAQJDSOT-OAHLLOKOSA-N 1 1 317.320 2.343 20 5 DEBDMO O=c1[nH]ccc(NCC[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000596087454 358607760 /nfs/dbraw/zinc/60/77/60/358607760.db2.gz FOWUVPSOZZRHOV-UHFFFAOYSA-N 1 1 320.374 2.227 20 5 DEBDMO C[C@H](NCC1([NH+](C)C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173416211 299281217 /nfs/dbraw/zinc/28/12/17/299281217.db2.gz YOIFQJCMVIIHGP-ZDUSSCGKSA-N 1 1 307.394 2.356 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000597855033 359021856 /nfs/dbraw/zinc/02/18/56/359021856.db2.gz PJJDWSMNYPCBLS-GFCCVEGCSA-N 1 1 305.378 2.445 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598342550 359170655 /nfs/dbraw/zinc/17/06/55/359170655.db2.gz KKZBHQUFCCXFKX-LLVKDONJSA-N 1 1 311.769 2.462 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C)CC2(C)COC2)cccc1[N+](=O)[O-] ZINC000599571537 359529718 /nfs/dbraw/zinc/52/97/18/359529718.db2.gz KNODCJJILVNLPO-UHFFFAOYSA-N 1 1 321.377 2.200 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1CNC(C)=O ZINC000599689310 359573729 /nfs/dbraw/zinc/57/37/29/359573729.db2.gz ITKJFPMNUVJWLQ-HNNXBMFYSA-N 1 1 321.377 2.094 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1CNC(C)=O ZINC000599689310 359573732 /nfs/dbraw/zinc/57/37/32/359573732.db2.gz ITKJFPMNUVJWLQ-HNNXBMFYSA-N 1 1 321.377 2.094 20 5 DEBDMO O=C(C[N@@H+]1CCCC2(CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000186956655 200037600 /nfs/dbraw/zinc/03/76/00/200037600.db2.gz LODVDXGCHAYFBC-UHFFFAOYSA-N 1 1 315.373 2.360 20 5 DEBDMO O=C(C[N@H+]1CCCC2(CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000186956655 200037602 /nfs/dbraw/zinc/03/76/02/200037602.db2.gz LODVDXGCHAYFBC-UHFFFAOYSA-N 1 1 315.373 2.360 20 5 DEBDMO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000600310309 359719052 /nfs/dbraw/zinc/71/90/52/359719052.db2.gz HWOHDVCJLPPRBV-ZDUSSCGKSA-N 1 1 305.378 2.365 20 5 DEBDMO C[N@H+]1CCCC[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000600313791 359719221 /nfs/dbraw/zinc/71/92/21/359719221.db2.gz JZLZTWVLZOXORG-GFCCVEGCSA-N 1 1 323.368 2.125 20 5 DEBDMO CN(CCOCC[NH3+])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000600773447 359825432 /nfs/dbraw/zinc/82/54/32/359825432.db2.gz IBSNZNNHEUREFS-UHFFFAOYSA-N 1 1 319.361 2.262 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601000017 359888830 /nfs/dbraw/zinc/88/88/30/359888830.db2.gz KXBSFQQUABWSOH-MNOVXSKESA-N 1 1 307.325 2.091 20 5 DEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601002530 359889711 /nfs/dbraw/zinc/88/97/11/359889711.db2.gz PFDQIXGYHHIVQC-SNVBAGLBSA-N 1 1 320.324 2.305 20 5 DEBDMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000601185529 359956724 /nfs/dbraw/zinc/95/67/24/359956724.db2.gz WNTVOHZAOHBDHK-CYBMUJFWSA-N 1 1 316.361 2.061 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H](CO)CC(F)(F)F)c2c1 ZINC000601134612 359935553 /nfs/dbraw/zinc/93/55/53/359935553.db2.gz FJMKLJVELBUOSJ-QMMMGPOBSA-N 1 1 315.251 2.290 20 5 DEBDMO CC(C)C(=O)NCCN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601136606 359936780 /nfs/dbraw/zinc/93/67/80/359936780.db2.gz VFHWWDDXADTGAC-UHFFFAOYSA-N 1 1 316.361 2.351 20 5 DEBDMO Cc1ccc(C[N@@H+]2CC[C@H](Nc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000601249644 359980923 /nfs/dbraw/zinc/98/09/23/359980923.db2.gz DKZFFGPJJNUITR-AWEZNQCLSA-N 1 1 315.377 2.323 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000601253451 359982617 /nfs/dbraw/zinc/98/26/17/359982617.db2.gz OFCRPOTZEGZMPU-NEPJUHHUSA-N 1 1 304.350 2.010 20 5 DEBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000601555794 360070612 /nfs/dbraw/zinc/07/06/12/360070612.db2.gz AMZNBVSLLARKSO-UHFFFAOYSA-N 1 1 318.308 2.197 20 5 DEBDMO C[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C[N@H+]1C1CC1 ZINC000602567595 360436126 /nfs/dbraw/zinc/43/61/26/360436126.db2.gz HKDLRBOYUOFJFX-WDEREUQCSA-N 1 1 316.361 2.451 20 5 DEBDMO C[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CN1C1CC1 ZINC000602567595 360436130 /nfs/dbraw/zinc/43/61/30/360436130.db2.gz HKDLRBOYUOFJFX-WDEREUQCSA-N 1 1 316.361 2.451 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000602590930 360447055 /nfs/dbraw/zinc/44/70/55/360447055.db2.gz LKNIMXLOMDJHON-RISCZKNCSA-N 1 1 316.361 2.262 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(CNCC[N@H+]3CC=CCC3)nc2c1 ZINC000602638216 360471688 /nfs/dbraw/zinc/47/16/88/360471688.db2.gz NWCPITJKXIGOEF-UHFFFAOYSA-N 1 1 302.334 2.088 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(CNCC[N@@H+]3CC=CCC3)nc2c1 ZINC000602638216 360471693 /nfs/dbraw/zinc/47/16/93/360471693.db2.gz NWCPITJKXIGOEF-UHFFFAOYSA-N 1 1 302.334 2.088 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1nc2ccccc2o1 ZINC000602795613 360559452 /nfs/dbraw/zinc/55/94/52/360559452.db2.gz MTCOHMAGEJXVNX-UHFFFAOYSA-N 1 1 315.333 2.373 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1nc2ccccc2o1 ZINC000602795613 360559454 /nfs/dbraw/zinc/55/94/54/360559454.db2.gz MTCOHMAGEJXVNX-UHFFFAOYSA-N 1 1 315.333 2.373 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1c(F)cncc1F ZINC000602830003 360577608 /nfs/dbraw/zinc/57/76/08/360577608.db2.gz SZJOHQSHLCMLMH-MRVPVSSYSA-N 1 1 311.292 2.124 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC=C(c2ccccn2)C1 ZINC000602840858 360583804 /nfs/dbraw/zinc/58/38/04/360583804.db2.gz OYJHFAAKFOYSKL-UHFFFAOYSA-N 1 1 313.361 2.284 20 5 DEBDMO CC[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602983988 360654944 /nfs/dbraw/zinc/65/49/44/360654944.db2.gz YVFBGTCDSGMCHQ-MRXNPFEDSA-N 1 1 321.377 2.160 20 5 DEBDMO O=[N+]([O-])c1ncccc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000603837296 360864121 /nfs/dbraw/zinc/86/41/21/360864121.db2.gz UGXNGLJOMVHYEY-UHFFFAOYSA-N 1 1 320.393 2.437 20 5 DEBDMO CCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000604435964 360905827 /nfs/dbraw/zinc/90/58/27/360905827.db2.gz SDCKHGIZQOOGMD-DOMZBBRYSA-N 1 1 321.377 2.423 20 5 DEBDMO CCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000604435964 360905833 /nfs/dbraw/zinc/90/58/33/360905833.db2.gz SDCKHGIZQOOGMD-DOMZBBRYSA-N 1 1 321.377 2.423 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000292617682 223172972 /nfs/dbraw/zinc/17/29/72/223172972.db2.gz FUSPFSRKFJYDPK-HNNXBMFYSA-N 1 1 306.362 2.353 20 5 DEBDMO Cc1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292754511 223230381 /nfs/dbraw/zinc/23/03/81/223230381.db2.gz JZZIZILTYGDVFI-MRXNPFEDSA-N 1 1 318.377 2.463 20 5 DEBDMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000609541027 361319118 /nfs/dbraw/zinc/31/91/18/361319118.db2.gz WVLZALOQMVXBJX-CQSZACIVSA-N 1 1 303.362 2.182 20 5 DEBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000609541027 361319124 /nfs/dbraw/zinc/31/91/24/361319124.db2.gz WVLZALOQMVXBJX-CQSZACIVSA-N 1 1 303.362 2.182 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609848931 361344374 /nfs/dbraw/zinc/34/43/74/361344374.db2.gz QHFAPYORWDEQIY-OLZOCXBDSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CCO)C1 ZINC000609848931 361344380 /nfs/dbraw/zinc/34/43/80/361344380.db2.gz QHFAPYORWDEQIY-OLZOCXBDSA-N 1 1 321.377 2.016 20 5 DEBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000609631759 361331708 /nfs/dbraw/zinc/33/17/08/361331708.db2.gz UVVNTXYMHZVXEB-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO CCC1(O)CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611274280 361569538 /nfs/dbraw/zinc/56/95/38/361569538.db2.gz KVXZIUDWPPXEQN-UHFFFAOYSA-N 1 1 322.361 2.103 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000619567140 363828069 /nfs/dbraw/zinc/82/80/69/363828069.db2.gz UUWQZIPGNVNTFX-OAHLLOKOSA-N 1 1 319.405 2.470 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000619578385 363832964 /nfs/dbraw/zinc/83/29/64/363832964.db2.gz HCXGYACJXOCQMP-CYBMUJFWSA-N 1 1 305.378 2.460 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275440445 212332889 /nfs/dbraw/zinc/33/28/89/212332889.db2.gz KEPFSLCJIGFTEK-FZMZJTMJSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275440445 212332892 /nfs/dbraw/zinc/33/28/92/212332892.db2.gz KEPFSLCJIGFTEK-FZMZJTMJSA-N 1 1 321.377 2.015 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000092218035 193174758 /nfs/dbraw/zinc/17/47/58/193174758.db2.gz INKXHQAZDRTPFE-INIZCTEOSA-N 1 1 319.405 2.200 20 5 DEBDMO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NC1CC1 ZINC000451579731 243150029 /nfs/dbraw/zinc/15/00/29/243150029.db2.gz YUCHXSCXRDBXEJ-ZDUSSCGKSA-N 1 1 303.362 2.053 20 5 DEBDMO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NC1CC1 ZINC000451579731 243150038 /nfs/dbraw/zinc/15/00/38/243150038.db2.gz YUCHXSCXRDBXEJ-ZDUSSCGKSA-N 1 1 303.362 2.053 20 5 DEBDMO CO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451566336 243123362 /nfs/dbraw/zinc/12/33/62/243123362.db2.gz MASZNAGEHZFRSK-WFASDCNBSA-N 1 1 321.377 2.280 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc(O)c3)C2)nc1 ZINC000093534686 193266732 /nfs/dbraw/zinc/26/67/32/193266732.db2.gz SKSQHHJXCTWTDD-CYBMUJFWSA-N 1 1 314.345 2.382 20 5 DEBDMO COC1(C)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000271729942 209162901 /nfs/dbraw/zinc/16/29/01/209162901.db2.gz MUWJMPXHAGCNPO-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282518713 217056693 /nfs/dbraw/zinc/05/66/93/217056693.db2.gz PIRLNKOUJXNEPM-INIZCTEOSA-N 1 1 319.405 2.470 20 5 DEBDMO Nc1cc(N[C@H]2CC[N@H+](C3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC001354233781 1151879300 /nfs/dbraw/zinc/87/93/00/1151879300.db2.gz BRXGLCVVZQPKAR-NSHDSACASA-N 1 1 305.382 2.391 20 5 DEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000456337788 247101552 /nfs/dbraw/zinc/10/15/52/247101552.db2.gz CEIDQUFUFTZGEQ-ZDUSSCGKSA-N 1 1 309.341 2.290 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000456337788 247101558 /nfs/dbraw/zinc/10/15/58/247101558.db2.gz CEIDQUFUFTZGEQ-ZDUSSCGKSA-N 1 1 309.341 2.290 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000456385468 247146086 /nfs/dbraw/zinc/14/60/86/247146086.db2.gz QZYICUYARLWYRH-OAHLLOKOSA-N 1 1 319.405 2.470 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458156987 248172110 /nfs/dbraw/zinc/17/21/10/248172110.db2.gz BYXFBKOAWJYLLH-ZDUSSCGKSA-N 1 1 305.378 2.365 20 5 DEBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000491576050 248942922 /nfs/dbraw/zinc/94/29/22/248942922.db2.gz LSCBQOHNTAJCGQ-LEPFTWFBSA-N 1 1 315.373 2.209 20 5 DEBDMO C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000492542672 249085681 /nfs/dbraw/zinc/08/56/81/249085681.db2.gz ZCDSDJDPWUKTOY-YBJDMEARSA-N 1 1 315.373 2.375 20 5 DEBDMO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000493298294 249272020 /nfs/dbraw/zinc/27/20/20/249272020.db2.gz VBFKEHNLLYFHNO-IMVYOHCJSA-N 1 1 303.362 2.159 20 5 DEBDMO CCOc1cc(C[N@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000493570610 249326959 /nfs/dbraw/zinc/32/69/59/249326959.db2.gz ABAHDVLJTPBTAH-WCQYABFASA-N 1 1 322.361 2.377 20 5 DEBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273978454 211235204 /nfs/dbraw/zinc/23/52/04/211235204.db2.gz QGLJQMGYVMIJCN-VXGBXAGGSA-N 1 1 305.382 2.450 20 5 DEBDMO C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273927316 211182745 /nfs/dbraw/zinc/18/27/45/211182745.db2.gz GXGSHMWQBXSTIM-NSHDSACASA-N 1 1 323.368 2.079 20 5 DEBDMO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285184514 218323816 /nfs/dbraw/zinc/32/38/16/218323816.db2.gz BZNWARONGOAOBU-CHWSQXEVSA-N 1 1 307.394 2.372 20 5 DEBDMO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285184514 218323819 /nfs/dbraw/zinc/32/38/19/218323819.db2.gz BZNWARONGOAOBU-CHWSQXEVSA-N 1 1 307.394 2.372 20 5 DEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCCCCC1 ZINC000285208785 218334148 /nfs/dbraw/zinc/33/41/48/218334148.db2.gz DNQJSUNPAHOISM-UHFFFAOYSA-N 1 1 319.405 2.472 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCCCCC1 ZINC000285208785 218334150 /nfs/dbraw/zinc/33/41/50/218334150.db2.gz DNQJSUNPAHOISM-UHFFFAOYSA-N 1 1 319.405 2.472 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000110996758 194379387 /nfs/dbraw/zinc/37/93/87/194379387.db2.gz QEKAWKQXCYRSSX-GFCCVEGCSA-N 1 1 309.341 2.338 20 5 DEBDMO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000269217555 207334829 /nfs/dbraw/zinc/33/48/29/207334829.db2.gz YSIFDYROHXDJDX-GFCCVEGCSA-N 1 1 321.377 2.152 20 5 DEBDMO COc1cc(NCCc2c[nH+]cn2C)c([N+](=O)[O-])cc1OC ZINC000302123529 533034721 /nfs/dbraw/zinc/03/47/21/533034721.db2.gz HGWRZSMNHUSZTI-UHFFFAOYSA-N 1 1 306.322 2.000 20 5 DEBDMO C[N@@H+]1CCC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158656735 197291869 /nfs/dbraw/zinc/29/18/69/197291869.db2.gz NAJLAQSNVKWMPF-PBHICJAKSA-N 1 1 319.405 2.390 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158656735 197291871 /nfs/dbraw/zinc/29/18/71/197291871.db2.gz NAJLAQSNVKWMPF-PBHICJAKSA-N 1 1 319.405 2.390 20 5 DEBDMO CC(C)[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272897567 210287399 /nfs/dbraw/zinc/28/73/99/210287399.db2.gz CEFSSCNBXKTWQF-KBPBESRZSA-N 1 1 308.378 2.455 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000156133769 197089002 /nfs/dbraw/zinc/08/90/02/197089002.db2.gz ULNGOUHRWRCSSG-NSHDSACASA-N 1 1 324.381 2.455 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155594882 197070513 /nfs/dbraw/zinc/07/05/13/197070513.db2.gz WYBYHXCHPNCGJW-CABCVRRESA-N 1 1 317.389 2.460 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000155447425 197055493 /nfs/dbraw/zinc/05/54/93/197055493.db2.gz PLUWJPWCJUAFCJ-ZBFHGGJFSA-N 1 1 317.389 2.080 20 5 DEBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000155266758 197037466 /nfs/dbraw/zinc/03/74/66/197037466.db2.gz PMAQGBRCRSYJOO-LZGDYBNZSA-N 1 1 303.362 2.159 20 5 DEBDMO Cc1ccc([C@@H](C)NC[C@@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000289499069 221020506 /nfs/dbraw/zinc/02/05/06/221020506.db2.gz KJQVZPKEOQGUQB-IUODEOHRSA-N 1 1 307.394 2.009 20 5 DEBDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C2CC2)cc1[N+](=O)[O-] ZINC000289499069 221020511 /nfs/dbraw/zinc/02/05/11/221020511.db2.gz KJQVZPKEOQGUQB-IUODEOHRSA-N 1 1 307.394 2.009 20 5 DEBDMO C[N@@H+](CCC(N)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289538044 221051713 /nfs/dbraw/zinc/05/17/13/221051713.db2.gz HYMSUVTVTFIOOE-UHFFFAOYSA-N 1 1 303.318 2.162 20 5 DEBDMO COc1ccc(C[NH2+]Cc2ncccc2N(C)C)cc1[N+](=O)[O-] ZINC000289838271 221260585 /nfs/dbraw/zinc/26/05/85/221260585.db2.gz OTWVLCPUVHCBEW-UHFFFAOYSA-N 1 1 316.361 2.354 20 5 DEBDMO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000294955982 224337648 /nfs/dbraw/zinc/33/76/48/224337648.db2.gz BHNJXWVAHMMLQF-CQSZACIVSA-N 1 1 319.405 2.390 20 5 DEBDMO C[C@H]1CN(C2CC2)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000294955982 224337649 /nfs/dbraw/zinc/33/76/49/224337649.db2.gz BHNJXWVAHMMLQF-CQSZACIVSA-N 1 1 319.405 2.390 20 5 DEBDMO C[C@H]1CN(C2CC2)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000294955982 224337651 /nfs/dbraw/zinc/33/76/51/224337651.db2.gz BHNJXWVAHMMLQF-CQSZACIVSA-N 1 1 319.405 2.390 20 5 DEBDMO COC[C@@]1(C)CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000295038068 224395592 /nfs/dbraw/zinc/39/55/92/224395592.db2.gz DSPQNGXFPCDSLX-INIZCTEOSA-N 1 1 324.377 2.470 20 5 DEBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cnn(C)c1 ZINC000444682779 533470263 /nfs/dbraw/zinc/47/02/63/533470263.db2.gz BTNCVTRRRDOOPN-SECBINFHSA-N 1 1 300.322 2.055 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000355534029 133032181 /nfs/dbraw/zinc/03/21/81/133032181.db2.gz OMXODZJMJFIIHP-HNNXBMFYSA-N 1 1 305.378 2.428 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000356248772 133074386 /nfs/dbraw/zinc/07/43/86/133074386.db2.gz CMADWDGWVCNXGO-MRXNPFEDSA-N 1 1 321.352 2.292 20 5 DEBDMO C[C@H](Nc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358123041 133122455 /nfs/dbraw/zinc/12/24/55/133122455.db2.gz NLJHSIZMJNTUJT-NWDGAFQWSA-N 1 1 307.398 2.393 20 5 DEBDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000376549806 133299830 /nfs/dbraw/zinc/29/98/30/133299830.db2.gz BEDNJDHARNJNGB-GXTWGEPZSA-N 1 1 301.350 2.269 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000373279082 133385150 /nfs/dbraw/zinc/38/51/50/133385150.db2.gz RHMLWLHUGUNKIW-MRXNPFEDSA-N 1 1 306.362 2.340 20 5 DEBDMO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000564765934 292109155 /nfs/dbraw/zinc/10/91/55/292109155.db2.gz ORDKOKPQVKEQDN-OLZOCXBDSA-N 1 1 305.378 2.156 20 5 DEBDMO NC(=O)C[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255293831 145203762 /nfs/dbraw/zinc/20/37/62/145203762.db2.gz YJPUCYYIQWQACS-LLPBQKLSSA-N 1 1 303.362 2.195 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCO)Cc1cccnc1 ZINC000255578015 145204723 /nfs/dbraw/zinc/20/47/23/145204723.db2.gz NFJWQBIUHODHPF-DAXSKMNVSA-N 1 1 313.357 2.498 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCO)Cc1cccnc1 ZINC000255578015 145204725 /nfs/dbraw/zinc/20/47/25/145204725.db2.gz NFJWQBIUHODHPF-DAXSKMNVSA-N 1 1 313.357 2.498 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000255658319 145204934 /nfs/dbraw/zinc/20/49/34/145204934.db2.gz KOVVMHTTWFTCBM-BYPUDFOVSA-N 1 1 306.362 2.081 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000346661416 146119193 /nfs/dbraw/zinc/11/91/93/146119193.db2.gz VZPKFWDCENKPEG-UONOGXRCSA-N 1 1 307.394 2.044 20 5 DEBDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000348244966 146240392 /nfs/dbraw/zinc/24/03/92/146240392.db2.gz NZAZQNGBLCPFEZ-KOLCDFICSA-N 1 1 319.283 2.029 20 5 DEBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000371526385 148113416 /nfs/dbraw/zinc/11/34/16/148113416.db2.gz DNWSYXDLDMGDNR-QWHCGFSZSA-N 1 1 315.329 2.015 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374402598 148242260 /nfs/dbraw/zinc/24/22/60/148242260.db2.gz TVBYJRONHJVYJV-OLZOCXBDSA-N 1 1 306.362 2.462 20 5 DEBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000375387569 148365903 /nfs/dbraw/zinc/36/59/03/148365903.db2.gz OGDYNHQJZGMZRE-UHFFFAOYSA-N 1 1 300.318 2.058 20 5 DEBDMO CC[N@H+](CCO)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000071895806 401694055 /nfs/dbraw/zinc/69/40/55/401694055.db2.gz RBWVEMPJCBXLTI-UHFFFAOYSA-N 1 1 320.292 2.019 20 5 DEBDMO CC[N@@H+](CCO)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000071895806 401694057 /nfs/dbraw/zinc/69/40/57/401694057.db2.gz RBWVEMPJCBXLTI-UHFFFAOYSA-N 1 1 320.292 2.019 20 5 DEBDMO C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000071954225 401699240 /nfs/dbraw/zinc/69/92/40/401699240.db2.gz WDQQSUWUAIXBOJ-NEPJUHHUSA-N 1 1 320.393 2.226 20 5 DEBDMO C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000071954226 401699363 /nfs/dbraw/zinc/69/93/63/401699363.db2.gz WDQQSUWUAIXBOJ-RYUDHWBXSA-N 1 1 320.393 2.226 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000076293538 401789250 /nfs/dbraw/zinc/78/92/50/401789250.db2.gz DUNJJKDJUFEONW-CYBMUJFWSA-N 1 1 322.361 2.059 20 5 DEBDMO COCCC[N@@H+](C)CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000078372828 401848623 /nfs/dbraw/zinc/84/86/23/401848623.db2.gz XDKYNPVNQOFCAF-UHFFFAOYSA-N 1 1 309.366 2.178 20 5 DEBDMO COCCOC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000116885685 401863015 /nfs/dbraw/zinc/86/30/15/401863015.db2.gz FAUBAFIJHGLQTQ-UHFFFAOYSA-N 1 1 312.341 2.361 20 5 DEBDMO C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000087277202 401930112 /nfs/dbraw/zinc/93/01/12/401930112.db2.gz LUFVMAXLPLXLFD-LBPRGKRZSA-N 1 1 305.378 2.126 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088231207 401931891 /nfs/dbraw/zinc/93/18/91/401931891.db2.gz CHUIQHBLNZHILF-INIZCTEOSA-N 1 1 317.389 2.354 20 5 DEBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000046955102 401976435 /nfs/dbraw/zinc/97/64/35/401976435.db2.gz LTFPUBGGHDNTLP-OLZOCXBDSA-N 1 1 305.378 2.445 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000120559341 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DEBDMO CC[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246259370 402521436 /nfs/dbraw/zinc/52/14/36/402521436.db2.gz QMUGWEJUHGETGE-WFASDCNBSA-N 1 1 303.362 2.432 20 5 DEBDMO CO[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000170820896 402529213 /nfs/dbraw/zinc/52/92/13/402529213.db2.gz SRJIOWJJXILBMQ-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO CO[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000170820896 402529216 /nfs/dbraw/zinc/52/92/16/402529216.db2.gz SRJIOWJJXILBMQ-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO CCOc1cccc(NCCC[N@@H+](C)CCOC)c1[N+](=O)[O-] ZINC000189430433 402536691 /nfs/dbraw/zinc/53/66/91/402536691.db2.gz UFPCCUYVRWGMKY-UHFFFAOYSA-N 1 1 311.382 2.374 20 5 DEBDMO CC(C)C[C@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000248240763 402585372 /nfs/dbraw/zinc/58/53/72/402585372.db2.gz DXXRUZHDYHPOBW-CYBMUJFWSA-N 1 1 308.382 2.149 20 5 DEBDMO C[C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000254916127 402672381 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CO[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000285460584 403302070 /nfs/dbraw/zinc/30/20/70/403302070.db2.gz AMZWXEQRUBWHTF-CMPLNLGQSA-N 1 1 309.366 2.197 20 5 DEBDMO CO[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000285460584 403302073 /nfs/dbraw/zinc/30/20/73/403302073.db2.gz AMZWXEQRUBWHTF-CMPLNLGQSA-N 1 1 309.366 2.197 20 5 DEBDMO C[C@@H]1[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000342834929 403366244 /nfs/dbraw/zinc/36/62/44/403366244.db2.gz LYSSWQABAGXUIL-PSASIEDQSA-N 1 1 307.379 2.494 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292238741 403329427 /nfs/dbraw/zinc/32/94/27/403329427.db2.gz JHEPGUVTIPMENO-INIZCTEOSA-N 1 1 305.378 2.273 20 5 DEBDMO COc1cc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000293371368 403455374 /nfs/dbraw/zinc/45/53/74/403455374.db2.gz JFXSWHPQUOFDPN-PHIMTYICSA-N 1 1 311.357 2.267 20 5 DEBDMO CN(c1ccc([N+](=O)[O-])c(N)c1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286250927 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318.377 2.021 20 5 DEBDMO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286369202 403510153 /nfs/dbraw/zinc/51/01/53/403510153.db2.gz XPIRLSNBUHEYSR-MZBDJJRSSA-N 1 1 317.389 2.221 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000343448907 403595169 /nfs/dbraw/zinc/59/51/69/403595169.db2.gz CVTJOQDGHXMENF-JQWIXIFHSA-N 1 1 307.350 2.276 20 5 DEBDMO CC(C)(NC(=O)CCc1cnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000293831992 403575623 /nfs/dbraw/zinc/57/56/23/403575623.db2.gz BKKJKERFVYWKKE-UHFFFAOYSA-N 1 1 302.334 2.302 20 5 DEBDMO CCOC(=O)c1ccnc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343488493 403610545 /nfs/dbraw/zinc/61/05/45/403610545.db2.gz YJTOQOKZKRFZMB-ZYHUDNBSSA-N 1 1 322.365 2.061 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000347259762 403639948 /nfs/dbraw/zinc/63/99/48/403639948.db2.gz DIYLBRHOAIOXOH-MWLCHTKSSA-N 1 1 310.329 2.338 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000301518125 403641588 /nfs/dbraw/zinc/64/15/88/403641588.db2.gz KIBLHXBMFZBCLU-AWEZNQCLSA-N 1 1 308.382 2.067 20 5 DEBDMO Cc1nc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000301615563 403654142 /nfs/dbraw/zinc/65/41/42/403654142.db2.gz BLZBLWVTPXUJDL-CYBMUJFWSA-N 1 1 308.382 2.067 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000347320308 403662871 /nfs/dbraw/zinc/66/28/71/403662871.db2.gz WTEJJVXNQYQVTQ-OJWNKBRNSA-N 1 1 304.346 2.491 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000343626048 403667475 /nfs/dbraw/zinc/66/74/75/403667475.db2.gz XPDLFEHFZCEBJF-AWEZNQCLSA-N 1 1 323.368 2.267 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000347335011 403667836 /nfs/dbraw/zinc/66/78/36/403667836.db2.gz JUQZUJIWGFOADW-BCNIOPEESA-N 1 1 303.362 2.195 20 5 DEBDMO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000341036483 403746091 /nfs/dbraw/zinc/74/60/91/403746091.db2.gz QCBVIBUOISLLIE-NSHDSACASA-N 1 1 304.350 2.496 20 5 DEBDMO Cc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000305139232 403848946 /nfs/dbraw/zinc/84/89/46/403848946.db2.gz PNMACKXMKRMRRG-CQSZACIVSA-N 1 1 321.421 2.401 20 5 DEBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000295390761 403899568 /nfs/dbraw/zinc/89/95/68/403899568.db2.gz USFKHYVGOQEIJY-UHFFFAOYSA-N 1 1 319.405 2.165 20 5 DEBDMO Cc1nc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295410200 403910206 /nfs/dbraw/zinc/91/02/06/403910206.db2.gz DCJWZDFYQQLFIJ-TUAOUCFPSA-N 1 1 307.398 2.472 20 5 DEBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000368959354 403916605 /nfs/dbraw/zinc/91/66/05/403916605.db2.gz UVWSJDRKRRXFPO-VQAHIBFHSA-N 1 1 315.373 2.194 20 5 DEBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000368959354 403916610 /nfs/dbraw/zinc/91/66/10/403916610.db2.gz UVWSJDRKRRXFPO-VQAHIBFHSA-N 1 1 315.373 2.194 20 5 DEBDMO CCC[N@@H+](CCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000305722699 403919682 /nfs/dbraw/zinc/91/96/82/403919682.db2.gz CXGZBALUINRVBB-UHFFFAOYSA-N 1 1 318.377 2.200 20 5 DEBDMO COc1ccc(OCC[NH2+][C@H](C)c2csnn2)c([N+](=O)[O-])c1 ZINC000412048372 404085872 /nfs/dbraw/zinc/08/58/72/404085872.db2.gz XLPXEGGBDDLAQV-SECBINFHSA-N 1 1 324.362 2.185 20 5 DEBDMO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000369314792 404044406 /nfs/dbraw/zinc/04/44/06/404044406.db2.gz PQPVKVHMUMCWCX-CYBMUJFWSA-N 1 1 306.362 2.365 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000369314792 404044409 /nfs/dbraw/zinc/04/44/09/404044409.db2.gz PQPVKVHMUMCWCX-CYBMUJFWSA-N 1 1 306.362 2.365 20 5 DEBDMO C[C@H]1[C@H](CO)CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412064929 404103849 /nfs/dbraw/zinc/10/38/49/404103849.db2.gz CHYUBJUPLQOHGH-STQMWFEESA-N 1 1 321.377 2.016 20 5 DEBDMO O=C(NCC[NH+]1CCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000337590133 404115911 /nfs/dbraw/zinc/11/59/11/404115911.db2.gz MNAPGRQELZLLAO-UHFFFAOYSA-N 1 1 305.359 2.245 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000344446570 404143617 /nfs/dbraw/zinc/14/36/17/404143617.db2.gz KLMGZCSNLQCODB-BETUJISGSA-N 1 1 319.405 2.387 20 5 DEBDMO CC[N@@H+](C[C@@H](C)O)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352213510 404218962 /nfs/dbraw/zinc/21/89/62/404218962.db2.gz VKHOWFKVEXOFLZ-MNOVXSKESA-N 1 1 320.349 2.409 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2OC)[C@@H](C)C1 ZINC000344480949 404169222 /nfs/dbraw/zinc/16/92/22/404169222.db2.gz ZUOMZQKAWOASDN-TXEJJXNPSA-N 1 1 321.377 2.158 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000412334867 404251158 /nfs/dbraw/zinc/25/11/58/404251158.db2.gz IRRVCUHVJVTZOK-VBNZEHGJSA-N 1 1 317.389 2.251 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000344719714 404329096 /nfs/dbraw/zinc/32/90/96/404329096.db2.gz ORWCEOBGBMVKOM-OAHLLOKOSA-N 1 1 319.405 2.374 20 5 DEBDMO Cc1cc(F)c(NC(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000296796082 404325065 /nfs/dbraw/zinc/32/50/65/404325065.db2.gz QKMNEAGYWWGEGX-UHFFFAOYSA-N 1 1 322.340 2.426 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296897160 404364051 /nfs/dbraw/zinc/36/40/51/404364051.db2.gz VQLIYVOGLMKSRF-NWDGAFQWSA-N 1 1 307.350 2.428 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296897160 404364058 /nfs/dbraw/zinc/36/40/58/404364058.db2.gz VQLIYVOGLMKSRF-NWDGAFQWSA-N 1 1 307.350 2.428 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000291522598 404412309 /nfs/dbraw/zinc/41/23/09/404412309.db2.gz JJBWWVGEMQQVMI-RHSMWYFYSA-N 1 1 319.405 2.198 20 5 DEBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000413299262 404423199 /nfs/dbraw/zinc/42/31/99/404423199.db2.gz HHBOPKMXSFIYCA-WDMOLILDSA-N 1 1 308.357 2.295 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000291773520 404514119 /nfs/dbraw/zinc/51/41/19/404514119.db2.gz MYIQHXFDLZTANV-HNNXBMFYSA-N 1 1 304.350 2.154 20 5 DEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000364589440 404460422 /nfs/dbraw/zinc/46/04/22/404460422.db2.gz CUCJLOOYPAZERZ-CQSZACIVSA-N 1 1 304.350 2.297 20 5 DEBDMO COc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000345118298 404559619 /nfs/dbraw/zinc/55/96/19/404559619.db2.gz VZAHGEBALBVXBH-ZYHUDNBSSA-N 1 1 322.365 2.208 20 5 DEBDMO CCc1ncc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000414307936 404571721 /nfs/dbraw/zinc/57/17/21/404571721.db2.gz SERJXYJZTDOMPR-UHFFFAOYSA-N 1 1 302.334 2.246 20 5 DEBDMO NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352722094 404575386 /nfs/dbraw/zinc/57/53/86/404575386.db2.gz UIMKEYMJEJGPAL-NSHDSACASA-N 1 1 309.341 2.211 20 5 DEBDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352722094 404575393 /nfs/dbraw/zinc/57/53/93/404575393.db2.gz UIMKEYMJEJGPAL-NSHDSACASA-N 1 1 309.341 2.211 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000291917199 404580275 /nfs/dbraw/zinc/58/02/75/404580275.db2.gz RGXNMBBEFYQZGZ-HNNXBMFYSA-N 1 1 304.350 2.154 20 5 DEBDMO C[NH2+]Cc1noc(-c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000414639079 404698416 /nfs/dbraw/zinc/69/84/16/404698416.db2.gz FZPGUZVTWCMOSJ-UHFFFAOYSA-N 1 1 302.212 2.383 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000356881904 404716227 /nfs/dbraw/zinc/71/62/27/404716227.db2.gz PCJPMBRQQLHTMG-WDEREUQCSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000356881904 404716230 /nfs/dbraw/zinc/71/62/30/404716230.db2.gz PCJPMBRQQLHTMG-WDEREUQCSA-N 1 1 323.418 2.481 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCNc1cccc(C)[nH+]1 ZINC000360897963 404848104 /nfs/dbraw/zinc/84/81/04/404848104.db2.gz YIDKIXJVXDAILY-UHFFFAOYSA-N 1 1 304.354 2.347 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000568350449 292332750 /nfs/dbraw/zinc/33/27/50/292332750.db2.gz ATSOSVCAKCPVGG-DZGCQCFKSA-N 1 1 305.378 2.272 20 5 DEBDMO COC1(C)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000361522277 405113888 /nfs/dbraw/zinc/11/38/88/405113888.db2.gz NPOWFILTKMPDKB-UHFFFAOYSA-N 1 1 304.350 2.472 20 5 DEBDMO CCN1CCN(CC(C)(C)[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000451982169 405118074 /nfs/dbraw/zinc/11/80/74/405118074.db2.gz JOPPWVLXFMXRHU-UHFFFAOYSA-N 1 1 320.437 2.101 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](C)OC ZINC000361562883 405133103 /nfs/dbraw/zinc/13/31/03/405133103.db2.gz GNRABBFNLTXOMA-LBPRGKRZSA-N 1 1 309.366 2.280 20 5 DEBDMO CC1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@@H]21 ZINC000452111882 405173855 /nfs/dbraw/zinc/17/38/55/405173855.db2.gz VYARHTLTZYSQQX-LSDHHAIUSA-N 1 1 306.362 2.330 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCO)C1CCOCC1 ZINC000438326169 405242072 /nfs/dbraw/zinc/24/20/72/405242072.db2.gz JJWNQUNMWWWNHV-HYXAFXHYSA-N 1 1 306.362 2.081 20 5 DEBDMO CN(C)CC(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447522438 405417473 /nfs/dbraw/zinc/41/74/73/405417473.db2.gz YQRODHBSCVVABT-UONOGXRCSA-N 1 1 323.441 2.452 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000421235019 405458735 /nfs/dbraw/zinc/45/87/35/405458735.db2.gz GOZWNLPPCXOXSY-NSHDSACASA-N 1 1 310.329 2.292 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421711582 405606815 /nfs/dbraw/zinc/60/68/15/405606815.db2.gz OXDJPLVVSVMLPW-CYBMUJFWSA-N 1 1 305.378 2.378 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000421715542 405609791 /nfs/dbraw/zinc/60/97/91/405609791.db2.gz YBYZNSYPSOXLTN-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CO[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000449573005 405619739 /nfs/dbraw/zinc/61/97/39/405619739.db2.gz QJSFUAJUMDDEEZ-GDBMZVCRSA-N 1 1 318.329 2.046 20 5 DEBDMO CCOc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000421707636 405601125 /nfs/dbraw/zinc/60/11/25/405601125.db2.gz XZAYJTSVPAQNAF-ZDUSSCGKSA-N 1 1 321.377 2.160 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000421772934 405639932 /nfs/dbraw/zinc/63/99/32/405639932.db2.gz HVEJRBJGHHNILV-QWHCGFSZSA-N 1 1 305.378 2.424 20 5 DEBDMO C[C@H](NC(=O)N1CC[N@@H+](C)CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000458890388 405642542 /nfs/dbraw/zinc/64/25/42/405642542.db2.gz OUHVNLUFTKGHIJ-OLZOCXBDSA-N 1 1 320.393 2.391 20 5 DEBDMO CNC(=O)CCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000583449836 405744721 /nfs/dbraw/zinc/74/47/21/405744721.db2.gz XRRKNJKTKKKRQS-CQSZACIVSA-N 1 1 305.378 2.300 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3CCSC3)C2)nc1 ZINC000494931307 405784925 /nfs/dbraw/zinc/78/49/25/405784925.db2.gz ANRZHNSVJLCEBH-NEPJUHHUSA-N 1 1 308.407 2.229 20 5 DEBDMO CCn1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1=O ZINC000433188168 405892527 /nfs/dbraw/zinc/89/25/27/405892527.db2.gz AYVUQWPRSHRCSG-UHFFFAOYSA-N 1 1 305.309 2.205 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000560624625 405853913 /nfs/dbraw/zinc/85/39/13/405853913.db2.gz VZHAMBPVBBHYBH-GXTWGEPZSA-N 1 1 303.362 2.212 20 5 DEBDMO C[C@H]1COCC[N@H+]1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000562478568 406016216 /nfs/dbraw/zinc/01/62/16/406016216.db2.gz LXZZDLDOHWARKD-AWEZNQCLSA-N 1 1 319.405 2.280 20 5 DEBDMO C[C@H]1COCCN1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000562478568 406016220 /nfs/dbraw/zinc/01/62/20/406016220.db2.gz LXZZDLDOHWARKD-AWEZNQCLSA-N 1 1 319.405 2.280 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000533573364 406155268 /nfs/dbraw/zinc/15/52/68/406155268.db2.gz WCVLQGWSFBSJAT-AWEZNQCLSA-N 1 1 320.393 2.126 20 5 DEBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCc2[nH+]ccn21 ZINC000487560168 406245836 /nfs/dbraw/zinc/24/58/36/406245836.db2.gz PINIRVUYAZCRPH-GFCCVEGCSA-N 1 1 304.281 2.447 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000569659220 406283550 /nfs/dbraw/zinc/28/35/50/406283550.db2.gz VNYPOHRBXTYFDE-CZUORRHYSA-N 1 1 319.405 2.497 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000521730576 406363870 /nfs/dbraw/zinc/36/38/70/406363870.db2.gz PKKPLXZPMWZFHC-LLVKDONJSA-N 1 1 316.361 2.148 20 5 DEBDMO CCc1nn(C)c(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488755660 406345588 /nfs/dbraw/zinc/34/55/88/406345588.db2.gz TUHQNGJHQPARSB-MBNYWOFBSA-N 1 1 321.425 2.057 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000522810563 406411418 /nfs/dbraw/zinc/41/14/18/406411418.db2.gz LKXYAWAJDWGDQU-LLVKDONJSA-N 1 1 309.341 2.194 20 5 DEBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000489490030 406412153 /nfs/dbraw/zinc/41/21/53/406412153.db2.gz APXNHHNPENKARK-KGLIPLIRSA-N 1 1 324.377 2.099 20 5 DEBDMO CC[N@@H+](CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C(C)C ZINC000491829090 406739576 /nfs/dbraw/zinc/73/95/76/406739576.db2.gz XKGHZPWLOYQUNP-HJWRWDBZSA-N 1 1 305.378 2.455 20 5 DEBDMO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC[N@@H+]1CC=CCC1 ZINC000492019034 406811482 /nfs/dbraw/zinc/81/14/82/406811482.db2.gz NVKPKSKHMADXFT-FNORWQNLSA-N 1 1 319.336 2.125 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000246384464 225226583 /nfs/dbraw/zinc/22/65/83/225226583.db2.gz HIDDYULPUQEUNO-LALPHHSUSA-N 1 1 321.377 2.015 20 5 DEBDMO COc1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000291340411 222325438 /nfs/dbraw/zinc/32/54/38/222325438.db2.gz VSVRMNWTQFRXFY-ZDUSSCGKSA-N 1 1 302.334 2.247 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000291340411 222325441 /nfs/dbraw/zinc/32/54/41/222325441.db2.gz VSVRMNWTQFRXFY-ZDUSSCGKSA-N 1 1 302.334 2.247 20 5 DEBDMO Cc1nc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC000297469002 227207920 /nfs/dbraw/zinc/20/79/20/227207920.db2.gz KQSQSMFUSUDARU-ZDUSSCGKSA-N 1 1 307.398 2.473 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000299599853 229249561 /nfs/dbraw/zinc/24/95/61/229249561.db2.gz HAXLRRFFKVZCCR-LSDHHAIUSA-N 1 1 303.362 2.260 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000421798065 230000697 /nfs/dbraw/zinc/00/06/97/230000697.db2.gz XKQJQRWRCKMPLR-OLZOCXBDSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000421798065 230000700 /nfs/dbraw/zinc/00/07/00/230000700.db2.gz XKQJQRWRCKMPLR-OLZOCXBDSA-N 1 1 305.378 2.376 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352362181 425045670 /nfs/dbraw/zinc/04/56/70/425045670.db2.gz UVUBZJDWAVHRSU-CYBMUJFWSA-N 1 1 300.362 3.039 20 5 DEBDMO CNC(=O)OC[C@H]1CCCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000497293459 269298675 /nfs/dbraw/zinc/29/86/75/269298675.db2.gz NNINRZLXJZQHTJ-GFCCVEGCSA-N 1 1 323.349 2.011 20 5 DEBDMO C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000042288957 274285452 /nfs/dbraw/zinc/28/54/52/274285452.db2.gz FHGAKAHMMYDBPP-GFCCVEGCSA-N 1 1 303.362 2.358 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000042288957 274285453 /nfs/dbraw/zinc/28/54/53/274285453.db2.gz FHGAKAHMMYDBPP-GFCCVEGCSA-N 1 1 303.362 2.358 20 5 DEBDMO O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000340913339 275033322 /nfs/dbraw/zinc/03/33/22/275033322.db2.gz VWRNWXHMEHQNGS-UHFFFAOYSA-N 1 1 307.741 2.298 20 5 DEBDMO O=[N+]([O-])c1ccc2nc(N3CCN(c4[nH]cc[nH+]4)CC3)ccc2c1 ZINC000290955032 275039043 /nfs/dbraw/zinc/03/90/43/275039043.db2.gz NNHUOPAVVYWUIY-UHFFFAOYSA-N 1 1 324.344 2.193 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000174515940 276305920 /nfs/dbraw/zinc/30/59/20/276305920.db2.gz QJQHJCJJAIXSFU-VFNNOXKTSA-N 1 1 317.389 2.408 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000291127207 280661569 /nfs/dbraw/zinc/66/15/69/280661569.db2.gz MUXORKDRXQHFBW-CZUORRHYSA-N 1 1 305.378 2.203 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000332224327 281008600 /nfs/dbraw/zinc/00/86/00/281008600.db2.gz BMCKOHJDFXDJMP-UKRRQHHQSA-N 1 1 303.362 2.260 20 5 DEBDMO C[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000294503950 290010272 /nfs/dbraw/zinc/01/02/72/290010272.db2.gz QJOOVYVKFILQSM-OAHLLOKOSA-N 1 1 319.405 2.337 20 5 DEBDMO C[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000294503950 290010273 /nfs/dbraw/zinc/01/02/73/290010273.db2.gz QJOOVYVKFILQSM-OAHLLOKOSA-N 1 1 319.405 2.337 20 5 DEBDMO C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000573035139 326013399 /nfs/dbraw/zinc/01/33/99/326013399.db2.gz FKZKGWGYNXZJRA-XQQFMLRXSA-N 1 1 305.378 2.249 20 5 DEBDMO CC[N@@H+](C)C[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000575812988 326248323 /nfs/dbraw/zinc/24/83/23/326248323.db2.gz SXNXDDHNZAGHIO-MRXNPFEDSA-N 1 1 309.410 2.118 20 5 DEBDMO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444592255 533797094 /nfs/dbraw/zinc/79/70/94/533797094.db2.gz CJDDGKZXFATVDT-YGRLFVJLSA-N 1 1 304.350 2.206 20 5 DEBDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444592255 533797097 /nfs/dbraw/zinc/79/70/97/533797097.db2.gz CJDDGKZXFATVDT-YGRLFVJLSA-N 1 1 304.350 2.206 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299304828 534335598 /nfs/dbraw/zinc/33/55/98/534335598.db2.gz BZDUNSBVDQWHSH-GJZGRUSLSA-N 1 1 303.362 2.260 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000337313851 519826625 /nfs/dbraw/zinc/82/66/25/519826625.db2.gz HEPXXLZVDLEOLT-OAHLLOKOSA-N 1 1 321.377 2.280 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000102479446 521071442 /nfs/dbraw/zinc/07/14/42/521071442.db2.gz YHVXWEZTMYZESO-UHFFFAOYSA-N 1 1 309.366 2.064 20 5 DEBDMO CC(=O)N[C@@H](C)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000360318942 534537136 /nfs/dbraw/zinc/53/71/36/534537136.db2.gz UCYSXEUSMXLYBW-NSHDSACASA-N 1 1 323.368 2.471 20 5 DEBDMO CCN1CCC([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000157483234 521562823 /nfs/dbraw/zinc/56/28/23/521562823.db2.gz RIMQLJLMJDYRKH-UHFFFAOYSA-N 1 1 307.394 2.390 20 5 DEBDMO CCN1CCC([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000157483234 521562832 /nfs/dbraw/zinc/56/28/32/521562832.db2.gz RIMQLJLMJDYRKH-UHFFFAOYSA-N 1 1 307.394 2.390 20 5 DEBDMO CCc1ccc(C(=O)NCCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000338182733 523889970 /nfs/dbraw/zinc/88/99/70/523889970.db2.gz ZWLFCPZCSCXEEP-UHFFFAOYSA-N 1 1 316.361 2.482 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000156286471 524558284 /nfs/dbraw/zinc/55/82/84/524558284.db2.gz ZUKWBATWIRBAQZ-NHYWBVRUSA-N 1 1 323.368 2.075 20 5 DEBDMO COC(=O)[C@@H]([NH2+]CCCNc1cc(C)ccc1[N+](=O)[O-])C(C)C ZINC000450603389 536453231 /nfs/dbraw/zinc/45/32/31/536453231.db2.gz UCUKLVUHWXKQDK-HNNXBMFYSA-N 1 1 323.393 2.492 20 5 DEBDMO Cc1[nH+]ccn1CCCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000130005724 527401847 /nfs/dbraw/zinc/40/18/47/527401847.db2.gz ASLQKMHSPLKCGL-UHFFFAOYSA-N 1 1 316.361 2.239 20 5 DEBDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124561494 527401922 /nfs/dbraw/zinc/40/19/22/527401922.db2.gz RUNMPLXUIXGXGB-UHFFFAOYSA-N 1 1 318.337 2.097 20 5 DEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000130288595 527404508 /nfs/dbraw/zinc/40/45/08/527404508.db2.gz KXFLGARXYLKSHA-UHFFFAOYSA-N 1 1 308.363 2.371 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000331015810 527852085 /nfs/dbraw/zinc/85/20/85/527852085.db2.gz YEHMVJIWQKUIKV-OAHLLOKOSA-N 1 1 307.394 2.246 20 5 DEBDMO CCN1CC[NH+](C[C@H](C)CNc2sccc2[N+](=O)[O-])CC1 ZINC000302008976 529148545 /nfs/dbraw/zinc/14/85/45/529148545.db2.gz XLXNVPYTKOFRIR-GFCCVEGCSA-N 1 1 312.439 2.342 20 5 DEBDMO CC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000340672412 536071883 /nfs/dbraw/zinc/07/18/83/536071883.db2.gz AXPPTDAUCPJREB-NSHDSACASA-N 1 1 307.350 2.416 20 5 DEBDMO CC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000340672412 536071888 /nfs/dbraw/zinc/07/18/88/536071888.db2.gz AXPPTDAUCPJREB-NSHDSACASA-N 1 1 307.350 2.416 20 5 DEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000456335892 536136714 /nfs/dbraw/zinc/13/67/14/536136714.db2.gz ATMJKTKJYAHVLK-NSHDSACASA-N 1 1 309.341 2.290 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000456335892 536136719 /nfs/dbraw/zinc/13/67/19/536136719.db2.gz ATMJKTKJYAHVLK-NSHDSACASA-N 1 1 309.341 2.290 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@@H]1O ZINC000305339368 536307070 /nfs/dbraw/zinc/30/70/70/536307070.db2.gz ORPXNXCHTFEPBG-WFASDCNBSA-N 1 1 321.377 2.016 20 5 DEBDMO COC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246632731 536761043 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ZSPOYBQHRLIBCH-GXTWGEPZSA-N 1 1 318.377 2.379 20 5 DEBDMO C[C@]([NH3+])(C(=O)N1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000867982745 687859385 /nfs/dbraw/zinc/85/93/85/687859385.db2.gz VTCCKJDLWNSYFN-CYBMUJFWSA-N 1 1 313.304 2.026 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000930368687 694147125 /nfs/dbraw/zinc/14/71/25/694147125.db2.gz NNJAIVDPPJQPQS-LLVKDONJSA-N 1 1 323.418 2.388 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868312274 687976321 /nfs/dbraw/zinc/97/63/21/687976321.db2.gz OAXVNAWDOKIJCO-ZDUSSCGKSA-N 1 1 323.368 2.267 20 5 DEBDMO CC1(C)CCC(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001020139139 688472061 /nfs/dbraw/zinc/47/20/61/688472061.db2.gz SFBVAULJXDHNPM-KBUPBQIOSA-N 1 1 323.437 2.105 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000930673215 694215293 /nfs/dbraw/zinc/21/52/93/694215293.db2.gz GCMQMKLRMRWZSU-SNVBAGLBSA-N 1 1 321.402 2.283 20 5 DEBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000930674890 694216268 /nfs/dbraw/zinc/21/62/68/694216268.db2.gz JIHFUHMTNDXKED-CYBMUJFWSA-N 1 1 321.352 2.019 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871154178 688736616 /nfs/dbraw/zinc/73/66/16/688736616.db2.gz ZZROSYBYHDMXNR-UHFFFAOYSA-N 1 1 305.378 2.460 20 5 DEBDMO C[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035668 688916971 /nfs/dbraw/zinc/91/69/71/688916971.db2.gz XZLOCLVFPSPASG-AVGNSLFASA-N 1 1 323.368 2.248 20 5 DEBDMO CC(=O)c1cc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000872780124 689091805 /nfs/dbraw/zinc/09/18/05/689091805.db2.gz JSCBNSZEAFHHQR-HZPDHXFCSA-N 1 1 303.362 2.470 20 5 DEBDMO Cc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873253226 689195061 /nfs/dbraw/zinc/19/50/61/689195061.db2.gz VHQMWPNJHZFRRU-OWCLPIDISA-N 1 1 319.405 2.150 20 5 DEBDMO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000930927245 694276226 /nfs/dbraw/zinc/27/62/26/694276226.db2.gz BJIXXJIIXFVZDX-HZPDHXFCSA-N 1 1 315.373 2.005 20 5 DEBDMO CC[N@H+]1CCC[C@H](NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000874389465 689398262 /nfs/dbraw/zinc/39/82/62/689398262.db2.gz KNLUBJQIXMMXFX-ZDUSSCGKSA-N 1 1 305.378 2.426 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000874840304 689512228 /nfs/dbraw/zinc/51/22/28/689512228.db2.gz MDFYCVQVRQDJAX-UONOGXRCSA-N 1 1 307.325 2.043 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000874845924 689515565 /nfs/dbraw/zinc/51/55/65/689515565.db2.gz WWTMNQDYQXTLHC-UONOGXRCSA-N 1 1 307.325 2.043 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931200507 694339191 /nfs/dbraw/zinc/33/91/91/694339191.db2.gz UBNAKIWUWVFXHX-JTQLQIEISA-N 1 1 302.334 2.153 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931200507 694339193 /nfs/dbraw/zinc/33/91/93/694339193.db2.gz UBNAKIWUWVFXHX-JTQLQIEISA-N 1 1 302.334 2.153 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000877558969 690152345 /nfs/dbraw/zinc/15/23/45/690152345.db2.gz PPWULNRZDYWHMC-CYBMUJFWSA-N 1 1 321.377 2.484 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]21 ZINC000877738424 690209229 /nfs/dbraw/zinc/20/92/29/690209229.db2.gz BOWGMGMHBPRMBP-TZMCWYRMSA-N 1 1 320.349 2.029 20 5 DEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CC1(O)CCCCC1 ZINC000877916778 690259632 /nfs/dbraw/zinc/25/96/32/690259632.db2.gz KBIQAGMORBCPDI-OAHLLOKOSA-N 1 1 322.405 2.473 20 5 DEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CC1(O)CCCCC1 ZINC000877916778 690259636 /nfs/dbraw/zinc/25/96/36/690259636.db2.gz KBIQAGMORBCPDI-OAHLLOKOSA-N 1 1 322.405 2.473 20 5 DEBDMO NC(=O)[C@H](C1CC1)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000879491555 690653550 /nfs/dbraw/zinc/65/35/50/690653550.db2.gz JBSCSXZGMORXQU-HNNXBMFYSA-N 1 1 303.362 2.071 20 5 DEBDMO O=C(C[N@@H+]1CC[C@H]2CSC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000879558531 690670796 /nfs/dbraw/zinc/67/07/96/690670796.db2.gz KBOWZAKRDZLPPK-NWDGAFQWSA-N 1 1 321.402 2.218 20 5 DEBDMO O=C(C[N@H+]1CC[C@H]2CSC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000879558531 690670799 /nfs/dbraw/zinc/67/07/99/690670799.db2.gz KBOWZAKRDZLPPK-NWDGAFQWSA-N 1 1 321.402 2.218 20 5 DEBDMO CC[C@H](CO)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC000879742168 690719063 /nfs/dbraw/zinc/71/90/63/690719063.db2.gz FAPDRTRWMJMVEV-OAHLLOKOSA-N 1 1 318.377 2.101 20 5 DEBDMO CC[C@H](CO)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC000879742168 690719066 /nfs/dbraw/zinc/71/90/66/690719066.db2.gz FAPDRTRWMJMVEV-OAHLLOKOSA-N 1 1 318.377 2.101 20 5 DEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000931495352 694412946 /nfs/dbraw/zinc/41/29/46/694412946.db2.gz JGHXLZLDNUNTRW-SWLSCSKDSA-N 1 1 318.377 2.325 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H](CCO)C(F)(F)F)c2c1 ZINC000884831420 691804085 /nfs/dbraw/zinc/80/40/85/691804085.db2.gz RNZPVBYUKSAKLD-GFCCVEGCSA-N 1 1 315.251 2.290 20 5 DEBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000931835762 694488715 /nfs/dbraw/zinc/48/87/15/694488715.db2.gz JAINOUIECUAANB-JKSUJKDBSA-N 1 1 317.389 2.299 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000886212876 692025271 /nfs/dbraw/zinc/02/52/71/692025271.db2.gz HHVDIHWIMBAZNJ-QGZVFWFLSA-N 1 1 313.357 2.126 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC000886613865 692133026 /nfs/dbraw/zinc/13/30/26/692133026.db2.gz HCFRYKAHWPBVIG-JQWIXIFHSA-N 1 1 318.299 2.456 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1[N+](=O)[O-] ZINC000894307535 692980559 /nfs/dbraw/zinc/98/05/59/692980559.db2.gz YGMJUOZBIXRVSL-MRXNPFEDSA-N 1 1 322.361 2.312 20 5 DEBDMO CC(=O)N1CC2(C1)CC[NH+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC001050393564 693170745 /nfs/dbraw/zinc/17/07/45/693170745.db2.gz GLKJGJODRUVPBT-UHFFFAOYSA-N 1 1 309.391 2.101 20 5 DEBDMO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000932437398 694614543 /nfs/dbraw/zinc/61/45/43/694614543.db2.gz RADZYJFZOSRXPA-AWEZNQCLSA-N 1 1 305.378 2.474 20 5 DEBDMO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000932437398 694614544 /nfs/dbraw/zinc/61/45/44/694614544.db2.gz RADZYJFZOSRXPA-AWEZNQCLSA-N 1 1 305.378 2.474 20 5 DEBDMO CN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001343772828 1150771542 /nfs/dbraw/zinc/77/15/42/1150771542.db2.gz YATYOUAAUDATPZ-UHFFFAOYSA-N 1 1 323.312 2.452 20 5 DEBDMO Cc1cc(NC(=O)N2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC001344874465 1150848000 /nfs/dbraw/zinc/84/80/00/1150848000.db2.gz CWVBNEYCDBCMKL-UHFFFAOYSA-N 1 1 304.350 2.215 20 5 DEBDMO CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001346198239 1150950420 /nfs/dbraw/zinc/95/04/20/1150950420.db2.gz VBKMOHXYMKJVKJ-CABCVRRESA-N 1 1 306.362 2.250 20 5 DEBDMO CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001346198239 1150950424 /nfs/dbraw/zinc/95/04/24/1150950424.db2.gz VBKMOHXYMKJVKJ-CABCVRRESA-N 1 1 306.362 2.250 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001164632910 719164109 /nfs/dbraw/zinc/16/41/09/719164109.db2.gz FTXUKKIIENTCKS-GHMZBOCLSA-N 1 1 301.350 2.067 20 5 DEBDMO CCOc1cc(NCC2([NH+]3CCCC3)COC2)ccc1[N+](=O)[O-] ZINC001168447517 782421954 /nfs/dbraw/zinc/42/19/54/782421954.db2.gz IEMTWNOTYSBOTP-UHFFFAOYSA-N 1 1 321.377 2.270 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1C ZINC001332758423 1149889106 /nfs/dbraw/zinc/88/91/06/1149889106.db2.gz XNTKTDLLQDOAHL-BXUZGUMPSA-N 1 1 317.389 2.424 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H](CF)C3)n2)c1 ZINC001333311879 1150031503 /nfs/dbraw/zinc/03/15/03/1150031503.db2.gz VONMUJACQRGXFG-GFCCVEGCSA-N 1 1 319.340 2.492 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC[C@H](CF)C3)n2)c1 ZINC001333311879 1150031508 /nfs/dbraw/zinc/03/15/08/1150031508.db2.gz VONMUJACQRGXFG-GFCCVEGCSA-N 1 1 319.340 2.492 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc(N)[nH+]c1C ZINC001167786844 778574156 /nfs/dbraw/zinc/57/41/56/778574156.db2.gz ZCYNLGFZUNULKP-UHFFFAOYSA-N 1 1 316.317 2.279 20 5 DEBDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169005693 785000194 /nfs/dbraw/zinc/00/01/94/785000194.db2.gz CHQPKSMLIFZDMT-RRFJBIMHSA-N 1 1 311.426 2.012 20 5 DEBDMO CN(CC[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001169010174 785002852 /nfs/dbraw/zinc/00/28/52/785002852.db2.gz ZJERAVWEPBIDFA-CHWSQXEVSA-N 1 1 315.414 2.231 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)C1 ZINC001169010621 785003857 /nfs/dbraw/zinc/00/38/57/785003857.db2.gz FFLSOEXZHLQZPF-WRWGMCAJSA-N 1 1 310.316 2.067 20 5 DEBDMO COC(=O)CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169030424 785010328 /nfs/dbraw/zinc/01/03/28/785010328.db2.gz ZUVWRPVBWPGCBB-HOTGVXAUSA-N 1 1 320.389 2.497 20 5 DEBDMO 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Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC001526183342 1070235947 /nfs/dbraw/zinc/23/59/47/1070235947.db2.gz XHTJWALEFNLGBW-GHMZBOCLSA-N 1 1 309.341 2.207 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CCCC2(CC2)C1 ZINC001607084310 1071292760 /nfs/dbraw/zinc/29/27/60/1071292760.db2.gz ZBLSLCDUMIQYQY-UHFFFAOYSA-N 1 1 314.349 2.151 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC001455623428 1057742393 /nfs/dbraw/zinc/74/23/93/1057742393.db2.gz ZCWZJGZQIOINFH-UHFFFAOYSA-N 1 1 302.334 2.092 20 5 DEBDMO C[C@H](C(=O)N1CC[N@@H+](C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001472583495 1060546078 /nfs/dbraw/zinc/54/60/78/1060546078.db2.gz QRHDMXNPLHTQAZ-STQMWFEESA-N 1 1 317.389 2.393 20 5 DEBDMO C[C@H](C(=O)N1CC[N@H+](C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001472583495 1060546099 /nfs/dbraw/zinc/54/60/99/1060546099.db2.gz QRHDMXNPLHTQAZ-STQMWFEESA-N 1 1 317.389 2.393 20 5 DEBDMO Cc1n[nH]cc1C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001473699557 1060712650 /nfs/dbraw/zinc/71/26/50/1060712650.db2.gz ADYJDYAANRZQLK-UHFFFAOYSA-N 1 1 317.349 2.087 20 5 DEBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCS(=O)CC1 ZINC001474352172 1060856119 /nfs/dbraw/zinc/85/61/19/1060856119.db2.gz VREUWKDXTJRLBM-UHFFFAOYSA-N 1 1 323.374 2.079 20 5 DEBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCS(=O)CC1 ZINC001474352172 1060856133 /nfs/dbraw/zinc/85/61/33/1060856133.db2.gz VREUWKDXTJRLBM-UHFFFAOYSA-N 1 1 323.374 2.079 20 5 DEBDMO C/C=C(\C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001480390579 1062784580 /nfs/dbraw/zinc/78/45/80/1062784580.db2.gz DQYYYCHAAOJRPZ-REPRMLRHSA-N 1 1 315.373 2.107 20 5 DEBDMO CCOC(=O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)C ZINC001615286051 1078126950 /nfs/dbraw/zinc/12/69/50/1078126950.db2.gz XCONBKBDLNMACD-UHFFFAOYSA-N 1 1 324.377 2.495 20 5 DEBDMO CCOC(=O)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)C ZINC001615286051 1078126952 /nfs/dbraw/zinc/12/69/52/1078126952.db2.gz XCONBKBDLNMACD-UHFFFAOYSA-N 1 1 324.377 2.495 20 5 DEBDMO Cn1cc([C@@H]2C[C@H]2C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001621188540 1078170801 /nfs/dbraw/zinc/17/08/01/1078170801.db2.gz KOUMJYFSAPQIRK-WMLDXEAASA-N 1 1 312.373 2.490 20 5 DEBDMO C[C@H](NC(=O)CC[N@H+]1CC[C@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC001625072256 1078237542 /nfs/dbraw/zinc/23/75/42/1078237542.db2.gz SNPXRSKOAKZTMG-AAEUAGOBSA-N 1 1 309.341 2.206 20 5 DEBDMO C[C@@H](NC(=O)CC[N@H+]1CC[C@@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC001625072257 1078237699 /nfs/dbraw/zinc/23/76/99/1078237699.db2.gz SNPXRSKOAKZTMG-DGCLKSJQSA-N 1 1 309.341 2.206 20 5 DEBDMO CC(C)CC[C@@H]([NH3+])C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC001575566670 1066355439 /nfs/dbraw/zinc/35/54/39/1066355439.db2.gz ZKNVHKQBVIQKIZ-CYBMUJFWSA-N 1 1 323.393 2.468 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC001637860376 1078535737 /nfs/dbraw/zinc/53/57/37/1078535737.db2.gz MDZSLOJKWVRUJV-UHFFFAOYSA-N 1 1 302.334 2.092 20 5 DEBDMO Nc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC001638381699 1078561640 /nfs/dbraw/zinc/56/16/40/1078561640.db2.gz QJMJUKYHEPWWJZ-UHFFFAOYSA-N 1 1 324.300 2.010 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](C)CC2(C)C)c1C ZINC001639140672 1078597807 /nfs/dbraw/zinc/59/78/07/1078597807.db2.gz VJVBMEYOKNTVOT-CYBMUJFWSA-N 1 1 305.378 2.282 20 5 DEBDMO C[N@H+](CCNC(=O)C1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001267183102 1078647470 /nfs/dbraw/zinc/64/74/70/1078647470.db2.gz ZPBFTKVIBYRSOO-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO C[N@@H+](CCNC(=O)C1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001267183102 1078647475 /nfs/dbraw/zinc/64/74/75/1078647475.db2.gz ZPBFTKVIBYRSOO-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO Cc1cocc1C(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001267211125 1078668806 /nfs/dbraw/zinc/66/88/06/1078668806.db2.gz AWDXERGHJBBUSS-UHFFFAOYSA-N 1 1 317.345 2.358 20 5 DEBDMO Cc1cocc1C(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001267211125 1078668809 /nfs/dbraw/zinc/66/88/09/1078668809.db2.gz AWDXERGHJBBUSS-UHFFFAOYSA-N 1 1 317.345 2.358 20 5 DEBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC001518486431 1069006229 /nfs/dbraw/zinc/00/62/29/1069006229.db2.gz NURDSODMGPXKMB-LBPRGKRZSA-N 1 1 309.341 2.256 20 5 DEBDMO CC[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC001645351518 1078896642 /nfs/dbraw/zinc/89/66/42/1078896642.db2.gz JQHJTRINCXNYAB-MCIONIFRSA-N 1 1 308.378 2.455 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)n1 ZINC001542296168 1072456545 /nfs/dbraw/zinc/45/65/45/1072456545.db2.gz OBZXGTMRPBYZOQ-DGCLKSJQSA-N 1 1 320.393 2.148 20 5 DEBDMO Nc1nnc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)o1 ZINC001647896977 1074983616 /nfs/dbraw/zinc/98/36/16/1074983616.db2.gz FNASXWXOPRCXFB-SNVBAGLBSA-N 1 1 321.312 2.079 20 5 DEBDMO Nc1nnc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)o1 ZINC001647896977 1074983617 /nfs/dbraw/zinc/98/36/17/1074983617.db2.gz FNASXWXOPRCXFB-SNVBAGLBSA-N 1 1 321.312 2.079 20 5 DEBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(N)c1[N+](=O)[O-] ZINC001648299189 1074992049 /nfs/dbraw/zinc/99/20/49/1074992049.db2.gz NXFYAZFLNCMTJS-GFCCVEGCSA-N 1 1 306.366 2.297 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC001648295810 1074992443 /nfs/dbraw/zinc/99/24/43/1074992443.db2.gz DKVAYZWQKPCEHI-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO O=C1OCC[C@@]12CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001560237397 1075135098 /nfs/dbraw/zinc/13/50/98/1075135098.db2.gz MTENKYBHUCRJQN-CQSZACIVSA-N 1 1 310.737 2.387 20 5 DEBDMO O=C1OCC[C@@]12CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001560237397 1075135102 /nfs/dbraw/zinc/13/51/02/1075135102.db2.gz MTENKYBHUCRJQN-CQSZACIVSA-N 1 1 310.737 2.387 20 5 DEBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590501883 1076641290 /nfs/dbraw/zinc/64/12/90/1076641290.db2.gz GSQOBTYGXWTOIX-MFKMUULPSA-N 1 1 316.365 2.395 20 5 DEBDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609153891 1077774751 /nfs/dbraw/zinc/77/47/51/1077774751.db2.gz FHYZUVBJEOTVKI-JTQLQIEISA-N 1 1 316.365 2.395 20 5 DEBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC001652263925 1079862508 /nfs/dbraw/zinc/86/25/08/1079862508.db2.gz JCGVGYWGPBADCZ-CYBMUJFWSA-N 1 1 317.393 2.409 20 5 DEBDMO C[C@]1(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCCO1 ZINC001657236580 1080165613 /nfs/dbraw/zinc/16/56/13/1080165613.db2.gz WNHAYFYEGRJPKO-XJKSGUPXSA-N 1 1 320.393 2.435 20 5 DEBDMO CCCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001666211802 1081133552 /nfs/dbraw/zinc/13/35/52/1081133552.db2.gz ROCNJTFQHFURIK-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO O=C(NC/C=C\C[NH2+]CCC1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001668820613 1081401301 /nfs/dbraw/zinc/40/13/01/1081401301.db2.gz HBROZDOFCVXBAT-ILNYKDOHSA-N 1 1 323.437 2.274 20 5 DEBDMO O=C(NC/C=C/C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC001482980694 1082595151 /nfs/dbraw/zinc/59/51/51/1082595151.db2.gz KJGHLIUZTPUNMT-OWOJBTEDSA-N 1 1 320.374 2.060 20 5 DEBDMO CCCCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530513 1088377842 /nfs/dbraw/zinc/37/78/42/1088377842.db2.gz BBSPAMNAQFHJQO-ZIAGYGMSSA-N 1 1 311.426 2.251 20 5 DEBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CC[N@H+]1CC[C@@H](F)C1)CC2 ZINC001295620888 1139473388 /nfs/dbraw/zinc/47/33/88/1139473388.db2.gz PNJHCITXBIHXJT-CYBMUJFWSA-N 1 1 321.352 2.226 20 5 DEBDMO COc1ccc(C[C@@H](C)N2CCC[C@@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246539214 1140944563 /nfs/dbraw/zinc/94/45/63/1140944563.db2.gz FNAVYSMCBKIJEG-TZMCWYRMSA-N 1 1 307.394 2.348 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC(c2c[nH+]cn2C)CC1 ZINC001337459501 1142756209 /nfs/dbraw/zinc/75/62/09/1142756209.db2.gz SZMSTZSINJTDEC-UHFFFAOYSA-N 1 1 301.350 2.416 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1[N+](=O)[O-] ZINC001337716512 1142791328 /nfs/dbraw/zinc/79/13/28/1142791328.db2.gz KSOQRLNZKUMLQC-LERXQTSPSA-N 1 1 321.352 2.112 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1C ZINC001337834521 1142804490 /nfs/dbraw/zinc/80/44/90/1142804490.db2.gz POJUXQWXZXAPFG-MELADBBJSA-N 1 1 317.389 2.282 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC001254553301 1143246056 /nfs/dbraw/zinc/24/60/56/1143246056.db2.gz UQPOLRNEHGTIBM-XJKSGUPXSA-N 1 1 306.362 2.017 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@]2(CCOC2)C1 ZINC001254553301 1143246070 /nfs/dbraw/zinc/24/60/70/1143246070.db2.gz UQPOLRNEHGTIBM-XJKSGUPXSA-N 1 1 306.362 2.017 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(F)F)CC1 ZINC001254563944 1143248653 /nfs/dbraw/zinc/24/86/53/1143248653.db2.gz HBNYDQZGZSKKEA-GFCCVEGCSA-N 1 1 313.348 2.409 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2cnn(C)c2C1 ZINC001254564184 1143251101 /nfs/dbraw/zinc/25/11/01/1143251101.db2.gz JFSXIOJNEVRNMM-LBPRGKRZSA-N 1 1 300.362 2.318 20 5 DEBDMO COC(=O)[C@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC001254571584 1143258362 /nfs/dbraw/zinc/25/83/62/1143258362.db2.gz YGOMKUFJISZNGQ-SCRDCRAPSA-N 1 1 306.362 2.267 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001341027100 1143526557 /nfs/dbraw/zinc/52/65/57/1143526557.db2.gz QJDQHILCOYURQA-QMBLETINSA-N 1 1 315.373 2.064 20 5 DEBDMO C[C@H](CNC(=O)NCC[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC001262361296 1144309236 /nfs/dbraw/zinc/30/92/36/1144309236.db2.gz JKSHUZNUNYKJAJ-GFCCVEGCSA-N 1 1 320.393 2.092 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001263655521 1144387092 /nfs/dbraw/zinc/38/70/92/1144387092.db2.gz KFNAKFRCXFEKTD-CYBMUJFWSA-N 1 1 306.366 2.461 20 5 DEBDMO C[N@H+]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C(C)(C)C1 ZINC001303986461 1147340121 /nfs/dbraw/zinc/34/01/21/1147340121.db2.gz UFQBMTFNJYOAMW-CYBMUJFWSA-N 1 1 316.361 2.146 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001324669748 1147828626 /nfs/dbraw/zinc/82/86/26/1147828626.db2.gz RUZUDUPGTZMUNX-LBPRGKRZSA-N 1 1 320.393 2.098 20 5 DEBDMO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[N@@H+](CC4CC4)C3)c21 ZINC000612444140 361829665 /nfs/dbraw/zinc/82/96/65/361829665.db2.gz BXIHRDWKDPHZMD-LBPRGKRZSA-N 1 1 313.361 2.434 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000612616551 361875537 /nfs/dbraw/zinc/87/55/37/361875537.db2.gz CQXMOZCGJLZCRV-JTQLQIEISA-N 1 1 310.329 2.292 20 5 DEBDMO COc1cc(Cc2noc(C[N@H+](C)C(C)C)n2)ccc1[N+](=O)[O-] ZINC000612967899 361965014 /nfs/dbraw/zinc/96/50/14/361965014.db2.gz DGRZVDGIVRPWOA-UHFFFAOYSA-N 1 1 320.349 2.417 20 5 DEBDMO COc1cc(Cc2noc(C[N@@H+](C)C(C)C)n2)ccc1[N+](=O)[O-] ZINC000612967899 361965019 /nfs/dbraw/zinc/96/50/19/361965019.db2.gz DGRZVDGIVRPWOA-UHFFFAOYSA-N 1 1 320.349 2.417 20 5 DEBDMO C[C@@H]1c2ccccc2CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090529724 185300621 /nfs/dbraw/zinc/30/06/21/185300621.db2.gz CMWVXWHXNCEZCZ-CYBMUJFWSA-N 1 1 313.357 2.376 20 5 DEBDMO C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413113775 529804879 /nfs/dbraw/zinc/80/48/79/529804879.db2.gz CTGSUFYBPJAUEU-MRVPVSSYSA-N 1 1 304.272 2.372 20 5 DEBDMO CCOC(=O)c1cc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000615496271 362621014 /nfs/dbraw/zinc/62/10/14/362621014.db2.gz PNPOZNNOONMELA-VXGBXAGGSA-N 1 1 321.377 2.300 20 5 DEBDMO C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272707683 210110698 /nfs/dbraw/zinc/11/06/98/210110698.db2.gz GWDGXCDEDDLXEC-GFCCVEGCSA-N 1 1 318.377 2.044 20 5 DEBDMO C[C@@H]1OCC[C@@]12C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000279676004 215053023 /nfs/dbraw/zinc/05/30/23/215053023.db2.gz DWDAGYPIVJRYKT-JKIFEVAISA-N 1 1 320.389 2.406 20 5 DEBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000181493277 539651899 /nfs/dbraw/zinc/65/18/99/539651899.db2.gz ZALKSDFTUFXBAM-SNVBAGLBSA-N 1 1 315.329 2.250 20 5 DEBDMO Cn1ccnc1[C@@H]([NH2+]CC1(C)COC1)c1ccc([N+](=O)[O-])cc1 ZINC000272521673 209934970 /nfs/dbraw/zinc/93/49/70/209934970.db2.gz LFUOATRESWMNSL-AWEZNQCLSA-N 1 1 316.361 2.044 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000155975479 186124740 /nfs/dbraw/zinc/12/47/40/186124740.db2.gz HDOSPKKDQVCGNK-JTQLQIEISA-N 1 1 311.769 2.462 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](C)(O)CC1 ZINC000280028265 215321835 /nfs/dbraw/zinc/32/18/35/215321835.db2.gz KTHVRCIUUUKTCK-WBMJQRKESA-N 1 1 321.377 2.159 20 5 DEBDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000171950975 198013245 /nfs/dbraw/zinc/01/32/45/198013245.db2.gz VBZFNLAGGQQXTC-SNVBAGLBSA-N 1 1 323.349 2.240 20 5 DEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000595506454 358468546 /nfs/dbraw/zinc/46/85/46/358468546.db2.gz CPNQEBLGFVSCLH-QGZVFWFLSA-N 1 1 319.405 2.391 20 5 DEBDMO CCCn1cc[nH+]c1CCCN(C)c1c([N+](=O)[O-])ncn1C ZINC000277173640 213344319 /nfs/dbraw/zinc/34/43/19/213344319.db2.gz MWUYFGKAEOBBTQ-UHFFFAOYSA-N 1 1 306.370 2.004 20 5 DEBDMO C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000173097458 198184995 /nfs/dbraw/zinc/18/49/95/198184995.db2.gz JAJCIGWDAACMIR-KGLIPLIRSA-N 1 1 319.405 2.374 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173666008 198237860 /nfs/dbraw/zinc/23/78/60/198237860.db2.gz IAEKSJNVUWGNAB-OAHLLOKOSA-N 1 1 305.378 2.128 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCCCC1 ZINC000003536894 353991722 /nfs/dbraw/zinc/99/17/22/353991722.db2.gz HQOODHRRDFLHEQ-NSHDSACASA-N 1 1 307.350 2.416 20 5 DEBDMO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C)CC1 ZINC000042097608 354188208 /nfs/dbraw/zinc/18/82/08/354188208.db2.gz HQFSPACREMGGRA-MRXNPFEDSA-N 1 1 324.400 2.418 20 5 DEBDMO COC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000042567121 354200119 /nfs/dbraw/zinc/20/01/19/354200119.db2.gz CRPKWBWYUHANCM-LBPRGKRZSA-N 1 1 321.377 2.341 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000058283661 354589689 /nfs/dbraw/zinc/58/96/89/354589689.db2.gz BHTDWLUICSGQFE-VSGCLNPGSA-N 1 1 317.389 2.456 20 5 DEBDMO Cc1c(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000067635497 354771223 /nfs/dbraw/zinc/77/12/23/354771223.db2.gz XSIVPZGXCZDJLK-CYBMUJFWSA-N 1 1 305.378 2.363 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000069044891 354845371 /nfs/dbraw/zinc/84/53/71/354845371.db2.gz VNDUAFGSONXBBY-LBPRGKRZSA-N 1 1 320.393 2.027 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000072688487 354913138 /nfs/dbraw/zinc/91/31/38/354913138.db2.gz SWDCMFBCHNMHIC-LSDHHAIUSA-N 1 1 319.405 2.310 20 5 DEBDMO Cc1cc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000074772990 355048787 /nfs/dbraw/zinc/04/87/87/355048787.db2.gz RYTMUJJKURTJDU-CQSZACIVSA-N 1 1 304.394 2.466 20 5 DEBDMO CC1CCC([N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000075641516 355098734 /nfs/dbraw/zinc/09/87/34/355098734.db2.gz AKOQKLLTXJVPKW-ZUEPYMLJSA-N 1 1 322.409 2.195 20 5 DEBDMO CCN1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000075676980 355100525 /nfs/dbraw/zinc/10/05/25/355100525.db2.gz MUXFUOILZRGQJZ-UHFFFAOYSA-N 1 1 310.373 2.173 20 5 DEBDMO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCOCC1 ZINC000078548715 355267008 /nfs/dbraw/zinc/26/70/08/355267008.db2.gz JNZHBOJZHKQRRK-AWEZNQCLSA-N 1 1 308.382 2.149 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000246524097 283095041 /nfs/dbraw/zinc/09/50/41/283095041.db2.gz RLXTZUDGQHLQAV-GXTWGEPZSA-N 1 1 303.362 2.151 20 5 DEBDMO COC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000078728058 355275715 /nfs/dbraw/zinc/27/57/15/355275715.db2.gz VQTJYRLWSNPRLK-HNNXBMFYSA-N 1 1 322.361 2.139 20 5 DEBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000092046361 355616346 /nfs/dbraw/zinc/61/63/46/355616346.db2.gz LGDRAQQHUFDKAH-CQSZACIVSA-N 1 1 305.378 2.361 20 5 DEBDMO COCCO[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000179366115 356023470 /nfs/dbraw/zinc/02/34/70/356023470.db2.gz ONSWNMDVOWULLZ-INIZCTEOSA-N 1 1 308.378 2.265 20 5 DEBDMO C[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184232065 356188653 /nfs/dbraw/zinc/18/86/53/356188653.db2.gz HBTVIMWUYOBBSK-DGCLKSJQSA-N 1 1 323.368 2.390 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185165362 356202145 /nfs/dbraw/zinc/20/21/45/356202145.db2.gz RYRUNCZEZNIUCY-NSHDSACASA-N 1 1 311.357 2.294 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293280314 356388640 /nfs/dbraw/zinc/38/86/40/356388640.db2.gz VJGKVZSCWQGUBH-ZDUSSCGKSA-N 1 1 324.377 2.077 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000318615008 356437672 /nfs/dbraw/zinc/43/76/72/356437672.db2.gz JHOQWCRLOJBRSK-LLVKDONJSA-N 1 1 308.382 2.097 20 5 DEBDMO CNc1ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000320224331 356444663 /nfs/dbraw/zinc/44/46/63/356444663.db2.gz TVJJFMSNCXGPHJ-LLVKDONJSA-N 1 1 308.382 2.095 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCc4[nH+]ccn43)n2)o1 ZINC000351144336 356621592 /nfs/dbraw/zinc/62/15/92/356621592.db2.gz HYGJMQCPVXNZDG-MRVPVSSYSA-N 1 1 301.262 2.360 20 5 DEBDMO Cc1occc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000579567357 356995091 /nfs/dbraw/zinc/99/50/91/356995091.db2.gz RXLRCZXFNQPCKX-UHFFFAOYSA-N 1 1 302.334 2.213 20 5 DEBDMO Cc1ccn(CC[N@H+](C)Cc2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000430169836 283238289 /nfs/dbraw/zinc/23/82/89/283238289.db2.gz UESYBYCKKVUPQK-UHFFFAOYSA-N 1 1 301.346 2.197 20 5 DEBDMO C[C@@H]1C[N@H+](CCNc2nccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000581772704 357246940 /nfs/dbraw/zinc/24/69/40/357246940.db2.gz PVGUHVIVPGYAAA-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@@H]1C[N@@H+](CCNc2nccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000581772704 357246949 /nfs/dbraw/zinc/24/69/49/357246949.db2.gz PVGUHVIVPGYAAA-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000590703980 357587621 /nfs/dbraw/zinc/58/76/21/357587621.db2.gz ZORWRRUQJDFOCJ-LLVKDONJSA-N 1 1 307.398 2.040 20 5 DEBDMO C[C@H]1COCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591020010 357661839 /nfs/dbraw/zinc/66/18/39/357661839.db2.gz YBYQHBGXNSROSB-LBPRGKRZSA-N 1 1 307.350 2.034 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000591464240 357727222 /nfs/dbraw/zinc/72/72/22/357727222.db2.gz XSAPCPDABHCYKD-GFCCVEGCSA-N 1 1 301.350 2.068 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000591529860 357733383 /nfs/dbraw/zinc/73/33/83/357733383.db2.gz IFLUQASQAAGDKS-ZDUSSCGKSA-N 1 1 305.378 2.378 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000591529860 357733386 /nfs/dbraw/zinc/73/33/86/357733386.db2.gz IFLUQASQAAGDKS-ZDUSSCGKSA-N 1 1 305.378 2.378 20 5 DEBDMO CCCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000591934372 357800999 /nfs/dbraw/zinc/80/09/99/357800999.db2.gz XCVUTYNKBODWEX-HNNXBMFYSA-N 1 1 320.393 2.221 20 5 DEBDMO CC[N@@H+](CCSC)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000592205213 357851807 /nfs/dbraw/zinc/85/18/07/357851807.db2.gz XQNFPUAZDHWNQT-AWEZNQCLSA-N 1 1 323.418 2.385 20 5 DEBDMO CCOC(=O)c1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000592509537 357890189 /nfs/dbraw/zinc/89/01/89/357890189.db2.gz ODROGEZSNONMHO-UHFFFAOYSA-N 1 1 318.333 2.093 20 5 DEBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592770743 357940185 /nfs/dbraw/zinc/94/01/85/357940185.db2.gz CBYIKKSSASRNMT-YRGRVCCFSA-N 1 1 305.378 2.421 20 5 DEBDMO C[C@@H]1[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000592801232 357947151 /nfs/dbraw/zinc/94/71/51/357947151.db2.gz KFOKQALWFXAUKF-VXGBXAGGSA-N 1 1 305.378 2.286 20 5 DEBDMO CCCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592829752 357953441 /nfs/dbraw/zinc/95/34/41/357953441.db2.gz XVWLRWONRWVXCK-INIZCTEOSA-N 1 1 319.405 2.470 20 5 DEBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000593030152 357991923 /nfs/dbraw/zinc/99/19/23/357991923.db2.gz JGOIOQOEFYTBPQ-KGLIPLIRSA-N 1 1 321.352 2.019 20 5 DEBDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000593055823 357996959 /nfs/dbraw/zinc/99/69/59/357996959.db2.gz RLVYDSXBIFGXKR-AWEZNQCLSA-N 1 1 321.377 2.083 20 5 DEBDMO COc1cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000593189238 358031179 /nfs/dbraw/zinc/03/11/79/358031179.db2.gz YPWOXSIDLJJGSU-GRYCIOLGSA-N 1 1 321.377 2.157 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@H](C)O)C1CC1 ZINC000594064272 358200292 /nfs/dbraw/zinc/20/02/92/358200292.db2.gz MHTXGLFFCCRCES-LBPRGKRZSA-N 1 1 321.377 2.077 20 5 DEBDMO C[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594503215 358285421 /nfs/dbraw/zinc/28/54/21/358285421.db2.gz HCBQVMDHUNYTBE-CXAGYDPISA-N 1 1 319.405 2.499 20 5 DEBDMO COc1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1[N+](=O)[O-] ZINC000594493023 358282636 /nfs/dbraw/zinc/28/26/36/358282636.db2.gz DFMIZZXEXROQNV-GFCCVEGCSA-N 1 1 302.334 2.425 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000595039110 358382152 /nfs/dbraw/zinc/38/21/52/358382152.db2.gz CWMKYOKTWRUUEB-RDDDGLTNSA-N 1 1 308.256 2.177 20 5 DEBDMO C[C@@H](C[NH+](C)C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000594951599 358367711 /nfs/dbraw/zinc/36/77/11/358367711.db2.gz CHMIUORMXJMQQG-LBPRGKRZSA-N 1 1 317.393 2.035 20 5 DEBDMO CCOC(=O)CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])CC1CC1 ZINC000595298063 358415725 /nfs/dbraw/zinc/41/57/25/358415725.db2.gz OHBYEYKGHVNNGB-UHFFFAOYSA-N 1 1 311.338 2.056 20 5 DEBDMO CCOC(=O)CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC1CC1 ZINC000595298063 358415729 /nfs/dbraw/zinc/41/57/29/358415729.db2.gz OHBYEYKGHVNNGB-UHFFFAOYSA-N 1 1 311.338 2.056 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000595397213 358439730 /nfs/dbraw/zinc/43/97/30/358439730.db2.gz ORGJIAJXNULHSE-LBPRGKRZSA-N 1 1 319.340 2.238 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595812752 358555009 /nfs/dbraw/zinc/55/50/09/358555009.db2.gz YQYQSQBQLFGYDR-VXGBXAGGSA-N 1 1 317.345 2.235 20 5 DEBDMO O=C1[C@H]([N@H+]2CC[C@H]3C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595813220 358555027 /nfs/dbraw/zinc/55/50/27/358555027.db2.gz ZAPZNEPTBUMYCU-SLEUVZQESA-N 1 1 301.346 2.042 20 5 DEBDMO Cc1c(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000595831570 358558406 /nfs/dbraw/zinc/55/84/06/358558406.db2.gz KAILBORQIZMESG-CQSZACIVSA-N 1 1 317.389 2.348 20 5 DEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC000595741061 358538121 /nfs/dbraw/zinc/53/81/21/358538121.db2.gz URMJCFOGVQCKLI-GOEBONIOSA-N 1 1 322.409 2.054 20 5 DEBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@H+]1CCCC[C@@H]1C ZINC000596075220 358604350 /nfs/dbraw/zinc/60/43/50/358604350.db2.gz ZKJPOZJDFUJUFA-RYUDHWBXSA-N 1 1 320.393 2.369 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596081399 358605988 /nfs/dbraw/zinc/60/59/88/358605988.db2.gz IBUIDLNVQMFUCL-FRRDWIJNSA-N 1 1 319.409 2.414 20 5 DEBDMO Cc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])s1 ZINC000596054327 358599502 /nfs/dbraw/zinc/59/95/02/358599502.db2.gz RACSSLTYZQOWDP-LBPRGKRZSA-N 1 1 311.407 2.266 20 5 DEBDMO O=c1[nH]ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596054398 358599575 /nfs/dbraw/zinc/59/95/75/358599575.db2.gz SSTGPZIAFIKBOX-ZDUSSCGKSA-N 1 1 314.345 2.382 20 5 DEBDMO NC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000596648238 358732196 /nfs/dbraw/zinc/73/21/96/358732196.db2.gz MXZWERZSNWKPSR-OLZOCXBDSA-N 1 1 307.398 2.136 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000597859942 359025714 /nfs/dbraw/zinc/02/57/14/359025714.db2.gz IKVIALWYNIJCJZ-NSHDSACASA-N 1 1 320.393 2.027 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000597926109 359044676 /nfs/dbraw/zinc/04/46/76/359044676.db2.gz VOAJMWQWCZMCHO-NSHDSACASA-N 1 1 321.377 2.206 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000598343859 359170514 /nfs/dbraw/zinc/17/05/14/359170514.db2.gz WWSRQEKEOBCLKI-ZDUSSCGKSA-N 1 1 319.405 2.473 20 5 DEBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000598560833 359241986 /nfs/dbraw/zinc/24/19/86/359241986.db2.gz NYQCJZVTBJHJQT-CQSZACIVSA-N 1 1 317.389 2.447 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598651806 359277613 /nfs/dbraw/zinc/27/76/13/359277613.db2.gz VYTOKGHUAQODIF-OCCSQVGLSA-N 1 1 308.378 2.444 20 5 DEBDMO CC(C)(C)Oc1cc(NCC[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199392 359430979 /nfs/dbraw/zinc/43/09/79/359430979.db2.gz JIVPUSDYXJSZSR-ZDUSSCGKSA-N 1 1 323.393 2.251 20 5 DEBDMO Cc1c(CN2CCC([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000599474895 359506191 /nfs/dbraw/zinc/50/61/91/359506191.db2.gz XAJFKTFDLDCFEI-UHFFFAOYSA-N 1 1 319.405 2.200 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000186908559 200029266 /nfs/dbraw/zinc/02/92/66/200029266.db2.gz CCQWFBOSLRYXEJ-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@@]1(CO)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000187598666 200133163 /nfs/dbraw/zinc/13/31/63/200133163.db2.gz MIMFLKRUYLBSGK-MRXNPFEDSA-N 1 1 308.378 2.458 20 5 DEBDMO COc1c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000600314148 359719574 /nfs/dbraw/zinc/71/95/74/359719574.db2.gz LRYDHLHTXWWVHQ-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO O=[N+]([O-])c1ccccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600765208 359823195 /nfs/dbraw/zinc/82/31/95/359823195.db2.gz UYNZTLCLCPXGFY-INIZCTEOSA-N 1 1 319.405 2.185 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000600998708 359887868 /nfs/dbraw/zinc/88/78/68/359887868.db2.gz PHTJFQLYQMNNEQ-VXGBXAGGSA-N 1 1 307.325 2.091 20 5 DEBDMO CN1CCC([N@@H+]2CC[C@@H](Nc3ccsc3[N+](=O)[O-])C2)CC1 ZINC000601116519 359927181 /nfs/dbraw/zinc/92/71/81/359927181.db2.gz MLHDWZDUDUQVAH-LLVKDONJSA-N 1 1 310.423 2.237 20 5 DEBDMO CN1CCC([N@H+]2CC[C@@H](Nc3ccsc3[N+](=O)[O-])C2)CC1 ZINC000601116519 359927185 /nfs/dbraw/zinc/92/71/85/359927185.db2.gz MLHDWZDUDUQVAH-LLVKDONJSA-N 1 1 310.423 2.237 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](n4cncn4)C3)c2c1 ZINC000601147363 359941749 /nfs/dbraw/zinc/94/17/49/359941749.db2.gz LROCXVWAHRZCDM-LBPRGKRZSA-N 1 1 310.317 2.186 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCOC(F)(F)F)nc2c1 ZINC000602647612 360474833 /nfs/dbraw/zinc/47/48/33/360474833.db2.gz VKEJQHFUADBLAE-UHFFFAOYSA-N 1 1 305.212 2.362 20 5 DEBDMO CC[C@@]1(O)CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000602738227 360528421 /nfs/dbraw/zinc/52/84/21/360528421.db2.gz BCZQMSLHSJTFIK-MRXNPFEDSA-N 1 1 322.361 2.103 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000602837710 360582553 /nfs/dbraw/zinc/58/25/53/360582553.db2.gz YZUSLUDVNJHIDY-CTASWTNQSA-N 1 1 302.378 2.244 20 5 DEBDMO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1ccco1 ZINC000602925600 360627908 /nfs/dbraw/zinc/62/79/08/360627908.db2.gz JCEDLMTXGSAYEY-OAHLLOKOSA-N 1 1 317.345 2.433 20 5 DEBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1ccco1 ZINC000602925600 360627914 /nfs/dbraw/zinc/62/79/14/360627914.db2.gz JCEDLMTXGSAYEY-OAHLLOKOSA-N 1 1 317.345 2.433 20 5 DEBDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000602926184 360628189 /nfs/dbraw/zinc/62/81/89/360628189.db2.gz FMOLHHQRFIYFRE-ZBEGNZNMSA-N 1 1 322.361 2.234 20 5 DEBDMO Cc1cc(NC(=O)N2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000602928040 360629819 /nfs/dbraw/zinc/62/98/19/360629819.db2.gz WAJUQZQZWWZMOJ-UHFFFAOYSA-N 1 1 306.366 2.461 20 5 DEBDMO CC1(F)CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000602993229 360659279 /nfs/dbraw/zinc/65/92/79/360659279.db2.gz UUVPQLPSRXYIFL-UHFFFAOYSA-N 1 1 321.352 2.308 20 5 DEBDMO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444592251 238195455 /nfs/dbraw/zinc/19/54/55/238195455.db2.gz CJDDGKZXFATVDT-HZMBPMFUSA-N 1 1 304.350 2.206 20 5 DEBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444592251 238195462 /nfs/dbraw/zinc/19/54/62/238195462.db2.gz CJDDGKZXFATVDT-HZMBPMFUSA-N 1 1 304.350 2.206 20 5 DEBDMO CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604273743 360894266 /nfs/dbraw/zinc/89/42/66/360894266.db2.gz FORUQAAVBXWQKE-LBPRGKRZSA-N 1 1 321.377 2.423 20 5 DEBDMO CC(C)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000609616266 361327037 /nfs/dbraw/zinc/32/70/37/361327037.db2.gz XXQCSRFRDDSGKX-ZDUSSCGKSA-N 1 1 311.407 2.393 20 5 DEBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610991087 361504669 /nfs/dbraw/zinc/50/46/69/361504669.db2.gz BIJVGHZYTAJHTN-JTQLQIEISA-N 1 1 319.317 2.264 20 5 DEBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610991087 361504674 /nfs/dbraw/zinc/50/46/74/361504674.db2.gz BIJVGHZYTAJHTN-JTQLQIEISA-N 1 1 319.317 2.264 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1C ZINC000611197258 361546217 /nfs/dbraw/zinc/54/62/17/361546217.db2.gz GKOSKRHZXCTZRK-NSHDSACASA-N 1 1 316.361 2.242 20 5 DEBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000611204562 361548039 /nfs/dbraw/zinc/54/80/39/361548039.db2.gz VZRZBOSLSWBSAX-CHWSQXEVSA-N 1 1 324.450 2.119 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(O)cc3)CC2)nc1 ZINC000611526442 361623603 /nfs/dbraw/zinc/62/36/03/361623603.db2.gz OZDYUGOUOGIHKU-UHFFFAOYSA-N 1 1 314.345 2.018 20 5 DEBDMO COCCC[N@@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000275449326 212340232 /nfs/dbraw/zinc/34/02/32/212340232.db2.gz LPUBPNLAFQPVQA-UHFFFAOYSA-N 1 1 302.758 2.079 20 5 DEBDMO COC1(C)CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271800574 209226470 /nfs/dbraw/zinc/22/64/70/209226470.db2.gz WMJINPZHJJIJPO-GFCCVEGCSA-N 1 1 321.377 2.423 20 5 DEBDMO CCOc1cccc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000450798399 242237344 /nfs/dbraw/zinc/23/73/44/242237344.db2.gz YXXRSTRNNPTTCN-BETUJISGSA-N 1 1 321.377 2.269 20 5 DEBDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543161 243091856 /nfs/dbraw/zinc/09/18/56/243091856.db2.gz BBVLGEFENJGNMQ-GXTWGEPZSA-N 1 1 317.389 2.441 20 5 DEBDMO CCN(C)C(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550464 243104227 /nfs/dbraw/zinc/10/42/27/243104227.db2.gz RVBYANBUIBRXDP-AWEZNQCLSA-N 1 1 305.378 2.253 20 5 DEBDMO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451566962 243136481 /nfs/dbraw/zinc/13/64/81/243136481.db2.gz MWSIQGMERXGZNJ-LALPHHSUSA-N 1 1 321.377 2.279 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000264666351 204065917 /nfs/dbraw/zinc/06/59/17/204065917.db2.gz ILKJNNJZIRBBLY-ZDUSSCGKSA-N 1 1 321.377 2.208 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([C@H](C)O)CC1 ZINC000264747753 204124365 /nfs/dbraw/zinc/12/43/65/204124365.db2.gz UIZNCRIXPHNXAQ-NEPJUHHUSA-N 1 1 321.377 2.015 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1F ZINC000282985565 217371087 /nfs/dbraw/zinc/37/10/87/217371087.db2.gz DQKYTBNBXDYKEG-CYBMUJFWSA-N 1 1 319.340 2.238 20 5 DEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000456379715 247140952 /nfs/dbraw/zinc/14/09/52/247140952.db2.gz NBAYEBDOQKQCTQ-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000456379715 247140955 /nfs/dbraw/zinc/14/09/55/247140955.db2.gz NBAYEBDOQKQCTQ-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO CCOc1cc(C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000493570608 249327611 /nfs/dbraw/zinc/32/76/11/249327611.db2.gz ABAHDVLJTPBTAH-AAEUAGOBSA-N 1 1 322.361 2.377 20 5 DEBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000042541143 183283098 /nfs/dbraw/zinc/28/30/98/183283098.db2.gz HZHUBGLNIJEBGT-UHFFFAOYSA-N 1 1 303.362 2.358 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000110995089 194378816 /nfs/dbraw/zinc/37/88/16/194378816.db2.gz CKAIARQQNXYCPC-GFCCVEGCSA-N 1 1 309.341 2.338 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000063527588 184284921 /nfs/dbraw/zinc/28/49/21/184284921.db2.gz HYQFQPPUCKLHRY-MRXNPFEDSA-N 1 1 303.362 2.153 20 5 DEBDMO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269192986 207311890 /nfs/dbraw/zinc/31/18/90/207311890.db2.gz OZLZUJANRRKSJZ-ZDUSSCGKSA-N 1 1 321.377 2.295 20 5 DEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269192986 207311893 /nfs/dbraw/zinc/31/18/93/207311893.db2.gz OZLZUJANRRKSJZ-ZDUSSCGKSA-N 1 1 321.377 2.295 20 5 DEBDMO CCOc1ccc(C(=O)NCC[N@@H+](C)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000066150069 184393029 /nfs/dbraw/zinc/39/30/29/184393029.db2.gz MCXDQSHXQIGVSW-GFCCVEGCSA-N 1 1 323.393 2.454 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCO)C2CCCCC2)c1 ZINC000270313370 208387550 /nfs/dbraw/zinc/38/75/50/208387550.db2.gz QDLUWZCCRLESKK-MRXNPFEDSA-N 1 1 308.378 2.255 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1 ZINC000281740617 285115758 /nfs/dbraw/zinc/11/57/58/285115758.db2.gz QJYHMEBXMURBMF-QGZVFWFLSA-N 1 1 314.341 2.355 20 5 DEBDMO CCCc1[nH+]ccn1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272932587 210319018 /nfs/dbraw/zinc/31/90/18/210319018.db2.gz LNPIZICPQGGEEB-LBPRGKRZSA-N 1 1 305.334 2.184 20 5 DEBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C1=CC[N@@H+](C)CC1 ZINC000272932103 210317957 /nfs/dbraw/zinc/31/79/57/210317957.db2.gz LENNFUDFABWXMS-JTQLQIEISA-N 1 1 307.325 2.114 20 5 DEBDMO COc1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1[N+](=O)[O-] ZINC000156553715 197122806 /nfs/dbraw/zinc/12/28/06/197122806.db2.gz BTXWISSIZKPRQA-UHFFFAOYSA-N 1 1 317.349 2.032 20 5 DEBDMO Cc1ccc([C@@H](C)NC[C@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000289499068 221020470 /nfs/dbraw/zinc/02/04/70/221020470.db2.gz KJQVZPKEOQGUQB-DOMZBBRYSA-N 1 1 307.394 2.009 20 5 DEBDMO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CN(C)C2CC2)cc1[N+](=O)[O-] ZINC000289499068 221020472 /nfs/dbraw/zinc/02/04/72/221020472.db2.gz KJQVZPKEOQGUQB-DOMZBBRYSA-N 1 1 307.394 2.009 20 5 DEBDMO Cc1cc(Cl)c(C(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000294929775 224318257 /nfs/dbraw/zinc/31/82/57/224318257.db2.gz UMCDZYXPWCRKPZ-UHFFFAOYSA-N 1 1 311.769 2.381 20 5 DEBDMO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1(F)F ZINC000289901897 221304255 /nfs/dbraw/zinc/30/42/55/221304255.db2.gz SLOJLRBNUOGBEN-SECBINFHSA-N 1 1 313.304 2.171 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1(F)F ZINC000289901897 221304258 /nfs/dbraw/zinc/30/42/58/221304258.db2.gz SLOJLRBNUOGBEN-SECBINFHSA-N 1 1 313.304 2.171 20 5 DEBDMO Cn1cc(-c2ncc(C[NH2+]Cc3ccccc3[N+](=O)[O-])cn2)cn1 ZINC000353931002 133012409 /nfs/dbraw/zinc/01/24/09/133012409.db2.gz PTFNAUPQIKDNAI-UHFFFAOYSA-N 1 1 324.344 2.075 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000355979263 133058706 /nfs/dbraw/zinc/05/87/06/133058706.db2.gz CRVZYOICFNVPEN-LBPRGKRZSA-N 1 1 321.377 2.208 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000359776958 133144001 /nfs/dbraw/zinc/14/40/01/133144001.db2.gz DBWWINNNWKXRGP-ZDUSSCGKSA-N 1 1 323.393 2.210 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1CO ZINC000362052245 133207599 /nfs/dbraw/zinc/20/75/99/133207599.db2.gz DKSJSSIVXMDGLP-AAEUAGOBSA-N 1 1 317.345 2.310 20 5 DEBDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000362279309 133221530 /nfs/dbraw/zinc/22/15/30/133221530.db2.gz LUQVSKVOYQDKSQ-JTQLQIEISA-N 1 1 320.397 2.439 20 5 DEBDMO CSc1cccc(C(=O)NCC2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000362419802 133229209 /nfs/dbraw/zinc/22/92/09/133229209.db2.gz PMDWHNRCXBYIEP-UHFFFAOYSA-N 1 1 321.402 2.308 20 5 DEBDMO CNc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000562970491 292020657 /nfs/dbraw/zinc/02/06/57/292020657.db2.gz GSZOYJAONCPLQJ-CYBMUJFWSA-N 1 1 320.393 2.191 20 5 DEBDMO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000362607207 133241350 /nfs/dbraw/zinc/24/13/50/133241350.db2.gz UDYVZBUJTCFHFB-GFCCVEGCSA-N 1 1 323.393 2.209 20 5 DEBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000362607207 133241351 /nfs/dbraw/zinc/24/13/51/133241351.db2.gz UDYVZBUJTCFHFB-GFCCVEGCSA-N 1 1 323.393 2.209 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000373919887 133408867 /nfs/dbraw/zinc/40/88/67/133408867.db2.gz FDFZSVNZPVQENV-AAEUAGOBSA-N 1 1 321.333 2.361 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000247009558 145122890 /nfs/dbraw/zinc/12/28/90/145122890.db2.gz ZBTMJZCZTYGDKI-XJKSGUPXSA-N 1 1 306.362 2.475 20 5 DEBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248435387 145154723 /nfs/dbraw/zinc/15/47/23/145154723.db2.gz ACDPJAPNCJYDPU-HZSPNIEDSA-N 1 1 308.378 2.455 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000249092958 145178500 /nfs/dbraw/zinc/17/85/00/145178500.db2.gz OGXYIHIPHYQLBI-BXUZGUMPSA-N 1 1 322.361 2.234 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000249092958 145178502 /nfs/dbraw/zinc/17/85/02/145178502.db2.gz OGXYIHIPHYQLBI-BXUZGUMPSA-N 1 1 322.361 2.234 20 5 DEBDMO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000305883138 145348633 /nfs/dbraw/zinc/34/86/33/145348633.db2.gz WIYFRMVQEQGGJE-VHSXEESVSA-N 1 1 316.304 2.399 20 5 DEBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000305883138 145348634 /nfs/dbraw/zinc/34/86/34/145348634.db2.gz WIYFRMVQEQGGJE-VHSXEESVSA-N 1 1 316.304 2.399 20 5 DEBDMO Cc1cccc(NCCNC(=O)c2ccc([N+](=O)[O-])s2)[nH+]1 ZINC000346267143 146050015 /nfs/dbraw/zinc/05/00/15/146050015.db2.gz TUQYBPJHXQUZCT-UHFFFAOYSA-N 1 1 306.347 2.202 20 5 DEBDMO C[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000358681648 147180689 /nfs/dbraw/zinc/18/06/89/147180689.db2.gz OYUIHPAZMRZZMS-STQMWFEESA-N 1 1 319.405 2.423 20 5 DEBDMO Nc1ccc([N+](=O)[O-])c(NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000370284812 148002523 /nfs/dbraw/zinc/00/25/23/148002523.db2.gz GXPYAKCDQYZIAK-UHFFFAOYSA-N 1 1 301.350 2.364 20 5 DEBDMO Cc1nc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000370564372 148031630 /nfs/dbraw/zinc/03/16/30/148031630.db2.gz AXMLEBLXHCKIHI-DZGCQCFKSA-N 1 1 320.393 2.354 20 5 DEBDMO Cc1ccccc1[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000371089337 148061478 /nfs/dbraw/zinc/06/14/78/148061478.db2.gz PZUPTUKHPLNEDK-HNNXBMFYSA-N 1 1 316.361 2.173 20 5 DEBDMO Cc1ccccc1[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000371089337 148061481 /nfs/dbraw/zinc/06/14/81/148061481.db2.gz PZUPTUKHPLNEDK-HNNXBMFYSA-N 1 1 316.361 2.173 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374402596 148242352 /nfs/dbraw/zinc/24/23/52/148242352.db2.gz TVBYJRONHJVYJV-CHWSQXEVSA-N 1 1 306.362 2.462 20 5 DEBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000375382190 148365655 /nfs/dbraw/zinc/36/56/55/148365655.db2.gz VSTCMGYELWWTTM-UHFFFAOYSA-N 1 1 300.318 2.058 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115436904 401827436 /nfs/dbraw/zinc/82/74/36/401827436.db2.gz RONSUYURJSYFTR-CYBMUJFWSA-N 1 1 305.378 2.317 20 5 DEBDMO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000115437712 401827904 /nfs/dbraw/zinc/82/79/04/401827904.db2.gz MPEPDAZHNFTLKB-CYBMUJFWSA-N 1 1 305.378 2.317 20 5 DEBDMO O=[N+]([O-])c1ccc(CCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000026728924 401841748 /nfs/dbraw/zinc/84/17/48/401841748.db2.gz UYMDZVZLXZFRAX-UHFFFAOYSA-N 1 1 312.373 2.355 20 5 DEBDMO NC(=O)C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119273034 401937532 /nfs/dbraw/zinc/93/75/32/401937532.db2.gz HLTKVSPHWSSNHD-JTQLQIEISA-N 1 1 311.769 2.336 20 5 DEBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119273034 401937534 /nfs/dbraw/zinc/93/75/34/401937534.db2.gz HLTKVSPHWSSNHD-JTQLQIEISA-N 1 1 311.769 2.336 20 5 DEBDMO CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000135426726 401938755 /nfs/dbraw/zinc/93/87/55/401938755.db2.gz CRYYEDOLBVQKJR-LLVKDONJSA-N 1 1 309.391 2.361 20 5 DEBDMO CSC[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000135426726 401938758 /nfs/dbraw/zinc/93/87/58/401938758.db2.gz CRYYEDOLBVQKJR-LLVKDONJSA-N 1 1 309.391 2.361 20 5 DEBDMO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000153616270 402157152 /nfs/dbraw/zinc/15/71/52/402157152.db2.gz FKURSWNTVOITPA-LBPRGKRZSA-N 1 1 311.769 2.414 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCO)CCCO)o2)cc1 ZINC000124429619 402179902 /nfs/dbraw/zinc/17/99/02/402179902.db2.gz WAYVOUBBVGUSLQ-UHFFFAOYSA-N 1 1 320.345 2.032 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000153959299 402183059 /nfs/dbraw/zinc/18/30/59/402183059.db2.gz MYTVVUSTPSSONM-YXMGTMDOSA-N 1 1 317.389 2.407 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000154029115 402188092 /nfs/dbraw/zinc/18/80/92/402188092.db2.gz DTKCUOWDXZVTDM-OAHLLOKOSA-N 1 1 305.378 2.315 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000154029115 402188095 /nfs/dbraw/zinc/18/80/95/402188095.db2.gz DTKCUOWDXZVTDM-OAHLLOKOSA-N 1 1 305.378 2.315 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153728288 402165781 /nfs/dbraw/zinc/16/57/81/402165781.db2.gz NUFMTXKSMVWBDV-YPMHNXCESA-N 1 1 319.361 2.277 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000107888649 402242482 /nfs/dbraw/zinc/24/24/82/402242482.db2.gz YAPYEIJFXIYVQV-GFCCVEGCSA-N 1 1 323.418 2.145 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000068937133 402209670 /nfs/dbraw/zinc/20/96/70/402209670.db2.gz AZLFYEABAVHYRH-NSHDSACASA-N 1 1 309.341 2.196 20 5 DEBDMO Cc1cc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177189409 402379686 /nfs/dbraw/zinc/37/96/86/402379686.db2.gz NPQHNFSYYZVHBX-WCQYABFASA-N 1 1 303.362 2.258 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000177662102 402424446 /nfs/dbraw/zinc/42/44/46/402424446.db2.gz SBRQNZQTWRIDNZ-WCQYABFASA-N 1 1 318.377 2.019 20 5 DEBDMO CNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245538399 402469168 /nfs/dbraw/zinc/46/91/68/402469168.db2.gz YZCVXOZWUCIJCU-QWHCGFSZSA-N 1 1 305.378 2.422 20 5 DEBDMO COCC[N@H+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000245771481 402487080 /nfs/dbraw/zinc/48/70/80/402487080.db2.gz RVYISTLOHGNXPM-AWEZNQCLSA-N 1 1 307.394 2.056 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000178519628 402506702 /nfs/dbraw/zinc/50/67/02/402506702.db2.gz PPEHKCNYBZSSBR-PWSUYJOCSA-N 1 1 309.391 2.213 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000247485923 402568638 /nfs/dbraw/zinc/56/86/38/402568638.db2.gz TXMSERFNHSNLAM-GXFFZTMASA-N 1 1 309.341 2.146 20 5 DEBDMO CC[C@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000247685812 402574384 /nfs/dbraw/zinc/57/43/84/402574384.db2.gz UYYYDWDSMGLVGK-OLZOCXBDSA-N 1 1 324.377 2.482 20 5 DEBDMO CC[C@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000247685812 402574386 /nfs/dbraw/zinc/57/43/86/402574386.db2.gz UYYYDWDSMGLVGK-OLZOCXBDSA-N 1 1 324.377 2.482 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248357183 402587240 /nfs/dbraw/zinc/58/72/40/402587240.db2.gz PEORYDLFYUHWQY-QWRGUYRKSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248357183 402587243 /nfs/dbraw/zinc/58/72/43/402587243.db2.gz PEORYDLFYUHWQY-QWRGUYRKSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc(CN2CC[N@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000248366612 402587462 /nfs/dbraw/zinc/58/74/62/402587462.db2.gz SIYFBHJHSLYVBC-AWEZNQCLSA-N 1 1 305.378 2.274 20 5 DEBDMO C[C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000248567298 402596386 /nfs/dbraw/zinc/59/63/86/402596386.db2.gz LEJKYQQABRTFQJ-AAEUAGOBSA-N 1 1 321.352 2.144 20 5 DEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000248753152 402607308 /nfs/dbraw/zinc/60/73/08/402607308.db2.gz HQLJFOPJHIJXTN-VXGBXAGGSA-N 1 1 320.393 2.148 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255377472 402685830 /nfs/dbraw/zinc/68/58/30/402685830.db2.gz CHLLDXLYBTZEPM-RDIZVCBXSA-N 1 1 317.389 2.407 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255637395 402693321 /nfs/dbraw/zinc/69/33/21/402693321.db2.gz GIPYEFUMNGJSAS-SZNGSJQDSA-N 1 1 305.378 2.455 20 5 DEBDMO COc1cccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000192581621 402738036 /nfs/dbraw/zinc/73/80/36/402738036.db2.gz FMSOPAJACFSYRM-GFCCVEGCSA-N 1 1 321.377 2.017 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000192694044 402744150 /nfs/dbraw/zinc/74/41/50/402744150.db2.gz YMQUHBMNXOAHGF-OLZOCXBDSA-N 1 1 307.398 2.040 20 5 DEBDMO CN(c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H]1CCC[N@@H+](C)C1 ZINC000175047585 402774284 /nfs/dbraw/zinc/77/42/84/402774284.db2.gz GZOKCVLJAMKEKH-LBPRGKRZSA-N 1 1 318.377 2.010 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCOC(C)(C)C1 ZINC000175075656 402776384 /nfs/dbraw/zinc/77/63/84/402776384.db2.gz UCYPUVSQYRFQQZ-UHFFFAOYSA-N 1 1 323.393 2.264 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCOC(C)(C)C1 ZINC000175075656 402776387 /nfs/dbraw/zinc/77/63/87/402776387.db2.gz UCYPUVSQYRFQQZ-UHFFFAOYSA-N 1 1 323.393 2.264 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000175098968 402779211 /nfs/dbraw/zinc/77/92/11/402779211.db2.gz IQJITEWUNRVNQZ-UHFFFAOYSA-N 1 1 321.377 2.081 20 5 DEBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195090382 402831106 /nfs/dbraw/zinc/83/11/06/402831106.db2.gz CULOBEKWXCFJLT-XVJNWHFHSA-N 1 1 315.373 2.305 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1cnccn1 ZINC000271324626 402857996 /nfs/dbraw/zinc/85/79/96/402857996.db2.gz KRMFHSSYYVQLBL-UHFFFAOYSA-N 1 1 302.334 2.068 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCc1cnccn1 ZINC000271324626 402857999 /nfs/dbraw/zinc/85/79/99/402857999.db2.gz KRMFHSSYYVQLBL-UHFFFAOYSA-N 1 1 302.334 2.068 20 5 DEBDMO CCC[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265809961 402952323 /nfs/dbraw/zinc/95/23/23/402952323.db2.gz OZELZOANCVMBOQ-UHFFFAOYSA-N 1 1 319.405 2.427 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000266882066 402996802 /nfs/dbraw/zinc/99/68/02/402996802.db2.gz ARRZNMQGUUJQFG-ZDUSSCGKSA-N 1 1 304.325 2.420 20 5 DEBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000280510788 403007876 /nfs/dbraw/zinc/00/78/76/403007876.db2.gz NMYQUYVEZWOKGX-INIZCTEOSA-N 1 1 321.377 2.085 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000274278473 403040874 /nfs/dbraw/zinc/04/08/74/403040874.db2.gz ODPYRQVSSUXHDT-GFCCVEGCSA-N 1 1 306.366 2.427 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000274440367 403055674 /nfs/dbraw/zinc/05/56/74/403055674.db2.gz HKKFVQOHEHRYOJ-LBPRGKRZSA-N 1 1 321.377 2.206 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000268351998 403075766 /nfs/dbraw/zinc/07/57/66/403075766.db2.gz RNONUMRNIFJKOT-GUTXKFCHSA-N 1 1 306.362 2.066 20 5 DEBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000268364972 403077017 /nfs/dbraw/zinc/07/70/17/403077017.db2.gz UDILATJJYMGIND-UHFFFAOYSA-N 1 1 321.377 2.016 20 5 DEBDMO CC[C@H]1CN(c2cccc(C)c2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000275473150 403103434 /nfs/dbraw/zinc/10/34/34/403103434.db2.gz OMAKKQYYVVYSRN-KGLIPLIRSA-N 1 1 307.394 2.185 20 5 DEBDMO CC(C)NC(=O)NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000566675966 292260507 /nfs/dbraw/zinc/26/05/07/292260507.db2.gz KQLLDSYTJQIQBB-UHFFFAOYSA-N 1 1 320.393 2.267 20 5 DEBDMO Cc1c(CC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000269630015 403151788 /nfs/dbraw/zinc/15/17/88/403151788.db2.gz PFSOMISPCJDPLP-HOCLYGCPSA-N 1 1 317.389 2.189 20 5 DEBDMO C[C@H](CO)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000276453041 403176635 /nfs/dbraw/zinc/17/66/35/403176635.db2.gz NGWXAIFBOHYGDF-WBMJQRKESA-N 1 1 308.378 2.254 20 5 DEBDMO CCOCCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283227435 403182115 /nfs/dbraw/zinc/18/21/15/403182115.db2.gz TZVGDLHOINWJGM-ZDUSSCGKSA-N 1 1 312.341 2.361 20 5 DEBDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283227435 403182118 /nfs/dbraw/zinc/18/21/18/403182118.db2.gz TZVGDLHOINWJGM-ZDUSSCGKSA-N 1 1 312.341 2.361 20 5 DEBDMO CCC[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000270965905 403246040 /nfs/dbraw/zinc/24/60/40/403246040.db2.gz OWCBWMKEGIWBBD-AWEZNQCLSA-N 1 1 322.409 2.235 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000284145667 403249357 /nfs/dbraw/zinc/24/93/57/403249357.db2.gz PBFAVHOBXNHPQL-LBPRGKRZSA-N 1 1 309.322 2.240 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000284145667 403249359 /nfs/dbraw/zinc/24/93/59/403249359.db2.gz PBFAVHOBXNHPQL-LBPRGKRZSA-N 1 1 309.322 2.240 20 5 DEBDMO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])s1 ZINC000277738517 403251243 /nfs/dbraw/zinc/25/12/43/403251243.db2.gz BJRRMDQVZKIGIR-LLVKDONJSA-N 1 1 309.391 2.403 20 5 DEBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])s1 ZINC000277738517 403251244 /nfs/dbraw/zinc/25/12/44/403251244.db2.gz BJRRMDQVZKIGIR-LLVKDONJSA-N 1 1 309.391 2.403 20 5 DEBDMO CO[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000285460592 403302109 /nfs/dbraw/zinc/30/21/09/403302109.db2.gz AMZWXEQRUBWHTF-PWSUYJOCSA-N 1 1 309.366 2.197 20 5 DEBDMO CO[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000285460592 403302112 /nfs/dbraw/zinc/30/21/12/403302112.db2.gz AMZWXEQRUBWHTF-PWSUYJOCSA-N 1 1 309.366 2.197 20 5 DEBDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCC[N@H+]1C ZINC000345332620 403289683 /nfs/dbraw/zinc/28/96/83/403289683.db2.gz YUJJKZHSXSTCTM-HZMBPMFUSA-N 1 1 316.361 2.289 20 5 DEBDMO COc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000331106636 403330216 /nfs/dbraw/zinc/33/02/16/403330216.db2.gz QZZLWROMPLTYIW-QWRGUYRKSA-N 1 1 321.377 2.076 20 5 DEBDMO COc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000331106636 403330218 /nfs/dbraw/zinc/33/02/18/403330218.db2.gz QZZLWROMPLTYIW-QWRGUYRKSA-N 1 1 321.377 2.076 20 5 DEBDMO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1O ZINC000339061920 403341414 /nfs/dbraw/zinc/34/14/14/403341414.db2.gz SQLNYBIEOQRHJS-QPUJVOFHSA-N 1 1 304.268 2.426 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1O ZINC000339061920 403341416 /nfs/dbraw/zinc/34/14/16/403341416.db2.gz SQLNYBIEOQRHJS-QPUJVOFHSA-N 1 1 304.268 2.426 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000292642190 403372812 /nfs/dbraw/zinc/37/28/12/403372812.db2.gz BAGUYAFVRWUBLK-HNNXBMFYSA-N 1 1 320.349 2.425 20 5 DEBDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000298546575 403410439 /nfs/dbraw/zinc/41/04/39/403410439.db2.gz YDIIWFJCZFJZTM-LLVKDONJSA-N 1 1 309.366 2.015 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000339679895 403414083 /nfs/dbraw/zinc/41/40/83/403414083.db2.gz RYNQSIDNFVPFKT-ZBFHGGJFSA-N 1 1 320.389 2.457 20 5 DEBDMO Cc1cc(N(C)CCC[NH+]2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000292512347 403367109 /nfs/dbraw/zinc/36/71/09/403367109.db2.gz GMAOGNOLZGHDLT-UHFFFAOYSA-N 1 1 324.400 2.116 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](CO)CC3)nc2c1 ZINC000339747899 403438364 /nfs/dbraw/zinc/43/83/64/403438364.db2.gz YCKIOXVRMRSYIE-LLVKDONJSA-N 1 1 304.350 2.066 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](CO)CC3)nc2c1 ZINC000339747899 403438367 /nfs/dbraw/zinc/43/83/67/403438367.db2.gz YCKIOXVRMRSYIE-LLVKDONJSA-N 1 1 304.350 2.066 20 5 DEBDMO COCCC[N@@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000298776156 403461356 /nfs/dbraw/zinc/46/13/56/403461356.db2.gz JAAQZJBPPZHDTE-UHFFFAOYSA-N 1 1 312.366 2.088 20 5 DEBDMO COC(=O)[C@H]1CSCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000332234002 403523984 /nfs/dbraw/zinc/52/39/84/403523984.db2.gz QDNMVGKXMSLTRK-WCQYABFASA-N 1 1 324.402 2.494 20 5 DEBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332197954 403511850 /nfs/dbraw/zinc/51/18/50/403511850.db2.gz CRPOQXADBXCIQG-PEGIJTEDSA-N 1 1 304.350 2.205 20 5 DEBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332197954 403511855 /nfs/dbraw/zinc/51/18/55/403511855.db2.gz CRPOQXADBXCIQG-PEGIJTEDSA-N 1 1 304.350 2.205 20 5 DEBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332205212 403514645 /nfs/dbraw/zinc/51/46/45/403514645.db2.gz IOUGENFKVBOXJB-ZETOZRRWSA-N 1 1 318.377 2.452 20 5 DEBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332205212 403514648 /nfs/dbraw/zinc/51/46/48/403514648.db2.gz IOUGENFKVBOXJB-ZETOZRRWSA-N 1 1 318.377 2.452 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000332221365 403519695 /nfs/dbraw/zinc/51/96/95/403519695.db2.gz ARMUQRUKISKHGW-GHMZBOCLSA-N 1 1 316.361 2.289 20 5 DEBDMO C[C@@H]1[C@@H](NC(=O)CSc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343428567 403586745 /nfs/dbraw/zinc/58/67/45/403586745.db2.gz HCOWUWVXVPBCRE-NEPJUHHUSA-N 1 1 323.418 2.286 20 5 DEBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCCC[C@H]1O ZINC000332358940 403559711 /nfs/dbraw/zinc/55/97/11/403559711.db2.gz WLFFKVQCBHSIAD-XHDPSFHLSA-N 1 1 318.377 2.454 20 5 DEBDMO CCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343420283 403581687 /nfs/dbraw/zinc/58/16/87/403581687.db2.gz AHKNOCMZAQQETK-BXUZGUMPSA-N 1 1 305.378 2.370 20 5 DEBDMO CC[C@H](C)[N@@H+](CCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000287608644 403633643 /nfs/dbraw/zinc/63/36/43/403633643.db2.gz ZETNIBDJCOUSIK-JTQLQIEISA-N 1 1 300.330 2.335 20 5 DEBDMO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000294072864 403641042 /nfs/dbraw/zinc/64/10/42/403641042.db2.gz VXXXFSIUHFSWHI-UVHIWXSVSA-N 1 1 303.362 2.159 20 5 DEBDMO CCOc1cc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000301525526 403642053 /nfs/dbraw/zinc/64/20/53/403642053.db2.gz NAEWQJQNMJUEBP-CQSZACIVSA-N 1 1 321.377 2.269 20 5 DEBDMO CCOc1cc(NC[C@@H]2C[N@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000301525526 403642057 /nfs/dbraw/zinc/64/20/57/403642057.db2.gz NAEWQJQNMJUEBP-CQSZACIVSA-N 1 1 321.377 2.269 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000294166710 403662991 /nfs/dbraw/zinc/66/29/91/403662991.db2.gz IPFSZUPTJLDCBC-TXEJJXNPSA-N 1 1 306.366 2.460 20 5 DEBDMO Cc1ccnc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000301704627 403666986 /nfs/dbraw/zinc/66/69/86/403666986.db2.gz HZNWHCHIUMAHDB-CYBMUJFWSA-N 1 1 315.377 2.491 20 5 DEBDMO C[C@]1(F)CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000347339297 403670511 /nfs/dbraw/zinc/67/05/11/403670511.db2.gz FBROMPBTSQKEGG-HNNXBMFYSA-N 1 1 323.324 2.327 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000294332400 403705364 /nfs/dbraw/zinc/70/53/64/403705364.db2.gz XNXSKEURDFFFNH-KRWDZBQOSA-N 1 1 317.389 2.461 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000288410924 403748961 /nfs/dbraw/zinc/74/89/61/403748961.db2.gz LRACGJFEJPZKAN-GFCCVEGCSA-N 1 1 305.378 2.323 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000288410924 403748962 /nfs/dbraw/zinc/74/89/62/403748962.db2.gz LRACGJFEJPZKAN-GFCCVEGCSA-N 1 1 305.378 2.323 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000295187135 403788155 /nfs/dbraw/zinc/78/81/55/403788155.db2.gz WTRYJOYIHQUBOJ-AWEZNQCLSA-N 1 1 307.350 2.176 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000295187135 403788157 /nfs/dbraw/zinc/78/81/57/403788157.db2.gz WTRYJOYIHQUBOJ-AWEZNQCLSA-N 1 1 307.350 2.176 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000411397736 403844648 /nfs/dbraw/zinc/84/46/48/403844648.db2.gz MUATYWZQQLIWGG-WFASDCNBSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295318392 403852633 /nfs/dbraw/zinc/85/26/33/403852633.db2.gz WNUACRVDBBLEMX-ZDUSSCGKSA-N 1 1 315.732 2.022 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347773162 403861034 /nfs/dbraw/zinc/86/10/34/403861034.db2.gz GOLVZYHSFMMKNX-CYBMUJFWSA-N 1 1 309.341 2.338 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(C)(C)CO ZINC000295343341 403869043 /nfs/dbraw/zinc/86/90/43/403869043.db2.gz YANNLRFEPQHUFI-UHFFFAOYSA-N 1 1 323.393 2.182 20 5 DEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000289277345 403893355 /nfs/dbraw/zinc/89/33/55/403893355.db2.gz FRELVDDMQPTOHW-MRXNPFEDSA-N 1 1 323.393 2.372 20 5 DEBDMO CC[C@@]1(CO)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411624406 403916158 /nfs/dbraw/zinc/91/61/58/403916158.db2.gz UHCIIMDJGXYMDF-INIZCTEOSA-N 1 1 321.377 2.160 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000295424321 403917506 /nfs/dbraw/zinc/91/75/06/403917506.db2.gz UJKGQDPOCBGVBZ-GHMZBOCLSA-N 1 1 318.333 2.212 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000295424321 403917515 /nfs/dbraw/zinc/91/75/15/403917515.db2.gz UJKGQDPOCBGVBZ-GHMZBOCLSA-N 1 1 318.333 2.212 20 5 DEBDMO Cc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])s3)CC2)c1 ZINC000337006166 403954302 /nfs/dbraw/zinc/95/43/02/403954302.db2.gz BEAUHWYIAZENIR-UHFFFAOYSA-N 1 1 305.363 2.081 20 5 DEBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000411952669 404029025 /nfs/dbraw/zinc/02/90/25/404029025.db2.gz YMBUVUBAIPRICX-NSHDSACASA-N 1 1 311.769 2.158 20 5 DEBDMO CCC(=O)c1ccc(NCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000296057253 404074191 /nfs/dbraw/zinc/07/41/91/404074191.db2.gz QYGGVMFGRMMALJ-UHFFFAOYSA-N 1 1 321.377 2.056 20 5 DEBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000369314216 404045434 /nfs/dbraw/zinc/04/54/34/404045434.db2.gz LYGNSOAWQNRXOC-CYBMUJFWSA-N 1 1 306.362 2.365 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000369314216 404045442 /nfs/dbraw/zinc/04/54/42/404045442.db2.gz LYGNSOAWQNRXOC-CYBMUJFWSA-N 1 1 306.362 2.365 20 5 DEBDMO O=C(NCC[NH+]1CCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000337585608 404113982 /nfs/dbraw/zinc/11/39/82/404113982.db2.gz KTUAGFLHXUGZND-UHFFFAOYSA-N 1 1 317.267 2.049 20 5 DEBDMO C[N@@H+](C[C@H](O)COc1cccc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000296153745 404118464 /nfs/dbraw/zinc/11/84/64/404118464.db2.gz MUAKHZNCKOHZIF-JTQLQIEISA-N 1 1 300.742 2.082 20 5 DEBDMO CC(C)(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000352153211 404181079 /nfs/dbraw/zinc/18/10/79/404181079.db2.gz FCAUDBYPFKJTJM-CYBMUJFWSA-N 1 1 317.389 2.225 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000341801128 404181497 /nfs/dbraw/zinc/18/14/97/404181497.db2.gz SRXXWRIHYZUDEZ-RYUDHWBXSA-N 1 1 323.368 2.390 20 5 DEBDMO CC(C)OCC[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000349859318 404232483 /nfs/dbraw/zinc/23/24/83/404232483.db2.gz ZRGYWILBRQBMHY-MRXNPFEDSA-N 1 1 308.378 2.129 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C1CCN(CCO)CC1 ZINC000352426524 404362298 /nfs/dbraw/zinc/36/22/98/404362298.db2.gz VJWXVWPKDLUEEV-CQSZACIVSA-N 1 1 321.421 2.353 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C1CC[NH+](CCO)CC1 ZINC000352426524 404362301 /nfs/dbraw/zinc/36/23/01/404362301.db2.gz VJWXVWPKDLUEEV-CQSZACIVSA-N 1 1 321.421 2.353 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000290756635 404298481 /nfs/dbraw/zinc/29/84/81/404298481.db2.gz PNOFPLTYASFVJE-CYBMUJFWSA-N 1 1 322.409 2.165 20 5 DEBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000350090072 404317005 /nfs/dbraw/zinc/31/70/05/404317005.db2.gz YWBOAJCCTYGQQN-RRFJBIMHSA-N 1 1 322.409 2.317 20 5 DEBDMO COC[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000296781814 404320186 /nfs/dbraw/zinc/32/01/86/404320186.db2.gz QFJMGXZFZUCGLV-MLGOLLRUSA-N 1 1 321.377 2.280 20 5 DEBDMO [NH3+][C@@H]1CCC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000342100373 404367707 /nfs/dbraw/zinc/36/77/07/404367707.db2.gz JZSBAGHDLFVLDV-MGPQQGTHSA-N 1 1 305.378 2.033 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000344788405 404368097 /nfs/dbraw/zinc/36/80/97/404368097.db2.gz NKEYBZDQYAOFCO-QWHCGFSZSA-N 1 1 319.405 2.423 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000344788405 404368104 /nfs/dbraw/zinc/36/81/04/404368104.db2.gz NKEYBZDQYAOFCO-QWHCGFSZSA-N 1 1 319.405 2.423 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOCC12CC2 ZINC000338596351 404429464 /nfs/dbraw/zinc/42/94/64/404429464.db2.gz HIGIIRIQMXADLF-UHFFFAOYSA-N 1 1 319.361 2.097 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOCC12CC2 ZINC000338596351 404429473 /nfs/dbraw/zinc/42/94/73/404429473.db2.gz HIGIIRIQMXADLF-UHFFFAOYSA-N 1 1 319.361 2.097 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291827986 404540823 /nfs/dbraw/zinc/54/08/23/404540823.db2.gz OBAHKLGTLISPMK-CQSZACIVSA-N 1 1 302.334 2.117 20 5 DEBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 ZINC000373805582 404595378 /nfs/dbraw/zinc/59/53/78/404595378.db2.gz OSGCPMDVRQSLKZ-PBHICJAKSA-N 1 1 320.389 2.407 20 5 DEBDMO CN(C)C(=O)[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000414503458 404659450 /nfs/dbraw/zinc/65/94/50/404659450.db2.gz WHUTWIOTDXKAEP-VSKVDJIOSA-N 1 1 303.362 2.018 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000356833218 404703147 /nfs/dbraw/zinc/70/31/47/404703147.db2.gz ANUJMJVEIARXFZ-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000356833218 404703149 /nfs/dbraw/zinc/70/31/49/404703149.db2.gz ANUJMJVEIARXFZ-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1(CCO)CCOCC1 ZINC000352996411 404714742 /nfs/dbraw/zinc/71/47/42/404714742.db2.gz GWKZSSMOGSUTQX-UHFFFAOYSA-N 1 1 308.378 2.001 20 5 DEBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000434423891 404895809 /nfs/dbraw/zinc/89/58/09/404895809.db2.gz GVEWKZBPPXMJLY-ZDUSSCGKSA-N 1 1 321.352 2.481 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000360881635 404843908 /nfs/dbraw/zinc/84/39/08/404843908.db2.gz BWOZTJGBOPGHBS-CQSZACIVSA-N 1 1 304.394 2.466 20 5 DEBDMO CC[C@H](CCO)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353535460 404858908 /nfs/dbraw/zinc/85/89/08/404858908.db2.gz VYLPCOXSMGTXJM-UKRRQHHQSA-N 1 1 318.377 2.168 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000360986015 404869245 /nfs/dbraw/zinc/86/92/45/404869245.db2.gz QUSYBABMJXKZNP-CQSZACIVSA-N 1 1 321.425 2.288 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000353748945 404954560 /nfs/dbraw/zinc/95/45/60/404954560.db2.gz UEKXYBVTVALSAS-INIZCTEOSA-N 1 1 303.362 2.005 20 5 DEBDMO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547219 405012470 /nfs/dbraw/zinc/01/24/70/405012470.db2.gz KOWMGJZHAWCVHH-YPMHNXCESA-N 1 1 316.365 2.059 20 5 DEBDMO C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547219 405012475 /nfs/dbraw/zinc/01/24/75/405012475.db2.gz KOWMGJZHAWCVHH-YPMHNXCESA-N 1 1 316.365 2.059 20 5 DEBDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000439495966 405282211 /nfs/dbraw/zinc/28/22/11/405282211.db2.gz RHIRGQSGTMBTGH-IUODEOHRSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000439495966 405282214 /nfs/dbraw/zinc/28/22/14/405282214.db2.gz RHIRGQSGTMBTGH-IUODEOHRSA-N 1 1 321.377 2.423 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425056369 405237961 /nfs/dbraw/zinc/23/79/61/405237961.db2.gz KAJBSEDEIBUFSO-GXFFZTMASA-N 1 1 323.780 2.414 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425057640 405239408 /nfs/dbraw/zinc/23/94/08/405239408.db2.gz BFDRJQJUVDFKLF-GXTWGEPZSA-N 1 1 303.362 2.069 20 5 DEBDMO COCCCC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000419383620 405246510 /nfs/dbraw/zinc/24/65/10/405246510.db2.gz LFTDAOARSAQXPY-UHFFFAOYSA-N 1 1 309.366 2.200 20 5 DEBDMO COCCCC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000419395625 405247614 /nfs/dbraw/zinc/24/76/14/405247614.db2.gz YFMMAPZMEGQDAZ-HNNXBMFYSA-N 1 1 321.377 2.059 20 5 DEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420601537 405360460 /nfs/dbraw/zinc/36/04/60/405360460.db2.gz NUTYQGWFQGBCKG-LBPRGKRZSA-N 1 1 320.393 2.004 20 5 DEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000426459445 405360701 /nfs/dbraw/zinc/36/07/01/405360701.db2.gz KKFWPDXNZRTRDF-IUODEOHRSA-N 1 1 324.402 2.243 20 5 DEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000426459445 405360703 /nfs/dbraw/zinc/36/07/03/405360703.db2.gz KKFWPDXNZRTRDF-IUODEOHRSA-N 1 1 324.402 2.243 20 5 DEBDMO O=C(C[N@H+]1CC[C@H]2CCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000426457183 405361164 /nfs/dbraw/zinc/36/11/64/405361164.db2.gz XNVUEAGHBBUCGO-IUODEOHRSA-N 1 1 315.373 2.358 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000421497556 405520428 /nfs/dbraw/zinc/52/04/28/405520428.db2.gz QSGZIFBRPTVNCH-UHFFFAOYSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)CC1(C)C ZINC000421497556 405520432 /nfs/dbraw/zinc/52/04/32/405520432.db2.gz QSGZIFBRPTVNCH-UHFFFAOYSA-N 1 1 305.378 2.378 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493089183 405525870 /nfs/dbraw/zinc/52/58/70/405525870.db2.gz VYKBPNKLUKOKCN-HBWSCVEGSA-N 1 1 303.362 2.161 20 5 DEBDMO Cc1c(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000556963195 405565273 /nfs/dbraw/zinc/56/52/73/405565273.db2.gz QNBBGOQCJLUUOK-QWHCGFSZSA-N 1 1 303.362 2.212 20 5 DEBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C(CF)CF ZINC000449378884 405532033 /nfs/dbraw/zinc/53/20/33/405532033.db2.gz GHYABTOOVMYQEQ-VIFPVBQESA-N 1 1 301.293 2.209 20 5 DEBDMO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000433149664 405880549 /nfs/dbraw/zinc/88/05/49/405880549.db2.gz DSMLMAICHHDRHS-CYBMUJFWSA-N 1 1 316.785 2.466 20 5 DEBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000433149664 405880555 /nfs/dbraw/zinc/88/05/55/405880555.db2.gz DSMLMAICHHDRHS-CYBMUJFWSA-N 1 1 316.785 2.466 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCc3cscn3)C2)nc1 ZINC000450565922 405957901 /nfs/dbraw/zinc/95/79/01/405957901.db2.gz KEUOIDHPDKCMSU-NSHDSACASA-N 1 1 319.390 2.175 20 5 DEBDMO C[N@H+]1CC[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000532637650 406090144 /nfs/dbraw/zinc/09/01/44/406090144.db2.gz CZJFYIOMOBKPGQ-ZDUSSCGKSA-N 1 1 303.362 2.038 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)nc2c1 ZINC000567584848 406100631 /nfs/dbraw/zinc/10/06/31/406100631.db2.gz ATIIBTOCVWNKPE-YGRLFVJLSA-N 1 1 302.334 2.082 20 5 DEBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000487136164 406208849 /nfs/dbraw/zinc/20/88/49/406208849.db2.gz KJCGHLHPZOCPRW-SKDRFNHKSA-N 1 1 311.769 2.062 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000521717689 406363504 /nfs/dbraw/zinc/36/35/04/406363504.db2.gz LHGORKTVSAZPTF-ZIAGYGMSSA-N 1 1 319.405 2.499 20 5 DEBDMO CC(C)[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000489315143 406392489 /nfs/dbraw/zinc/39/24/89/406392489.db2.gz CQWIXYUYNHKPGT-AWEZNQCLSA-N 1 1 309.341 2.146 20 5 DEBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCO[C@@H]1C ZINC000489473853 406410416 /nfs/dbraw/zinc/41/04/16/406410416.db2.gz JVQGCJUEZUNOHH-IUODEOHRSA-N 1 1 324.377 2.229 20 5 DEBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCO[C@@H]1C ZINC000489473853 406410418 /nfs/dbraw/zinc/41/04/18/406410418.db2.gz JVQGCJUEZUNOHH-IUODEOHRSA-N 1 1 324.377 2.229 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491752585 406702693 /nfs/dbraw/zinc/70/26/93/406702693.db2.gz UGTIEMSLUZFGLW-TWGQIWQCSA-N 1 1 303.362 2.162 20 5 DEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](CO)C(C)(C)C ZINC000134429547 196390279 /nfs/dbraw/zinc/39/02/79/196390279.db2.gz BOXDACUGHCTXHJ-CQSZACIVSA-N 1 1 324.377 2.300 20 5 DEBDMO CC[C@@H](O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000134487638 196395541 /nfs/dbraw/zinc/39/55/41/196395541.db2.gz DWOCHHNCHQDQSL-OAHLLOKOSA-N 1 1 318.377 2.064 20 5 DEBDMO CC(C)Oc1nc(N[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000521899219 421804768 /nfs/dbraw/zinc/80/47/68/421804768.db2.gz OHSOTURWFIWVTR-NSHDSACASA-N 1 1 306.366 2.426 20 5 DEBDMO CC(C)Oc1nc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000566477305 424910092 /nfs/dbraw/zinc/91/00/92/424910092.db2.gz AXHCNCBKGUPOOX-STQMWFEESA-N 1 1 320.393 2.816 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087434911 267396206 /nfs/dbraw/zinc/39/62/06/267396206.db2.gz UGGCYXVCHXXESE-UHFFFAOYSA-N 1 1 307.394 2.376 20 5 DEBDMO CCc1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363349770 269052765 /nfs/dbraw/zinc/05/27/65/269052765.db2.gz RYHNVHPGQWPZES-HNNXBMFYSA-N 1 1 317.389 2.468 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000367995915 269080198 /nfs/dbraw/zinc/08/01/98/269080198.db2.gz OGLADZUVEHRCNE-MRXNPFEDSA-N 1 1 308.378 2.444 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000430245955 269128030 /nfs/dbraw/zinc/12/80/30/269128030.db2.gz VCQVCSXKZZVVIR-HNNXBMFYSA-N 1 1 307.394 2.375 20 5 DEBDMO C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1CO ZINC000125229139 274291345 /nfs/dbraw/zinc/29/13/45/274291345.db2.gz UUJJSTIHZGIDOQ-IAQYHMDHSA-N 1 1 322.361 2.054 20 5 DEBDMO C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1CO ZINC000125229139 274291348 /nfs/dbraw/zinc/29/13/48/274291348.db2.gz UUJJSTIHZGIDOQ-IAQYHMDHSA-N 1 1 322.361 2.054 20 5 DEBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc2sccn21 ZINC000252674603 275032761 /nfs/dbraw/zinc/03/27/61/275032761.db2.gz SORUFPYIOWDHLG-ZJUUUORDSA-N 1 1 307.379 2.343 20 5 DEBDMO CCN1CC[NH+]([C@H]2CCN(c3cc(C)ccc3[N+](=O)[O-])C2)CC1 ZINC000268040800 276202021 /nfs/dbraw/zinc/20/20/21/276202021.db2.gz OGJITZJFYZYQLL-HNNXBMFYSA-N 1 1 318.421 2.119 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000194822841 281258220 /nfs/dbraw/zinc/25/82/20/281258220.db2.gz JQLRVQLSLRLGQD-RYUDHWBXSA-N 1 1 303.362 2.258 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134204793 282035108 /nfs/dbraw/zinc/03/51/08/282035108.db2.gz LNPZJJXVPWJGDK-LLVKDONJSA-N 1 1 309.341 2.196 20 5 DEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000295266147 289188863 /nfs/dbraw/zinc/18/88/63/289188863.db2.gz RRNUIOQOPSXTLF-CYBMUJFWSA-N 1 1 315.732 2.022 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC000178162116 301856311 /nfs/dbraw/zinc/85/63/11/301856311.db2.gz COPQVYNQAPFXPF-CQSZACIVSA-N 1 1 308.382 2.067 20 5 DEBDMO C[C@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000574250353 326136650 /nfs/dbraw/zinc/13/66/50/326136650.db2.gz JJAMHNXVJNLTAX-OLZOCXBDSA-N 1 1 305.378 2.156 20 5 DEBDMO COc1nccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000574822601 326191191 /nfs/dbraw/zinc/19/11/91/326191191.db2.gz LJMJLDMLAAURBA-ZDUSSCGKSA-N 1 1 300.318 2.171 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000574936634 326203075 /nfs/dbraw/zinc/20/30/75/326203075.db2.gz AXLIVNUPMBALJE-LBPRGKRZSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000574936634 326203076 /nfs/dbraw/zinc/20/30/76/326203076.db2.gz AXLIVNUPMBALJE-LBPRGKRZSA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1nnc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000576544503 326301325 /nfs/dbraw/zinc/30/13/25/326301325.db2.gz DHWGFGZXAKUKFW-QWRGUYRKSA-N 1 1 322.394 2.225 20 5 DEBDMO CC(C)[NH2+]CCCN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000580062441 332921903 /nfs/dbraw/zinc/92/19/03/332921903.db2.gz AVYWOIGQCOYFSR-ZDUSSCGKSA-N 1 1 322.409 2.290 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000584311920 332292036 /nfs/dbraw/zinc/29/20/36/332292036.db2.gz ZQYBKMORWYRJPU-TZMCWYRMSA-N 1 1 305.378 2.251 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000584311920 332292038 /nfs/dbraw/zinc/29/20/38/332292038.db2.gz ZQYBKMORWYRJPU-TZMCWYRMSA-N 1 1 305.378 2.251 20 5 DEBDMO C[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294120522 533946978 /nfs/dbraw/zinc/94/69/78/533946978.db2.gz KSJMQKWBBZLGNV-NSHDSACASA-N 1 1 315.377 2.489 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000332362756 534322207 /nfs/dbraw/zinc/32/22/07/534322207.db2.gz UEPKHCHNXSGUNH-HNNXBMFYSA-N 1 1 324.356 2.377 20 5 DEBDMO CC(=O)c1cc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000367718706 518291719 /nfs/dbraw/zinc/29/17/19/518291719.db2.gz ZEOSOKVWOTUTCL-ZIAGYGMSSA-N 1 1 319.361 2.073 20 5 DEBDMO CCOCCO[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000157602193 520035362 /nfs/dbraw/zinc/03/53/62/520035362.db2.gz JXQSZBJBLRRKCB-INIZCTEOSA-N 1 1 324.377 2.101 20 5 DEBDMO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CC[N@H+]1C[C@H](C)O ZINC000247566420 523292482 /nfs/dbraw/zinc/29/24/82/523292482.db2.gz GQDUJYKHDCNJIO-BBRMVZONSA-N 1 1 321.421 2.180 20 5 DEBDMO C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000338362237 524335753 /nfs/dbraw/zinc/33/57/53/524335753.db2.gz YFPMWLRQLNRMDA-SWLSCSKDSA-N 1 1 310.398 2.053 20 5 DEBDMO C[C@H]1[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1(C)C ZINC000337250125 525002699 /nfs/dbraw/zinc/00/26/99/525002699.db2.gz MIBZTJJLGILWDI-GFCCVEGCSA-N 1 1 321.377 2.423 20 5 DEBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+](CCO)C1CCOCC1 ZINC000444772916 534885916 /nfs/dbraw/zinc/88/59/16/534885916.db2.gz XTXHWPIGEXNNDL-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+](CCO)C1CCOCC1 ZINC000444772916 534885918 /nfs/dbraw/zinc/88/59/18/534885918.db2.gz XTXHWPIGEXNNDL-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@@H](C)C1 ZINC000245402429 526161313 /nfs/dbraw/zinc/16/13/13/526161313.db2.gz IBMGBWXGZGWAPW-NWDGAFQWSA-N 1 1 307.350 2.033 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCO[C@@H](C)C1 ZINC000245402429 526161321 /nfs/dbraw/zinc/16/13/21/526161321.db2.gz IBMGBWXGZGWAPW-NWDGAFQWSA-N 1 1 307.350 2.033 20 5 DEBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000363583456 527293932 /nfs/dbraw/zinc/29/39/32/527293932.db2.gz RWCLTULXERFWFU-CQSZACIVSA-N 1 1 317.389 2.270 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000130570129 527407269 /nfs/dbraw/zinc/40/72/69/527407269.db2.gz YBEOLUIJHNSYBL-UHFFFAOYSA-N 1 1 320.324 2.401 20 5 DEBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(F)nc3)CC2)n1 ZINC000365982399 527407244 /nfs/dbraw/zinc/40/72/44/527407244.db2.gz CQYXKBDNBNBJNC-UHFFFAOYSA-N 1 1 305.313 2.163 20 5 DEBDMO CC1(C)CCC[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000444621424 528933690 /nfs/dbraw/zinc/93/36/90/528933690.db2.gz ZUYKWZWYOFNQCI-UHFFFAOYSA-N 1 1 319.405 2.376 20 5 DEBDMO CCOC(=O)CC[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000361914365 535643596 /nfs/dbraw/zinc/64/35/96/535643596.db2.gz PITSKGSUPVPDKD-UHFFFAOYSA-N 1 1 314.313 2.128 20 5 DEBDMO CCOC(=O)CC[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000361914365 535643600 /nfs/dbraw/zinc/64/36/00/535643600.db2.gz PITSKGSUPVPDKD-UHFFFAOYSA-N 1 1 314.313 2.128 20 5 DEBDMO CC[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854280 535914087 /nfs/dbraw/zinc/91/40/87/535914087.db2.gz XIIHNSQYJFCVOS-ULQDDVLXSA-N 1 1 319.405 2.499 20 5 DEBDMO CC[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854280 535914094 /nfs/dbraw/zinc/91/40/94/535914094.db2.gz XIIHNSQYJFCVOS-ULQDDVLXSA-N 1 1 319.405 2.499 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000246718314 536472378 /nfs/dbraw/zinc/47/23/78/536472378.db2.gz OAVHOHIDFASSCC-WDEREUQCSA-N 1 1 309.391 2.213 20 5 DEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000359869200 536503457 /nfs/dbraw/zinc/50/34/57/536503457.db2.gz CZBYAAGQHWHGSS-WCQYABFASA-N 1 1 321.377 2.124 20 5 DEBDMO Cc1[nH+]ccn1CCCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000725891938 625296905 /nfs/dbraw/zinc/29/69/05/625296905.db2.gz ONIRUVGKIPFUGH-UHFFFAOYSA-N 1 1 302.334 2.196 20 5 DEBDMO C[C@@H]1C[C@@H](Nc2ccc3nonc3c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000892876887 625683202 /nfs/dbraw/zinc/68/32/02/625683202.db2.gz YPHOEFOYAFJLTG-RKDXNWHRSA-N 1 1 303.322 2.168 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000892893729 625692793 /nfs/dbraw/zinc/69/27/93/625692793.db2.gz PHWLQOKGWSEUGX-LBPRGKRZSA-N 1 1 308.382 2.388 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)C[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000891948756 624675799 /nfs/dbraw/zinc/67/57/99/624675799.db2.gz LPBZOZIUOIMVON-LLVKDONJSA-N 1 1 310.350 2.167 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](CCO)CC(C)(C)C)c1[N+](=O)[O-] ZINC000891948874 624675983 /nfs/dbraw/zinc/67/59/83/624675983.db2.gz IHGKCPQVRAMPNS-UHFFFAOYSA-N 1 1 312.366 2.149 20 5 DEBDMO CC[C@@H](C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])N1CCCC1 ZINC000892554206 625146237 /nfs/dbraw/zinc/14/62/37/625146237.db2.gz BHUUQQPXLRCJAG-ZDUSSCGKSA-N 1 1 323.393 2.273 20 5 DEBDMO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000893589681 634889153 /nfs/dbraw/zinc/88/91/53/634889153.db2.gz LNSUXXDPTQWCJS-CQSZACIVSA-N 1 1 315.377 2.262 20 5 DEBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000921807721 635350924 /nfs/dbraw/zinc/35/09/24/635350924.db2.gz SJWPECPPZDWMME-DMDPSCGWSA-N 1 1 306.366 2.048 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c1[N+](=O)[O-] ZINC000894255466 636578802 /nfs/dbraw/zinc/57/88/02/636578802.db2.gz ZEOILRNAXDIWDA-ZYHUDNBSSA-N 1 1 310.350 2.308 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCCCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000894292100 636723095 /nfs/dbraw/zinc/72/30/95/636723095.db2.gz BKSIQQXIDTYKJG-ZDUSSCGKSA-N 1 1 324.377 2.436 20 5 DEBDMO CN(CC1CC[NH+](C)CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000103462111 637884424 /nfs/dbraw/zinc/88/44/24/637884424.db2.gz NEJCQBNTJNDDTL-UHFFFAOYSA-N 1 1 317.393 2.176 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1NCc1cc(N(C)C)cc[nH+]1 ZINC000895471546 638048097 /nfs/dbraw/zinc/04/80/97/638048097.db2.gz RZBKTGDBILHRMB-UHFFFAOYSA-N 1 1 303.322 2.072 20 5 DEBDMO Cc1cc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)ncc1[N+](=O)[O-] ZINC000895565619 638092023 /nfs/dbraw/zinc/09/20/23/638092023.db2.gz AYCVXQDKZWQSPY-DGCLKSJQSA-N 1 1 308.407 2.290 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000743017381 638111782 /nfs/dbraw/zinc/11/17/82/638111782.db2.gz VIROLHLYCBPIHZ-LLVKDONJSA-N 1 1 308.407 2.366 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000895843097 638221508 /nfs/dbraw/zinc/22/15/08/638221508.db2.gz JQOPJNXBSHYONJ-AWEZNQCLSA-N 1 1 305.378 2.126 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CC(C)(C)CC[C@H]2CO)c1[N+](=O)[O-] ZINC000895922653 638268421 /nfs/dbraw/zinc/26/84/21/638268421.db2.gz KXGYYRHHIMQGKU-LBPRGKRZSA-N 1 1 324.377 2.292 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC(C)(C)CC[C@H]2CO)c1[N+](=O)[O-] ZINC000895922653 638268424 /nfs/dbraw/zinc/26/84/24/638268424.db2.gz KXGYYRHHIMQGKU-LBPRGKRZSA-N 1 1 324.377 2.292 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](C(C)(C)O)C2)c1[N+](=O)[O-] ZINC000895932702 638273414 /nfs/dbraw/zinc/27/34/14/638273414.db2.gz XWSSRYKCVAJNDF-LBPRGKRZSA-N 1 1 324.377 2.292 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896384206 638496216 /nfs/dbraw/zinc/49/62/16/638496216.db2.gz JMOQNWKODITSDP-LYKUJDHUSA-N 1 1 304.346 2.303 20 5 DEBDMO C[C@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000749670158 638669666 /nfs/dbraw/zinc/66/96/66/638669666.db2.gz JKEMQPPZPPMLNX-CKEIUWERSA-N 1 1 321.421 2.481 20 5 DEBDMO C[C@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000749670158 638669672 /nfs/dbraw/zinc/66/96/72/638669672.db2.gz JKEMQPPZPPMLNX-CKEIUWERSA-N 1 1 321.421 2.481 20 5 DEBDMO C[N@H+](Cc1cccc(O)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750068817 638707977 /nfs/dbraw/zinc/70/79/77/638707977.db2.gz AAGMHXRIEMDGKW-INIZCTEOSA-N 1 1 302.330 2.466 20 5 DEBDMO CCOC(=O)[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000896963395 639101643 /nfs/dbraw/zinc/10/16/43/639101643.db2.gz YOZSLXYBXBPUFI-HZRUHFOJSA-N 1 1 304.346 2.493 20 5 DEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000755255366 639534646 /nfs/dbraw/zinc/53/46/46/639534646.db2.gz BGSNNRFHDRFLQC-IEZBTEQYSA-N 1 1 303.362 2.209 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761088818 640267143 /nfs/dbraw/zinc/26/71/43/640267143.db2.gz FEQXNAPEBWRWLU-MFKMUULPSA-N 1 1 305.334 2.026 20 5 DEBDMO Cc1nn(C[N@H+](C)CCn2cccn2)c2ccc([N+](=O)[O-])cc12 ZINC000764988914 640723050 /nfs/dbraw/zinc/72/30/50/640723050.db2.gz FQVPTUBCFYHDMR-UHFFFAOYSA-N 1 1 314.349 2.039 20 5 DEBDMO Cc1nn(C[N@@H+](C)CCn2cccn2)c2ccc([N+](=O)[O-])cc12 ZINC000764988914 640723052 /nfs/dbraw/zinc/72/30/52/640723052.db2.gz FQVPTUBCFYHDMR-UHFFFAOYSA-N 1 1 314.349 2.039 20 5 DEBDMO Cc1[nH+]ccn1CCCOC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000767477205 640983699 /nfs/dbraw/zinc/98/36/99/640983699.db2.gz JFJRHNAHPCHDKL-UHFFFAOYSA-N 1 1 319.317 2.112 20 5 DEBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000767623586 641002556 /nfs/dbraw/zinc/00/25/56/641002556.db2.gz NLJLVBQNOOJLIB-UHFFFAOYSA-N 1 1 318.333 2.237 20 5 DEBDMO C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000769143583 641183824 /nfs/dbraw/zinc/18/38/24/641183824.db2.gz NNHNABXQVGQEMW-GFCCVEGCSA-N 1 1 305.378 2.035 20 5 DEBDMO C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000769143583 641183833 /nfs/dbraw/zinc/18/38/33/641183833.db2.gz NNHNABXQVGQEMW-GFCCVEGCSA-N 1 1 305.378 2.035 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000769145958 641185569 /nfs/dbraw/zinc/18/55/69/641185569.db2.gz QCAKVOUPRVLKCX-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000769145958 641185571 /nfs/dbraw/zinc/18/55/71/641185571.db2.gz QCAKVOUPRVLKCX-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[C@H](N(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000776591569 642190732 /nfs/dbraw/zinc/19/07/32/642190732.db2.gz KHFSUZKYRXCJHR-WQVCFCJDSA-N 1 1 307.394 2.043 20 5 DEBDMO C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776591569 642190736 /nfs/dbraw/zinc/19/07/36/642190736.db2.gz KHFSUZKYRXCJHR-WQVCFCJDSA-N 1 1 307.394 2.043 20 5 DEBDMO C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776591569 642190738 /nfs/dbraw/zinc/19/07/38/642190738.db2.gz KHFSUZKYRXCJHR-WQVCFCJDSA-N 1 1 307.394 2.043 20 5 DEBDMO Cc1nn(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000779868257 642552597 /nfs/dbraw/zinc/55/25/97/642552597.db2.gz KQUNFLDARQRTSL-KBPBESRZSA-N 1 1 308.382 2.196 20 5 DEBDMO Cc1nn(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000779868257 642552599 /nfs/dbraw/zinc/55/25/99/642552599.db2.gz KQUNFLDARQRTSL-KBPBESRZSA-N 1 1 308.382 2.196 20 5 DEBDMO Cc1nn(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000779868258 642552804 /nfs/dbraw/zinc/55/28/04/642552804.db2.gz KQUNFLDARQRTSL-KGLIPLIRSA-N 1 1 308.382 2.196 20 5 DEBDMO Cc1nn(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000779868258 642552808 /nfs/dbraw/zinc/55/28/08/642552808.db2.gz KQUNFLDARQRTSL-KGLIPLIRSA-N 1 1 308.382 2.196 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000782073078 642821972 /nfs/dbraw/zinc/82/19/72/642821972.db2.gz DCUCMQIKUMXRAR-NSHDSACASA-N 1 1 322.365 2.067 20 5 DEBDMO O=C1[C@H]2C[C@H]2CN1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000902290759 642981103 /nfs/dbraw/zinc/98/11/03/642981103.db2.gz RSIBEKGAGVSAAM-YCPHGPKFSA-N 1 1 315.373 2.210 20 5 DEBDMO O=C1[C@H]2C[C@H]2CN1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000902290759 642981108 /nfs/dbraw/zinc/98/11/08/642981108.db2.gz RSIBEKGAGVSAAM-YCPHGPKFSA-N 1 1 315.373 2.210 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000783918451 643068645 /nfs/dbraw/zinc/06/86/45/643068645.db2.gz DWMUHGDBKQLHKY-LLVKDONJSA-N 1 1 316.361 2.290 20 5 DEBDMO Cc1nn(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c(C)c1[N+](=O)[O-] ZINC000902646323 643099785 /nfs/dbraw/zinc/09/97/85/643099785.db2.gz KRTUQVVXGDLCAS-LBPRGKRZSA-N 1 1 321.406 2.387 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c(C)c1[N+](=O)[O-] ZINC000902646323 643099789 /nfs/dbraw/zinc/09/97/89/643099789.db2.gz KRTUQVVXGDLCAS-LBPRGKRZSA-N 1 1 321.406 2.387 20 5 DEBDMO CCC[N@H+]1CCC[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000906431323 644240950 /nfs/dbraw/zinc/24/09/50/644240950.db2.gz RYZSRFUDZRVLOU-CQSZACIVSA-N 1 1 305.378 2.333 20 5 DEBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000794626990 644448368 /nfs/dbraw/zinc/44/83/68/644448368.db2.gz ZDAWLXFTHKXWML-NSHDSACASA-N 1 1 303.318 2.335 20 5 DEBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@H]1C1CC1 ZINC000794626990 644448375 /nfs/dbraw/zinc/44/83/75/644448375.db2.gz ZDAWLXFTHKXWML-NSHDSACASA-N 1 1 303.318 2.335 20 5 DEBDMO C[C@@]1(O)CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000794674356 644457476 /nfs/dbraw/zinc/45/74/76/644457476.db2.gz ZQHOKWDSUCVDHL-OAHLLOKOSA-N 1 1 304.350 2.139 20 5 DEBDMO C[C@H](CO)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000796546682 644751972 /nfs/dbraw/zinc/75/19/72/644751972.db2.gz NCJDSKGFDSMTTA-MLGOLLRUSA-N 1 1 308.378 2.111 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000910267295 645377928 /nfs/dbraw/zinc/37/79/28/645377928.db2.gz RSGIBMBEYURFIQ-GFCCVEGCSA-N 1 1 323.368 2.219 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910296362 645409214 /nfs/dbraw/zinc/40/92/14/645409214.db2.gz VSBLPYNOXYVDLR-CYBMUJFWSA-N 1 1 305.378 2.080 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C1 ZINC000843771972 651027192 /nfs/dbraw/zinc/02/71/92/651027192.db2.gz OPUATKXJKFCGMX-NSHDSACASA-N 1 1 309.341 2.114 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000843777177 651028145 /nfs/dbraw/zinc/02/81/45/651028145.db2.gz CLHYJHBTUDNEFQ-JTQLQIEISA-N 1 1 307.325 2.009 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000151330064 646342834 /nfs/dbraw/zinc/34/28/34/646342834.db2.gz AKYAOJYRPBDHTP-HNNXBMFYSA-N 1 1 302.334 2.014 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000044725663 646427512 /nfs/dbraw/zinc/42/75/12/646427512.db2.gz LXLFVEYZNVRIPK-VIFPVBQESA-N 1 1 309.753 2.215 20 5 DEBDMO CNc1ccc(C(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000810837521 646430727 /nfs/dbraw/zinc/43/07/27/646430727.db2.gz IJRNOWCZCQGXQB-STQMWFEESA-N 1 1 319.361 2.420 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168649125 646594067 /nfs/dbraw/zinc/59/40/67/646594067.db2.gz FSZRVYAFNUIWRQ-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO CO[C@H](C)CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171205 646742249 /nfs/dbraw/zinc/74/22/49/646742249.db2.gz GHLYKQJQXWLCGK-DOMZBBRYSA-N 1 1 322.361 2.137 20 5 DEBDMO CO[C@H](C)CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171205 646742254 /nfs/dbraw/zinc/74/22/54/646742254.db2.gz GHLYKQJQXWLCGK-DOMZBBRYSA-N 1 1 322.361 2.137 20 5 DEBDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[N+](=O)[O-] ZINC000929615103 646905976 /nfs/dbraw/zinc/90/59/76/646905976.db2.gz VKFGENKIXDIYAI-UHFFFAOYSA-N 1 1 306.341 2.357 20 5 DEBDMO C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588225 647033817 /nfs/dbraw/zinc/03/38/17/647033817.db2.gz HIUWRUFQUUVVSJ-CABZTGNLSA-N 1 1 301.350 2.108 20 5 DEBDMO C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628134 647036823 /nfs/dbraw/zinc/03/68/23/647036823.db2.gz RUTTVEOSHCIMEV-MWLCHTKSSA-N 1 1 301.350 2.108 20 5 DEBDMO CC(C)[N@H+](CC1CC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000915208431 647496443 /nfs/dbraw/zinc/49/64/43/647496443.db2.gz LKRMFHUWLOUXBN-UHFFFAOYSA-N 1 1 317.345 2.269 20 5 DEBDMO CC(C)[N@@H+](CC1CC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000915208431 647496444 /nfs/dbraw/zinc/49/64/44/647496444.db2.gz LKRMFHUWLOUXBN-UHFFFAOYSA-N 1 1 317.345 2.269 20 5 DEBDMO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819133356 647589656 /nfs/dbraw/zinc/58/96/56/647589656.db2.gz OOQRZMUFKVDIBZ-IMJJTQAJSA-N 1 1 307.394 2.091 20 5 DEBDMO CC(C)(CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000819260176 647619978 /nfs/dbraw/zinc/61/99/78/647619978.db2.gz PQRWTBPMDKGDPH-INIZCTEOSA-N 1 1 321.421 2.340 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2noc3c2CCCC3)cc1 ZINC000819317659 647633283 /nfs/dbraw/zinc/63/32/83/647633283.db2.gz YRSNQQAYSRSZBV-HNNXBMFYSA-N 1 1 317.345 2.285 20 5 DEBDMO CCCC[N@H+](C)C[C@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819317364 647633330 /nfs/dbraw/zinc/63/33/30/647633330.db2.gz OTQICEQARAHTCO-BBRMVZONSA-N 1 1 309.410 2.338 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819317364 647633332 /nfs/dbraw/zinc/63/33/32/647633332.db2.gz OTQICEQARAHTCO-BBRMVZONSA-N 1 1 309.410 2.338 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819325079 647635621 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Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccc(Cl)nc1 ZINC000878167506 690332936 /nfs/dbraw/zinc/33/29/36/690332936.db2.gz VFSGVBZSQAICOY-UHFFFAOYSA-N 1 1 309.757 2.280 20 5 DEBDMO C[N@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000878840567 690511626 /nfs/dbraw/zinc/51/16/26/690511626.db2.gz OGPQVXJPRUVOBR-JKSUJKDBSA-N 1 1 321.421 2.290 20 5 DEBDMO CN1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000878840567 690511628 /nfs/dbraw/zinc/51/16/28/690511628.db2.gz OGPQVXJPRUVOBR-JKSUJKDBSA-N 1 1 321.421 2.290 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1 ZINC000879417526 690637454 /nfs/dbraw/zinc/63/74/54/690637454.db2.gz AXRBYJZPUMKFLZ-LTIDMASMSA-N 1 1 320.389 2.254 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879569799 690674984 /nfs/dbraw/zinc/67/49/84/690674984.db2.gz BQMACLZMKRSQET-WMLDXEAASA-N 1 1 319.405 2.390 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000879579048 690679107 /nfs/dbraw/zinc/67/91/07/690679107.db2.gz IXEFEIZTOZPCAN-BMIGLBTASA-N 1 1 311.332 2.399 20 5 DEBDMO CC1(C)C[C@H](O)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000879620518 690690584 /nfs/dbraw/zinc/69/05/84/690690584.db2.gz GZQABEYSGPIJCZ-LBPRGKRZSA-N 1 1 321.377 2.016 20 5 DEBDMO CC1(C)C[C@H](O)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000879620399 690690590 /nfs/dbraw/zinc/69/05/90/690690590.db2.gz GGMYTNHTEAGSBN-AWEZNQCLSA-N 1 1 321.377 2.016 20 5 DEBDMO COc1cc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c([N+](=O)[O-])cc1F ZINC000880136812 690815916 /nfs/dbraw/zinc/81/59/16/690815916.db2.gz SLHDTQNDXXVMKJ-KGLIPLIRSA-N 1 1 323.368 2.411 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880145316 690821922 /nfs/dbraw/zinc/82/19/22/690821922.db2.gz NIAIGVNZJPJUTG-VXGBXAGGSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000931609425 694438765 /nfs/dbraw/zinc/43/87/65/694438765.db2.gz IHXRKEORYJJLEG-SNVBAGLBSA-N 1 1 310.329 2.197 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000882961348 691398200 /nfs/dbraw/zinc/39/82/00/691398200.db2.gz LNTIVYQZMHGNJH-ZDUSSCGKSA-N 1 1 320.393 2.239 20 5 DEBDMO COc1ccc(CN2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)cc1[N+](=O)[O-] ZINC000931726952 694465217 /nfs/dbraw/zinc/46/52/17/694465217.db2.gz SGOAGEADIAEBFB-KGLIPLIRSA-N 1 1 305.378 2.272 20 5 DEBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001042705644 691642917 /nfs/dbraw/zinc/64/29/17/691642917.db2.gz VYOHTIRYQDXCPO-HUUCEWRRSA-N 1 1 323.437 2.011 20 5 DEBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000931835761 694488916 /nfs/dbraw/zinc/48/89/16/694488916.db2.gz JAINOUIECUAANB-HZPDHXFCSA-N 1 1 317.389 2.299 20 5 DEBDMO Cc1nc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)no1 ZINC000931937045 694509801 /nfs/dbraw/zinc/50/98/01/694509801.db2.gz IVPLDOSRHVGSKM-NSHDSACASA-N 1 1 306.297 2.415 20 5 DEBDMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)no1 ZINC000931937045 694509805 /nfs/dbraw/zinc/50/98/05/694509805.db2.gz IVPLDOSRHVGSKM-NSHDSACASA-N 1 1 306.297 2.415 20 5 DEBDMO O=C(C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000886828047 692202575 /nfs/dbraw/zinc/20/25/75/692202575.db2.gz WIMHYHBMCNOQKE-IUODEOHRSA-N 1 1 319.361 2.034 20 5 DEBDMO O=C(C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000886828047 692202577 /nfs/dbraw/zinc/20/25/77/692202577.db2.gz WIMHYHBMCNOQKE-IUODEOHRSA-N 1 1 319.361 2.034 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886833192 692204769 /nfs/dbraw/zinc/20/47/69/692204769.db2.gz UWJCMMLLQIDGSP-ZFWWWQNUSA-N 1 1 306.362 2.475 20 5 DEBDMO Cc1nc([C@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000931949785 694514241 /nfs/dbraw/zinc/51/42/41/694514241.db2.gz PMSDCJPZCDJCLZ-LBPRGKRZSA-N 1 1 318.333 2.155 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCCF ZINC000887139735 692290792 /nfs/dbraw/zinc/29/07/92/692290792.db2.gz BFNIEQNGCSFODR-SNVBAGLBSA-N 1 1 313.329 2.222 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCCF ZINC000887139735 692290794 /nfs/dbraw/zinc/29/07/94/692290794.db2.gz BFNIEQNGCSFODR-SNVBAGLBSA-N 1 1 313.329 2.222 20 5 DEBDMO CCN(C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC001346289546 1150964784 /nfs/dbraw/zinc/96/47/84/1150964784.db2.gz YMCHUXGGIDQOAL-NSHDSACASA-N 1 1 322.365 2.161 20 5 DEBDMO COC(=O)Cc1ccc(NC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001348380284 1151150899 /nfs/dbraw/zinc/15/08/99/1151150899.db2.gz YHRRHZSFNFDMIG-ZDUSSCGKSA-N 1 1 321.377 2.207 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001355068632 1151977899 /nfs/dbraw/zinc/97/78/99/1151977899.db2.gz KQXWYKBWEXFWED-GFCCVEGCSA-N 1 1 323.418 2.287 20 5 DEBDMO Cc1c(NCC2([NH+]3CCCC3)COC2)cc(F)cc1[N+](=O)[O-] ZINC001168445641 782406391 /nfs/dbraw/zinc/40/63/91/782406391.db2.gz ZITNGGQCZAZPGG-UHFFFAOYSA-N 1 1 309.341 2.319 20 5 DEBDMO CCOc1cc([N+](=O)[O-])ccc1NCC1([NH+]2CCCC2)COC1 ZINC001168451312 782434560 /nfs/dbraw/zinc/43/45/60/782434560.db2.gz IISCWOGZQCKGCM-UHFFFAOYSA-N 1 1 321.377 2.270 20 5 DEBDMO CCC(=O)NCC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001333268761 1150023399 /nfs/dbraw/zinc/02/33/99/1150023399.db2.gz FZQGFORQSLFDFC-UHFFFAOYSA-N 1 1 303.362 2.253 20 5 DEBDMO O=[N+]([O-])c1ccc2ccc(N3CCc4[nH+]ccn4CC3)nc2c1 ZINC001167182183 776752171 /nfs/dbraw/zinc/75/21/71/776752171.db2.gz IKENSIJBTBZETH-UHFFFAOYSA-N 1 1 309.329 2.402 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N[C@H]1CC[N@@H+](C)C1 ZINC001167280830 776825347 /nfs/dbraw/zinc/82/53/47/776825347.db2.gz DXLBEKPCZOCIKE-QMMMGPOBSA-N 1 1 313.741 2.151 20 5 DEBDMO CC(=O)Nc1ccc(NCc2ccc(N)[nH+]c2C)cc1[N+](=O)[O-] ZINC001167785727 778559137 /nfs/dbraw/zinc/55/91/37/778559137.db2.gz BCHNFSNMADCOMZ-UHFFFAOYSA-N 1 1 315.333 2.451 20 5 DEBDMO [NH3+]CC(=O)c1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168970950 784991322 /nfs/dbraw/zinc/99/13/22/784991322.db2.gz JHZVGQJOIRJDLS-VXGBXAGGSA-N 1 1 301.346 2.401 20 5 DEBDMO N[C@H]([C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)C(F)(F)F ZINC001169003025 784998687 /nfs/dbraw/zinc/99/86/87/784998687.db2.gz MMNJHJHAAWGBSG-DDHJBXDOSA-N 1 1 309.332 2.033 20 5 DEBDMO C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008271 785001405 /nfs/dbraw/zinc/00/14/05/785001405.db2.gz SMEJWKWMCJEUSL-OCCSQVGLSA-N 1 1 306.362 2.335 20 5 DEBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@@]1(O)C(F)(F)F ZINC001169011952 785002698 /nfs/dbraw/zinc/00/26/98/785002698.db2.gz NWROLUUCBNSUPX-LPWJVIDDSA-N 1 1 324.343 2.457 20 5 DEBDMO O=C1Nc2ccccc2[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169011231 785003410 /nfs/dbraw/zinc/00/34/10/785003410.db2.gz IWIDPZPSRVFROO-GBOPCIDUSA-N 1 1 315.373 2.100 20 5 DEBDMO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986901 785004821 /nfs/dbraw/zinc/00/48/21/785004821.db2.gz FYUAAFLKYOZDHL-UXLLHSPISA-N 1 1 320.389 2.196 20 5 DEBDMO COC(=O)c1cccc2c1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169036340 785012148 /nfs/dbraw/zinc/01/21/48/785012148.db2.gz NOIFQGCRENOQOT-YPMHNXCESA-N 1 1 304.346 2.234 20 5 DEBDMO CCOCc1noc2c1C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169026737 785020763 /nfs/dbraw/zinc/02/07/63/785020763.db2.gz NPXACEIHDNPGAG-RYUDHWBXSA-N 1 1 309.366 2.015 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051945 785022525 /nfs/dbraw/zinc/02/25/25/785022525.db2.gz DPJGTFKWUHYOOT-XUWVNRHRSA-N 1 1 313.417 2.330 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051945 785022531 /nfs/dbraw/zinc/02/25/31/785022531.db2.gz DPJGTFKWUHYOOT-XUWVNRHRSA-N 1 1 313.417 2.330 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329064 786910449 /nfs/dbraw/zinc/91/04/49/786910449.db2.gz NVWXOSRTAVLPTD-BLLLJJGKSA-N 1 1 308.378 2.239 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC001170335642 786914912 /nfs/dbraw/zinc/91/49/12/786914912.db2.gz PSVVFJYKQIYPMX-DJSGYFEHSA-N 1 1 306.362 2.398 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001137492159 788370875 /nfs/dbraw/zinc/37/08/75/788370875.db2.gz MBTAQMJSCBHPDT-WDEREUQCSA-N 1 1 321.352 2.397 20 5 DEBDMO Cc1cc(N[C@@H](N)CCC[NH3+])c([N+](=O)[O-])cc1Br ZINC001170905109 789648990 /nfs/dbraw/zinc/64/89/90/789648990.db2.gz RUCWQMQZLQTCFO-LLVKDONJSA-N 1 1 317.187 2.101 20 5 DEBDMO O=C(C1CC1)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072376208 790127321 /nfs/dbraw/zinc/12/73/21/790127321.db2.gz PJCUGVHZBMGUQA-UHFFFAOYSA-N 1 1 315.373 2.039 20 5 DEBDMO COC(=O)[C@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903224 793523321 /nfs/dbraw/zinc/52/33/21/793523321.db2.gz FPKYGSZOMNQYPQ-GJZGRUSLSA-N 1 1 318.373 2.337 20 5 DEBDMO CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172921687 793533261 /nfs/dbraw/zinc/53/32/61/793533261.db2.gz QULLHWKRPWQYJB-JKSUJKDBSA-N 1 1 317.389 2.053 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@](C)(O)C2)c1F ZINC001173182457 793621599 /nfs/dbraw/zinc/62/15/99/793621599.db2.gz RXYMAXGSOGOBSZ-MEBBXXQBSA-N 1 1 312.341 2.130 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[N@H+]3CC[C@@H]3C2)c1F ZINC001173194586 793625188 /nfs/dbraw/zinc/62/51/88/793625188.db2.gz VWJKCBWIJAZPRT-NWDGAFQWSA-N 1 1 323.368 2.063 20 5 DEBDMO Cc1nc(CC[N@H+](C)[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173222706 793638778 /nfs/dbraw/zinc/63/87/78/793638778.db2.gz UQFMWPBEXLWWQQ-NSHDSACASA-N 1 1 304.350 2.392 20 5 DEBDMO CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225671 793642636 /nfs/dbraw/zinc/64/26/36/793642636.db2.gz FHOVOOFKUKFENB-SWLSCSKDSA-N 1 1 305.378 2.126 20 5 DEBDMO CC(=O)N1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC001173232291 793644130 /nfs/dbraw/zinc/64/41/30/793644130.db2.gz QNXHAVXFBSMUQI-OLZOCXBDSA-N 1 1 305.378 2.078 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001173229867 793644722 /nfs/dbraw/zinc/64/47/22/793644722.db2.gz VWUINDUVCWHOCN-YPMHNXCESA-N 1 1 314.332 2.475 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2C[C@@]2(CN(C)C)C1 ZINC001173232149 793644765 /nfs/dbraw/zinc/64/47/65/793644765.db2.gz PJFKZQUBRZORRH-YSVLISHTSA-N 1 1 303.406 2.409 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2C[C@@]2(CN(C)C)C1 ZINC001173232149 793644766 /nfs/dbraw/zinc/64/47/66/793644766.db2.gz PJFKZQUBRZORRH-YSVLISHTSA-N 1 1 303.406 2.409 20 5 DEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177313544 794638279 /nfs/dbraw/zinc/63/82/79/794638279.db2.gz BZGJQHQUTHUTTM-HZPDHXFCSA-N 1 1 323.437 2.060 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C(C)(C)C1 ZINC001178860544 795022000 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CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195761828 797951494 /nfs/dbraw/zinc/95/14/94/797951494.db2.gz QMPZZCZOWJTHAK-ZIAGYGMSSA-N 1 1 311.426 2.012 20 5 DEBDMO C[N@H+]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])C2(CCCC2)C1 ZINC001158405343 798401435 /nfs/dbraw/zinc/40/14/35/798401435.db2.gz QAPIMQQGOCVFTB-UHFFFAOYSA-N 1 1 311.773 2.103 20 5 DEBDMO COc1cc(C[NH2+]C[C@H](C)N2CCCCC2)c([N+](=O)[O-])cc1O ZINC001199609499 798506161 /nfs/dbraw/zinc/50/61/61/798506161.db2.gz TZCCDKOPCKUNEE-LBPRGKRZSA-N 1 1 323.393 2.273 20 5 DEBDMO CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160098333 798647988 /nfs/dbraw/zinc/64/79/88/798647988.db2.gz YGUQBXJUINBLBF-OBMMGQTPSA-N 1 1 321.421 2.146 20 5 DEBDMO CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160098333 798647992 /nfs/dbraw/zinc/64/79/92/798647992.db2.gz YGUQBXJUINBLBF-OBMMGQTPSA-N 1 1 321.421 2.146 20 5 DEBDMO CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160098333 798647996 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COCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000054353933 354459751 /nfs/dbraw/zinc/45/97/51/354459751.db2.gz SULFZEATIAWLDF-VIFPVBQESA-N 1 1 315.757 2.153 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000055401006 354496824 /nfs/dbraw/zinc/49/68/24/354496824.db2.gz HTCANWJGSDNJLE-ZIAGYGMSSA-N 1 1 319.405 2.374 20 5 DEBDMO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057717906 354578521 /nfs/dbraw/zinc/57/85/21/354578521.db2.gz MHYLYPBUYHEYRG-VIFPVBQESA-N 1 1 311.769 2.461 20 5 DEBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000060380190 354612198 /nfs/dbraw/zinc/61/21/98/354612198.db2.gz UMHKHCPCCONTQI-CYBMUJFWSA-N 1 1 324.400 2.419 20 5 DEBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000060380210 354612390 /nfs/dbraw/zinc/61/23/90/354612390.db2.gz PDQQIGAVAAQTAO-CQSZACIVSA-N 1 1 306.410 2.280 20 5 DEBDMO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000068127351 354798716 /nfs/dbraw/zinc/79/87/16/354798716.db2.gz QZHLUPKGIZLKSQ-AWEZNQCLSA-N 1 1 308.382 2.149 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2CCO)c2c(c1)COCO2 ZINC000070951331 354892698 /nfs/dbraw/zinc/89/26/98/354892698.db2.gz RWIMNIHDBPVRKW-AWEZNQCLSA-N 1 1 322.361 2.198 20 5 DEBDMO CO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000076347959 355143054 /nfs/dbraw/zinc/14/30/54/355143054.db2.gz PDLOUDFXBCGATA-RISCZKNCSA-N 1 1 307.350 2.033 20 5 DEBDMO CO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000076347959 355143057 /nfs/dbraw/zinc/14/30/57/355143057.db2.gz PDLOUDFXBCGATA-RISCZKNCSA-N 1 1 307.350 2.033 20 5 DEBDMO CC[C@H](C)[N@@H+](CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595593108 358494762 /nfs/dbraw/zinc/49/47/62/358494762.db2.gz NSSXWMZDOORGJL-JTQLQIEISA-N 1 1 323.349 2.382 20 5 DEBDMO Cc1c(NC(=O)[C@@H](C)N(C)Cc2cnc[nH]2)cccc1[N+](=O)[O-] ZINC000595593533 358494817 /nfs/dbraw/zinc/49/48/17/358494817.db2.gz HRCWUKGQUCBPGZ-LLVKDONJSA-N 1 1 317.349 2.085 20 5 DEBDMO Cc1c([C@@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000090884526 355568529 /nfs/dbraw/zinc/56/85/29/355568529.db2.gz GSJVJNKNCDNOGR-RISCZKNCSA-N 1 1 304.350 2.021 20 5 DEBDMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000111291370 355747112 /nfs/dbraw/zinc/74/71/12/355747112.db2.gz ODEVJZHJYQWWPX-OAHLLOKOSA-N 1 1 303.362 2.182 20 5 DEBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000111291370 355747114 /nfs/dbraw/zinc/74/71/14/355747114.db2.gz ODEVJZHJYQWWPX-OAHLLOKOSA-N 1 1 303.362 2.182 20 5 DEBDMO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695755 356210511 /nfs/dbraw/zinc/21/05/11/356210511.db2.gz UDRKYFOSIHYLMI-ZIAGYGMSSA-N 1 1 321.425 2.034 20 5 DEBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@H]1O ZINC000270023280 356352652 /nfs/dbraw/zinc/35/26/52/356352652.db2.gz AVOCLHPZWVKNPU-XJKSGUPXSA-N 1 1 308.378 2.457 20 5 DEBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000319527229 356441305 /nfs/dbraw/zinc/44/13/05/356441305.db2.gz DXXBWRRIIFYOKO-LLVKDONJSA-N 1 1 314.336 2.190 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000589879232 357502921 /nfs/dbraw/zinc/50/29/21/357502921.db2.gz PSXXEQHRJVGTDC-MRXNPFEDSA-N 1 1 313.361 2.070 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000589879231 357503197 /nfs/dbraw/zinc/50/31/97/357503197.db2.gz PSXXEQHRJVGTDC-INIZCTEOSA-N 1 1 313.361 2.070 20 5 DEBDMO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@H+](C2CC2)C1 ZINC000590703963 357587696 /nfs/dbraw/zinc/58/76/96/357587696.db2.gz PLQJADMWHTXKJI-LBPRGKRZSA-N 1 1 316.405 2.483 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000590765813 357606177 /nfs/dbraw/zinc/60/61/77/357606177.db2.gz WEVOGSNPDBLEEP-CQSZACIVSA-N 1 1 308.378 2.458 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000591464241 357726967 /nfs/dbraw/zinc/72/69/67/357726967.db2.gz XSAPCPDABHCYKD-LBPRGKRZSA-N 1 1 301.350 2.068 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591221476 357692435 /nfs/dbraw/zinc/69/24/35/357692435.db2.gz DQPQAKUFBAVULM-CWRNSKLLSA-N 1 1 317.389 2.251 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000591529550 357733133 /nfs/dbraw/zinc/73/31/33/357733133.db2.gz OOXRXCAFGBXVLH-CQSZACIVSA-N 1 1 317.389 2.426 20 5 DEBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCCN2)n1 ZINC000591578065 357738306 /nfs/dbraw/zinc/73/83/06/357738306.db2.gz SNPVINRACIMXDI-MELADBBJSA-N 1 1 307.398 2.007 20 5 DEBDMO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000591581820 357739534 /nfs/dbraw/zinc/73/95/34/357739534.db2.gz WYDYISMVBXYCAR-WXHSDQCUSA-N 1 1 311.357 2.344 20 5 DEBDMO CCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1CC[N@@H+](C)C1 ZINC000592833343 357954103 /nfs/dbraw/zinc/95/41/03/357954103.db2.gz YWUDCWBUSKKBLZ-AWEZNQCLSA-N 1 1 305.378 2.460 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCCC[C@@H]1CO ZINC000594017174 358190286 /nfs/dbraw/zinc/19/02/86/358190286.db2.gz SXFFVYCMRBXNRY-CYBMUJFWSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCCC[C@@H]1CO ZINC000594017174 358190287 /nfs/dbraw/zinc/19/02/87/358190287.db2.gz SXFFVYCMRBXNRY-CYBMUJFWSA-N 1 1 321.377 2.079 20 5 DEBDMO C[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595100748 358389695 /nfs/dbraw/zinc/38/96/95/358389695.db2.gz IRVDHHCJHMDHIQ-DYVFJYSZSA-N 1 1 319.405 2.499 20 5 DEBDMO COC(=O)CCC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595340484 358426052 /nfs/dbraw/zinc/42/60/52/358426052.db2.gz WSTUHRMIBMFBEM-UHFFFAOYSA-N 1 1 311.338 2.056 20 5 DEBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595391760 358438588 /nfs/dbraw/zinc/43/85/88/358438588.db2.gz ALVJKPUTSNURBO-GFCCVEGCSA-N 1 1 304.325 2.457 20 5 DEBDMO O=C1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]2N1 ZINC000595729873 358534959 /nfs/dbraw/zinc/53/49/59/358534959.db2.gz VQFMZXUYKNXROH-BXUZGUMPSA-N 1 1 323.780 2.349 20 5 DEBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]2N1 ZINC000595729873 358534960 /nfs/dbraw/zinc/53/49/60/358534960.db2.gz VQFMZXUYKNXROH-BXUZGUMPSA-N 1 1 323.780 2.349 20 5 DEBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@H+]1CCC[C@H](C)C1 ZINC000596076654 358604459 /nfs/dbraw/zinc/60/44/59/358604459.db2.gz BKOKXPAWXDBOJI-RYUDHWBXSA-N 1 1 320.393 2.226 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596086393 358606817 /nfs/dbraw/zinc/60/68/17/358606817.db2.gz YMSIZYDZTRKOER-RYUDHWBXSA-N 1 1 320.393 2.226 20 5 DEBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596125794 358616623 /nfs/dbraw/zinc/61/66/23/358616623.db2.gz GNSZKMOTVDMQPH-ZDUSSCGKSA-N 1 1 320.393 2.370 20 5 DEBDMO CC[N@H+]1CCCN(c2nc3sccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000596269580 358656262 /nfs/dbraw/zinc/65/62/62/358656262.db2.gz UJONKEQVHSPAJR-SNVBAGLBSA-N 1 1 309.395 2.225 20 5 DEBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1([NH3+])CCCC1 ZINC000596648227 358732131 /nfs/dbraw/zinc/73/21/31/358732131.db2.gz MNSBLXNWMIQBCN-GFCCVEGCSA-N 1 1 320.393 2.173 20 5 DEBDMO Cc1c(CC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597922711 359041484 /nfs/dbraw/zinc/04/14/84/359041484.db2.gz LABPQDFLVPIBHG-CQSZACIVSA-N 1 1 319.405 2.435 20 5 DEBDMO COc1c(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597926039 359044262 /nfs/dbraw/zinc/04/42/62/359044262.db2.gz ZUKNJFKWYMRYPX-LLVKDONJSA-N 1 1 321.377 2.206 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000598342026 359169333 /nfs/dbraw/zinc/16/93/33/359169333.db2.gz BIGVIBKJYCYETF-ZDUSSCGKSA-N 1 1 321.377 2.208 20 5 DEBDMO C[C@H](C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000599633276 359548743 /nfs/dbraw/zinc/54/87/43/359548743.db2.gz PFEKYEWWPDDCBB-CZUORRHYSA-N 1 1 324.425 2.300 20 5 DEBDMO CN1C[C@H]([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CCC1=O ZINC000600179211 359677513 /nfs/dbraw/zinc/67/75/13/359677513.db2.gz VQMSVBZDSNAVNX-HZRUHFOJSA-N 1 1 303.362 2.161 20 5 DEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601000018 359888817 /nfs/dbraw/zinc/88/88/17/359888817.db2.gz KXBSFQQUABWSOH-QWRGUYRKSA-N 1 1 307.325 2.091 20 5 DEBDMO C[C@H](CC[S@@](C)=O)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601119556 359928745 /nfs/dbraw/zinc/92/87/45/359928745.db2.gz BWMJQYWOGUTCSX-LADRHHBVSA-N 1 1 307.375 2.134 20 5 DEBDMO CC(=O)NC1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601108711 359923115 /nfs/dbraw/zinc/92/31/15/359923115.db2.gz JGMMFFOGIMEENS-UHFFFAOYSA-N 1 1 314.345 2.248 20 5 DEBDMO CCO[C@@H]1COCC[C@@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601141580 359938428 /nfs/dbraw/zinc/93/84/28/359938428.db2.gz FYVITYOBSQANAI-JKSUJKDBSA-N 1 1 317.345 2.171 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000281167973 216126303 /nfs/dbraw/zinc/12/63/03/216126303.db2.gz MCMSRESCKVCVRP-NSHDSACASA-N 1 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C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000173384688 402695349 /nfs/dbraw/zinc/69/53/49/402695349.db2.gz GOJDLAQHQCLUCH-HUUCEWRRSA-N 1 1 320.437 2.129 20 5 DEBDMO CCc1ccc(C(=O)NCC[N@H+](CC)C2CC2)cc1[N+](=O)[O-] ZINC000174183334 402730598 /nfs/dbraw/zinc/73/05/98/402730598.db2.gz QGJDHNVNBBVYOI-UHFFFAOYSA-N 1 1 305.378 2.371 20 5 DEBDMO Cc1csc(=O)n1CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192636944 402741803 /nfs/dbraw/zinc/74/18/03/402741803.db2.gz LXYGYQNOXHCIBN-UHFFFAOYSA-N 1 1 307.375 2.258 20 5 DEBDMO Cc1csc(=O)n1CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192636944 402741806 /nfs/dbraw/zinc/74/18/06/402741806.db2.gz LXYGYQNOXHCIBN-UHFFFAOYSA-N 1 1 307.375 2.258 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000174515953 402744520 /nfs/dbraw/zinc/74/45/20/402744520.db2.gz QJQHJCJJAIXSFU-MYSGNRETSA-N 1 1 317.389 2.408 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000174832943 402759800 /nfs/dbraw/zinc/75/98/00/402759800.db2.gz MLWBLWFZKSDKHJ-OAHLLOKOSA-N 1 1 320.349 2.066 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000174832943 402759802 /nfs/dbraw/zinc/75/98/02/402759802.db2.gz MLWBLWFZKSDKHJ-OAHLLOKOSA-N 1 1 320.349 2.066 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CCC(=O)OC ZINC000175138443 402782442 /nfs/dbraw/zinc/78/24/42/402782442.db2.gz MIHNAIFCGRTMRL-UHFFFAOYSA-N 1 1 310.350 2.379 20 5 DEBDMO COc1cccc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000194429236 402796912 /nfs/dbraw/zinc/79/69/12/402796912.db2.gz UAZCMIIYXNBPOB-ZDUSSCGKSA-N 1 1 321.377 2.016 20 5 DEBDMO COc1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000194429236 402796915 /nfs/dbraw/zinc/79/69/15/402796915.db2.gz UAZCMIIYXNBPOB-ZDUSSCGKSA-N 1 1 321.377 2.016 20 5 DEBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175733922 402827941 /nfs/dbraw/zinc/82/79/41/402827941.db2.gz ZIHAILKAUWLWBX-JTQLQIEISA-N 1 1 323.780 2.462 20 5 DEBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195094511 402831149 /nfs/dbraw/zinc/83/11/49/402831149.db2.gz OXILUFCJODSHTQ-KXPUMZMLSA-N 1 1 315.373 2.305 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183630707 402783912 /nfs/dbraw/zinc/78/39/12/402783912.db2.gz PYJLVWFERBPLAJ-NWDGAFQWSA-N 1 1 321.381 2.232 20 5 DEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000272594118 402957450 /nfs/dbraw/zinc/95/74/50/402957450.db2.gz UFOPQMYZVIXPLF-HIFRSBDPSA-N 1 1 308.378 2.457 20 5 DEBDMO Cc1c(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280438936 402999848 /nfs/dbraw/zinc/99/98/48/402999848.db2.gz MXYMGPCWBVIXOV-CZUORRHYSA-N 1 1 306.362 2.283 20 5 DEBDMO Cc1c(C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280438936 402999849 /nfs/dbraw/zinc/99/98/49/402999849.db2.gz MXYMGPCWBVIXOV-CZUORRHYSA-N 1 1 306.362 2.283 20 5 DEBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000280510789 403007895 /nfs/dbraw/zinc/00/78/95/403007895.db2.gz NMYQUYVEZWOKGX-MRXNPFEDSA-N 1 1 321.377 2.085 20 5 DEBDMO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000274423049 403054209 /nfs/dbraw/zinc/05/42/09/403054209.db2.gz DQRNATIZQSCWSR-CYBMUJFWSA-N 1 1 321.377 2.206 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268207625 403061740 /nfs/dbraw/zinc/06/17/40/403061740.db2.gz KBHIWVMPCOEELX-XHDPSFHLSA-N 1 1 303.362 2.116 20 5 DEBDMO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274729489 403082139 /nfs/dbraw/zinc/08/21/39/403082139.db2.gz AYVIRBBIOWDMKP-LLVKDONJSA-N 1 1 321.377 2.103 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275545528 403104633 /nfs/dbraw/zinc/10/46/33/403104633.db2.gz ZTLWTLWLIAXDIN-SMDDNHRTSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275545528 403104635 /nfs/dbraw/zinc/10/46/35/403104635.db2.gz ZTLWTLWLIAXDIN-SMDDNHRTSA-N 1 1 321.377 2.015 20 5 DEBDMO Cc1c([C@@H](C)NCCC[NH+]2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000268809986 403116486 /nfs/dbraw/zinc/11/64/86/403116486.db2.gz DMIAEQCYVJFVOB-CQSZACIVSA-N 1 1 321.421 2.401 20 5 DEBDMO COc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275772559 403122196 /nfs/dbraw/zinc/12/21/96/403122196.db2.gz YXPUHVZCIBSQCM-JSGCOSHPSA-N 1 1 307.394 2.375 20 5 DEBDMO COc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275772559 403122198 /nfs/dbraw/zinc/12/21/98/403122198.db2.gz YXPUHVZCIBSQCM-JSGCOSHPSA-N 1 1 307.394 2.375 20 5 DEBDMO COc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275772559 403122200 /nfs/dbraw/zinc/12/22/00/403122200.db2.gz YXPUHVZCIBSQCM-JSGCOSHPSA-N 1 1 307.394 2.375 20 5 DEBDMO CCOCCOCC[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000276236040 403156484 /nfs/dbraw/zinc/15/64/84/403156484.db2.gz LJEJAYMTNYHZEG-UHFFFAOYSA-N 1 1 312.366 2.088 20 5 DEBDMO CO[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000270682459 403212428 /nfs/dbraw/zinc/21/24/28/403212428.db2.gz ZBDZXFWNZFRSCX-AWEZNQCLSA-N 1 1 303.318 2.471 20 5 DEBDMO CO[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000270682459 403212430 /nfs/dbraw/zinc/21/24/30/403212430.db2.gz ZBDZXFWNZFRSCX-AWEZNQCLSA-N 1 1 303.318 2.471 20 5 DEBDMO CC[N@@H+](CCCO)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000270745754 403219846 /nfs/dbraw/zinc/21/98/46/403219846.db2.gz RVIVTXZDFNSKGF-LLVKDONJSA-N 1 1 320.349 2.410 20 5 DEBDMO CC[N@H+](CCOC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000270814437 403227191 /nfs/dbraw/zinc/22/71/91/403227191.db2.gz XHNKCDBUEAFJFK-GFCCVEGCSA-N 1 1 309.366 2.199 20 5 DEBDMO CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000270814437 403227192 /nfs/dbraw/zinc/22/71/92/403227192.db2.gz XHNKCDBUEAFJFK-GFCCVEGCSA-N 1 1 309.366 2.199 20 5 DEBDMO CCOCC[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000277585525 403233883 /nfs/dbraw/zinc/23/38/83/403233883.db2.gz CRDGCQSSQJEYBE-INIZCTEOSA-N 1 1 308.378 2.347 20 5 DEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc(N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000283404474 403195271 /nfs/dbraw/zinc/19/52/71/403195271.db2.gz AKUWFUOYTOCXEI-TXEJJXNPSA-N 1 1 322.409 2.477 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)cc1F ZINC000283454254 403198791 /nfs/dbraw/zinc/19/87/91/403198791.db2.gz HNZSLZMBRCJMGG-GFCCVEGCSA-N 1 1 310.325 2.319 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000277923899 403271227 /nfs/dbraw/zinc/27/12/27/403271227.db2.gz HBJHWUHVZGVZBJ-UHFFFAOYSA-N 1 1 303.362 2.214 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000277979051 403276501 /nfs/dbraw/zinc/27/65/01/403276501.db2.gz MEOBSJKIOGLFIN-ZDUSSCGKSA-N 1 1 305.378 2.317 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)C1 ZINC000292675445 403374042 /nfs/dbraw/zinc/37/40/42/403374042.db2.gz DIGFGLTVHSALJI-KRWDZBQOSA-N 1 1 316.405 2.485 20 5 DEBDMO C[C@H]([N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000298546577 403411054 /nfs/dbraw/zinc/41/10/54/403411054.db2.gz YDIIWFJCZFJZTM-NSHDSACASA-N 1 1 309.366 2.015 20 5 DEBDMO CN1CC[NH+](CCCNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000286170188 403465246 /nfs/dbraw/zinc/46/52/46/403465246.db2.gz PLWKJNHOPRWPNB-UHFFFAOYSA-N 1 1 312.801 2.298 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000332036419 403466768 /nfs/dbraw/zinc/46/67/68/403466768.db2.gz WWTJMSVTYIPRLY-CJNGLKHVSA-N 1 1 317.389 2.378 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000332233403 403523816 /nfs/dbraw/zinc/52/38/16/403523816.db2.gz MWZTZHXHSFERPQ-VXGBXAGGSA-N 1 1 317.393 2.386 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000345957387 403549051 /nfs/dbraw/zinc/54/90/51/403549051.db2.gz MLMMZPPIRZRCHM-MNOVXSKESA-N 1 1 309.341 2.289 20 5 DEBDMO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000293884800 403589835 /nfs/dbraw/zinc/58/98/35/403589835.db2.gz CXWXZVUJMDBWBS-BETUJISGSA-N 1 1 305.378 2.078 20 5 DEBDMO CC[C@H](C)[N@@H+](CCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000287246152 403558903 /nfs/dbraw/zinc/55/89/03/403558903.db2.gz GOVCZBMCVYDYPH-LBPRGKRZSA-N 1 1 323.393 2.325 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000293803062 403567487 /nfs/dbraw/zinc/56/74/87/403567487.db2.gz AEPVEADIPAIULM-MRXNPFEDSA-N 1 1 303.362 2.153 20 5 DEBDMO CC[C@@H](C)[N@@H+](CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000287490210 403608779 /nfs/dbraw/zinc/60/87/79/403608779.db2.gz SSCXLRWNAZMVDK-LLVKDONJSA-N 1 1 320.349 2.238 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000301557772 403647032 /nfs/dbraw/zinc/64/70/32/403647032.db2.gz SUCZQGFQESMISQ-CYBMUJFWSA-N 1 1 320.393 2.241 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)NC(C)C ZINC000347335555 403669313 /nfs/dbraw/zinc/66/93/13/403669313.db2.gz KLKWAWQPAZGCCE-JYRVWZFOSA-N 1 1 305.378 2.455 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(=O)NC(C)C ZINC000347335555 403669316 /nfs/dbraw/zinc/66/93/16/403669316.db2.gz KLKWAWQPAZGCCE-JYRVWZFOSA-N 1 1 305.378 2.455 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000343680121 403689694 /nfs/dbraw/zinc/68/96/94/403689694.db2.gz WAGDUTZLKIXQLF-AWEZNQCLSA-N 1 1 305.378 2.128 20 5 DEBDMO O=[N+]([O-])c1ccsc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000301931484 403703071 /nfs/dbraw/zinc/70/30/71/403703071.db2.gz LRIFOCDTCFPDJK-LBPRGKRZSA-N 1 1 311.407 2.205 20 5 DEBDMO CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000340698564 403650956 /nfs/dbraw/zinc/65/09/56/403650956.db2.gz WRSNOZCZOVESIK-ZDUSSCGKSA-N 1 1 319.405 2.425 20 5 DEBDMO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000295141651 403772143 /nfs/dbraw/zinc/77/21/43/403772143.db2.gz ZSUZVJRTTDMZKG-AWEZNQCLSA-N 1 1 311.357 2.326 20 5 DEBDMO CC(C)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000304306146 403778280 /nfs/dbraw/zinc/77/82/80/403778280.db2.gz JWEOOFSPWVHKFR-OAHLLOKOSA-N 1 1 310.398 2.195 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000341109533 403778660 /nfs/dbraw/zinc/77/86/60/403778660.db2.gz BHXIOXPJJWNKMV-GFCCVEGCSA-N 1 1 322.409 2.487 20 5 DEBDMO CC(C)[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304364098 403785859 /nfs/dbraw/zinc/78/58/59/403785859.db2.gz UTQSCSDSPNRYNY-MRXNPFEDSA-N 1 1 318.377 2.063 20 5 DEBDMO CSC1(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000347865235 403917468 /nfs/dbraw/zinc/91/74/68/403917468.db2.gz ZFCGUEDKZPDHBE-LLVKDONJSA-N 1 1 308.407 2.372 20 5 DEBDMO C[C@H]([N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000411777483 403966825 /nfs/dbraw/zinc/96/68/25/403966825.db2.gz ANNUXQUTRRZADS-NSHDSACASA-N 1 1 309.366 2.015 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000347978870 403990657 /nfs/dbraw/zinc/99/06/57/403990657.db2.gz LRWVULGSDZRNON-NSHDSACASA-N 1 1 309.341 2.337 20 5 DEBDMO C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347987232 403995920 /nfs/dbraw/zinc/99/59/20/403995920.db2.gz DGKSAOVGZRJQED-SDDRHHMPSA-N 1 1 323.368 2.388 20 5 DEBDMO Cc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000289786778 403998016 /nfs/dbraw/zinc/99/80/16/403998016.db2.gz RVTQXQCQZMJYCD-GDBMZVCRSA-N 1 1 319.405 2.198 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000344235437 403998307 /nfs/dbraw/zinc/99/83/07/403998307.db2.gz LFEQYJMWFRRWOT-TZMCWYRMSA-N 1 1 320.393 2.219 20 5 DEBDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000337418278 404011177 /nfs/dbraw/zinc/01/11/77/404011177.db2.gz ADXPLJKTZSBBBK-BONVTDFDSA-N 1 1 310.325 2.365 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](N2CCOCC2)[C@H]1C ZINC000351940089 404021997 /nfs/dbraw/zinc/02/19/97/404021997.db2.gz ZFRUNFFNFCGLLY-CPUCHLNUSA-N 1 1 319.405 2.451 20 5 DEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351936063 404022093 /nfs/dbraw/zinc/02/20/93/404022093.db2.gz OGMCATKMGDHQHN-NRUUGDAUSA-N 1 1 318.333 2.018 20 5 DEBDMO CC(C)[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000362998039 404040377 /nfs/dbraw/zinc/04/03/77/404040377.db2.gz URXVVZWCKRMOTF-AWEZNQCLSA-N 1 1 306.366 2.399 20 5 DEBDMO CO[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296014420 404052740 /nfs/dbraw/zinc/05/27/40/404052740.db2.gz MTGMPRMIFCGTBE-CABCVRRESA-N 1 1 308.378 2.375 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000290313793 404120197 /nfs/dbraw/zinc/12/01/97/404120197.db2.gz CJKZLDBPDKKKMO-HNNXBMFYSA-N 1 1 317.389 2.348 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412225731 404197265 /nfs/dbraw/zinc/19/72/65/404197265.db2.gz HBZVUQFENSNHHW-AVRGHOLYSA-N 1 1 317.389 2.249 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000412334865 404251449 /nfs/dbraw/zinc/25/14/49/404251449.db2.gz IRRVCUHVJVTZOK-UHOFOFEASA-N 1 1 317.389 2.251 20 5 DEBDMO COC1(C)CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000342130725 404388428 /nfs/dbraw/zinc/38/84/28/404388428.db2.gz GHYSPRVWBUQTMV-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000291804263 404530916 /nfs/dbraw/zinc/53/09/16/404530916.db2.gz CCOGPLMWPUGHRA-GFCCVEGCSA-N 1 1 323.393 2.452 20 5 DEBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000351618747 404673942 /nfs/dbraw/zinc/67/39/42/404673942.db2.gz IBIIHGXQBBPUFC-VXGBXAGGSA-N 1 1 318.377 2.454 20 5 DEBDMO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000415123605 404813076 /nfs/dbraw/zinc/81/30/76/404813076.db2.gz LLVNXGLTOBGGFM-NVXWUHKLSA-N 1 1 319.405 2.313 20 5 DEBDMO CNc1c(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361138052 404939107 /nfs/dbraw/zinc/93/91/07/404939107.db2.gz BLLMPWQLGHDNHP-LBPRGKRZSA-N 1 1 320.393 2.098 20 5 DEBDMO CCN(C)C(=O)[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000451315168 404950794 /nfs/dbraw/zinc/95/07/94/404950794.db2.gz QDKLSJBCDLXOTJ-AWEZNQCLSA-N 1 1 311.357 2.326 20 5 DEBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000361483006 405093307 /nfs/dbraw/zinc/09/33/07/405093307.db2.gz ZRSYCPYSLRUTDU-OAHLLOKOSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@@H](CO)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000361500599 405103535 /nfs/dbraw/zinc/10/35/35/405103535.db2.gz GXEUTERRWVHGTM-ZDUSSCGKSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000408219884 405142486 /nfs/dbraw/zinc/14/24/86/405142486.db2.gz RBVYQWYIODNDJZ-FRRDWIJNSA-N 1 1 305.382 2.226 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000452168505 405200485 /nfs/dbraw/zinc/20/04/85/405200485.db2.gz DLXVTCHXYXGUPK-LBPRGKRZSA-N 1 1 303.362 2.151 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](CCCO)C3)nc2c1 ZINC000452113114 405176031 /nfs/dbraw/zinc/17/60/31/405176031.db2.gz BMFHAXBGZGQHOS-LLVKDONJSA-N 1 1 304.350 2.066 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](CCCO)C3)nc2c1 ZINC000452113114 405176034 /nfs/dbraw/zinc/17/60/34/405176034.db2.gz BMFHAXBGZGQHOS-LLVKDONJSA-N 1 1 304.350 2.066 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452114784 405176251 /nfs/dbraw/zinc/17/62/51/405176251.db2.gz JSTGDBHHTIALJI-KGLIPLIRSA-N 1 1 306.362 2.460 20 5 DEBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000368119817 405228556 /nfs/dbraw/zinc/22/85/56/405228556.db2.gz YNXMOVDASPPTAA-CQSZACIVSA-N 1 1 313.361 2.096 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOCC3CCC3)C2)nc1 ZINC000419227426 405230716 /nfs/dbraw/zinc/23/07/16/405230716.db2.gz SNPCMDUTCNZMMW-AWEZNQCLSA-N 1 1 320.393 2.293 20 5 DEBDMO Cc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000425061069 405239998 /nfs/dbraw/zinc/23/99/98/405239998.db2.gz XUJXFPWAWKPWSP-SWLSCSKDSA-N 1 1 303.362 2.069 20 5 DEBDMO [NH3+]C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000420372283 405336222 /nfs/dbraw/zinc/33/62/22/405336222.db2.gz QFPFYDQLNFHNGA-INIZCTEOSA-N 1 1 307.394 2.471 20 5 DEBDMO [NH3+]C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000420372285 405336256 /nfs/dbraw/zinc/33/62/56/405336256.db2.gz QFPFYDQLNFHNGA-MRXNPFEDSA-N 1 1 307.394 2.471 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000426765684 405378074 /nfs/dbraw/zinc/37/80/74/405378074.db2.gz REPMSUFOXNGLHD-CYBMUJFWSA-N 1 1 322.409 2.243 20 5 DEBDMO Cc1cccc(NCCNC(=O)c2c(C)cccc2[N+](=O)[O-])[nH+]1 ZINC000446323102 405379047 /nfs/dbraw/zinc/37/90/47/405379047.db2.gz SHKNWACHYUUQCU-UHFFFAOYSA-N 1 1 314.345 2.449 20 5 DEBDMO CCOC(=O)c1cc(N(C)C[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000420643966 405367184 /nfs/dbraw/zinc/36/71/84/405367184.db2.gz YFOXORDHVVCYAA-ZDUSSCGKSA-N 1 1 321.377 2.302 20 5 DEBDMO [NH3+]C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000430637190 405473255 /nfs/dbraw/zinc/47/32/55/405473255.db2.gz KRRKPPFAXWJTPT-UHFFFAOYSA-N 1 1 316.361 2.215 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493483790 405542989 /nfs/dbraw/zinc/54/29/89/405542989.db2.gz KWTDUERXHABDTC-PGJNLMOESA-N 1 1 305.378 2.453 20 5 DEBDMO C[NH+]1CCN(CCCCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000580589977 405652359 /nfs/dbraw/zinc/65/23/59/405652359.db2.gz SAKALINMZGMVGC-UHFFFAOYSA-N 1 1 310.373 2.173 20 5 DEBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000457047220 405669919 /nfs/dbraw/zinc/66/99/19/405669919.db2.gz CGPVPDBODNRVOE-UHFFFAOYSA-N 1 1 309.341 2.338 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000457141568 405720203 /nfs/dbraw/zinc/72/02/03/405720203.db2.gz ZKEINUXKRQFIDS-ZDUSSCGKSA-N 1 1 309.341 2.289 20 5 DEBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000459768404 406037486 /nfs/dbraw/zinc/03/74/86/406037486.db2.gz RCWDWCJKTJAPOY-GFCCVEGCSA-N 1 1 306.341 2.493 20 5 DEBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459743278 406030179 /nfs/dbraw/zinc/03/01/79/406030179.db2.gz PUZWRAPJQOWIDL-CYBMUJFWSA-N 1 1 308.378 2.455 20 5 DEBDMO CC(=O)c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450600918 405973018 /nfs/dbraw/zinc/97/30/18/405973018.db2.gz XCCRFGBFGOGOMK-AWEZNQCLSA-N 1 1 321.377 2.056 20 5 DEBDMO O=C1CC[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1 ZINC000450598989 405973938 /nfs/dbraw/zinc/97/39/38/405973938.db2.gz KBZVVYPNIUMYDU-ZDUSSCGKSA-N 1 1 317.389 2.476 20 5 DEBDMO CSc1cccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000486954051 406192760 /nfs/dbraw/zinc/19/27/60/406192760.db2.gz HVNBXCJUXAAMGY-WDEREUQCSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1cccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000486954051 406192763 /nfs/dbraw/zinc/19/27/63/406192763.db2.gz HVNBXCJUXAAMGY-WDEREUQCSA-N 1 1 323.418 2.481 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000535742097 406233454 /nfs/dbraw/zinc/23/34/54/406233454.db2.gz DPUINOGVXKKTGL-RYUDHWBXSA-N 1 1 320.393 2.191 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000521717688 406363420 /nfs/dbraw/zinc/36/34/20/406363420.db2.gz LHGORKTVSAZPTF-UONOGXRCSA-N 1 1 319.405 2.499 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000523352517 406422088 /nfs/dbraw/zinc/42/20/88/406422088.db2.gz KSZGPLIYMZNMHM-LBPRGKRZSA-N 1 1 321.377 2.064 20 5 DEBDMO CC(C)OC[C@H](CO)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000571246545 406496194 /nfs/dbraw/zinc/49/61/94/406496194.db2.gz MGSWOXLBHZUBFS-LYASGUKUSA-N 1 1 308.378 2.326 20 5 DEBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000547797851 406447961 /nfs/dbraw/zinc/44/79/61/406447961.db2.gz PHARGWNUXUTZPZ-INIZCTEOSA-N 1 1 319.405 2.470 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491275789 406558455 /nfs/dbraw/zinc/55/84/55/406558455.db2.gz DZNBZBIYDHHELB-WBTMPAOCSA-N 1 1 317.389 2.455 20 5 DEBDMO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@@H]2C1 ZINC000491545400 406616615 /nfs/dbraw/zinc/61/66/15/406616615.db2.gz IOEZGVASOLVKTE-YVARQFDVSA-N 1 1 319.336 2.054 20 5 DEBDMO C[C@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000572830118 406744936 /nfs/dbraw/zinc/74/49/36/406744936.db2.gz HBKKJUZTFDVIOX-MQIPJXDCSA-N 1 1 317.389 2.297 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000555005902 406831515 /nfs/dbraw/zinc/83/15/15/406831515.db2.gz FUBPWOFWEQTAFN-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000555543258 406847239 /nfs/dbraw/zinc/84/72/39/406847239.db2.gz QOJOBLBDNIVKRX-UHFFFAOYSA-N 1 1 323.418 2.483 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000555543258 406847241 /nfs/dbraw/zinc/84/72/41/406847241.db2.gz QOJOBLBDNIVKRX-UHFFFAOYSA-N 1 1 323.418 2.483 20 5 DEBDMO C[C@@H](CO)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000132165766 196232734 /nfs/dbraw/zinc/23/27/34/196232734.db2.gz BXTHGNWNJSKHPQ-NSHDSACASA-N 1 1 305.334 2.105 20 5 DEBDMO CC[C@H](O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000134487618 196395503 /nfs/dbraw/zinc/39/55/03/196395503.db2.gz DWOCHHNCHQDQSL-HNNXBMFYSA-N 1 1 318.377 2.064 20 5 DEBDMO CCN1CC[NH+](CCCNc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000290979324 222044923 /nfs/dbraw/zinc/04/49/23/222044923.db2.gz PXTABNGJLKDAAC-UHFFFAOYSA-N 1 1 324.400 2.482 20 5 DEBDMO CCOC(=O)c1ccnc(NC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC001348379266 1151150405 /nfs/dbraw/zinc/15/04/05/1151150405.db2.gz RPHUZKGCRMLWFQ-LLVKDONJSA-N 1 1 322.365 2.063 20 5 DEBDMO COCC[N@@H+](C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413108605 228277127 /nfs/dbraw/zinc/27/71/27/228277127.db2.gz DUWKYTGWNIEWJV-UHFFFAOYSA-N 1 1 304.350 2.133 20 5 DEBDMO C[C@@H]1C[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000422624988 230156409 /nfs/dbraw/zinc/15/64/09/230156409.db2.gz AGUISUWXPPPBLA-MGPQQGTHSA-N 1 1 307.394 2.279 20 5 DEBDMO C[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000422625818 230158998 /nfs/dbraw/zinc/15/89/98/230158998.db2.gz COWQMRIZSNAOPU-MGPQQGTHSA-N 1 1 307.394 2.279 20 5 DEBDMO C[C@@H]1C[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000422625818 230158999 /nfs/dbraw/zinc/15/89/99/230158999.db2.gz COWQMRIZSNAOPU-MGPQQGTHSA-N 1 1 307.394 2.279 20 5 DEBDMO CC(C)Oc1nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000570107389 424926248 /nfs/dbraw/zinc/92/62/48/424926248.db2.gz UZMHAUJLJSJMCK-NWDGAFQWSA-N 1 1 308.382 2.672 20 5 DEBDMO C[N@H+]1CCCC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000599139468 425042852 /nfs/dbraw/zinc/04/28/52/425042852.db2.gz OIFQRXQPOFVVDZ-GFCCVEGCSA-N 1 1 315.377 2.682 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC4(CC3)OCCO4)nc2c1 ZINC000177000249 267551192 /nfs/dbraw/zinc/55/11/92/267551192.db2.gz VXUCQASFFDXDIG-UHFFFAOYSA-N 1 1 319.317 2.075 20 5 DEBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc2sccn21 ZINC000107830145 275032811 /nfs/dbraw/zinc/03/28/11/275032811.db2.gz SORUFPYIOWDHLG-VHSXEESVSA-N 1 1 307.379 2.343 20 5 DEBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000155061863 276052641 /nfs/dbraw/zinc/05/26/41/276052641.db2.gz IPNSKSORTSBUGQ-ZDUSSCGKSA-N 1 1 305.378 2.416 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269379621 276160816 /nfs/dbraw/zinc/16/08/16/276160816.db2.gz JBEZIERLLQFOSO-NSHDSACASA-N 1 1 323.397 2.046 20 5 DEBDMO CNc1c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000320624481 277301518 /nfs/dbraw/zinc/30/15/18/277301518.db2.gz SABXUZCYJQOTFA-NSHDSACASA-N 1 1 308.382 2.095 20 5 DEBDMO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000366304584 279131348 /nfs/dbraw/zinc/13/13/48/279131348.db2.gz AKYIUTXGEXDBEB-SNVBAGLBSA-N 1 1 309.757 2.323 20 5 DEBDMO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000366304584 279131349 /nfs/dbraw/zinc/13/13/49/279131349.db2.gz AKYIUTXGEXDBEB-SNVBAGLBSA-N 1 1 309.757 2.323 20 5 DEBDMO C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000248389285 279339864 /nfs/dbraw/zinc/33/98/64/279339864.db2.gz ASZLVCNYUQLSQB-NWDGAFQWSA-N 1 1 321.381 2.232 20 5 DEBDMO C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000245769949 279344540 /nfs/dbraw/zinc/34/45/40/279344540.db2.gz XBGVTAFRVJUZTD-NWDGAFQWSA-N 1 1 320.393 2.027 20 5 DEBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000301730881 279375012 /nfs/dbraw/zinc/37/50/12/279375012.db2.gz XKIVQCIKTRFQQC-GFCCVEGCSA-N 1 1 301.350 2.182 20 5 DEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000423678408 289188987 /nfs/dbraw/zinc/18/89/87/289188987.db2.gz IQNIIAVOAZOCTR-CYBMUJFWSA-N 1 1 315.732 2.022 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000576779893 326318725 /nfs/dbraw/zinc/31/87/25/326318725.db2.gz DBGDUYOYLQARAW-RYUDHWBXSA-N 1 1 323.368 2.390 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000576779893 326318727 /nfs/dbraw/zinc/31/87/27/326318727.db2.gz DBGDUYOYLQARAW-RYUDHWBXSA-N 1 1 323.368 2.390 20 5 DEBDMO Cc1nn(CCO)c(C)c1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001330182515 1149063312 /nfs/dbraw/zinc/06/33/12/1149063312.db2.gz PFLANKZBIHLHPL-NSHDSACASA-N 1 1 318.377 2.251 20 5 DEBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000331356934 533921520 /nfs/dbraw/zinc/92/15/20/533921520.db2.gz SOHZWHKOPXQLJL-RYUDHWBXSA-N 1 1 307.350 2.033 20 5 DEBDMO CSc1ccc(C(=O)NCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000299504513 534183596 /nfs/dbraw/zinc/18/35/96/534183596.db2.gz XDGHVIBLJNRERT-UHFFFAOYSA-N 1 1 320.374 2.252 20 5 DEBDMO C[N@H+]1CCC[C@@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163813797 523817506 /nfs/dbraw/zinc/81/75/06/523817506.db2.gz MZKLBLUTWRJBCO-OAHLLOKOSA-N 1 1 303.362 2.180 20 5 DEBDMO COCC[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000247738342 523857096 /nfs/dbraw/zinc/85/70/96/523857096.db2.gz NFFWHSMLTLCIMX-ZDUSSCGKSA-N 1 1 307.394 2.056 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000247423429 525832893 /nfs/dbraw/zinc/83/28/93/525832893.db2.gz ZFGHJRVKCUWWIH-OLZOCXBDSA-N 1 1 321.377 2.341 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCO[C@H](C)C1 ZINC000245403191 526146083 /nfs/dbraw/zinc/14/60/83/526146083.db2.gz KRZYMUBUEJUVIA-VXGBXAGGSA-N 1 1 307.350 2.033 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCO[C@H](C)C1 ZINC000245403191 526146093 /nfs/dbraw/zinc/14/60/93/526146093.db2.gz KRZYMUBUEJUVIA-VXGBXAGGSA-N 1 1 307.350 2.033 20 5 DEBDMO CC(C)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000441527144 527943710 /nfs/dbraw/zinc/94/37/10/527943710.db2.gz VVIJHORUIYMPPH-OAHLLOKOSA-N 1 1 310.398 2.053 20 5 DEBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000301980015 528261833 /nfs/dbraw/zinc/26/18/33/528261833.db2.gz HUWQNLLATPTOSN-GFCCVEGCSA-N 1 1 320.393 2.098 20 5 DEBDMO CCOC[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444652995 528939729 /nfs/dbraw/zinc/93/97/29/528939729.db2.gz STDFAHPSMZAEST-LLVKDONJSA-N 1 1 304.350 2.330 20 5 DEBDMO CCOC[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444652995 528939731 /nfs/dbraw/zinc/93/97/31/528939731.db2.gz STDFAHPSMZAEST-LLVKDONJSA-N 1 1 304.350 2.330 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000349117025 535361856 /nfs/dbraw/zinc/36/18/56/535361856.db2.gz IUBADOKGHSSNJU-CYBMUJFWSA-N 1 1 321.377 2.094 20 5 DEBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1Cl ZINC000355502965 536015399 /nfs/dbraw/zinc/01/53/99/536015399.db2.gz ULVSILYDQCPEAR-UHFFFAOYSA-N 1 1 323.740 2.285 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@H]1O ZINC000305339362 536307298 /nfs/dbraw/zinc/30/72/98/536307298.db2.gz ORPXNXCHTFEPBG-IUODEOHRSA-N 1 1 321.377 2.016 20 5 DEBDMO COC[C@H]1CCC[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121241981 623972344 /nfs/dbraw/zinc/97/23/44/623972344.db2.gz UXXGZWFVTHPARA-CYBMUJFWSA-N 1 1 304.350 2.321 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCCCNC(=O)CC1 ZINC000934154305 624754523 /nfs/dbraw/zinc/75/45/23/624754523.db2.gz HFMDNCBYOYLWBG-UHFFFAOYSA-N 1 1 321.377 2.096 20 5 DEBDMO C[C@@H](Nc1c([N+](=O)[O-])cnn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893119405 625124823 /nfs/dbraw/zinc/12/48/23/625124823.db2.gz QVBDFUHRFZHNLH-NEPJUHHUSA-N 1 1 307.398 2.393 20 5 DEBDMO C[N@@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCSC1 ZINC000124957679 633455034 /nfs/dbraw/zinc/45/50/34/633455034.db2.gz ANUDYYGRRJCXRA-CYBMUJFWSA-N 1 1 319.390 2.248 20 5 DEBDMO COc1c(O)ccc(CN2CC[N@@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000893459647 633751262 /nfs/dbraw/zinc/75/12/62/633751262.db2.gz AWDQXIXXXQKEPI-CYBMUJFWSA-N 1 1 323.393 2.081 20 5 DEBDMO O=C(C1CCC1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980595723 635057483 /nfs/dbraw/zinc/05/74/83/635057483.db2.gz TWRYUHQJXKKGDU-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO O=C(C1CCC1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980595723 635057487 /nfs/dbraw/zinc/05/74/87/635057487.db2.gz TWRYUHQJXKKGDU-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO O=C(NCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001001091192 635405983 /nfs/dbraw/zinc/40/59/83/635405983.db2.gz LNEKZMJXXBRYDL-UHFFFAOYSA-N 1 1 323.418 2.395 20 5 DEBDMO C[C@H](NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000894016070 636093226 /nfs/dbraw/zinc/09/32/26/636093226.db2.gz JCIRAERFQINHMT-ZOWXZIJZSA-N 1 1 318.377 2.001 20 5 DEBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413268496 636552819 /nfs/dbraw/zinc/55/28/19/636552819.db2.gz QYXDFQYWGGDGCL-JTQLQIEISA-N 1 1 305.313 2.246 20 5 DEBDMO O=C(C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029181561 637311700 /nfs/dbraw/zinc/31/17/00/637311700.db2.gz COZAGOABFCVPCS-IYBDPMFKSA-N 1 1 315.373 2.180 20 5 DEBDMO O=C(C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029181561 637311705 /nfs/dbraw/zinc/31/17/05/637311705.db2.gz COZAGOABFCVPCS-IYBDPMFKSA-N 1 1 315.373 2.180 20 5 DEBDMO COc1ccc(C(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000788113662 637639550 /nfs/dbraw/zinc/63/95/50/637639550.db2.gz BNRDZTCPWXPYEA-QWHCGFSZSA-N 1 1 320.345 2.387 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@H]2C2(O)CC2)cc1 ZINC000839141982 637804179 /nfs/dbraw/zinc/80/41/79/637804179.db2.gz DEALXDFVNPWOAT-CABCVRRESA-N 1 1 306.362 2.008 20 5 DEBDMO C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895245948 637846736 /nfs/dbraw/zinc/84/67/36/637846736.db2.gz KDVFHNJYWREKHV-YGRLFVJLSA-N 1 1 312.801 2.294 20 5 DEBDMO CC[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000741032079 637933930 /nfs/dbraw/zinc/93/39/30/637933930.db2.gz FYMNYWDDCGXNBK-AWEZNQCLSA-N 1 1 322.361 2.441 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000896666182 638634119 /nfs/dbraw/zinc/63/41/19/638634119.db2.gz DCMKASSDJHVPCL-YPMHNXCESA-N 1 1 305.378 2.424 20 5 DEBDMO Cc1nn(C[NH+]2C[C@H](C)S[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749961988 638698336 /nfs/dbraw/zinc/69/83/36/638698336.db2.gz VGHGIMOWZAOARU-UWVGGRQHSA-N 1 1 321.406 2.431 20 5 DEBDMO CC(=O)c1cc(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000896913904 639069378 /nfs/dbraw/zinc/06/93/78/639069378.db2.gz XXVHAJNOJGWKAM-WBMJQRKESA-N 1 1 303.362 2.185 20 5 DEBDMO C[C@H]1C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000751932390 639136790 /nfs/dbraw/zinc/13/67/90/639136790.db2.gz ZSBPMGOHFZZCON-TXEJJXNPSA-N 1 1 301.350 2.399 20 5 DEBDMO Cc1cccc(C(=O)OC[C@@H]2C[N@H+](C(C)C)CCO2)c1[N+](=O)[O-] ZINC000753949454 639365540 /nfs/dbraw/zinc/36/55/40/639365540.db2.gz KBUIOOJBMDFYIH-ZDUSSCGKSA-N 1 1 322.361 2.169 20 5 DEBDMO Cc1cccc(C(=O)OC[C@@H]2C[N@@H+](C(C)C)CCO2)c1[N+](=O)[O-] ZINC000753949454 639365544 /nfs/dbraw/zinc/36/55/44/639365544.db2.gz KBUIOOJBMDFYIH-ZDUSSCGKSA-N 1 1 322.361 2.169 20 5 DEBDMO CC[N@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H]1C ZINC000754079562 639382566 /nfs/dbraw/zinc/38/25/66/639382566.db2.gz KDPKYOYRQJCJCQ-LLVKDONJSA-N 1 1 318.377 2.010 20 5 DEBDMO C[N@@H+](CCC1CCCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985433978 639404459 /nfs/dbraw/zinc/40/44/59/639404459.db2.gz OUJCCRJECOYXQT-HZPDHXFCSA-N 1 1 323.437 2.155 20 5 DEBDMO C[N@H+](CCC1CCCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985433978 639404461 /nfs/dbraw/zinc/40/44/61/639404461.db2.gz OUJCCRJECOYXQT-HZPDHXFCSA-N 1 1 323.437 2.155 20 5 DEBDMO C[N@@H+](CCC1CCCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985433978 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/nfs/dbraw/zinc/63/43/28/798634328.db2.gz TXVDUEFENDPSEM-HZPDHXFCSA-N 1 1 323.437 2.203 20 5 DEBDMO Cc1c(C)c(-n2cc(CC[NH3+])c3cnccc32)ncc1[N+](=O)[O-] ZINC001160950116 798768901 /nfs/dbraw/zinc/76/89/01/798768901.db2.gz JGWHVWUQLPFPDG-UHFFFAOYSA-N 1 1 311.345 2.447 20 5 DEBDMO CCOC(=O)c1ccnc(NCC[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC001160969004 798773197 /nfs/dbraw/zinc/77/31/97/798773197.db2.gz RLIJNZSIPYMIGG-LLVKDONJSA-N 1 1 322.365 2.063 20 5 DEBDMO [NH3+][C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CCC1(F)F ZINC001164324454 799572789 /nfs/dbraw/zinc/57/27/89/799572789.db2.gz SYQXTTIUNGWWTR-GFCCVEGCSA-N 1 1 308.288 2.316 20 5 DEBDMO CN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)[C@H]1CC[C@H](O)CC1 ZINC001165224775 799677381 /nfs/dbraw/zinc/67/73/81/799677381.db2.gz GGSJAYREYPNXQU-WQTOGLNBSA-N 1 1 320.393 2.262 20 5 DEBDMO COc1nc(C)c(NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001165278870 799695338 /nfs/dbraw/zinc/69/53/38/799695338.db2.gz MYMLDOSRJLZZBM-GFCCVEGCSA-N 1 1 308.382 2.451 20 5 DEBDMO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@H+](CC[N+](=O)[O-])C2 ZINC000933041683 799999542 /nfs/dbraw/zinc/99/95/42/799999542.db2.gz IMKHHFXUEAPDOY-OAHLLOKOSA-N 1 1 313.398 2.129 20 5 DEBDMO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@@H+](CC[N+](=O)[O-])C2 ZINC000933041683 799999548 /nfs/dbraw/zinc/99/95/48/799999548.db2.gz IMKHHFXUEAPDOY-OAHLLOKOSA-N 1 1 313.398 2.129 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c(F)c1 ZINC000933061594 800002834 /nfs/dbraw/zinc/00/28/34/800002834.db2.gz NQVXYLXAOABBGP-AWEZNQCLSA-N 1 1 324.352 2.240 20 5 DEBDMO C[N@H+]1C[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@]2(C)C1 ZINC000933739202 800175705 /nfs/dbraw/zinc/17/57/05/800175705.db2.gz FKMNDPLYPYDOIQ-BZNIZROVSA-N 1 1 316.361 2.120 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934118119 800266435 /nfs/dbraw/zinc/26/64/35/800266435.db2.gz KASACIXPRQNKGL-LEWSCRJBSA-N 1 1 307.350 2.031 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934118119 800266436 /nfs/dbraw/zinc/26/64/36/800266436.db2.gz KASACIXPRQNKGL-LEWSCRJBSA-N 1 1 307.350 2.031 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934119294 800266666 /nfs/dbraw/zinc/26/66/66/800266666.db2.gz OKPHEROXCHHBOS-LEWSCRJBSA-N 1 1 307.350 2.031 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934119294 800266671 /nfs/dbraw/zinc/26/66/71/800266671.db2.gz OKPHEROXCHHBOS-LEWSCRJBSA-N 1 1 307.350 2.031 20 5 DEBDMO C[C@]1(C2CC2)COCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000934476927 800367654 /nfs/dbraw/zinc/36/76/54/800367654.db2.gz DYLOIPJJDFYRQG-JKSUJKDBSA-N 1 1 306.362 2.129 20 5 DEBDMO C[C@]1(C2CC2)COCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000934476927 800367661 /nfs/dbraw/zinc/36/76/61/800367661.db2.gz DYLOIPJJDFYRQG-JKSUJKDBSA-N 1 1 306.362 2.129 20 5 DEBDMO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C)C1 ZINC001229903384 801335236 /nfs/dbraw/zinc/33/52/36/801335236.db2.gz NKSLKUDBHUYJTQ-NSHDSACASA-N 1 1 308.334 2.163 20 5 DEBDMO O=[N+]([O-])c1ccnc(Cl)c1OC1CC[NH+](CCF)CC1 ZINC001225431724 802965051 /nfs/dbraw/zinc/96/50/51/802965051.db2.gz TZBJSMXSBZQMAP-UHFFFAOYSA-N 1 1 303.721 2.456 20 5 DEBDMO Cc1nc(Cl)nc(OC2CC[NH+](CCF)CC2)c1[N+](=O)[O-] ZINC001227334316 803231295 /nfs/dbraw/zinc/23/12/95/803231295.db2.gz IDPBNKYFJIPKBX-UHFFFAOYSA-N 1 1 318.736 2.159 20 5 DEBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)c(O)cc1Cl ZINC001227641074 803263935 /nfs/dbraw/zinc/26/39/35/803263935.db2.gz JMQKYCJXJBKHSA-MRVPVSSYSA-O 1 1 323.196 2.062 20 5 DEBDMO O=[N+]([O-])c1c(Cl)nccc1OC1CC[NH+](CCF)CC1 ZINC001228058583 803313658 /nfs/dbraw/zinc/31/36/58/803313658.db2.gz WOZUOMWNBQWBNB-UHFFFAOYSA-N 1 1 303.721 2.456 20 5 DEBDMO Cc1cc(C(=O)Nc2cc(C)[nH+]c(C)c2)c(N)c([N+](=O)[O-])c1 ZINC001336026773 1150595322 /nfs/dbraw/zinc/59/53/22/1150595322.db2.gz KUAWEYJRKYRHFY-UHFFFAOYSA-N 1 1 300.318 2.171 20 5 DEBDMO Cc1ccc(NCCNC(=O)c2ccc([N+](=O)[O-])cc2C)[nH+]c1 ZINC001343380523 1150738617 /nfs/dbraw/zinc/73/86/17/1150738617.db2.gz FSFRDDZIYHNZDE-UHFFFAOYSA-N 1 1 314.345 2.449 20 5 DEBDMO CN(CCC[N@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)C(F)F ZINC001502152412 1060001116 /nfs/dbraw/zinc/00/11/16/1060001116.db2.gz GCHSNFCNGBMBIP-UHFFFAOYSA-N 1 1 321.349 2.202 20 5 DEBDMO CN(CCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)C(F)F ZINC001502152412 1060001142 /nfs/dbraw/zinc/00/11/42/1060001142.db2.gz GCHSNFCNGBMBIP-UHFFFAOYSA-N 1 1 321.349 2.202 20 5 DEBDMO CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001569452589 1065518097 /nfs/dbraw/zinc/51/80/97/1065518097.db2.gz UVMMXFLMQIACFU-HZPDHXFCSA-N 1 1 323.437 2.155 20 5 DEBDMO CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001569452589 1065518108 /nfs/dbraw/zinc/51/81/08/1065518108.db2.gz UVMMXFLMQIACFU-HZPDHXFCSA-N 1 1 323.437 2.155 20 5 DEBDMO CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001569452589 1065518120 /nfs/dbraw/zinc/51/81/20/1065518120.db2.gz UVMMXFLMQIACFU-HZPDHXFCSA-N 1 1 323.437 2.155 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001569473080 1065527224 /nfs/dbraw/zinc/52/72/24/1065527224.db2.gz WSBBVUIXPCKSAU-STQMWFEESA-N 1 1 321.352 2.080 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001569473080 1065527236 /nfs/dbraw/zinc/52/72/36/1065527236.db2.gz WSBBVUIXPCKSAU-STQMWFEESA-N 1 1 321.352 2.080 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001626679065 1078260136 /nfs/dbraw/zinc/26/01/36/1078260136.db2.gz QHRFTAIRFKCREY-NEPJUHHUSA-N 1 1 320.393 2.027 20 5 DEBDMO C[C@H]1[C@@H](C)N(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC001576761450 1066682102 /nfs/dbraw/zinc/68/21/02/1066682102.db2.gz ZMWHHOFNJYASQD-DSZLRUIBSA-N 1 1 305.378 2.272 20 5 DEBDMO C[C@H](NC(=O)CC[N@H+]1CC[C@H](F)C1)c1ccc([N+](=O)[O-])cc1 ZINC001634545331 1078430817 /nfs/dbraw/zinc/43/08/17/1078430817.db2.gz KXKIGJAKENYODB-AAEUAGOBSA-N 1 1 309.341 2.206 20 5 DEBDMO Cc1ccc(NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)nc1 ZINC001579715726 1067409894 /nfs/dbraw/zinc/40/98/94/1067409894.db2.gz JAAOWTNLSBSBCN-HNNXBMFYSA-N 1 1 300.318 2.111 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC001637494485 1078522114 /nfs/dbraw/zinc/52/21/14/1078522114.db2.gz FUWGTKJHISEGDC-GHMZBOCLSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC001637494485 1078522117 /nfs/dbraw/zinc/52/21/17/1078522117.db2.gz FUWGTKJHISEGDC-GHMZBOCLSA-N 1 1 309.341 2.207 20 5 DEBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001640496992 1078663424 /nfs/dbraw/zinc/66/34/24/1078663424.db2.gz FIXRMNOTQJCEJU-RYUDHWBXSA-N 1 1 316.336 2.375 20 5 DEBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001640496992 1078663426 /nfs/dbraw/zinc/66/34/26/1078663426.db2.gz FIXRMNOTQJCEJU-RYUDHWBXSA-N 1 1 316.336 2.375 20 5 DEBDMO COc1ccc(C[C@H]2CC[N@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC001641993113 1078737810 /nfs/dbraw/zinc/73/78/10/1078737810.db2.gz XXKFGJWYIZVSSY-CQSZACIVSA-N 1 1 316.361 2.117 20 5 DEBDMO Nc1ccc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC001642044792 1078739643 /nfs/dbraw/zinc/73/96/43/1078739643.db2.gz FAHOPDHCQDKEJT-ZDUSSCGKSA-N 1 1 304.350 2.132 20 5 DEBDMO Nc1ccc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC001642044792 1078739650 /nfs/dbraw/zinc/73/96/50/1078739650.db2.gz FAHOPDHCQDKEJT-ZDUSSCGKSA-N 1 1 304.350 2.132 20 5 DEBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001642108460 1078742484 /nfs/dbraw/zinc/74/24/84/1078742484.db2.gz FSMSOARSTSLBBA-UHFFFAOYSA-N 1 1 308.382 2.027 20 5 DEBDMO C[N@H+]1C[C@@]23CN(c4cc(N)ccc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001516243090 1068916661 /nfs/dbraw/zinc/91/66/61/1068916661.db2.gz CTUHTXNFRHSJDB-CALCHBBNSA-N 1 1 316.405 2.489 20 5 DEBDMO CC[N@@H+](CCNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC001517258111 1068960356 /nfs/dbraw/zinc/96/03/56/1068960356.db2.gz BAKVIUJOKYJORF-UHFFFAOYSA-N 1 1 324.381 2.455 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc([N+](=O)[O-])c1 ZINC001520384492 1069130070 /nfs/dbraw/zinc/13/00/70/1069130070.db2.gz LMADFWNNFXDUCZ-INIZCTEOSA-N 1 1 318.377 2.463 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001645341390 1078895726 /nfs/dbraw/zinc/89/57/26/1078895726.db2.gz NRHOZFAGKODDDE-AWEZNQCLSA-N 1 1 305.378 2.363 20 5 DEBDMO Cc1n[nH]cc1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001560054212 1075132091 /nfs/dbraw/zinc/13/20/91/1075132091.db2.gz VNYLKBUBCDWRLC-UHFFFAOYSA-N 1 1 317.349 2.087 20 5 DEBDMO COc1ccc(C[NH2+]Cc2cccc(N(C)C)n2)cc1[N+](=O)[O-] ZINC001560404476 1075139721 /nfs/dbraw/zinc/13/97/21/1075139721.db2.gz XEYRFIVOBIIJEG-UHFFFAOYSA-N 1 1 316.361 2.354 20 5 DEBDMO C[N@H+]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001597314998 1077092482 /nfs/dbraw/zinc/09/24/82/1077092482.db2.gz WFDISTIYOXCNQH-CQSZACIVSA-N 1 1 319.405 2.329 20 5 DEBDMO Cc1cn2cc(Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)ccc2[nH+]1 ZINC001651544940 1079817738 /nfs/dbraw/zinc/81/77/38/1079817738.db2.gz VGJWEQVVXWVDOR-UHFFFAOYSA-N 1 1 311.301 2.393 20 5 DEBDMO Cn1cc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nn1 ZINC001655066258 1079985253 /nfs/dbraw/zinc/98/52/53/1079985253.db2.gz MLMXZNWOCCPBJB-LBPRGKRZSA-N 1 1 319.340 2.242 20 5 DEBDMO Cn1cc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nn1 ZINC001655066258 1079985258 /nfs/dbraw/zinc/98/52/58/1079985258.db2.gz MLMXZNWOCCPBJB-LBPRGKRZSA-N 1 1 319.340 2.242 20 5 DEBDMO C/C=C(\C)C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001481618464 1080147908 /nfs/dbraw/zinc/14/79/08/1080147908.db2.gz DXORIKSDNOPCDK-KGVSQERTSA-N 1 1 303.362 2.109 20 5 DEBDMO Cc1nnc2n1CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001660725640 1080387937 /nfs/dbraw/zinc/38/79/37/1080387937.db2.gz FEQWPTGUBITNQU-LLVKDONJSA-N 1 1 301.350 2.114 20 5 DEBDMO Cc1nnc2n1CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001660725640 1080387945 /nfs/dbraw/zinc/38/79/45/1080387945.db2.gz FEQWPTGUBITNQU-LLVKDONJSA-N 1 1 301.350 2.114 20 5 DEBDMO Cc1[nH]ccc1C(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001266266052 1081926915 /nfs/dbraw/zinc/92/69/15/1081926915.db2.gz SYSRFNMJYPNHAU-UHFFFAOYSA-N 1 1 316.361 2.093 20 5 DEBDMO Cc1[nH]ccc1C(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001266266052 1081926919 /nfs/dbraw/zinc/92/69/19/1081926919.db2.gz SYSRFNMJYPNHAU-UHFFFAOYSA-N 1 1 316.361 2.093 20 5 DEBDMO O=C(CC1CC1)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001276991467 1083723273 /nfs/dbraw/zinc/72/32/73/1083723273.db2.gz IDISQLKQOQEMAB-UHFFFAOYSA-N 1 1 309.391 2.195 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)n1 ZINC001234881087 1084227086 /nfs/dbraw/zinc/22/70/86/1084227086.db2.gz LWWAXKRTPPRVLY-YABSGUDNSA-N 1 1 307.350 2.108 20 5 DEBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001296877621 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20 5 DEBDMO C[C@H]1C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000177038276 402362491 /nfs/dbraw/zinc/36/24/91/402362491.db2.gz USOMGHUSIPPUFM-VRPCIMHSSA-N 1 1 315.373 2.349 20 5 DEBDMO Cc1c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000177198848 402380568 /nfs/dbraw/zinc/38/05/68/402380568.db2.gz DWJXUEWIHPUHOY-ZYHUDNBSSA-N 1 1 303.362 2.258 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000163198287 402443878 /nfs/dbraw/zinc/44/38/78/402443878.db2.gz BQDSAXHXWAMLNY-GFCCVEGCSA-N 1 1 306.366 2.367 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000247310083 402563032 /nfs/dbraw/zinc/56/30/32/402563032.db2.gz HJZSXYXAMAQODW-IINYFYTJSA-N 1 1 309.341 2.146 20 5 DEBDMO COCC(C)(C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000178602309 402515970 /nfs/dbraw/zinc/51/59/70/402515970.db2.gz RLIBAVNEBLEKHH-UHFFFAOYSA-N 1 1 306.322 2.159 20 5 DEBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCOC1 ZINC000178761950 402535842 /nfs/dbraw/zinc/53/58/42/402535842.db2.gz ZABLLGXXPUWVCQ-NSHDSACASA-N 1 1 318.333 2.113 20 5 DEBDMO CNC(=O)[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182778367 402715816 /nfs/dbraw/zinc/71/58/16/402715816.db2.gz YZCVXOZWUCIJCU-OLZOCXBDSA-N 1 1 305.378 2.422 20 5 DEBDMO CN(C)C(=O)CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000182220230 402673420 /nfs/dbraw/zinc/67/34/20/402673420.db2.gz YYJWIFXRTLTZQB-UHFFFAOYSA-N 1 1 323.368 2.424 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255165894 402680569 /nfs/dbraw/zinc/68/05/69/402680569.db2.gz NXAKCYRRFKEQEZ-KTKRTIGZSA-N 1 1 305.378 2.456 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000255294556 402683032 /nfs/dbraw/zinc/68/30/32/402683032.db2.gz PMIVAZWSWXGENP-ZPIQOJFGSA-N 1 1 317.389 2.408 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000183374716 402760739 /nfs/dbraw/zinc/76/07/39/402760739.db2.gz PQBLRSMTBBHINZ-HNNXBMFYSA-N 1 1 320.324 2.084 20 5 DEBDMO COCC[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000273072642 402968457 /nfs/dbraw/zinc/96/84/57/402968457.db2.gz JRMLMOOKBUUOQG-LBPRGKRZSA-N 1 1 313.785 2.059 20 5 DEBDMO COCC[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000273072642 402968459 /nfs/dbraw/zinc/96/84/59/402968459.db2.gz JRMLMOOKBUUOQG-LBPRGKRZSA-N 1 1 313.785 2.059 20 5 DEBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000279474208 402946518 /nfs/dbraw/zinc/94/65/18/402946518.db2.gz SONKRMLELITDRI-ZKKXHLJNSA-N 1 1 319.405 2.261 20 5 DEBDMO COC[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000265837535 402954866 /nfs/dbraw/zinc/95/48/66/402954866.db2.gz VQVJOBVSHGGGCC-LLVKDONJSA-N 1 1 318.333 2.113 20 5 DEBDMO COC[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000265837537 402955072 /nfs/dbraw/zinc/95/50/72/402955072.db2.gz VQVJOBVSHGGGCC-NSHDSACASA-N 1 1 318.333 2.113 20 5 DEBDMO CC(C)[C@@H](CNc1cccc(F)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000266187513 402967241 /nfs/dbraw/zinc/96/72/41/402967241.db2.gz XMCNCUVXBBCNTI-OAHLLOKOSA-N 1 1 324.400 2.418 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272370778 402928824 /nfs/dbraw/zinc/92/88/24/402928824.db2.gz GOPVWHLRLWCAEX-FZMZJTMJSA-N 1 1 304.350 2.153 20 5 DEBDMO Cc1c(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280438932 403000043 /nfs/dbraw/zinc/00/00/43/403000043.db2.gz MXYMGPCWBVIXOV-BBRMVZONSA-N 1 1 306.362 2.283 20 5 DEBDMO Cc1c(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280438932 403000045 /nfs/dbraw/zinc/00/00/45/403000045.db2.gz MXYMGPCWBVIXOV-BBRMVZONSA-N 1 1 306.362 2.283 20 5 DEBDMO COCC[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000266943109 403002042 /nfs/dbraw/zinc/00/20/42/403002042.db2.gz XCNYJFOFADSHHA-UHFFFAOYSA-N 1 1 313.785 2.012 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000273469948 403007551 /nfs/dbraw/zinc/00/75/51/403007551.db2.gz OKLNZBLCDNVPOY-KGLIPLIRSA-N 1 1 322.340 2.482 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000268234728 403064579 /nfs/dbraw/zinc/06/45/79/403064579.db2.gz SVYVACOYXMSWME-FZMZJTMJSA-N 1 1 303.362 2.116 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000276359333 403167350 /nfs/dbraw/zinc/16/73/50/403167350.db2.gz AEOOAABHHPUWGA-ZWNOBZJWSA-N 1 1 310.325 2.365 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000276359333 403167352 /nfs/dbraw/zinc/16/73/52/403167352.db2.gz AEOOAABHHPUWGA-ZWNOBZJWSA-N 1 1 310.325 2.365 20 5 DEBDMO Cc1c(CC(=O)N2CCC[N@H+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000269655873 403154260 /nfs/dbraw/zinc/15/42/60/403154260.db2.gz FJQXHZTVUNHCHN-UHFFFAOYSA-N 1 1 319.405 2.388 20 5 DEBDMO CC(C)C[C@@H]1COCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667392 403155491 /nfs/dbraw/zinc/15/54/91/403155491.db2.gz SSMOPPQNHGKCRV-HZPDHXFCSA-N 1 1 308.378 2.375 20 5 DEBDMO CC(C)C[C@@H]1COCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667392 403155493 /nfs/dbraw/zinc/15/54/93/403155493.db2.gz SSMOPPQNHGKCRV-HZPDHXFCSA-N 1 1 308.378 2.375 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277368861 403210381 /nfs/dbraw/zinc/21/03/81/403210381.db2.gz CWKYXCHHJIFPMP-ZDUSSCGKSA-N 1 1 321.377 2.208 20 5 DEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000283703067 403216524 /nfs/dbraw/zinc/21/65/24/403216524.db2.gz CRESOOPTMROSHX-OCCSQVGLSA-N 1 1 303.362 2.470 20 5 DEBDMO CC(C)[N@H+](CCOCCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000283766303 403221867 /nfs/dbraw/zinc/22/18/67/403221867.db2.gz OEPOCKDIVZWKIA-UHFFFAOYSA-N 1 1 316.785 2.468 20 5 DEBDMO CC(C)[N@@H+](CCOCCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000283766303 403221869 /nfs/dbraw/zinc/22/18/69/403221869.db2.gz OEPOCKDIVZWKIA-UHFFFAOYSA-N 1 1 316.785 2.468 20 5 DEBDMO O=C(CC[N@@H+]1CCCC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000283431334 403197161 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DEBDMO CC(C)[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293218939 403418400 /nfs/dbraw/zinc/41/84/00/403418400.db2.gz RPXHQIDXYWTXCG-HZPDHXFCSA-N 1 1 308.378 2.375 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345708025 403447381 /nfs/dbraw/zinc/44/73/81/403447381.db2.gz DFVZAPYLENMFGU-CHWSQXEVSA-N 1 1 320.393 2.219 20 5 DEBDMO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)CO ZINC000293362200 403452604 /nfs/dbraw/zinc/45/26/04/403452604.db2.gz IKHDUDQSELZEFI-NSHDSACASA-N 1 1 305.334 2.453 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000298941226 403489348 /nfs/dbraw/zinc/48/93/48/403489348.db2.gz BVOWQFRADJNUQN-TXEJJXNPSA-N 1 1 308.382 2.021 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332263599 403533676 /nfs/dbraw/zinc/53/36/76/403533676.db2.gz TZKNWBKDRKCMNP-HNNXBMFYSA-N 1 1 317.393 2.243 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1CO 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WTEJJVXNQYQVTQ-RCOIXESOSA-N 1 1 304.346 2.491 20 5 DEBDMO Cc1cc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)ncc1[N+](=O)[O-] ZINC000301700133 403666432 /nfs/dbraw/zinc/66/64/32/403666432.db2.gz FKJVITJJORBSAJ-ZDUSSCGKSA-N 1 1 315.377 2.491 20 5 DEBDMO CC[C@@]1(C)COCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000340870157 403680517 /nfs/dbraw/zinc/68/05/17/403680517.db2.gz LXDGRVHZABVFBI-INIZCTEOSA-N 1 1 324.377 2.483 20 5 DEBDMO CC[C@@]1(C)COCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000340870157 403680519 /nfs/dbraw/zinc/68/05/19/403680519.db2.gz LXDGRVHZABVFBI-INIZCTEOSA-N 1 1 324.377 2.483 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000343677292 403688457 /nfs/dbraw/zinc/68/84/57/403688457.db2.gz UARJFXVFSCCCBK-OAHLLOKOSA-N 1 1 305.378 2.128 20 5 DEBDMO CC1(C)CCC[N@@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000347430719 403706785 /nfs/dbraw/zinc/70/67/85/403706785.db2.gz AYYYGROAUATULI-UHFFFAOYSA-N 1 1 319.405 2.376 20 5 DEBDMO CN(C(=O)C[NH+]1CCC(CF)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295106347 403761311 /nfs/dbraw/zinc/76/13/11/403761311.db2.gz HTUVEMQUGUEYJM-UHFFFAOYSA-N 1 1 309.341 2.239 20 5 DEBDMO Cc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000305139231 403849239 /nfs/dbraw/zinc/84/92/39/403849239.db2.gz PNMACKXMKRMRRG-AWEZNQCLSA-N 1 1 321.421 2.401 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000295319140 403852901 /nfs/dbraw/zinc/85/29/01/403852901.db2.gz PKUVSBRCMFHODB-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000295319140 403852905 /nfs/dbraw/zinc/85/29/05/403852905.db2.gz PKUVSBRCMFHODB-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+](C2CC2)C1 ZINC000295401739 403903757 /nfs/dbraw/zinc/90/37/57/403903757.db2.gz RNUFXJCSQGYORB-NSHDSACASA-N 1 1 321.352 2.290 20 5 DEBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000305727993 403921688 /nfs/dbraw/zinc/92/16/88/403921688.db2.gz JCHBVKCFCPJJTF-LLVKDONJSA-N 1 1 318.329 2.430 20 5 DEBDMO CC[N@@H+](CCOCCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000337386713 403987891 /nfs/dbraw/zinc/98/78/91/403987891.db2.gz LSJOKIWRKSUZIS-SDNWHVSQSA-N 1 1 308.378 2.329 20 5 DEBDMO COc1ccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000315054842 404006351 /nfs/dbraw/zinc/00/63/51/404006351.db2.gz TXNZSLALQXIBJV-AWEZNQCLSA-N 1 1 307.394 2.423 20 5 DEBDMO COc1ccc(CNC[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000315054844 404006687 /nfs/dbraw/zinc/00/66/87/404006687.db2.gz TXNZSLALQXIBJV-CQSZACIVSA-N 1 1 307.394 2.423 20 5 DEBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290075553 404030299 /nfs/dbraw/zinc/03/02/99/404030299.db2.gz ULWYQWPQIZUHQP-QGZVFWFLSA-N 1 1 321.421 2.260 20 5 DEBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000412118101 404143513 /nfs/dbraw/zinc/14/35/13/404143513.db2.gz ZNKCYZQUKDLCSE-MRXNPFEDSA-N 1 1 322.361 2.379 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000290747533 404295361 /nfs/dbraw/zinc/29/53/61/404295361.db2.gz ADCAIRMEHXLDBY-LBPRGKRZSA-N 1 1 323.393 2.454 20 5 DEBDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000350017992 404296431 /nfs/dbraw/zinc/29/64/31/404296431.db2.gz UPXFVUIUXFKVRZ-CQSZACIVSA-N 1 1 305.378 2.394 20 5 DEBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000370010448 404303010 /nfs/dbraw/zinc/30/30/10/404303010.db2.gz MMKJUPHCFLULQU-CQSZACIVSA-N 1 1 300.362 2.393 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000296989414 404402555 /nfs/dbraw/zinc/40/25/55/404402555.db2.gz YIEWISOZIWMIFR-MRXNPFEDSA-N 1 1 318.377 2.463 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356421846 404512343 /nfs/dbraw/zinc/51/23/43/404512343.db2.gz JHORLTKPIDDHJJ-HZMBPMFUSA-N 1 1 309.341 2.146 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000356608049 404619447 /nfs/dbraw/zinc/61/94/47/404619447.db2.gz ZWEORAIXFZDFPG-LBPRGKRZSA-N 1 1 323.393 2.454 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342612552 404678703 /nfs/dbraw/zinc/67/87/03/404678703.db2.gz YKCAORKWGIKLLM-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000330533225 404681861 /nfs/dbraw/zinc/68/18/61/404681861.db2.gz UDRYPJGLZROVAZ-GFCCVEGCSA-N 1 1 316.361 2.386 20 5 DEBDMO CCNc1ccc(C(=O)N2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000330586163 404693639 /nfs/dbraw/zinc/69/36/39/404693639.db2.gz WJIPAKKVCRBPJE-UHFFFAOYSA-N 1 1 320.393 2.193 20 5 DEBDMO CCNc1ccc(C(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000330586163 404693642 /nfs/dbraw/zinc/69/36/42/404693642.db2.gz WJIPAKKVCRBPJE-UHFFFAOYSA-N 1 1 320.393 2.193 20 5 DEBDMO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000415117960 404811731 /nfs/dbraw/zinc/81/17/31/404811731.db2.gz DMIBAXKNYCCBBI-DOTOQJQBSA-N 1 1 319.405 2.313 20 5 DEBDMO COC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000451201201 404900458 /nfs/dbraw/zinc/90/04/58/404900458.db2.gz LASUIJLKLFMQGA-LRDDRELGSA-N 1 1 321.377 2.280 20 5 DEBDMO CC[C@H](CCO)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353526567 404856613 /nfs/dbraw/zinc/85/66/13/404856613.db2.gz BDRGBMXOJFXAHB-UKRRQHHQSA-N 1 1 318.377 2.168 20 5 DEBDMO C[C@H](CCCO)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353524276 404856805 /nfs/dbraw/zinc/85/68/05/404856805.db2.gz DAMUOMOCAKCJTR-IUODEOHRSA-N 1 1 318.377 2.168 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C)CC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000353537253 404860057 /nfs/dbraw/zinc/86/00/57/404860057.db2.gz WVEJRKOGKVODMF-UHFFFAOYSA-N 1 1 321.377 2.079 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000360995839 404872136 /nfs/dbraw/zinc/87/21/36/404872136.db2.gz PZEWCEFABBETFF-ZDUSSCGKSA-N 1 1 309.414 2.430 20 5 DEBDMO C[N@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000435236913 404963380 /nfs/dbraw/zinc/96/33/80/404963380.db2.gz VJRDZPMFMXMGKC-UHFFFAOYSA-N 1 1 315.320 2.334 20 5 DEBDMO C[C@H](O)C[C@H](C)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353686310 404919354 /nfs/dbraw/zinc/91/93/54/404919354.db2.gz WYUFORWKLKFJEC-HUBLWGQQSA-N 1 1 318.377 2.167 20 5 DEBDMO C[C@H](O)C[C@H](C)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353686311 404919910 /nfs/dbraw/zinc/91/99/10/404919910.db2.gz WYUFORWKLKFJEC-SLEUVZQESA-N 1 1 318.377 2.167 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000424111907 405009760 /nfs/dbraw/zinc/00/97/60/405009760.db2.gz IHKFMYWXVMVKSG-SMDDNHRTSA-N 1 1 304.350 2.153 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000408219887 405142512 /nfs/dbraw/zinc/14/25/12/405142512.db2.gz RBVYQWYIODNDJZ-XQQFMLRXSA-N 1 1 305.382 2.226 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(=O)n1CC[N@H+](C)Cc1ccccc1 ZINC000418960343 405215877 /nfs/dbraw/zinc/21/58/77/405215877.db2.gz ISFCXMBFOQIMMK-UHFFFAOYSA-N 1 1 301.346 2.197 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452111221 405174016 /nfs/dbraw/zinc/17/40/16/405174016.db2.gz SUEOIYZKTYUXKK-KGLIPLIRSA-N 1 1 306.362 2.460 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452111221 405174018 /nfs/dbraw/zinc/17/40/18/405174018.db2.gz SUEOIYZKTYUXKK-KGLIPLIRSA-N 1 1 306.362 2.460 20 5 DEBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000419371753 405245358 /nfs/dbraw/zinc/24/53/58/405245358.db2.gz LIHLGWSTHCEOPK-RFGFWPKPSA-N 1 1 308.378 2.311 20 5 DEBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438819147 405255563 /nfs/dbraw/zinc/25/55/63/405255563.db2.gz LPUQDRQACBYICR-AEGPPILISA-N 1 1 310.398 2.053 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)n1 ZINC000425556676 405302765 /nfs/dbraw/zinc/30/27/65/405302765.db2.gz VGVRWBMDJSOXJZ-HNNXBMFYSA-N 1 1 320.393 2.072 20 5 DEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+]1C1CC1 ZINC000427187538 405394113 /nfs/dbraw/zinc/39/41/13/405394113.db2.gz RKDJQTKWLBPHLZ-CQSZACIVSA-N 1 1 323.780 2.491 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000421021595 405432420 /nfs/dbraw/zinc/43/24/20/405432420.db2.gz SXGAILQZSQPHAR-CQSZACIVSA-N 1 1 308.378 2.458 20 5 DEBDMO C[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000429571387 405438220 /nfs/dbraw/zinc/43/82/20/405438220.db2.gz RBYBMPGXKVQATL-MGPQQGTHSA-N 1 1 308.378 2.455 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000421360150 405471725 /nfs/dbraw/zinc/47/17/25/405471725.db2.gz IFULULQUBSNJPK-UDYBNVKDSA-N 1 1 320.389 2.470 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000421360150 405471735 /nfs/dbraw/zinc/47/17/35/405471735.db2.gz IFULULQUBSNJPK-UDYBNVKDSA-N 1 1 320.389 2.470 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457078068 405682687 /nfs/dbraw/zinc/68/26/87/405682687.db2.gz AOTAGASPOGRPHA-ZDUSSCGKSA-N 1 1 305.378 2.458 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000457106175 405701176 /nfs/dbraw/zinc/70/11/76/405701176.db2.gz DAXOYNSIEGAOMX-ZDUSSCGKSA-N 1 1 305.378 2.458 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000457107931 405703958 /nfs/dbraw/zinc/70/39/58/405703958.db2.gz FOIBLZQNRWRSBY-OAHLLOKOSA-N 1 1 305.378 2.078 20 5 DEBDMO Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457136270 405719413 /nfs/dbraw/zinc/71/94/13/405719413.db2.gz WTSOCQZQZODWRB-CYBMUJFWSA-N 1 1 305.378 2.458 20 5 DEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[N@@H+](C)CC1 ZINC000450210344 405779055 /nfs/dbraw/zinc/77/90/55/405779055.db2.gz GNRHSAAVHYODOD-UHFFFAOYSA-N 1 1 316.361 2.294 20 5 DEBDMO Cc1c(CC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000533040307 406116273 /nfs/dbraw/zinc/11/62/73/406116273.db2.gz TXMAYOYCFXOQJE-CQSZACIVSA-N 1 1 319.405 2.292 20 5 DEBDMO CCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000534336876 406185047 /nfs/dbraw/zinc/18/50/47/406185047.db2.gz TZXWPVFWUSGWBK-UHFFFAOYSA-N 1 1 316.361 2.467 20 5 DEBDMO CSc1cccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000486954050 406192618 /nfs/dbraw/zinc/19/26/18/406192618.db2.gz HVNBXCJUXAAMGY-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1cccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000486954050 406192624 /nfs/dbraw/zinc/19/26/24/406192624.db2.gz HVNBXCJUXAAMGY-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO C[N@H+]1CC[C@@H](C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000536552280 406264688 /nfs/dbraw/zinc/26/46/88/406264688.db2.gz PZLWZRDDHPGMPJ-IUODEOHRSA-N 1 1 321.402 2.121 20 5 DEBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H](C)C1 ZINC000488717605 406340563 /nfs/dbraw/zinc/34/05/63/406340563.db2.gz FAZRINLMFNXNIT-UHIISALHSA-N 1 1 322.384 2.483 20 5 DEBDMO Cc1nn(C)c(N2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000522106685 406390674 /nfs/dbraw/zinc/39/06/74/406390674.db2.gz KBBUUEGIHNDULW-UHFFFAOYSA-N 1 1 309.414 2.193 20 5 DEBDMO CC(=O)c1ccc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489932900 406440178 /nfs/dbraw/zinc/44/01/78/406440178.db2.gz GIJJKWRYKRLAEJ-LBPRGKRZSA-N 1 1 300.318 2.421 20 5 DEBDMO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000491318455 406567653 /nfs/dbraw/zinc/56/76/53/406567653.db2.gz DPSHVWKQKSGBSK-QHHAFSJGSA-N 1 1 319.336 2.054 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491829030 406739858 /nfs/dbraw/zinc/73/98/58/406739858.db2.gz WRNAYQCGRZWARK-DMTLFAOVSA-N 1 1 303.362 2.161 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000491917298 406777920 /nfs/dbraw/zinc/77/79/20/406777920.db2.gz YECBVIPGEQXGDJ-GFUIURDCSA-N 1 1 303.362 2.066 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491940677 406784641 /nfs/dbraw/zinc/78/46/41/406784641.db2.gz RBSPHOIRKZWNNK-LLPBQKLSSA-N 1 1 303.362 2.066 20 5 DEBDMO Cc1cncc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000189954465 225070568 /nfs/dbraw/zinc/07/05/68/225070568.db2.gz ZELOYOMKHNAEKB-CQSZACIVSA-N 1 1 313.361 2.380 20 5 DEBDMO COc1cccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000195426595 225205346 /nfs/dbraw/zinc/20/53/46/225205346.db2.gz WJMRGFOWBZWJJQ-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO O=C1CC[C@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1 ZINC000296810359 226236990 /nfs/dbraw/zinc/23/69/90/226236990.db2.gz QAIFFHTYHGLMMN-ZDUSSCGKSA-N 1 1 317.389 2.476 20 5 DEBDMO CC[N@@H+](C[C@@H](C)OC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000291159514 222182884 /nfs/dbraw/zinc/18/28/84/222182884.db2.gz FQSBAVJVCGMEGW-VXGBXAGGSA-N 1 1 309.366 2.279 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000299341883 229062230 /nfs/dbraw/zinc/06/22/30/229062230.db2.gz JWSXPMZCAFUGDF-UHFFFAOYSA-N 1 1 306.297 2.059 20 5 DEBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000563898394 424900793 /nfs/dbraw/zinc/90/07/93/424900793.db2.gz IDXVCRSWOCHGTH-ZDUSSCGKSA-N 1 1 322.409 2.921 20 5 DEBDMO CC(C)Oc1nc(N[C@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000580785109 424970276 /nfs/dbraw/zinc/97/02/76/424970276.db2.gz OPWIQXHJPFVTPK-GFCCVEGCSA-N 1 1 320.393 2.839 20 5 DEBDMO CC(C)Oc1nc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000594546388 425012308 /nfs/dbraw/zinc/01/23/08/425012308.db2.gz JWXYBFMKKRTJDD-QWHCGFSZSA-N 1 1 320.393 2.816 20 5 DEBDMO C[NH+]1CCC(CCO)(NC/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000351502504 425038129 /nfs/dbraw/zinc/03/81/29/425038129.db2.gz LXHOJVOXTKMLEA-XQRVVYSFSA-N 1 1 319.405 2.044 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088349738 267398469 /nfs/dbraw/zinc/39/84/69/267398469.db2.gz QQANRFAKQXZQEF-MRXNPFEDSA-N 1 1 317.389 2.354 20 5 DEBDMO CO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363683071 269069704 /nfs/dbraw/zinc/06/97/04/269069704.db2.gz BSNRFGCAHYKYOU-QWHCGFSZSA-N 1 1 321.377 2.423 20 5 DEBDMO CO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363683071 269069706 /nfs/dbraw/zinc/06/97/06/269069706.db2.gz BSNRFGCAHYKYOU-QWHCGFSZSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429936008 269122211 /nfs/dbraw/zinc/12/22/11/269122211.db2.gz KEEFKQGBLRSJOM-CYBMUJFWSA-N 1 1 319.405 2.473 20 5 DEBDMO COCCOC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430227604 269127009 /nfs/dbraw/zinc/12/70/09/269127009.db2.gz ROSMZDAVLQJHGL-ZDUSSCGKSA-N 1 1 324.377 2.088 20 5 DEBDMO C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000517065162 269375883 /nfs/dbraw/zinc/37/58/83/269375883.db2.gz PLDNFFJMTLHHBS-ZENOOKHLSA-N 1 1 317.389 2.251 20 5 DEBDMO CC(C)C(=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000290525164 273508575 /nfs/dbraw/zinc/50/85/75/273508575.db2.gz ZCTZJMINYNUARB-UHFFFAOYSA-N 1 1 305.378 2.332 20 5 DEBDMO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000353699303 276052463 /nfs/dbraw/zinc/05/24/63/276052463.db2.gz RJZRMYPYADJWCA-CQSZACIVSA-N 1 1 305.378 2.381 20 5 DEBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000353699303 276052464 /nfs/dbraw/zinc/05/24/64/276052464.db2.gz RJZRMYPYADJWCA-CQSZACIVSA-N 1 1 305.378 2.381 20 5 DEBDMO C[N@@H+]1CC[C@@](O)(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417344184 277159155 /nfs/dbraw/zinc/15/91/55/277159155.db2.gz PQQAQCNOHAKLOE-IAGOWNOFSA-N 1 1 319.405 2.019 20 5 DEBDMO C[N@H+]1CC[C@@](O)(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417344184 277159156 /nfs/dbraw/zinc/15/91/56/277159156.db2.gz PQQAQCNOHAKLOE-IAGOWNOFSA-N 1 1 319.405 2.019 20 5 DEBDMO COCC(C)(C)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000426399557 277196568 /nfs/dbraw/zinc/19/65/68/277196568.db2.gz AMWWXQKXCNNKSM-GFCCVEGCSA-N 1 1 308.382 2.149 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC000362816903 278175440 /nfs/dbraw/zinc/17/54/40/278175440.db2.gz GNNWUAJYKOBIHQ-UHFFFAOYSA-N 1 1 323.418 2.483 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC000362816903 278175441 /nfs/dbraw/zinc/17/54/41/278175441.db2.gz GNNWUAJYKOBIHQ-UHFFFAOYSA-N 1 1 323.418 2.483 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000245721438 278259458 /nfs/dbraw/zinc/25/94/58/278259458.db2.gz OTWNESZDVWKJTC-RYUDHWBXSA-N 1 1 320.393 2.027 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000286433635 280661936 /nfs/dbraw/zinc/66/19/36/280661936.db2.gz RZYNUWAIFDSLDO-HIFRSBDPSA-N 1 1 305.378 2.203 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286433634 280662273 /nfs/dbraw/zinc/66/22/73/280662273.db2.gz RZYNUWAIFDSLDO-DZGCQCFKSA-N 1 1 305.378 2.203 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001350138798 1151327345 /nfs/dbraw/zinc/32/73/45/1151327345.db2.gz QDOCLNIYYXKKNQ-CQSZACIVSA-N 1 1 320.393 2.223 20 5 DEBDMO Cc1c(NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000576590796 326304693 /nfs/dbraw/zinc/30/46/93/326304693.db2.gz BWIUUDQAPSJQIT-RISCZKNCSA-N 1 1 304.350 2.071 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000577276347 326354391 /nfs/dbraw/zinc/35/43/91/326354391.db2.gz MNFVDJREKMMNSG-LBPRGKRZSA-N 1 1 311.357 2.269 20 5 DEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000302533249 533917710 /nfs/dbraw/zinc/91/77/10/533917710.db2.gz LXDLRLLOGIMULL-NSHDSACASA-N 1 1 311.357 2.015 20 5 DEBDMO CCOCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157518095 519910940 /nfs/dbraw/zinc/91/09/40/519910940.db2.gz JXJBKRQETNTRRW-LBPRGKRZSA-N 1 1 309.366 2.280 20 5 DEBDMO CCOCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157518095 519910944 /nfs/dbraw/zinc/91/09/44/519910944.db2.gz JXJBKRQETNTRRW-LBPRGKRZSA-N 1 1 309.366 2.280 20 5 DEBDMO CCOCCO[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000157774005 520033133 /nfs/dbraw/zinc/03/31/33/520033133.db2.gz NFWTWKHRSOVEKK-INIZCTEOSA-N 1 1 308.378 2.265 20 5 DEBDMO CCNC(=O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000339314089 521746713 /nfs/dbraw/zinc/74/67/13/521746713.db2.gz CUWCTIRBPJIFQD-CYBMUJFWSA-N 1 1 313.785 2.499 20 5 DEBDMO C[NH+](C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000152304794 522075209 /nfs/dbraw/zinc/07/52/09/522075209.db2.gz LHYDVPKMUYXQQS-CQSZACIVSA-N 1 1 317.345 2.149 20 5 DEBDMO C[N@@H+](CCOc1ccc(Cl)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000157384667 522906985 /nfs/dbraw/zinc/90/69/85/522906985.db2.gz ZBTKAIJKBSLGAO-UHFFFAOYSA-N 1 1 324.768 2.456 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000338165838 524955174 /nfs/dbraw/zinc/95/51/74/524955174.db2.gz JOUPJAXDTGFFQC-WFASDCNBSA-N 1 1 324.377 2.075 20 5 DEBDMO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337087922 526759987 /nfs/dbraw/zinc/75/99/87/526759987.db2.gz GPWYCYRIPLQTRN-UONOGXRCSA-N 1 1 318.377 2.021 20 5 DEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249748924 527314838 /nfs/dbraw/zinc/31/48/38/527314838.db2.gz PDDUHQCFKXZUNE-NEPJUHHUSA-N 1 1 320.393 2.148 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000366004671 527491053 /nfs/dbraw/zinc/49/10/53/527491053.db2.gz FQIZATZNGFZXBK-MRXNPFEDSA-N 1 1 300.362 2.492 20 5 DEBDMO CC(C)[C@@]1(CO)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000292985051 528894228 /nfs/dbraw/zinc/89/42/28/528894228.db2.gz HQUPKCNLKFYBRA-IRXDYDNUSA-N 1 1 322.405 2.359 20 5 DEBDMO CC[NH+]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000330838540 529131430 /nfs/dbraw/zinc/13/14/30/529131430.db2.gz INKGMWJHTIVNPD-NSHDSACASA-N 1 1 309.341 2.002 20 5 DEBDMO CCCC1CCC([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000191425616 534924938 /nfs/dbraw/zinc/92/49/38/534924938.db2.gz FHZCFJATQWFXNV-XUJLQICISA-N 1 1 324.425 2.443 20 5 DEBDMO CC1CC[NH+](CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000355387385 535279699 /nfs/dbraw/zinc/27/96/99/535279699.db2.gz XUESFFSHZKBGRV-UHFFFAOYSA-N 1 1 321.377 2.152 20 5 DEBDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451577656 536683823 /nfs/dbraw/zinc/68/38/23/536683823.db2.gz VVQHTRXNDKBDHI-GXTWGEPZSA-N 1 1 321.377 2.199 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451577656 536683829 /nfs/dbraw/zinc/68/38/29/536683829.db2.gz VVQHTRXNDKBDHI-GXTWGEPZSA-N 1 1 321.377 2.199 20 5 DEBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000373306794 536841359 /nfs/dbraw/zinc/84/13/59/536841359.db2.gz VXNYNWGEKDMEST-BBRMVZONSA-N 1 1 304.346 2.370 20 5 DEBDMO O=C(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])NC1CCCC1 ZINC000892884182 625691100 /nfs/dbraw/zinc/69/11/00/625691100.db2.gz WFPLPTZAJSSIBO-UHFFFAOYSA-N 1 1 311.769 2.397 20 5 DEBDMO C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)C[N@H+]1Cc1ccccc1 ZINC000892899010 625697106 /nfs/dbraw/zinc/69/71/06/625697106.db2.gz IDDREEBTFKVYBE-OCCSQVGLSA-N 1 1 315.377 2.403 20 5 DEBDMO COc1c(O)ccc(C[NH2+]Cc2scnc2C)c1[N+](=O)[O-] ZINC000892919089 625715800 /nfs/dbraw/zinc/71/58/00/625715800.db2.gz KGWPOQISINEFIJ-UHFFFAOYSA-N 1 1 309.347 2.364 20 5 DEBDMO C[C@H](CNc1c([N+](=O)[O-])cnn1C)[N@@H+]1CCc2sccc2C1 ZINC000891751998 624577233 /nfs/dbraw/zinc/57/72/33/624577233.db2.gz CVKQZRQCBMQOPG-SNVBAGLBSA-N 1 1 321.406 2.249 20 5 DEBDMO C[C@H](CNc1c([N+](=O)[O-])cnn1C)[N@H+]1CCc2sccc2C1 ZINC000891751998 624577257 /nfs/dbraw/zinc/57/72/57/624577257.db2.gz CVKQZRQCBMQOPG-SNVBAGLBSA-N 1 1 321.406 2.249 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836547859 650103935 /nfs/dbraw/zinc/10/39/35/650103935.db2.gz NBHXIXOOFNLNPP-UHFFFAOYSA-N 1 1 322.752 2.492 20 5 DEBDMO O=C(CC1CC1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980604883 635056780 /nfs/dbraw/zinc/05/67/80/635056780.db2.gz IYFWDDMFICKJIP-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO O=C(CC1CC1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980604883 635056788 /nfs/dbraw/zinc/05/67/88/635056788.db2.gz IYFWDDMFICKJIP-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO CC(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000982177190 635896440 /nfs/dbraw/zinc/89/64/40/635896440.db2.gz IDSJSUZCEVGHNP-CALCHBBNSA-N 1 1 317.389 2.285 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000893900162 636058130 /nfs/dbraw/zinc/05/81/30/636058130.db2.gz LYSYLYJDRFPKOT-GWCFXTLKSA-N 1 1 310.350 2.166 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000893900162 636058134 /nfs/dbraw/zinc/05/81/34/636058134.db2.gz LYSYLYJDRFPKOT-GWCFXTLKSA-N 1 1 310.350 2.166 20 5 DEBDMO CCn1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CCCC[N@H+]2C(C)C)n1 ZINC000837666649 650243137 /nfs/dbraw/zinc/24/31/37/650243137.db2.gz VDNUCXSBHWZLOF-GFCCVEGCSA-N 1 1 324.381 2.231 20 5 DEBDMO O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1CC[NH+](C2CC2)CC1 ZINC000837710732 650253846 /nfs/dbraw/zinc/25/38/46/650253846.db2.gz DWFGDIZYNMVNKT-UHFFFAOYSA-N 1 1 320.345 2.218 20 5 DEBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000923336425 637122315 /nfs/dbraw/zinc/12/23/15/637122315.db2.gz SDYXGGVSYDDSIJ-HOCLYGCPSA-N 1 1 307.394 2.092 20 5 DEBDMO CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000923336425 637122320 /nfs/dbraw/zinc/12/23/20/637122320.db2.gz SDYXGGVSYDDSIJ-HOCLYGCPSA-N 1 1 307.394 2.092 20 5 DEBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000923336424 637122442 /nfs/dbraw/zinc/12/24/42/637122442.db2.gz SDYXGGVSYDDSIJ-GOEBONIOSA-N 1 1 307.394 2.092 20 5 DEBDMO CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000923336424 637122445 /nfs/dbraw/zinc/12/24/45/637122445.db2.gz SDYXGGVSYDDSIJ-GOEBONIOSA-N 1 1 307.394 2.092 20 5 DEBDMO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000923450265 637188159 /nfs/dbraw/zinc/18/81/59/637188159.db2.gz TYCYDMSCNWKIFO-AWEZNQCLSA-N 1 1 323.368 2.064 20 5 DEBDMO C[N@H+]1C[C@@]2(C)CN(c3nc4sccn4c3[N+](=O)[O-])C[C@@]2(C)C1 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CCc1ccc(C(=O)OCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000750893651 639040879 /nfs/dbraw/zinc/04/08/79/639040879.db2.gz CHPRAFHDVVHVBF-UHFFFAOYSA-N 1 1 322.361 2.036 20 5 DEBDMO COc1cc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])cc1C ZINC000896913173 639069370 /nfs/dbraw/zinc/06/93/70/639069370.db2.gz NTHFFTXUPYINFM-BLLLJJGKSA-N 1 1 305.378 2.300 20 5 DEBDMO COCCC[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899758 639628483 /nfs/dbraw/zinc/62/84/83/639628483.db2.gz PHWIIQYXRLXUJL-UHFFFAOYSA-N 1 1 304.350 2.384 20 5 DEBDMO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)[nH]1 ZINC000839658350 639781161 /nfs/dbraw/zinc/78/11/61/639781161.db2.gz FCLSZBUOSGQZEX-NSHDSACASA-N 1 1 305.313 2.150 20 5 DEBDMO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839723935 639825592 /nfs/dbraw/zinc/82/55/92/639825592.db2.gz XXPJEJFCDRSBRI-HUUCEWRRSA-N 1 1 311.426 2.012 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000758453313 639961861 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309.341 2.289 20 5 DEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000765937673 640831023 /nfs/dbraw/zinc/83/10/23/640831023.db2.gz VIMVTEOPVKADID-QWRGUYRKSA-N 1 1 309.341 2.289 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000765937673 640831028 /nfs/dbraw/zinc/83/10/28/640831028.db2.gz VIMVTEOPVKADID-QWRGUYRKSA-N 1 1 309.341 2.289 20 5 DEBDMO COc1cc(C(=O)OCCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000767615063 641000968 /nfs/dbraw/zinc/00/09/68/641000968.db2.gz FWNFOEMZJKNXOZ-UHFFFAOYSA-N 1 1 319.317 2.355 20 5 DEBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000767664963 641008065 /nfs/dbraw/zinc/00/80/65/641008065.db2.gz IBZHTKGZERCLFU-UHFFFAOYSA-N 1 1 322.296 2.068 20 5 DEBDMO COC[C@H]1CCCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000767947465 641034985 /nfs/dbraw/zinc/03/49/85/641034985.db2.gz IIKLHLQLEILXTI-BBRMVZONSA-N 1 1 308.378 2.377 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000769142633 641183571 /nfs/dbraw/zinc/18/35/71/641183571.db2.gz YNFOOEWALXSFRQ-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000769142633 641183577 /nfs/dbraw/zinc/18/35/77/641183577.db2.gz YNFOOEWALXSFRQ-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000771397592 641505194 /nfs/dbraw/zinc/50/51/94/641505194.db2.gz RXAORYCBLRFOBE-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000771397592 641505198 /nfs/dbraw/zinc/50/51/98/641505198.db2.gz RXAORYCBLRFOBE-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842369620 650719776 /nfs/dbraw/zinc/71/97/76/650719776.db2.gz LGYSMTMXVJGFBO-LCGIIJARSA-N 1 1 318.373 2.105 20 5 DEBDMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842369620 650719780 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1 1 322.361 2.046 20 5 DEBDMO C[N@@H+](CCc1nccs1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593317 642190035 /nfs/dbraw/zinc/19/00/35/642190035.db2.gz GWIQOFMRVONWRD-CYBMUJFWSA-N 1 1 307.375 2.259 20 5 DEBDMO CC[NH+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000899907855 642208937 /nfs/dbraw/zinc/20/89/37/642208937.db2.gz NTZZRNGHMYBZQN-UHFFFAOYSA-N 1 1 315.732 2.165 20 5 DEBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@]13CC[N@@H+](C1)CCC3)CC2 ZINC000901316837 642631648 /nfs/dbraw/zinc/63/16/48/642631648.db2.gz FDHLGLTUAAPIHP-KRWDZBQOSA-N 1 1 315.373 2.278 20 5 DEBDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000902636875 643093696 /nfs/dbraw/zinc/09/36/96/643093696.db2.gz GUUFUDQWNFALBJ-HIFRSBDPSA-N 1 1 304.350 2.320 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903027824 643231093 /nfs/dbraw/zinc/23/10/93/643231093.db2.gz FXOIOJUMIVSHDW-ZDUSSCGKSA-N 1 1 317.324 2.210 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903027824 643231097 /nfs/dbraw/zinc/23/10/97/643231097.db2.gz FXOIOJUMIVSHDW-ZDUSSCGKSA-N 1 1 317.324 2.210 20 5 DEBDMO COc1cc(CN2CC[C@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000904411235 643661907 /nfs/dbraw/zinc/66/19/07/643661907.db2.gz KFYTXYHGWZXHRH-NWDGAFQWSA-N 1 1 323.393 2.029 20 5 DEBDMO CC(C)(C)[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000790426525 643850872 /nfs/dbraw/zinc/85/08/72/643850872.db2.gz JOQSTRPISZMYJP-LSDHHAIUSA-N 1 1 308.378 2.375 20 5 DEBDMO CC(C)(C)[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000790426525 643850876 /nfs/dbraw/zinc/85/08/76/643850876.db2.gz JOQSTRPISZMYJP-LSDHHAIUSA-N 1 1 308.378 2.375 20 5 DEBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000790431214 643851875 /nfs/dbraw/zinc/85/18/75/643851875.db2.gz NZTSMTXQXAKERW-VBNZEHGJSA-N 1 1 308.378 2.254 20 5 DEBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000790431212 643852139 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C[N@@H+](CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CCCC1 ZINC000865178820 686960168 /nfs/dbraw/zinc/96/01/68/686960168.db2.gz GRMKRUAIWYLPMG-UHFFFAOYSA-N 1 1 323.368 2.267 20 5 DEBDMO CCc1[nH+]c(C)cn1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000865392511 687196271 /nfs/dbraw/zinc/19/62/71/687196271.db2.gz KXGMRSPNDXRHLT-UHFFFAOYSA-N 1 1 314.345 2.251 20 5 DEBDMO O=[N+]([O-])c1cc(CO)c(N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1F ZINC000865445392 687214578 /nfs/dbraw/zinc/21/45/78/687214578.db2.gz MEWPKDHQZCTEDF-GXTWGEPZSA-N 1 1 309.341 2.265 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)CC[C@H]21 ZINC000865618064 687279407 /nfs/dbraw/zinc/27/94/07/687279407.db2.gz SEHCNPHLTXDYNI-BXUZGUMPSA-N 1 1 323.368 2.147 20 5 DEBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CC[N@H+]1CCO ZINC000865689377 687303177 /nfs/dbraw/zinc/30/31/77/687303177.db2.gz FIBBHQFFFRHZGE-SNVBAGLBSA-N 1 1 315.320 2.035 20 5 DEBDMO C[C@@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1O ZINC000930162129 694103072 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DEBDMO Cc1cc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc([N+](=O)[O-])c1 ZINC000871153917 688736390 /nfs/dbraw/zinc/73/63/90/688736390.db2.gz WLYLYZBDYFMSFY-UHFFFAOYSA-N 1 1 305.378 2.460 20 5 DEBDMO C[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000871155602 688737784 /nfs/dbraw/zinc/73/77/84/688737784.db2.gz UWXMWYGUBOYWTK-UHFFFAOYSA-N 1 1 305.378 2.080 20 5 DEBDMO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085591 688924915 /nfs/dbraw/zinc/92/49/15/688924915.db2.gz PUVBTYVRVINPBM-GXSJLCMTSA-N 1 1 323.324 2.368 20 5 DEBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccco1 ZINC001031510438 688933714 /nfs/dbraw/zinc/93/37/14/688933714.db2.gz UOCNEYMXMKWJME-UHFFFAOYSA-N 1 1 315.329 2.050 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000930861753 694257922 /nfs/dbraw/zinc/25/79/22/694257922.db2.gz GCFQLTBDBYSDRV-VXGBXAGGSA-N 1 1 306.366 2.426 20 5 DEBDMO COCC[N@@H+](C)CCCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873012930 689140701 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ZINC000879229599 690597106 /nfs/dbraw/zinc/59/71/06/690597106.db2.gz ZTFXSLHNIPQTIA-DOMZBBRYSA-N 1 1 318.377 2.461 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879229600 690597298 /nfs/dbraw/zinc/59/72/98/690597298.db2.gz ZTFXSLHNIPQTIA-IUODEOHRSA-N 1 1 318.377 2.461 20 5 DEBDMO CO[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000879323720 690620145 /nfs/dbraw/zinc/62/01/45/690620145.db2.gz VMRUBASPXOGBBV-TZMCWYRMSA-N 1 1 321.377 2.341 20 5 DEBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000879323720 690620146 /nfs/dbraw/zinc/62/01/46/690620146.db2.gz VMRUBASPXOGBBV-TZMCWYRMSA-N 1 1 321.377 2.341 20 5 DEBDMO O=C(C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000879558529 690670605 /nfs/dbraw/zinc/67/06/05/690670605.db2.gz KBOWZAKRDZLPPK-NEPJUHHUSA-N 1 1 321.402 2.218 20 5 DEBDMO O=C(C[N@H+]1CC[C@@H]2CSC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000879558529 690670610 /nfs/dbraw/zinc/67/06/10/690670610.db2.gz 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CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000882490463 691295401 /nfs/dbraw/zinc/29/54/01/691295401.db2.gz PPMKKSBSUHZIJQ-JQWIXIFHSA-N 1 1 309.341 2.048 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000882494887 691297482 /nfs/dbraw/zinc/29/74/82/691297482.db2.gz OUUGNYYSXWZECM-KUGGDMIFSA-N 1 1 303.362 2.209 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000883496970 691524927 /nfs/dbraw/zinc/52/49/27/691524927.db2.gz GVXOZMZCUVQCJN-TZMCWYRMSA-N 1 1 320.393 2.358 20 5 DEBDMO COCCCOC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886018562 691984887 /nfs/dbraw/zinc/98/48/87/691984887.db2.gz CGLIQHXXGJPCOU-UHFFFAOYSA-N 1 1 309.366 2.007 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000886179496 692018342 /nfs/dbraw/zinc/01/83/42/692018342.db2.gz WTAJFHPXJRPURG-CQSZACIVSA-N 1 1 300.318 2.038 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000886179496 692018344 /nfs/dbraw/zinc/01/83/44/692018344.db2.gz WTAJFHPXJRPURG-CQSZACIVSA-N 1 1 300.318 2.038 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000886202914 692023484 /nfs/dbraw/zinc/02/34/84/692023484.db2.gz HVKBCKSMKJOBKM-GFCCVEGCSA-N 1 1 319.283 2.269 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000886202914 692023486 /nfs/dbraw/zinc/02/34/86/692023486.db2.gz HVKBCKSMKJOBKM-GFCCVEGCSA-N 1 1 319.283 2.269 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886561752 692110531 /nfs/dbraw/zinc/11/05/31/692110531.db2.gz HXDUFOROFDIMAO-UTUOFQBUSA-N 1 1 321.402 2.217 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886633402 692141465 /nfs/dbraw/zinc/14/14/65/692141465.db2.gz VBNQGZGTONGUSA-HZPDHXFCSA-N 1 1 306.362 2.340 20 5 DEBDMO CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048646170 692666291 /nfs/dbraw/zinc/66/62/91/692666291.db2.gz IGDJJCVRLDVJHV-BETUJISGSA-N 1 1 323.418 2.347 20 5 DEBDMO CCCC(=O)N1C[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048646170 692666295 /nfs/dbraw/zinc/66/62/95/692666295.db2.gz IGDJJCVRLDVJHV-BETUJISGSA-N 1 1 323.418 2.347 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000932312727 694590747 /nfs/dbraw/zinc/59/07/47/694590747.db2.gz XWZPLYDWXVCYPK-LBPRGKRZSA-N 1 1 323.368 2.125 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001334421048 1150302360 /nfs/dbraw/zinc/30/23/60/1150302360.db2.gz FHAWMGVQYUEMRO-HNNXBMFYSA-N 1 1 317.389 2.352 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC001348565744 1151170596 /nfs/dbraw/zinc/17/05/96/1151170596.db2.gz SIDCPYQWRZCIIC-DLOVCJGASA-N 1 1 301.350 2.223 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001472449861 1151875198 /nfs/dbraw/zinc/87/51/98/1151875198.db2.gz CVXSDAUNEOKTLC-OWCLPIDISA-N 1 1 317.389 2.251 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC001545820656 1175322694 /nfs/dbraw/zinc/32/26/94/1175322694.db2.gz DZVMVBXCHBPBOY-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC001545820656 1175322698 /nfs/dbraw/zinc/32/26/98/1175322698.db2.gz DZVMVBXCHBPBOY-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1C ZINC001332758425 1149888936 /nfs/dbraw/zinc/88/89/36/1149888936.db2.gz XNTKTDLLQDOAHL-FZMZJTMJSA-N 1 1 317.389 2.424 20 5 DEBDMO COC(=O)c1cc(NCc2ccc(N)[nH+]c2C)cc([N+](=O)[O-])c1 ZINC001167786995 778576301 /nfs/dbraw/zinc/57/63/01/778576301.db2.gz OKAFREXSPNZWHM-UHFFFAOYSA-N 1 1 316.317 2.279 20 5 DEBDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011412 785003764 /nfs/dbraw/zinc/00/37/64/785003764.db2.gz KEIMQIJRZNVQFD-CHWSQXEVSA-N 1 1 315.414 2.278 20 5 DEBDMO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034956 785011414 /nfs/dbraw/zinc/01/14/14/785011414.db2.gz IVHHCXJWCSXSBF-WQVCFCJDSA-N 1 1 318.373 2.032 20 5 DEBDMO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034956 785011421 /nfs/dbraw/zinc/01/14/21/785011421.db2.gz IVHHCXJWCSXSBF-WQVCFCJDSA-N 1 1 318.373 2.032 20 5 DEBDMO COC(=O)C[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035634 785012010 /nfs/dbraw/zinc/01/20/10/785012010.db2.gz KXOLBMDCSPJCHJ-LSDHHAIUSA-N 1 1 306.362 2.107 20 5 DEBDMO COC(=O)C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035634 785012013 /nfs/dbraw/zinc/01/20/13/785012013.db2.gz KXOLBMDCSPJCHJ-LSDHHAIUSA-N 1 1 306.362 2.107 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[NH+](CCc3cccs3)CC2)C1 ZINC001169026095 785020628 /nfs/dbraw/zinc/02/06/28/785020628.db2.gz KNFPCIRVNBSJKT-HUUCEWRRSA-N 1 1 323.462 2.354 20 5 DEBDMO Cc1cnc(O[C@@H]2CCC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054879 785024671 /nfs/dbraw/zinc/02/46/71/785024671.db2.gz NYYYVUGMOQYPKP-SOUVJXGZSA-N 1 1 320.393 2.074 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+](C2CC2)C2COC2)c([N+](=O)[O-])c1 ZINC001170353176 786916604 /nfs/dbraw/zinc/91/66/04/786916604.db2.gz XGGYUXRLEAMXRS-LLVKDONJSA-N 1 1 306.362 2.398 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+](C2CC2)C2COC2)c([N+](=O)[O-])c1 ZINC001170353176 786916614 /nfs/dbraw/zinc/91/66/14/786916614.db2.gz XGGYUXRLEAMXRS-LLVKDONJSA-N 1 1 306.362 2.398 20 5 DEBDMO COc1ccc(C[C@@H](C)N2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170352885 786917709 /nfs/dbraw/zinc/91/77/09/786917709.db2.gz SYCAKOQMBITXTM-CHWSQXEVSA-N 1 1 307.394 2.170 20 5 DEBDMO CC(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001072486031 790156904 /nfs/dbraw/zinc/15/69/04/790156904.db2.gz QDPUJVOASKASOS-UHFFFAOYSA-N 1 1 317.389 2.285 20 5 DEBDMO CC(=O)OC1C[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172917600 793531622 /nfs/dbraw/zinc/53/16/22/793531622.db2.gz VYRVAUVNCZTLIZ-AWEZNQCLSA-N 1 1 304.346 2.090 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@](F)(CO)C1)CC2 ZINC001172909471 793542150 /nfs/dbraw/zinc/54/21/50/793542150.db2.gz SADVHJQBMGHLJZ-GDBMZVCRSA-N 1 1 308.353 2.249 20 5 DEBDMO COC[C@H]1COCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912697 793544955 /nfs/dbraw/zinc/54/49/55/793544955.db2.gz LIWPVROSLBNRDU-WBVHZDCISA-N 1 1 320.389 2.189 20 5 DEBDMO COC[C@]12COC[C@H]1C[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173223720 793640601 /nfs/dbraw/zinc/64/06/01/793640601.db2.gz CDBVGAGVDFWPBB-YSVLISHTSA-N 1 1 320.389 2.121 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001173232415 793645022 /nfs/dbraw/zinc/64/50/22/793645022.db2.gz QZPTZOBUVPURHL-XJKSGUPXSA-N 1 1 315.377 2.454 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1c[nH+]c2n1CCC2 ZINC001177745903 794740553 /nfs/dbraw/zinc/74/05/53/794740553.db2.gz YSUGYCLYLSPBDK-UHFFFAOYSA-N 1 1 318.308 2.115 20 5 DEBDMO CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178463975 794930168 /nfs/dbraw/zinc/93/01/68/794930168.db2.gz PFLKNQREEUYYLA-LPUOJRKPSA-N 1 1 311.426 2.274 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001116126585 794940341 /nfs/dbraw/zinc/94/03/41/794940341.db2.gz SGWOLRKTLSKXFM-RYUDHWBXSA-N 1 1 320.393 2.191 20 5 DEBDMO Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC001116287037 794949550 /nfs/dbraw/zinc/94/95/50/794949550.db2.gz YDKPFLWATJMQSP-UHFFFAOYSA-N 1 1 301.302 2.046 20 5 DEBDMO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c(N)c1[N+](=O)[O-] ZINC001179879718 795197901 /nfs/dbraw/zinc/19/79/01/795197901.db2.gz QYCKLMVVURPIAH-NSHDSACASA-N 1 1 306.366 2.297 20 5 DEBDMO Cc1ccc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)c(N)c1[N+](=O)[O-] ZINC001179879718 795197905 /nfs/dbraw/zinc/19/79/05/795197905.db2.gz QYCKLMVVURPIAH-NSHDSACASA-N 1 1 306.366 2.297 20 5 DEBDMO C[NH+](C)Cc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)o1 ZINC001153289190 797316443 /nfs/dbraw/zinc/31/64/43/797316443.db2.gz CQZOMRVGGMZRTA-UHFFFAOYSA-N 1 1 317.345 2.222 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c2n1CCC2 ZINC001154937967 797643035 /nfs/dbraw/zinc/64/30/35/797643035.db2.gz YDYBQCRXNYWSOO-UHFFFAOYSA-N 1 1 314.345 2.284 20 5 DEBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCCC[N@@H+]1CCCC[C@H]1C ZINC001156929189 798112029 /nfs/dbraw/zinc/11/20/29/798112029.db2.gz TYHBTBDMESLTPB-GFCCVEGCSA-N 1 1 308.382 2.213 20 5 DEBDMO Cc1nc(-n2ccc(C[NH2+]Cc3ccccc3)n2)ncc1[N+](=O)[O-] ZINC001157616690 798243109 /nfs/dbraw/zinc/24/31/09/798243109.db2.gz WEOHMIDRRRUSFU-UHFFFAOYSA-N 1 1 324.344 2.169 20 5 DEBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001198146902 798288982 /nfs/dbraw/zinc/28/89/82/798288982.db2.gz IXTSXQJBPZVROG-GFCCVEGCSA-N 1 1 309.341 2.034 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001160153610 798655322 /nfs/dbraw/zinc/65/53/22/798655322.db2.gz OYAIHRFUGNCLOQ-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(-n2cc(CC[NH3+])c3cnccc32)n1 ZINC001160949723 798768323 /nfs/dbraw/zinc/76/83/23/798768323.db2.gz BMSFKUOLHGTPPR-UHFFFAOYSA-N 1 1 311.345 2.447 20 5 DEBDMO Cc1ccnc(NCC[C@H]2CC[NH2+]CC2(F)F)c1[N+](=O)[O-] ZINC001162811308 799181532 /nfs/dbraw/zinc/18/15/32/799181532.db2.gz VZWDIJJIDXWHTM-SNVBAGLBSA-N 1 1 300.309 2.345 20 5 DEBDMO Cc1cccc(N2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)[nH+]1 ZINC001163658804 799396600 /nfs/dbraw/zinc/39/66/00/799396600.db2.gz ABPGFYMCOHLWRM-UHFFFAOYSA-N 1 1 313.361 2.328 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164210348 799539440 /nfs/dbraw/zinc/53/94/40/799539440.db2.gz BQFFPIOSAYEYCG-UHFFFAOYSA-N 1 1 306.410 2.341 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3c4ccccc4ncc3[N+](=O)[O-])[C@H]2C1 ZINC001164380694 799589114 /nfs/dbraw/zinc/58/91/14/799589114.db2.gz ZCNAYIDXFCWPKZ-WHOFXGATSA-N 1 1 312.373 2.317 20 5 DEBDMO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000932646233 799875859 /nfs/dbraw/zinc/87/58/59/799875859.db2.gz XWZBUHYDYFSHPD-GFCCVEGCSA-N 1 1 322.361 2.379 20 5 DEBDMO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000932646233 799875865 /nfs/dbraw/zinc/87/58/65/799875865.db2.gz XWZBUHYDYFSHPD-GFCCVEGCSA-N 1 1 322.361 2.379 20 5 DEBDMO CCO[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000932981245 799988351 /nfs/dbraw/zinc/98/83/51/799988351.db2.gz YMLACKWDYIOMFM-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO CCO[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000932981245 799988356 /nfs/dbraw/zinc/98/83/56/799988356.db2.gz YMLACKWDYIOMFM-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000933172242 800031539 /nfs/dbraw/zinc/03/15/39/800031539.db2.gz HOADHACKCMVIKL-CHWSQXEVSA-N 1 1 322.361 2.247 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000934107626 800261257 /nfs/dbraw/zinc/26/12/57/800261257.db2.gz XLQXVNCGBGYPSP-CHWSQXEVSA-N 1 1 318.333 2.254 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000934107626 800261260 /nfs/dbraw/zinc/26/12/60/800261260.db2.gz XLQXVNCGBGYPSP-CHWSQXEVSA-N 1 1 318.333 2.254 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000935088899 800556293 /nfs/dbraw/zinc/55/62/93/800556293.db2.gz HFMNPQRFPPGYNE-PHIMTYICSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000935088899 800556295 /nfs/dbraw/zinc/55/62/95/800556295.db2.gz HFMNPQRFPPGYNE-PHIMTYICSA-N 1 1 323.418 2.481 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000935215638 800597946 /nfs/dbraw/zinc/59/79/46/800597946.db2.gz XCLWWELIVOSGRV-NOXHYTERSA-N 1 1 317.389 2.249 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](Oc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229400195 801270748 /nfs/dbraw/zinc/27/07/48/801270748.db2.gz SHWBWVMIIWCBHO-LBPRGKRZSA-N 1 1 302.334 2.400 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC[N@@H+](C)C1 ZINC001229957772 801341788 /nfs/dbraw/zinc/34/17/88/801341788.db2.gz KZICLCPCHWOUBF-LLVKDONJSA-N 1 1 308.334 2.163 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231053302 801565622 /nfs/dbraw/zinc/56/56/22/801565622.db2.gz OKSLWRQGGGWRFO-NSHDSACASA-N 1 1 302.334 2.400 20 5 DEBDMO C[N@H+](CCCNC(=O)C(C)(F)F)Cc1csc([N+](=O)[O-])c1 ZINC001231153596 801595248 /nfs/dbraw/zinc/59/52/48/801595248.db2.gz NSPVHWJLAIPBAL-UHFFFAOYSA-N 1 1 321.349 2.250 20 5 DEBDMO C[N@@H+](CCCNC(=O)C(C)(F)F)Cc1csc([N+](=O)[O-])c1 ZINC001231153596 801595255 /nfs/dbraw/zinc/59/52/55/801595255.db2.gz NSPVHWJLAIPBAL-UHFFFAOYSA-N 1 1 321.349 2.250 20 5 DEBDMO CC1(C)C[NH2+]CC[C@@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001218310886 802166578 /nfs/dbraw/zinc/16/65/78/802166578.db2.gz BWKVZUPTCWVCRF-LBPRGKRZSA-N 1 1 318.333 2.011 20 5 DEBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001233981883 802258865 /nfs/dbraw/zinc/25/88/65/802258865.db2.gz GJRPJFGQQQAHMP-CQSZACIVSA-N 1 1 308.378 2.378 20 5 DEBDMO CCC(=O)NCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001222189493 802652873 /nfs/dbraw/zinc/65/28/73/802652873.db2.gz JXLPMFWLPBCGGK-UHFFFAOYSA-N 1 1 311.407 2.395 20 5 DEBDMO CC[N@H+]1CCC[C@H](OCc2cccc([N+](=O)[O-])c2C(=O)OC)C1 ZINC001223296068 802779871 /nfs/dbraw/zinc/77/98/71/802779871.db2.gz WUIHLEDPDLJROH-ZDUSSCGKSA-N 1 1 322.361 2.382 20 5 DEBDMO O=[N+]([O-])c1cc(CO[C@H]2CCc3[nH+]ccn3C2)cc([N+](=O)[O-])c1 ZINC001223487786 802794192 /nfs/dbraw/zinc/79/41/92/802794192.db2.gz JTTTZLAMYOOTIP-ZDUSSCGKSA-N 1 1 318.289 2.231 20 5 DEBDMO CC[N@H+]1CC[C@H](OCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC001223909377 802822901 /nfs/dbraw/zinc/82/29/01/802822901.db2.gz MEARMANGFDCNFQ-LBPRGKRZSA-N 1 1 310.350 2.223 20 5 DEBDMO CC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001224287235 802855059 /nfs/dbraw/zinc/85/50/59/802855059.db2.gz NJEHGRSXTBQSQR-GLQYFDAESA-N 1 1 320.393 2.438 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001227046783 803192552 /nfs/dbraw/zinc/19/25/52/803192552.db2.gz MMNZMEPIZHHCAL-CLLJXQQHSA-N 1 1 320.345 2.385 20 5 DEBDMO CC(C)[NH+]1CCC(Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001228604532 803379321 /nfs/dbraw/zinc/37/93/21/803379321.db2.gz UCUFMXHKMWIILT-UHFFFAOYSA-N 1 1 322.365 2.219 20 5 DEBDMO COC(=O)c1cc(O[C@@H]2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC001228769760 803408386 /nfs/dbraw/zinc/40/83/86/803408386.db2.gz ZCXGGWQQPFTXCT-CYBMUJFWSA-N 1 1 308.334 2.245 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001345720162 1150909809 /nfs/dbraw/zinc/90/98/09/1150909809.db2.gz RJSVAZBSXPDNIO-MRVWCRGKSA-N 1 1 318.377 2.365 20 5 DEBDMO Cc1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(N)c1[N+](=O)[O-] ZINC001456744689 1057902402 /nfs/dbraw/zinc/90/24/02/1057902402.db2.gz QJFLGJJMPWOFFB-PHIMTYICSA-N 1 1 306.366 2.297 20 5 DEBDMO O=C1OCC[C@@]12CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001460979467 1058562826 /nfs/dbraw/zinc/56/28/26/1058562826.db2.gz XTSRQNBTMZOUOF-CQSZACIVSA-N 1 1 310.737 2.387 20 5 DEBDMO O=C1OCC[C@@]12CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001460979467 1058562841 /nfs/dbraw/zinc/56/28/41/1058562841.db2.gz XTSRQNBTMZOUOF-CQSZACIVSA-N 1 1 310.737 2.387 20 5 DEBDMO CCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001472114875 1060416408 /nfs/dbraw/zinc/41/64/08/1060416408.db2.gz HAMJESSZZQQBIC-UHFFFAOYSA-N 1 1 303.362 2.039 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001472447061 1060506501 /nfs/dbraw/zinc/50/65/01/1060506501.db2.gz DILLELWAVICCGN-LBPRGKRZSA-N 1 1 316.361 2.242 20 5 DEBDMO CC(C)C1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001620668231 1078166922 /nfs/dbraw/zinc/16/69/22/1078166922.db2.gz QLRPUTAKXZLSHV-UHFFFAOYSA-N 1 1 323.349 2.486 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001622845884 1078194748 /nfs/dbraw/zinc/19/47/48/1078194748.db2.gz BIVLFLPMKFJEJX-ZDUSSCGKSA-N 1 1 306.366 2.461 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000044564346 1078341210 /nfs/dbraw/zinc/34/12/10/1078341210.db2.gz RBSBKJOVIBZDAZ-LLVKDONJSA-N 1 1 311.769 2.462 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[N@H+](C)C2CCCCC2)n1 ZINC001631229661 1078360253 /nfs/dbraw/zinc/36/02/53/1078360253.db2.gz NGTCGWDYCAJARA-UHFFFAOYSA-N 1 1 320.393 2.293 20 5 DEBDMO Cc1sc(C[NH3+])nc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001579934775 1067456583 /nfs/dbraw/zinc/45/65/83/1067456583.db2.gz RDIMVZHAFKOOTQ-QMMMGPOBSA-N 1 1 320.374 2.309 20 5 DEBDMO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)o1 ZINC001638381063 1078561156 /nfs/dbraw/zinc/56/11/56/1078561156.db2.gz BOHMRRUDUFYPLM-UHFFFAOYSA-N 1 1 304.306 2.084 20 5 DEBDMO CN(CC(C)(C)C[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001570674270 1068064434 /nfs/dbraw/zinc/06/44/34/1068064434.db2.gz WRZNAPRXRSPSCH-HUUCEWRRSA-N 1 1 323.437 2.226 20 5 DEBDMO C[C@H](Nc1nn(C)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001642555251 1078759927 /nfs/dbraw/zinc/75/99/27/1078759927.db2.gz SDCCSAZLXGBJSX-NWDGAFQWSA-N 1 1 307.398 2.393 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001514830290 1068789460 /nfs/dbraw/zinc/78/94/60/1068789460.db2.gz RDBOZGLWJSTUSC-ZDUSSCGKSA-N 1 1 305.378 2.426 20 5 DEBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1C1CCCC1 ZINC001520685583 1069168687 /nfs/dbraw/zinc/16/86/87/1069168687.db2.gz RQASQIRJSPNMEH-LBPRGKRZSA-N 1 1 320.393 2.022 20 5 DEBDMO CCOc1cc(C[N@H+]2CC[C@@]3(CCOC3=O)C2)ccc1[N+](=O)[O-] ZINC001648657797 1075004515 /nfs/dbraw/zinc/00/45/15/1075004515.db2.gz LCUQANHVXQHSJP-MRXNPFEDSA-N 1 1 320.345 2.133 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001558290909 1075087513 /nfs/dbraw/zinc/08/75/13/1075087513.db2.gz UFEYCFUGSFHAND-UHFFFAOYSA-N 1 1 316.361 2.401 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC001558292023 1075087999 /nfs/dbraw/zinc/08/79/99/1075087999.db2.gz VVUWCIVYBBTXAE-UHFFFAOYSA-N 1 1 302.334 2.092 20 5 DEBDMO O=C1OCC[C@@]12CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001560238205 1075134588 /nfs/dbraw/zinc/13/45/88/1075134588.db2.gz YSSDYLQYPJCFHE-CQSZACIVSA-N 1 1 310.737 2.387 20 5 DEBDMO O=C1OCC[C@@]12CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001560238205 1075134591 /nfs/dbraw/zinc/13/45/91/1075134591.db2.gz YSSDYLQYPJCFHE-CQSZACIVSA-N 1 1 310.737 2.387 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590256305 1076601880 /nfs/dbraw/zinc/60/18/80/1076601880.db2.gz BCKXRXSTIDUZGN-SNVBAGLBSA-N 1 1 302.338 2.149 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001591137264 1076712663 /nfs/dbraw/zinc/71/26/63/1076712663.db2.gz UNWNNYDVPZFKJV-UHFFFAOYSA-N 1 1 316.365 2.395 20 5 DEBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC001609600028 1077881542 /nfs/dbraw/zinc/88/15/42/1077881542.db2.gz MUBVGWBAQGVUOV-CYBMUJFWSA-N 1 1 314.349 2.149 20 5 DEBDMO O=[N+]([O-])c1ccc(NCc2c[nH+]c3n2CCC3)c([N+](=O)[O-])c1 ZINC001651420713 1079811539 /nfs/dbraw/zinc/81/15/39/1079811539.db2.gz ANWVZZJTNJKZSM-UHFFFAOYSA-N 1 1 303.278 2.258 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001652488305 1079878227 /nfs/dbraw/zinc/87/82/27/1079878227.db2.gz OWPYYLXXAYDXHA-LBPRGKRZSA-N 1 1 311.769 2.318 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070231870 1079981004 /nfs/dbraw/zinc/98/10/04/1079981004.db2.gz ACGATHLQEDRHCV-NSHDSACASA-N 1 1 311.769 2.462 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001654915982 1079981805 /nfs/dbraw/zinc/98/18/05/1079981805.db2.gz SNAMWMURGFWJPP-ZDUSSCGKSA-N 1 1 314.345 2.383 20 5 DEBDMO CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001655709150 1080013552 /nfs/dbraw/zinc/01/35/52/1080013552.db2.gz OWYJCXFSDPHLNX-NSHDSACASA-N 1 1 309.341 2.034 20 5 DEBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H](CO)CCF ZINC001658218272 1080202178 /nfs/dbraw/zinc/20/21/78/1080202178.db2.gz BSUDSCVTPKTFQX-QMMMGPOBSA-N 1 1 321.146 2.167 20 5 DEBDMO CCCCC(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001268511052 1080690577 /nfs/dbraw/zinc/69/05/77/1080690577.db2.gz PWTBEKVVMPAAFR-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc4nonc4c3)nc2c1 ZINC001664483709 1080915340 /nfs/dbraw/zinc/91/53/40/1080915340.db2.gz URXPQJMBEFTCLN-UHFFFAOYSA-N 1 1 324.300 2.297 20 5 DEBDMO NC(=O)[C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCN1 ZINC001235753695 1084518449 /nfs/dbraw/zinc/51/84/49/1084518449.db2.gz BDSXROAZJNOCGF-IBGZPJMESA-N 1 1 319.408 2.252 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000718999376 1088749965 /nfs/dbraw/zinc/74/99/65/1088749965.db2.gz GOQJTJOKDLAKPA-UHFFFAOYSA-N 1 1 310.325 2.319 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001246566228 1140971977 /nfs/dbraw/zinc/97/19/77/1140971977.db2.gz FBPVOYFKHRTVOJ-ZWNOBZJWSA-N 1 1 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DEBDMO CC[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281477439 216329099 /nfs/dbraw/zinc/32/90/99/216329099.db2.gz SDWXHCWAUJZMOV-OAHLLOKOSA-N 1 1 321.377 2.059 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281477439 216329101 /nfs/dbraw/zinc/32/91/01/216329101.db2.gz SDWXHCWAUJZMOV-OAHLLOKOSA-N 1 1 321.377 2.059 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1C ZINC000611088397 361526088 /nfs/dbraw/zinc/52/60/88/361526088.db2.gz SUDJCKPQJFAIPF-LLVKDONJSA-N 1 1 316.361 2.242 20 5 DEBDMO CCCCC[N@@H+](CCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253816 361563809 /nfs/dbraw/zinc/56/38/09/361563809.db2.gz RJEFXTQMAPSFRX-UHFFFAOYSA-N 1 1 324.377 2.351 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000611205317 361548617 /nfs/dbraw/zinc/54/86/17/361548617.db2.gz UJRBGUVOCWZDKU-ZDUSSCGKSA-N 1 1 321.377 2.282 20 5 DEBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000275444131 212335916 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319.405 2.470 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000268011604 206396224 /nfs/dbraw/zinc/39/62/24/206396224.db2.gz UVZOVMPQVLFKLM-VXGBXAGGSA-N 1 1 303.362 2.258 20 5 DEBDMO Cc1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000458193590 248194377 /nfs/dbraw/zinc/19/43/77/248194377.db2.gz PQUOCRJPIRJQGY-ZDUSSCGKSA-N 1 1 305.378 2.365 20 5 DEBDMO CCC[N@@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104673782 194023635 /nfs/dbraw/zinc/02/36/35/194023635.db2.gz PMXJWZDPZNLSBJ-UHFFFAOYSA-N 1 1 319.361 2.497 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2CCCO)c2c(c1)COCO2 ZINC000104957270 194056148 /nfs/dbraw/zinc/05/61/48/194056148.db2.gz VRQVNISNAVXZSN-CQSZACIVSA-N 1 1 322.361 2.198 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109756600 194282675 /nfs/dbraw/zinc/28/26/75/194282675.db2.gz JZCMVNJQVIAMND-RYUDHWBXSA-N 1 1 304.268 2.482 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109756600 194282677 /nfs/dbraw/zinc/28/26/77/194282677.db2.gz JZCMVNJQVIAMND-RYUDHWBXSA-N 1 1 304.268 2.482 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000109758087 194283061 /nfs/dbraw/zinc/28/30/61/194283061.db2.gz NREOXEWUTXYJCO-RYUDHWBXSA-N 1 1 304.268 2.482 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000109758087 194283062 /nfs/dbraw/zinc/28/30/62/194283062.db2.gz NREOXEWUTXYJCO-RYUDHWBXSA-N 1 1 304.268 2.482 20 5 DEBDMO CCn1cc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000268914110 207080601 /nfs/dbraw/zinc/08/06/01/207080601.db2.gz IKCBQBAFGLOPEZ-NSHDSACASA-N 1 1 317.349 2.101 20 5 DEBDMO CCc1[nH+]ccn1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000158762070 197299222 /nfs/dbraw/zinc/29/92/22/197299222.db2.gz PITIOZROQGTBCA-UHFFFAOYSA-N 1 1 304.306 2.001 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000157695875 197208499 /nfs/dbraw/zinc/20/84/99/197208499.db2.gz FLTVAROYGCKKAS-ONGXEEELSA-N 1 1 311.769 2.461 20 5 DEBDMO COc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000157449322 197188237 /nfs/dbraw/zinc/18/82/37/197188237.db2.gz JCHPJDDJOPNVCV-UHFFFAOYSA-N 1 1 316.361 2.465 20 5 DEBDMO NC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000157116506 197163400 /nfs/dbraw/zinc/16/34/00/197163400.db2.gz JGTJTSUJUHOHBE-LBPRGKRZSA-N 1 1 315.329 2.162 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000155982692 197078085 /nfs/dbraw/zinc/07/80/85/197078085.db2.gz XTOUGMYWSQAWOE-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000155502597 197061467 /nfs/dbraw/zinc/06/14/67/197061467.db2.gz BNQAELSOZBOHJC-HIFRSBDPSA-N 1 1 303.362 2.151 20 5 DEBDMO C[C@@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542659198 285241419 /nfs/dbraw/zinc/24/14/19/285241419.db2.gz MJAGSRVQPLKCCB-VXGBXAGGSA-N 1 1 323.368 2.295 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)C1 ZINC000299690842 533227052 /nfs/dbraw/zinc/22/70/52/533227052.db2.gz YVCORPLZNVYXNQ-QWRGUYRKSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)C1 ZINC000299690842 533227054 /nfs/dbraw/zinc/22/70/54/533227054.db2.gz YVCORPLZNVYXNQ-QWRGUYRKSA-N 1 1 307.350 2.272 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@]2(C)CO)cccc1[N+](=O)[O-] ZINC000544760040 285373730 /nfs/dbraw/zinc/37/37/30/285373730.db2.gz KQBDOQUUPZNGSB-INIZCTEOSA-N 1 1 321.377 2.079 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000355400656 133024078 /nfs/dbraw/zinc/02/40/78/133024078.db2.gz STVMAHNVAUALNE-UHFFFAOYSA-N 1 1 314.345 2.068 20 5 DEBDMO CC1=CC[N@@H+](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000355547102 133032888 /nfs/dbraw/zinc/03/28/88/133032888.db2.gz OHXTYZMEFGNZJJ-UHFFFAOYSA-N 1 1 307.325 2.116 20 5 DEBDMO CC1=CC[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358139386 133123429 /nfs/dbraw/zinc/12/34/29/133123429.db2.gz NLJPEVPTJDMHIN-UHFFFAOYSA-N 1 1 304.350 2.368 20 5 DEBDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000362279316 133221431 /nfs/dbraw/zinc/22/14/31/133221431.db2.gz LUQVSKVOYQDKSQ-SNVBAGLBSA-N 1 1 320.397 2.439 20 5 DEBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000362872740 133256540 /nfs/dbraw/zinc/25/65/40/133256540.db2.gz HRBOSBHRWURWJE-OBJOEFQTSA-N 1 1 305.378 2.278 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000368444363 133273324 /nfs/dbraw/zinc/27/33/24/133273324.db2.gz YTOARRJYCJQWDX-LBPRGKRZSA-N 1 1 306.362 2.462 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(NC2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000372992893 133373057 /nfs/dbraw/zinc/37/30/57/133373057.db2.gz LPOXMGYAXMQWPD-UHFFFAOYSA-N 1 1 316.365 2.113 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)CC[C@@H]21 ZINC000372066123 404484660 /nfs/dbraw/zinc/48/46/60/404484660.db2.gz LFWFNMDOZVQACA-QWRGUYRKSA-N 1 1 317.349 2.052 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000246684980 145110841 /nfs/dbraw/zinc/11/08/41/145110841.db2.gz WDJQDYWNQOXUDA-DZGCQCFKSA-N 1 1 305.378 2.411 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000249034662 145175951 /nfs/dbraw/zinc/17/59/51/145175951.db2.gz FWOCFBWBOQUGGL-SWLSCSKDSA-N 1 1 322.361 2.105 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000249092961 145178458 /nfs/dbraw/zinc/17/84/58/145178458.db2.gz OGXYIHIPHYQLBI-SMDDNHRTSA-N 1 1 322.361 2.234 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000249092961 145178460 /nfs/dbraw/zinc/17/84/60/145178460.db2.gz OGXYIHIPHYQLBI-SMDDNHRTSA-N 1 1 322.361 2.234 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000318615505 145368988 /nfs/dbraw/zinc/36/89/88/145368988.db2.gz JKEHKCPDJZWZKL-UHFFFAOYSA-N 1 1 308.382 2.098 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)OC)[C@H]1C ZINC000346657892 146118522 /nfs/dbraw/zinc/11/85/22/146118522.db2.gz HFHRFAQOUSHUGB-BXUZGUMPSA-N 1 1 322.361 2.377 20 5 DEBDMO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000348236514 146239075 /nfs/dbraw/zinc/23/90/75/146239075.db2.gz VTHGWEKYAWZZFM-WBMJQRKESA-N 1 1 306.362 2.473 20 5 DEBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000348236514 146239076 /nfs/dbraw/zinc/23/90/76/146239076.db2.gz VTHGWEKYAWZZFM-WBMJQRKESA-N 1 1 306.362 2.473 20 5 DEBDMO CCN1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ncc[nH]1 ZINC000348365116 146261561 /nfs/dbraw/zinc/26/15/61/146261561.db2.gz NTZILKWHQRJXTR-HNNXBMFYSA-N 1 1 315.377 2.197 20 5 DEBDMO CCN1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ncc[nH]1 ZINC000348365116 146261562 /nfs/dbraw/zinc/26/15/62/146261562.db2.gz NTZILKWHQRJXTR-HNNXBMFYSA-N 1 1 315.377 2.197 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000348391968 146264792 /nfs/dbraw/zinc/26/47/92/146264792.db2.gz ADVMZQBSLHBTFV-NEPJUHHUSA-N 1 1 321.377 2.206 20 5 DEBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349237047 146360731 /nfs/dbraw/zinc/36/07/31/146360731.db2.gz IBPNRSYJCAVMOY-SNVBAGLBSA-N 1 1 304.306 2.262 20 5 DEBDMO Cc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC(C)C2)cc1[N+](=O)[O-] ZINC000565431480 292161561 /nfs/dbraw/zinc/16/15/61/292161561.db2.gz IZZLXKIYLQASGC-STQMWFEESA-N 1 1 305.378 2.421 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC000361211500 147468850 /nfs/dbraw/zinc/46/88/50/147468850.db2.gz PIDIVHWFWRGRGP-GFCCVEGCSA-N 1 1 320.393 2.050 20 5 DEBDMO Cc1c(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000565574098 292171375 /nfs/dbraw/zinc/17/13/75/292171375.db2.gz AHGKJRUAULNBLO-ZDUSSCGKSA-N 1 1 320.393 2.044 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@H](C)C1 ZINC000371110563 148063937 /nfs/dbraw/zinc/06/39/37/148063937.db2.gz ZREKXLFDDNMZCS-LBPRGKRZSA-N 1 1 321.377 2.200 20 5 DEBDMO COc1ccc(NC(=O)C[NH+]2CCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000371343520 148090767 /nfs/dbraw/zinc/09/07/67/148090767.db2.gz GYPVKSLWYCJJJD-UHFFFAOYSA-N 1 1 319.361 2.418 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000073986968 401726318 /nfs/dbraw/zinc/72/63/18/401726318.db2.gz ZCQAGMLXVIHJJQ-KGLIPLIRSA-N 1 1 303.362 2.212 20 5 DEBDMO CC(C)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000075610287 401764101 /nfs/dbraw/zinc/76/41/01/401764101.db2.gz IGKBNNIRVGHXLT-UHFFFAOYSA-N 1 1 303.362 2.357 20 5 DEBDMO Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000115436543 401827729 /nfs/dbraw/zinc/82/77/29/401827729.db2.gz CCJWXPFCFSWXFB-ZDUSSCGKSA-N 1 1 305.378 2.317 20 5 DEBDMO CC[C@H]1COCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000115575732 401832277 /nfs/dbraw/zinc/83/22/77/401832277.db2.gz WWWLYBCPPYEBLX-ZDUSSCGKSA-N 1 1 321.377 2.343 20 5 DEBDMO CC[C@H]1COCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000115577091 401832641 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CCc1nocc1C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293362239 403453278 /nfs/dbraw/zinc/45/32/78/403453278.db2.gz IKWXPFBCYRODIH-OAHLLOKOSA-N 1 1 305.334 2.311 20 5 DEBDMO CCc1nocc1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293362239 403453280 /nfs/dbraw/zinc/45/32/80/403453280.db2.gz IKWXPFBCYRODIH-OAHLLOKOSA-N 1 1 305.334 2.311 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298765930 403459305 /nfs/dbraw/zinc/45/93/05/403459305.db2.gz WDGWDJQHVKMUQV-KGLIPLIRSA-N 1 1 304.350 2.343 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000286213419 403473779 /nfs/dbraw/zinc/47/37/79/403473779.db2.gz QPMCMUNRBIODBJ-GJZGRUSLSA-N 1 1 302.334 2.188 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000286213419 403473783 /nfs/dbraw/zinc/47/37/83/403473783.db2.gz QPMCMUNRBIODBJ-GJZGRUSLSA-N 1 1 302.334 2.188 20 5 DEBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000286438989 403527307 /nfs/dbraw/zinc/52/73/07/403527307.db2.gz LOSDWTPOMUHADO-CQSZACIVSA-N 1 1 305.378 2.476 20 5 DEBDMO C[N@@H+](Cc1ccccc1)C1CN(c2ncc([N+](=O)[O-])s2)C1 ZINC000286444483 403528323 /nfs/dbraw/zinc/52/83/23/403528323.db2.gz SWHIATRDRZOTRF-UHFFFAOYSA-N 1 1 304.375 2.372 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000343246225 403509469 /nfs/dbraw/zinc/50/94/69/403509469.db2.gz DNRVRRVINNDQNO-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000346761923 403601513 /nfs/dbraw/zinc/60/15/13/403601513.db2.gz CTPQQIHXVZLYCK-OLZOCXBDSA-N 1 1 305.378 2.458 20 5 DEBDMO Cc1ccnc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000301309670 403614745 /nfs/dbraw/zinc/61/47/45/403614745.db2.gz XWBUQZNVVAZNKG-ZDUSSCGKSA-N 1 1 308.382 2.067 20 5 DEBDMO C[C@H]1[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000347262628 403640986 /nfs/dbraw/zinc/64/09/86/403640986.db2.gz NCZXNFMGCUQXSK-TVQRCGJNSA-N 1 1 310.329 2.338 20 5 DEBDMO CCN1CC[NH+]([C@H](C)CNc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000301522172 403641600 /nfs/dbraw/zinc/64/16/00/403641600.db2.gz LSTSGMGSTPTRAQ-CQSZACIVSA-N 1 1 306.410 2.341 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000347371737 403684195 /nfs/dbraw/zinc/68/41/95/403684195.db2.gz PGGBQRDUEDRFCR-WQMJKPAKSA-N 1 1 315.373 2.305 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000347371737 403684197 /nfs/dbraw/zinc/68/41/97/403684197.db2.gz PGGBQRDUEDRFCR-WQMJKPAKSA-N 1 1 315.373 2.305 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc([N+](=O)[O-])c1 ZINC000294271703 403688923 /nfs/dbraw/zinc/68/89/23/403688923.db2.gz UHPAHAMJBDMTMV-QGZVFWFLSA-N 1 1 317.389 2.461 20 5 DEBDMO C[C@H](NC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000343797112 403737695 /nfs/dbraw/zinc/73/76/95/403737695.db2.gz LFFPQMQDWBIHBA-HUBLWGQQSA-N 1 1 320.393 2.438 20 5 DEBDMO C[C@H](NC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000343797118 403738086 /nfs/dbraw/zinc/73/80/86/403738086.db2.gz LFFPQMQDWBIHBA-ZOWXZIJZSA-N 1 1 320.393 2.438 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C(C)(C)O ZINC000295079652 403752449 /nfs/dbraw/zinc/75/24/49/403752449.db2.gz DGMKJQLGAKYEFM-LBPRGKRZSA-N 1 1 323.393 2.323 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000343965326 403811294 /nfs/dbraw/zinc/81/12/94/403811294.db2.gz NHDGOLFQJLROTJ-LBPRGKRZSA-N 1 1 322.365 2.063 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000351653130 403832506 /nfs/dbraw/zinc/83/25/06/403832506.db2.gz VOKPZRKLVWMOMO-WDEREUQCSA-N 1 1 322.340 2.482 20 5 DEBDMO CCC[C@@]1(C)CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304295086 403776872 /nfs/dbraw/zinc/77/68/72/403776872.db2.gz FHTIAWRHHJIHOL-CABCVRRESA-N 1 1 310.398 2.054 20 5 DEBDMO CC(=O)NCC[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000347648801 403790701 /nfs/dbraw/zinc/79/07/01/403790701.db2.gz JFZUOMNQKWRCRM-MRXNPFEDSA-N 1 1 319.405 2.376 20 5 DEBDMO COc1cc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000289129935 403843814 /nfs/dbraw/zinc/84/38/14/403843814.db2.gz XRYBJQLYOLWVNG-QWRGUYRKSA-N 1 1 312.341 2.335 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000289129935 403843817 /nfs/dbraw/zinc/84/38/17/403843817.db2.gz XRYBJQLYOLWVNG-QWRGUYRKSA-N 1 1 312.341 2.335 20 5 DEBDMO Cc1cccc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295377989 403891953 /nfs/dbraw/zinc/89/19/53/403891953.db2.gz PIKFUQJBLCMRIL-LBPRGKRZSA-N 1 1 317.389 2.460 20 5 DEBDMO CCNc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000336864700 403938550 /nfs/dbraw/zinc/93/85/50/403938550.db2.gz ADWNMXUEZXNHQD-ZDUSSCGKSA-N 1 1 320.393 2.193 20 5 DEBDMO Cn1ncc2c1CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000411843852 403988953 /nfs/dbraw/zinc/98/89/53/403988953.db2.gz LJTDQQLOIUTKGQ-UHFFFAOYSA-N 1 1 316.361 2.156 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000363172509 404101787 /nfs/dbraw/zinc/10/17/87/404101787.db2.gz OXDODBBNLBPWGV-CQSZACIVSA-N 1 1 300.362 2.393 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](N2CCOCC2)[C@@H]1C ZINC000352020189 404085469 /nfs/dbraw/zinc/08/54/69/404085469.db2.gz XPOVNKIYLGPBIF-YCPHGPKFSA-N 1 1 319.405 2.451 20 5 DEBDMO CS[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000296212243 404146241 /nfs/dbraw/zinc/14/62/41/404146241.db2.gz JRCLWXIYMXJAQA-QWRGUYRKSA-N 1 1 309.391 2.359 20 5 DEBDMO CS[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000296212243 404146247 /nfs/dbraw/zinc/14/62/47/404146247.db2.gz JRCLWXIYMXJAQA-QWRGUYRKSA-N 1 1 309.391 2.359 20 5 DEBDMO CCOc1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)ccc1[N+](=O)[O-] ZINC000369595522 404158556 /nfs/dbraw/zinc/15/85/56/404158556.db2.gz DFIGIFAWZFZROR-CYBMUJFWSA-N 1 1 317.349 2.032 20 5 DEBDMO CCOc1cc(C[N@H+]2CC[C@@H](n3cncn3)C2)ccc1[N+](=O)[O-] ZINC000369595522 404158562 /nfs/dbraw/zinc/15/85/62/404158562.db2.gz DFIGIFAWZFZROR-CYBMUJFWSA-N 1 1 317.349 2.032 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2COc2ccccc2)c1 ZINC000296242972 404158793 /nfs/dbraw/zinc/15/87/93/404158793.db2.gz LCFWIVSROLDTEH-AWEZNQCLSA-N 1 1 316.361 2.335 20 5 DEBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCOC1 ZINC000352233930 404235525 /nfs/dbraw/zinc/23/55/25/404235525.db2.gz ZYDCUTGZGKYWLA-ZDUSSCGKSA-N 1 1 308.334 2.072 20 5 DEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCOC1 ZINC000352233930 404235531 /nfs/dbraw/zinc/23/55/31/404235531.db2.gz ZYDCUTGZGKYWLA-ZDUSSCGKSA-N 1 1 308.334 2.072 20 5 DEBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363939081 404260079 /nfs/dbraw/zinc/26/00/79/404260079.db2.gz RFRZPYFEYJVBEC-UONOGXRCSA-N 1 1 303.362 2.260 20 5 DEBDMO COC[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000296781821 404319950 /nfs/dbraw/zinc/31/99/50/404319950.db2.gz QFJMGXZFZUCGLV-WBMJQRKESA-N 1 1 321.377 2.280 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338319985 404363595 /nfs/dbraw/zinc/36/35/95/404363595.db2.gz AGJDACOTJDQIGC-OKILXGFUSA-N 1 1 319.405 2.469 20 5 DEBDMO CC[C@@H]1CCCC[N@H+]1CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342129475 404387220 /nfs/dbraw/zinc/38/72/20/404387220.db2.gz NGRNHWIRYMGXRH-GFCCVEGCSA-N 1 1 320.393 2.370 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000344923001 404448788 /nfs/dbraw/zinc/44/87/88/404448788.db2.gz WDIJATCHTUDMMJ-CMPLNLGQSA-N 1 1 322.365 2.208 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291860959 404554121 /nfs/dbraw/zinc/55/41/21/404554121.db2.gz PHTYOISUAXQOJI-ZDUSSCGKSA-N 1 1 302.334 2.117 20 5 DEBDMO Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000297651308 404578364 /nfs/dbraw/zinc/57/83/64/404578364.db2.gz YMQOEGBEQCUFCF-GXTWGEPZSA-N 1 1 317.393 2.146 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000291917200 404580312 /nfs/dbraw/zinc/58/03/12/404580312.db2.gz RGXNMBBEFYQZGZ-OAHLLOKOSA-N 1 1 304.350 2.154 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1CNCC1=CC[N@H+](C)CC1 ZINC000345187576 404602391 /nfs/dbraw/zinc/60/23/91/404602391.db2.gz OWWHILDRSLDQTN-UHFFFAOYSA-N 1 1 305.378 2.345 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1CNCC1=CC[N@@H+](C)CC1 ZINC000345187576 404602395 /nfs/dbraw/zinc/60/23/95/404602395.db2.gz OWWHILDRSLDQTN-UHFFFAOYSA-N 1 1 305.378 2.345 20 5 DEBDMO COc1cc(N2CC[C@H](c3[nH+]ccn3C)C2)c(F)cc1[N+](=O)[O-] ZINC000351506451 404614132 /nfs/dbraw/zinc/61/41/32/404614132.db2.gz SZSFAFAGTARYBE-JTQLQIEISA-N 1 1 320.324 2.470 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000330579196 404691932 /nfs/dbraw/zinc/69/19/32/404691932.db2.gz IAZLLURWILMJIS-VXGBXAGGSA-N 1 1 323.418 2.238 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000330579196 404691935 /nfs/dbraw/zinc/69/19/35/404691935.db2.gz IAZLLURWILMJIS-VXGBXAGGSA-N 1 1 323.418 2.238 20 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CC1(C)C[C@H](O)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000451814982 405049969 /nfs/dbraw/zinc/04/99/69/405049969.db2.gz UZEVHDXBRGYRRV-GFCCVEGCSA-N 1 1 318.377 2.454 20 5 DEBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000451814982 405049974 /nfs/dbraw/zinc/04/99/74/405049974.db2.gz UZEVHDXBRGYRRV-GFCCVEGCSA-N 1 1 318.377 2.454 20 5 DEBDMO CC1=CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000436263841 405064755 /nfs/dbraw/zinc/06/47/55/405064755.db2.gz IBKGMLAZZIEDOV-HNNXBMFYSA-N 1 1 301.346 2.352 20 5 DEBDMO CC1=CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000436263841 405064758 /nfs/dbraw/zinc/06/47/58/405064758.db2.gz IBKGMLAZZIEDOV-HNNXBMFYSA-N 1 1 301.346 2.352 20 5 DEBDMO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)C[N@H+]1C ZINC000408102109 405112934 /nfs/dbraw/zinc/11/29/34/405112934.db2.gz ABALNKBEYQZPNO-BDAKNGLRSA-N 1 1 307.379 2.128 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](C)OC ZINC000361562881 405131851 /nfs/dbraw/zinc/13/18/51/405131851.db2.gz GNRABBFNLTXOMA-GFCCVEGCSA-N 1 1 309.366 2.280 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000408277198 405159853 /nfs/dbraw/zinc/15/98/53/405159853.db2.gz NQFLMLNSDIZLLX-YGRLFVJLSA-N 1 1 322.340 2.292 20 5 DEBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000408276816 405159895 /nfs/dbraw/zinc/15/98/95/405159895.db2.gz LMACBMXFCUKWIQ-GXFFZTMASA-N 1 1 322.340 2.434 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000568477887 292342718 /nfs/dbraw/zinc/34/27/18/292342718.db2.gz GJORAAAYODVMJV-LLVKDONJSA-N 1 1 322.365 2.161 20 5 DEBDMO C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000354401879 405196300 /nfs/dbraw/zinc/19/63/00/405196300.db2.gz XPRVUSDXXKKCSO-NEPJUHHUSA-N 1 1 320.393 2.170 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000439008215 405262901 /nfs/dbraw/zinc/26/29/01/405262901.db2.gz OPTAOQZPMORVBP-LLVKDONJSA-N 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COc1ccc(NC(=O)C[N@H+]2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000426474605 405362391 /nfs/dbraw/zinc/36/23/91/405362391.db2.gz UTSKSRYEBZKMRU-RISCZKNCSA-N 1 1 319.361 2.416 20 5 DEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446107747 405373003 /nfs/dbraw/zinc/37/30/03/405373003.db2.gz IIYYZTCWUKXANS-ZDUSSCGKSA-N 1 1 305.378 2.080 20 5 DEBDMO C[N@H+](CCCNC(=O)C1CCC1)Cc1csc([N+](=O)[O-])c1 ZINC000429552157 405436261 /nfs/dbraw/zinc/43/62/61/405436261.db2.gz IMWVKJYEKQFQJF-UHFFFAOYSA-N 1 1 311.407 2.395 20 5 DEBDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1csc([N+](=O)[O-])c1 ZINC000429552157 405436262 /nfs/dbraw/zinc/43/62/62/405436262.db2.gz IMWVKJYEKQFQJF-UHFFFAOYSA-N 1 1 311.407 2.395 20 5 DEBDMO C[N@@H+](CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000429902490 405454861 /nfs/dbraw/zinc/45/48/61/405454861.db2.gz MQFDWFVTOFEQCF-UHFFFAOYSA-N 1 1 305.378 2.083 20 5 DEBDMO CC(C)[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000492994232 405521697 /nfs/dbraw/zinc/52/16/97/405521697.db2.gz ZQKCCDAPZGNXQB-FSNWXROXSA-N 1 1 317.389 2.407 20 5 DEBDMO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)cc1[N+](=O)[O-] ZINC000449641558 405653426 /nfs/dbraw/zinc/65/34/26/405653426.db2.gz DKFIRNBFRDXETA-KGLIPLIRSA-N 1 1 303.362 2.098 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC1(C)C ZINC000457070205 405679581 /nfs/dbraw/zinc/67/95/81/405679581.db2.gz GKTBGEXLJKEXNX-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO CNc1c(C(=O)NCCCC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000457163137 405732012 /nfs/dbraw/zinc/73/20/12/405732012.db2.gz GSDQBPHANHMTQD-UHFFFAOYSA-N 1 1 320.393 2.241 20 5 DEBDMO Cc1ccc(NC(=O)CCCN2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000433142077 405878744 /nfs/dbraw/zinc/87/87/44/405878744.db2.gz ROCFCVMXMOWDLC-UHFFFAOYSA-N 1 1 320.393 2.045 20 5 DEBDMO CC[C@]1(O)CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000495201350 405836731 /nfs/dbraw/zinc/83/67/31/405836731.db2.gz KUDZXIWTWDCTRR-INIZCTEOSA-N 1 1 321.377 2.079 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000533432020 406143506 /nfs/dbraw/zinc/14/35/06/406143506.db2.gz WWWQATDBLPLMMZ-QWRGUYRKSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000533432020 406143510 /nfs/dbraw/zinc/14/35/10/406143510.db2.gz WWWQATDBLPLMMZ-QWRGUYRKSA-N 1 1 307.350 2.272 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@H](C(C)C)C2)c1 ZINC000487136827 406209221 /nfs/dbraw/zinc/20/92/21/406209221.db2.gz KUZWAHBIMAOSKN-HNNXBMFYSA-N 1 1 321.377 2.158 20 5 DEBDMO Cc1nc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488729950 406341429 /nfs/dbraw/zinc/34/14/29/406341429.db2.gz GXECKQAKUQBGMW-LALPHHSUSA-N 1 1 304.394 2.465 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000489373833 406399427 /nfs/dbraw/zinc/39/94/27/406399427.db2.gz SMKWZVPUGNCQEA-OAHLLOKOSA-N 1 1 321.377 2.016 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000571167542 406486170 /nfs/dbraw/zinc/48/61/70/406486170.db2.gz DGIYIYQFPXKRMN-PHIMTYICSA-N 1 1 306.366 2.448 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000525670815 406493109 /nfs/dbraw/zinc/49/31/09/406493109.db2.gz KGZOGUSWOKDOFM-ZDUSSCGKSA-N 1 1 305.378 2.363 20 5 DEBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000491188888 406539747 /nfs/dbraw/zinc/53/97/47/406539747.db2.gz ZBOXQLOAYQPLIZ-PLDWVVQRSA-N 1 1 315.373 2.351 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000550658279 406606649 /nfs/dbraw/zinc/60/66/49/406606649.db2.gz HJYFNEKHCXWWEY-INIZCTEOSA-N 1 1 319.405 2.282 20 5 DEBDMO O=[N+]([O-])c1ccccc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000550658279 406606654 /nfs/dbraw/zinc/60/66/54/406606654.db2.gz HJYFNEKHCXWWEY-INIZCTEOSA-N 1 1 319.405 2.282 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491879189 406760388 /nfs/dbraw/zinc/76/03/88/406760388.db2.gz ANHZUBAZKQSDSV-HJWRWDBZSA-N 1 1 305.378 2.456 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491940676 406784841 /nfs/dbraw/zinc/78/48/41/406784841.db2.gz RBSPHOIRKZWNNK-IRBQFCFKSA-N 1 1 303.362 2.066 20 5 DEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000133100405 196311575 /nfs/dbraw/zinc/31/15/75/196311575.db2.gz WCHHLGYZICFOJB-HNNXBMFYSA-N 1 1 319.361 2.177 20 5 DEBDMO C[C@@H]1COCCN1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000192748132 225141163 /nfs/dbraw/zinc/14/11/63/225141163.db2.gz UCPCBEXFHMVQSA-CQSZACIVSA-N 1 1 319.405 2.280 20 5 DEBDMO CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@@H](C)OC ZINC000291112920 222145741 /nfs/dbraw/zinc/14/57/41/222145741.db2.gz SZGKNCDADCYZOF-LLVKDONJSA-N 1 1 312.366 2.469 20 5 DEBDMO Cc1cc(N2CC[NH+](C[C@H](C)O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000302418703 230239974 /nfs/dbraw/zinc/23/99/74/230239974.db2.gz MQYAABJJHBGAGZ-NSHDSACASA-N 1 1 313.785 2.059 20 5 DEBDMO Cc1nc(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450255814 425067231 /nfs/dbraw/zinc/06/72/31/425067231.db2.gz NOAXLYPPPWMENM-BETUJISGSA-N 1 1 321.425 2.863 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430239479 269127241 /nfs/dbraw/zinc/12/72/41/269127241.db2.gz NBIBDTNZGKFEJL-SMDDNHRTSA-N 1 1 322.361 2.234 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430239479 269127242 /nfs/dbraw/zinc/12/72/42/269127242.db2.gz NBIBDTNZGKFEJL-SMDDNHRTSA-N 1 1 322.361 2.234 20 5 DEBDMO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430239478 269127477 /nfs/dbraw/zinc/12/74/77/269127477.db2.gz NBIBDTNZGKFEJL-RISCZKNCSA-N 1 1 322.361 2.234 20 5 DEBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430239478 269127479 /nfs/dbraw/zinc/12/74/79/269127479.db2.gz NBIBDTNZGKFEJL-RISCZKNCSA-N 1 1 322.361 2.234 20 5 DEBDMO CNC(=O)OC[C@@H]1CCCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000497293460 269298875 /nfs/dbraw/zinc/29/88/75/269298875.db2.gz NNINRZLXJZQHTJ-LBPRGKRZSA-N 1 1 323.349 2.011 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421088693 274099621 /nfs/dbraw/zinc/09/96/21/274099621.db2.gz DGMLTOWFWCJPOA-LBPRGKRZSA-N 1 1 322.365 2.161 20 5 DEBDMO O=C1[C@@H]([N@H+]2CC[C@H](C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344022119 275027976 /nfs/dbraw/zinc/02/79/76/275027976.db2.gz CVTNTBPRCSTVQE-BBRMVZONSA-N 1 1 315.373 2.432 20 5 DEBDMO C[NH+](C)C1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000444296763 276774691 /nfs/dbraw/zinc/77/46/91/276774691.db2.gz HGXDFDAUSORPMJ-UHFFFAOYSA-N 1 1 321.380 2.067 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(c3nc4sccn4c3[N+](=O)[O-])C2)C1 ZINC000292683314 277073028 /nfs/dbraw/zinc/07/30/28/277073028.db2.gz DTIMGDCDEFKIAK-CQSZACIVSA-N 1 1 321.406 2.226 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000421703778 278174844 /nfs/dbraw/zinc/17/48/44/278174844.db2.gz NACFAGCDGSCOTO-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000192652643 279036429 /nfs/dbraw/zinc/03/64/29/279036429.db2.gz PBHFZWIPXBJFOG-LBPRGKRZSA-N 1 1 321.377 2.017 20 5 DEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295195694 279166947 /nfs/dbraw/zinc/16/69/47/279166947.db2.gz JNOSAHFMBJBCPC-CYBMUJFWSA-N 1 1 315.732 2.022 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192529100 280397916 /nfs/dbraw/zinc/39/79/16/280397916.db2.gz RWMWVTHCSILSKW-OKILXGFUSA-N 1 1 317.389 2.154 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000178304245 281011234 /nfs/dbraw/zinc/01/12/34/281011234.db2.gz LUUBPOWORLRIAN-ZDUSSCGKSA-N 1 1 315.377 2.491 20 5 DEBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000356873799 289013457 /nfs/dbraw/zinc/01/34/57/289013457.db2.gz KMUOTAPKXNSPBQ-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000356873799 289013459 /nfs/dbraw/zinc/01/34/59/289013459.db2.gz KMUOTAPKXNSPBQ-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000449570827 289188813 /nfs/dbraw/zinc/18/88/13/289188813.db2.gz CEDVPNOARZQILB-CYBMUJFWSA-N 1 1 315.732 2.022 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135564746 295255037 /nfs/dbraw/zinc/25/50/37/295255037.db2.gz SRRPFLHCQMLBAA-DZGCQCFKSA-N 1 1 324.402 2.310 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135564746 295255039 /nfs/dbraw/zinc/25/50/39/295255039.db2.gz SRRPFLHCQMLBAA-DZGCQCFKSA-N 1 1 324.402 2.310 20 5 DEBDMO Cc1ccnc(N2CCC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000373059809 302271971 /nfs/dbraw/zinc/27/19/71/302271971.db2.gz RRLQRHVDTZYTLS-LBPRGKRZSA-N 1 1 301.350 2.416 20 5 DEBDMO CC(C)Oc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000574290315 326141232 /nfs/dbraw/zinc/14/12/32/326141232.db2.gz KWMNFRSHJAIBBK-OLZOCXBDSA-N 1 1 320.393 2.450 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000574768123 326185967 /nfs/dbraw/zinc/18/59/67/326185967.db2.gz GZUSZWLSDRPJPS-MRXNPFEDSA-N 1 1 319.405 2.200 20 5 DEBDMO COc1nccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000574822600 326191207 /nfs/dbraw/zinc/19/12/07/326191207.db2.gz LJMJLDMLAAURBA-CYBMUJFWSA-N 1 1 300.318 2.171 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000584437764 337325323 /nfs/dbraw/zinc/32/53/23/337325323.db2.gz WLYFOJYSPOQAQK-QWHCGFSZSA-N 1 1 303.362 2.212 20 5 DEBDMO C[C@@H](C(=O)N1CC[N@@H+](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000584444492 337326245 /nfs/dbraw/zinc/32/62/45/337326245.db2.gz NBDQFMLRFJYWLD-QWHCGFSZSA-N 1 1 305.378 2.251 20 5 DEBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000338420591 520587102 /nfs/dbraw/zinc/58/71/02/520587102.db2.gz FGLNHEOWZCVQMT-LBPRGKRZSA-N 1 1 323.397 2.011 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000338448155 521281179 /nfs/dbraw/zinc/28/11/79/521281179.db2.gz SNTBUHMAAWWNBQ-FZMZJTMJSA-N 1 1 321.377 2.206 20 5 DEBDMO C[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246005436 524246041 /nfs/dbraw/zinc/24/60/41/524246041.db2.gz GAAQMKVHUKFPDO-DOMZBBRYSA-N 1 1 303.362 2.432 20 5 DEBDMO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331892411 534809095 /nfs/dbraw/zinc/80/90/95/534809095.db2.gz FQZQLRZTALDCBZ-LBPRGKRZSA-N 1 1 319.361 2.047 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331892411 534809098 /nfs/dbraw/zinc/80/90/98/534809098.db2.gz FQZQLRZTALDCBZ-LBPRGKRZSA-N 1 1 319.361 2.047 20 5 DEBDMO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000337053162 526760003 /nfs/dbraw/zinc/76/00/03/526760003.db2.gz AFTYZGRGJFBEQJ-HIFRSBDPSA-N 1 1 318.377 2.021 20 5 DEBDMO O=[N+]([O-])c1ccc(OC2CN(c3[nH+]cnc4[nH]ccc43)C2)cc1 ZINC000365027606 527371218 /nfs/dbraw/zinc/37/12/18/527371218.db2.gz IPQRQMQAECPJQP-UHFFFAOYSA-N 1 1 311.301 2.134 20 5 DEBDMO CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302052345 527708448 /nfs/dbraw/zinc/70/84/48/527708448.db2.gz OSGHYWDORDAQJP-UHFFFAOYSA-N 1 1 301.293 2.338 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000428510671 527993994 /nfs/dbraw/zinc/99/39/94/527993994.db2.gz QJEPWGMQLVLQFX-ZDUSSCGKSA-N 1 1 307.394 2.374 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297522856 529029195 /nfs/dbraw/zinc/02/91/95/529029195.db2.gz HRQVWFXLBAZRRD-ZDUSSCGKSA-N 1 1 320.393 2.393 20 5 DEBDMO CCc1[nH]nc(C(=O)Nc2cc(C)c3[nH+]ccn3c2)c1[N+](=O)[O-] ZINC000355399318 536008196 /nfs/dbraw/zinc/00/81/96/536008196.db2.gz DMNFIIZHWGZOMF-UHFFFAOYSA-N 1 1 314.305 2.089 20 5 DEBDMO COc1cc(CNCC[N@H+]2CCCC2(C)C)c([N+](=O)[O-])cc1O ZINC000449779704 536797590 /nfs/dbraw/zinc/79/75/90/536797590.db2.gz DRBKKYGBYXWQPC-UHFFFAOYSA-N 1 1 323.393 2.273 20 5 DEBDMO CC(C)Oc1nc(N2CCC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001327710215 1148629093 /nfs/dbraw/zinc/62/90/93/1148629093.db2.gz DHVNEHHQKKQEOD-ZDUSSCGKSA-N 1 1 320.393 2.452 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000891195535 623686644 /nfs/dbraw/zinc/68/66/44/623686644.db2.gz VOMJRKIYUYINNL-ZDUSSCGKSA-N 1 1 305.378 2.378 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000891195535 623686647 /nfs/dbraw/zinc/68/66/47/623686647.db2.gz VOMJRKIYUYINNL-ZDUSSCGKSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1C ZINC000891904428 624655909 /nfs/dbraw/zinc/65/59/09/624655909.db2.gz BQTNGIHIVGPUKO-CYBMUJFWSA-N 1 1 305.378 2.378 20 5 DEBDMO CCOC[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000177628711 625042646 /nfs/dbraw/zinc/04/26/46/625042646.db2.gz VJBMSYGZTGPZNU-GFCCVEGCSA-N 1 1 304.350 2.260 20 5 DEBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000893201113 625223726 /nfs/dbraw/zinc/22/37/26/625223726.db2.gz WSSOATNRAIMUHL-LLVKDONJSA-N 1 1 321.406 2.273 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2CO)c1Br ZINC000236512603 625888472 /nfs/dbraw/zinc/88/84/72/625888472.db2.gz NRWDDVLGBUWJFK-JTQLQIEISA-N 1 1 315.167 2.314 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2CO)c1Br ZINC000236512603 625888473 /nfs/dbraw/zinc/88/84/73/625888473.db2.gz NRWDDVLGBUWJFK-JTQLQIEISA-N 1 1 315.167 2.314 20 5 DEBDMO CC1(C)C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000735297397 633495549 /nfs/dbraw/zinc/49/55/49/633495549.db2.gz HPOOKMKTLZJUIU-UHFFFAOYSA-N 1 1 304.350 2.403 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1[N+](=O)[O-] ZINC000893914148 636063698 /nfs/dbraw/zinc/06/36/98/636063698.db2.gz TUPNTGOLHBOPNQ-DMDPSCGWSA-N 1 1 324.377 2.290 20 5 DEBDMO C[N@H+]1C[C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)[C@H]2C1 ZINC000893938944 636070122 /nfs/dbraw/zinc/07/01/22/636070122.db2.gz GUIVCEPWLNTEPM-SKDRFNHKSA-N 1 1 304.375 2.345 20 5 DEBDMO C[N@H+]1C[C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)[C@@H]2C1 ZINC000893938933 636070318 /nfs/dbraw/zinc/07/03/18/636070318.db2.gz GUIVCEPWLNTEPM-BXKDBHETSA-N 1 1 304.375 2.345 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1noc2c1COCC2 ZINC000923014932 636912811 /nfs/dbraw/zinc/91/28/11/636912811.db2.gz GULNLKBNDRZCJP-HYXAFXHYSA-N 1 1 315.329 2.459 20 5 DEBDMO COC[C@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000739873797 637733508 /nfs/dbraw/zinc/73/35/08/637733508.db2.gz VFFURLFLJTWBJL-ZDUSSCGKSA-N 1 1 316.361 2.384 20 5 DEBDMO CCC[N@@H+](CC)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000727820873 638393871 /nfs/dbraw/zinc/39/38/71/638393871.db2.gz PFKGVRLWTVVCRM-UHFFFAOYSA-N 1 1 320.349 2.053 20 5 DEBDMO C[C@@H](NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000896317106 638467232 /nfs/dbraw/zinc/46/72/32/638467232.db2.gz JCIRAERFQINHMT-TYNCELHUSA-N 1 1 318.377 2.001 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000749682442 638670731 /nfs/dbraw/zinc/67/07/31/638670731.db2.gz IUZIREBRBXFALJ-HZPDHXFCSA-N 1 1 316.361 2.162 20 5 DEBDMO CC(C)Oc1nc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000896912403 639066887 /nfs/dbraw/zinc/06/68/87/639066887.db2.gz WOHLNVHADDEMDS-BLLLJJGKSA-N 1 1 320.393 2.165 20 5 DEBDMO C[C@@H]1C[C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000754025068 639374695 /nfs/dbraw/zinc/37/46/95/639374695.db2.gz OVURFUPCXFKXND-GHMZBOCLSA-N 1 1 301.350 2.280 20 5 DEBDMO Cc1nn(C[N@H+]2CCS[C@@H](C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000754883015 639489895 /nfs/dbraw/zinc/48/98/95/639489895.db2.gz PENCJHOEPGEDDI-JTQLQIEISA-N 1 1 321.406 2.433 20 5 DEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000755433234 639550966 /nfs/dbraw/zinc/55/09/66/639550966.db2.gz BMCPBWUCOQKKGU-UQRISPGASA-N 1 1 317.389 2.456 20 5 DEBDMO C[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925233273 639722775 /nfs/dbraw/zinc/72/27/75/639722775.db2.gz UFWBPDBUJONTMK-GFCCVEGCSA-N 1 1 318.377 2.145 20 5 DEBDMO C[C@H]1[C@@H](C)[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000841688739 650540695 /nfs/dbraw/zinc/54/06/95/650540695.db2.gz GQYRKODTZKEHGK-GMTAPVOTSA-N 1 1 305.334 2.437 20 5 DEBDMO C[N@H+](CCc1ccccc1F)CCn1cc([N+](=O)[O-])ccc1=O ZINC000761670579 640334781 /nfs/dbraw/zinc/33/47/81/640334781.db2.gz YSNROLODQXTAIX-UHFFFAOYSA-N 1 1 319.336 2.070 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000766557439 640894585 /nfs/dbraw/zinc/89/45/85/640894585.db2.gz VLXYWCCQBYSPDS-WDEREUQCSA-N 1 1 309.341 2.289 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000766557439 640894587 /nfs/dbraw/zinc/89/45/87/640894587.db2.gz VLXYWCCQBYSPDS-WDEREUQCSA-N 1 1 309.341 2.289 20 5 DEBDMO CN(C)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cc[nH+]1 ZINC000766584748 640896252 /nfs/dbraw/zinc/89/62/52/640896252.db2.gz ONPPLPYRKOASNR-UHFFFAOYSA-N 1 1 304.281 2.447 20 5 DEBDMO 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C[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000159880418 684322214 /nfs/dbraw/zinc/32/22/14/684322214.db2.gz CFHQUGQARBBKFY-MNOVXSKESA-N 1 1 305.334 2.438 20 5 DEBDMO C[C@@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000159880418 684322221 /nfs/dbraw/zinc/32/22/21/684322221.db2.gz CFHQUGQARBBKFY-MNOVXSKESA-N 1 1 305.334 2.438 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCc3c(O)cccc3C2)cc1 ZINC000859946695 685859905 /nfs/dbraw/zinc/85/99/05/685859905.db2.gz NFDFVPKTILSFLD-QGZVFWFLSA-N 1 1 314.341 2.392 20 5 DEBDMO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000860054628 685876629 /nfs/dbraw/zinc/87/66/29/685876629.db2.gz MDHVGVDLXJIAQQ-SNVBAGLBSA-N 1 1 320.374 2.365 20 5 DEBDMO Cc1c[nH+]cn1CC(=O)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000860648197 685947601 /nfs/dbraw/zinc/94/76/01/685947601.db2.gz MYUKPXQYGHOEPW-UHFFFAOYSA-N 1 1 321.358 2.435 20 5 DEBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000861343092 686049834 /nfs/dbraw/zinc/04/98/34/686049834.db2.gz YNGVXBYLZYKWEN-WBMJQRKESA-N 1 1 322.361 2.169 20 5 DEBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)cc1 ZINC000929954699 694058644 /nfs/dbraw/zinc/05/86/44/694058644.db2.gz FEIJSPQSDLKBLL-CQSZACIVSA-N 1 1 320.393 2.105 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC[C@H]21 ZINC000866208993 687492555 /nfs/dbraw/zinc/49/25/55/687492555.db2.gz MUTRMWZQIIIZIT-DZGCQCFKSA-N 1 1 316.405 2.399 20 5 DEBDMO CC(C)Oc1nc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866208145 687492742 /nfs/dbraw/zinc/49/27/42/687492742.db2.gz IHGZTEKPZSVRCM-QWHCGFSZSA-N 1 1 320.393 2.307 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000866457605 687579427 /nfs/dbraw/zinc/57/94/27/687579427.db2.gz QXLVSNHFDXNXCW-ZYHUDNBSSA-N 1 1 321.352 2.018 20 5 DEBDMO C[C@@H]1SCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000867944540 687844694 /nfs/dbraw/zinc/84/46/94/687844694.db2.gz FCOLSLXRROUWHR-ZIBATOQPSA-N 1 1 323.418 2.121 20 5 DEBDMO C[C@@H]1CC[C@H](C)N(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867944844 687844742 /nfs/dbraw/zinc/84/47/42/687844742.db2.gz JYVUTWIQARVZRY-BFQNTYOBSA-N 1 1 305.378 2.416 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H](O)C3(O)CCC3)C2)cc1 ZINC000930635880 694207547 /nfs/dbraw/zinc/20/75/47/694207547.db2.gz AVWALMVOHSAYEG-GOEBONIOSA-N 1 1 320.389 2.050 20 5 DEBDMO C[C@@H]1C[C@@H](C)CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870854522 688668319 /nfs/dbraw/zinc/66/83/19/688668319.db2.gz IZIDOEKIFAJGJN-XHBSWPGZSA-N 1 1 305.378 2.273 20 5 DEBDMO COc1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871151273 688735748 /nfs/dbraw/zinc/73/57/48/688735748.db2.gz YAERXYMXLPVGRC-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872017418 688913803 /nfs/dbraw/zinc/91/38/03/688913803.db2.gz AZYQYSYWOCSLEO-NXEZZACHSA-N 1 1 311.407 2.492 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cnnn1C ZINC000872069975 688921859 /nfs/dbraw/zinc/92/18/59/688921859.db2.gz AXDDOEQFGJMHOW-SECBINFHSA-N 1 1 307.379 2.296 20 5 DEBDMO Cc1c(CC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874834461 689508605 /nfs/dbraw/zinc/50/86/05/689508605.db2.gz SDAGNRIHXZKPOO-JKSUJKDBSA-N 1 1 317.389 2.141 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874849337 689518249 /nfs/dbraw/zinc/51/82/49/689518249.db2.gz JJRDAZGAIRJCRR-UONOGXRCSA-N 1 1 303.362 2.212 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000931057509 694305949 /nfs/dbraw/zinc/30/59/49/694305949.db2.gz PEDNBOBSQVIEPW-IUODEOHRSA-N 1 1 318.377 2.379 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000931058324 694305987 /nfs/dbraw/zinc/30/59/87/694305987.db2.gz WQVARUNYMXKMRH-RYUDHWBXSA-N 1 1 306.366 2.426 20 5 DEBDMO CO[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878047148 690293264 /nfs/dbraw/zinc/29/32/64/690293264.db2.gz OHEHWGKAHRWWEM-NSHDSACASA-N 1 1 318.333 2.256 20 5 DEBDMO CO[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878047148 690293269 /nfs/dbraw/zinc/29/32/69/690293269.db2.gz OHEHWGKAHRWWEM-NSHDSACASA-N 1 1 318.333 2.256 20 5 DEBDMO C[N@H+]1C[C@@]2(C)CN(CCOc3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931305692 694361389 /nfs/dbraw/zinc/36/13/89/694361389.db2.gz HBBIKPAOPUPFED-CALCHBBNSA-N 1 1 319.405 2.247 20 5 DEBDMO C[N@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000878840122 690510840 /nfs/dbraw/zinc/51/08/40/690510840.db2.gz KNZFVJFCWHKCSN-JKSUJKDBSA-N 1 1 321.421 2.290 20 5 DEBDMO CN1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000878840122 690510843 /nfs/dbraw/zinc/51/08/43/690510843.db2.gz KNZFVJFCWHKCSN-JKSUJKDBSA-N 1 1 321.421 2.290 20 5 DEBDMO CN1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000878840122 690510844 /nfs/dbraw/zinc/51/08/44/690510844.db2.gz KNZFVJFCWHKCSN-JKSUJKDBSA-N 1 1 321.421 2.290 20 5 DEBDMO C[N@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000878840563 690511710 /nfs/dbraw/zinc/51/17/10/690511710.db2.gz OGPQVXJPRUVOBR-HZPDHXFCSA-N 1 1 321.421 2.290 20 5 DEBDMO CN1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000878840563 690511714 /nfs/dbraw/zinc/51/17/14/690511714.db2.gz OGPQVXJPRUVOBR-HZPDHXFCSA-N 1 1 321.421 2.290 20 5 DEBDMO CN1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000878840563 690511718 /nfs/dbraw/zinc/51/17/18/690511718.db2.gz OGPQVXJPRUVOBR-HZPDHXFCSA-N 1 1 321.421 2.290 20 5 DEBDMO CO[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000879262344 690605754 /nfs/dbraw/zinc/60/57/54/690605754.db2.gz VCCNQFLLQCEGCP-BXUZGUMPSA-N 1 1 314.769 2.220 20 5 DEBDMO CO[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000879262344 690605756 /nfs/dbraw/zinc/60/57/56/690605756.db2.gz VCCNQFLLQCEGCP-BXUZGUMPSA-N 1 1 314.769 2.220 20 5 DEBDMO O=C(C[N@@H+]1CC[C@H]2CSC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000879558533 690670519 /nfs/dbraw/zinc/67/05/19/690670519.db2.gz KBOWZAKRDZLPPK-RYUDHWBXSA-N 1 1 321.402 2.218 20 5 DEBDMO O=C(C[N@H+]1CC[C@H]2CSC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000879558533 690670523 /nfs/dbraw/zinc/67/05/23/690670523.db2.gz KBOWZAKRDZLPPK-RYUDHWBXSA-N 1 1 321.402 2.218 20 5 DEBDMO COc1ccc(OCC[N@H+]2C[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000879618798 690689193 /nfs/dbraw/zinc/68/91/93/690689193.db2.gz CSDGNCDXAJXZNB-LBPRGKRZSA-N 1 1 324.377 2.075 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000880136784 690816328 /nfs/dbraw/zinc/81/63/28/690816328.db2.gz SDXYQTDDFDNUJM-CABCVRRESA-N 1 1 315.377 2.140 20 5 DEBDMO CC(C)(O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000880148172 690824320 /nfs/dbraw/zinc/82/43/20/690824320.db2.gz SMLJHWWJJPHBFL-JTQLQIEISA-N 1 1 304.350 2.064 20 5 DEBDMO CC(C)(O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000880148172 690824323 /nfs/dbraw/zinc/82/43/23/690824323.db2.gz SMLJHWWJJPHBFL-JTQLQIEISA-N 1 1 304.350 2.064 20 5 DEBDMO COCC1([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000880188257 690834271 /nfs/dbraw/zinc/83/42/71/690834271.db2.gz WWSNLNUSKNWLCK-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO COCC1([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000880188257 690834275 /nfs/dbraw/zinc/83/42/75/690834275.db2.gz WWSNLNUSKNWLCK-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880323701 690869950 /nfs/dbraw/zinc/86/99/50/690869950.db2.gz UXANLTACGDNCMC-NSHDSACASA-N 1 1 307.379 2.046 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000880608646 690940913 /nfs/dbraw/zinc/94/09/13/690940913.db2.gz GTLMNZVACRXATG-TXEJJXNPSA-N 1 1 320.393 2.040 20 5 DEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000931495353 694413141 /nfs/dbraw/zinc/41/31/41/694413141.db2.gz JGHXLZLDNUNTRW-WFASDCNBSA-N 1 1 318.377 2.325 20 5 DEBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882270749 691249235 /nfs/dbraw/zinc/24/92/35/691249235.db2.gz DHIBTMZRFSGSNA-SNVBAGLBSA-N 1 1 305.313 2.246 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000882490465 691295886 /nfs/dbraw/zinc/29/58/86/691295886.db2.gz PPMKKSBSUHZIJQ-ZYHUDNBSSA-N 1 1 309.341 2.048 20 5 DEBDMO COC1(OC)CCOC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000931665684 694450771 /nfs/dbraw/zinc/45/07/71/694450771.db2.gz AODDZXNBXOVJCZ-RISCZKNCSA-N 1 1 310.350 2.023 20 5 DEBDMO COC1(OC)CCOC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000931670864 694451544 /nfs/dbraw/zinc/45/15/44/694451544.db2.gz RWXRPNHGJOSAPV-SMDDNHRTSA-N 1 1 310.350 2.023 20 5 DEBDMO O=[N+]([O-])c1c(NCC[N@@H+]2CC[C@H](O)C2)cccc1C(F)(F)F ZINC000884568066 691764431 /nfs/dbraw/zinc/76/44/31/691764431.db2.gz AFYKLCJWFRODQS-VIFPVBQESA-N 1 1 319.283 2.092 20 5 DEBDMO Cc1nccc([C@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC000885961497 691972300 /nfs/dbraw/zinc/97/23/00/691972300.db2.gz ZEKQXLYHAOKEEE-ZDUSSCGKSA-N 1 1 313.361 2.468 20 5 DEBDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC000885961497 691972301 /nfs/dbraw/zinc/97/23/01/691972301.db2.gz ZEKQXLYHAOKEEE-ZDUSSCGKSA-N 1 1 313.361 2.468 20 5 DEBDMO Cc1nc([C@@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000931947741 694513200 /nfs/dbraw/zinc/51/32/00/694513200.db2.gz UOLUVYVPGBNPHK-GFCCVEGCSA-N 1 1 318.333 2.155 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c1C ZINC000889716195 692770596 /nfs/dbraw/zinc/77/05/96/692770596.db2.gz OEFCWMRFMCKLKO-VXGBXAGGSA-N 1 1 305.378 2.376 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCC(C)(C)C2)c1 ZINC000890079043 692856590 /nfs/dbraw/zinc/85/65/90/692856590.db2.gz QEKAWYWSPQDICU-UHFFFAOYSA-N 1 1 321.377 2.065 20 5 DEBDMO Cc1noc(C[NH+]2CCC(c3ccn(C)n3)CC2)c1[N+](=O)[O-] ZINC000932141221 694558998 /nfs/dbraw/zinc/55/89/98/694558998.db2.gz HYUHTXCUPRFRKJ-UHFFFAOYSA-N 1 1 305.338 2.004 20 5 DEBDMO Cn1nccc1[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000932266562 694583341 /nfs/dbraw/zinc/58/33/41/694583341.db2.gz BGBFWTBRVJSWPY-HOTGVXAUSA-N 1 1 316.361 2.199 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000932308993 694590318 /nfs/dbraw/zinc/59/03/18/694590318.db2.gz AUQCATYYAUQSBV-DAXOMENPSA-N 1 1 317.389 2.156 20 5 DEBDMO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000932441504 694616352 /nfs/dbraw/zinc/61/63/52/694616352.db2.gz YOWQZHKOYQVJKC-CQSZACIVSA-N 1 1 305.378 2.474 20 5 DEBDMO CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000932441504 694616357 /nfs/dbraw/zinc/61/63/57/694616357.db2.gz YOWQZHKOYQVJKC-CQSZACIVSA-N 1 1 305.378 2.474 20 5 DEBDMO CC[N@@H+](CCC(N)=O)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000932481040 694623005 /nfs/dbraw/zinc/62/30/05/694623005.db2.gz PYZDYKNINLAVDN-UHFFFAOYSA-N 1 1 309.366 2.079 20 5 DEBDMO C[N@H+]1CC[C@](O)(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001335274102 1150392120 /nfs/dbraw/zinc/39/21/20/1150392120.db2.gz OOGDPBVZNOCCBV-LBPRGKRZSA-N 1 1 319.283 2.092 20 5 DEBDMO COCC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001353244293 1151819651 /nfs/dbraw/zinc/81/96/51/1151819651.db2.gz ASWRICVYVVRGBC-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO O=C(N[C@@]12CC[N@@H+](C1)CCC2)c1cc([N+](=O)[O-])ccc1Cl ZINC001438605959 1180657344 /nfs/dbraw/zinc/65/73/44/1180657344.db2.gz AUWOHQZSKHPQRR-AWEZNQCLSA-N 1 1 309.753 2.216 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001347715805 1151092293 /nfs/dbraw/zinc/09/22/93/1151092293.db2.gz JXSXJTZTSAZKBL-OSAQELSMSA-N 1 1 318.377 2.365 20 5 DEBDMO C[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C[N@H+]1C ZINC001164640698 719169245 /nfs/dbraw/zinc/16/92/45/719169245.db2.gz VMFRKBXMZWBMHA-MNOVXSKESA-N 1 1 301.350 2.067 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001164631794 719250496 /nfs/dbraw/zinc/25/04/96/719250496.db2.gz GDYIVAJNLUKVLF-GHMZBOCLSA-N 1 1 301.350 2.067 20 5 DEBDMO CCOC(=O)COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001167178988 776751684 /nfs/dbraw/zinc/75/16/84/776751684.db2.gz RCMYENMHHDCLGB-UHFFFAOYSA-N 1 1 324.377 2.385 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)[C@@H](C)C1 ZINC001126340631 778766008 /nfs/dbraw/zinc/76/60/08/778766008.db2.gz SYVJMMAAGNSRGF-NHYWBVRUSA-N 1 1 320.393 2.101 20 5 DEBDMO CCOC(=O)[C@]1(C)CCCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169012366 785003177 /nfs/dbraw/zinc/00/31/77/785003177.db2.gz PXFUHXSDWGPHBK-IJEWVQPXSA-N 1 1 312.410 2.487 20 5 DEBDMO CCc1noc([C@@H]2CCC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169038892 785013190 /nfs/dbraw/zinc/01/31/90/785013190.db2.gz LEDSRKCNGYTWCT-JHJVBQTASA-N 1 1 308.382 2.257 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC(Oc3ccc(F)c(F)c3)C2)C1 ZINC001169025000 785018843 /nfs/dbraw/zinc/01/88/43/785018843.db2.gz IKIJVCVIYCLUOT-QWRGUYRKSA-N 1 1 312.316 2.473 20 5 DEBDMO Cc1cccnc1N1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169025498 785018859 /nfs/dbraw/zinc/01/88/59/785018859.db2.gz JOHCEWJNOCMWNM-JKSUJKDBSA-N 1 1 318.421 2.348 20 5 DEBDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047007 785021802 /nfs/dbraw/zinc/02/18/02/785021802.db2.gz PKTVCWMQXCIZQK-QWHCGFSZSA-N 1 1 315.414 2.278 20 5 DEBDMO C[N@@H+](CC(=O)OCc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169052505 785023221 /nfs/dbraw/zinc/02/32/21/785023221.db2.gz GIKZAGOJCWDOHC-HUUCEWRRSA-N 1 1 306.362 2.107 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170353406 786916955 /nfs/dbraw/zinc/91/69/55/786916955.db2.gz XSSDDJYMHOHGAM-SCRDCRAPSA-N 1 1 308.378 2.380 20 5 DEBDMO CCC[N@@H+](C)CC(=O)N(C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC001101705842 793330555 /nfs/dbraw/zinc/33/05/55/793330555.db2.gz ZSINOPQEOSBUGM-UHFFFAOYSA-N 1 1 322.409 2.115 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H](F)C[C@H](CO)C1)CC2 ZINC001172908882 793525295 /nfs/dbraw/zinc/52/52/95/793525295.db2.gz PBYJIYGIJOFNBH-VBNZEHGJSA-N 1 1 322.380 2.495 20 5 DEBDMO CN1CC2(C1)CC[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172922553 793533369 /nfs/dbraw/zinc/53/33/69/793533369.db2.gz YPUSVWSFSIYGDN-MRXNPFEDSA-N 1 1 315.417 2.480 20 5 DEBDMO CCN1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172921903 793533581 /nfs/dbraw/zinc/53/35/81/793533581.db2.gz VNRSMHIORXWVBG-HNNXBMFYSA-N 1 1 317.389 2.006 20 5 DEBDMO CCN1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172921903 793533588 /nfs/dbraw/zinc/53/35/88/793533588.db2.gz VNRSMHIORXWVBG-HNNXBMFYSA-N 1 1 317.389 2.006 20 5 DEBDMO C[C@H]1C(=O)N(C)CC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922589 793533649 /nfs/dbraw/zinc/53/36/49/793533649.db2.gz ZBCNBMAVUVOHFG-WFASDCNBSA-N 1 1 317.389 2.005 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@H](F)C[C@H]1CO)CC2 ZINC001172910415 793542751 /nfs/dbraw/zinc/54/27/51/793542751.db2.gz ZFHRLVGNXQORBX-YCPHGPKFSA-N 1 1 308.353 2.247 20 5 DEBDMO COC[C@@H]1COCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912694 793544225 /nfs/dbraw/zinc/54/42/25/793544225.db2.gz LIWPVROSLBNRDU-NVXWUHKLSA-N 1 1 320.389 2.189 20 5 DEBDMO COC(=O)[C@@]1(F)CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173224766 793641826 /nfs/dbraw/zinc/64/18/26/793641826.db2.gz GZKYCXYIJDVSFF-XHDPSFHLSA-N 1 1 310.325 2.113 20 5 DEBDMO COC(=O)[C@@]1(F)CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173224766 793641831 /nfs/dbraw/zinc/64/18/31/793641831.db2.gz GZKYCXYIJDVSFF-XHDPSFHLSA-N 1 1 310.325 2.113 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001173232390 793644489 /nfs/dbraw/zinc/64/44/89/793644489.db2.gz FUKPXNXMOIENJM-BBRMVZONSA-N 1 1 315.377 2.454 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001173233696 793646558 /nfs/dbraw/zinc/64/65/58/793646558.db2.gz MEBSOKZXNYXIEZ-WFASDCNBSA-N 1 1 305.378 2.078 20 5 DEBDMO CC[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001175248907 794164730 /nfs/dbraw/zinc/16/47/30/794164730.db2.gz FFFMQQBYNKQYCR-AWEZNQCLSA-N 1 1 309.322 2.240 20 5 DEBDMO CC[C@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001175248907 794164734 /nfs/dbraw/zinc/16/47/34/794164734.db2.gz FFFMQQBYNKQYCR-AWEZNQCLSA-N 1 1 309.322 2.240 20 5 DEBDMO CC(C)(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178463546 794930447 /nfs/dbraw/zinc/93/04/47/794930447.db2.gz HEPSXAWOJZJAKQ-ZIAGYGMSSA-N 1 1 313.442 2.354 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CC=CC2)cc1Cl ZINC001117936251 795127851 /nfs/dbraw/zinc/12/78/51/795127851.db2.gz RYQFSQVAQLRKEN-UHFFFAOYSA-N 1 1 309.753 2.158 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC001119384742 795294715 /nfs/dbraw/zinc/29/47/15/795294715.db2.gz BINJJZUDTBXAKW-SNVBAGLBSA-N 1 1 310.329 2.292 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001119386494 795295603 /nfs/dbraw/zinc/29/56/03/795295603.db2.gz KAQYECUYBLLMAJ-NSHDSACASA-N 1 1 310.329 2.292 20 5 DEBDMO CC1(C)CC(=O)NCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC001119515277 795316489 /nfs/dbraw/zinc/31/64/89/795316489.db2.gz BEWOOWHHLOGPEY-ALCCZGGFSA-N 1 1 303.362 2.209 20 5 DEBDMO CC1(C)CC(=O)NCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC001119515277 795316496 /nfs/dbraw/zinc/31/64/96/795316496.db2.gz BEWOOWHHLOGPEY-ALCCZGGFSA-N 1 1 303.362 2.209 20 5 DEBDMO C[C@H](C[NH+]1CCC(C)CC1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120573305 795488598 /nfs/dbraw/zinc/48/85/98/795488598.db2.gz CAULDPOFCGPFSK-PBHICJAKSA-N 1 1 321.421 2.338 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC001187445375 796537700 /nfs/dbraw/zinc/53/77/00/796537700.db2.gz ITZCLRRANULRKO-PHIMTYICSA-N 1 1 308.338 2.422 20 5 DEBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])CC2 ZINC001152578428 797208219 /nfs/dbraw/zinc/20/82/19/797208219.db2.gz VZLSCNIGPOXVBD-UHFFFAOYSA-N 1 1 321.352 2.434 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246195719 798144613 /nfs/dbraw/zinc/14/46/13/798144613.db2.gz AERPTUKRQVGGNM-LRDDRELGSA-N 1 1 316.361 2.403 20 5 DEBDMO CN(CC[N@@H+](C)Cc1ccccc1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001157556398 798229458 /nfs/dbraw/zinc/22/94/58/798229458.db2.gz DJVCQBKHRIJORT-UHFFFAOYSA-N 1 1 315.377 2.140 20 5 DEBDMO O=C(NCCC[NH2+]CCC1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767880 798274326 /nfs/dbraw/zinc/27/43/26/798274326.db2.gz ZQDIXRACRAOJAD-HUUCEWRRSA-N 1 1 311.426 2.108 20 5 DEBDMO COc1cc(C)nc(N2CC[N@@H+](C)CC23CCCC3)c1[N+](=O)[O-] ZINC001158408897 798402623 /nfs/dbraw/zinc/40/26/23/798402623.db2.gz QGPRWBJRSPTYHJ-UHFFFAOYSA-N 1 1 320.393 2.371 20 5 DEBDMO Cc1oncc1CNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001162275038 799047230 /nfs/dbraw/zinc/04/72/30/799047230.db2.gz UWKSCJKYONXWDU-UHFFFAOYSA-N 1 1 302.334 2.491 20 5 DEBDMO Cc1oncc1CNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001162275038 799047238 /nfs/dbraw/zinc/04/72/38/799047238.db2.gz UWKSCJKYONXWDU-UHFFFAOYSA-N 1 1 302.334 2.491 20 5 DEBDMO COc1cc(NCC[C@@H]2CC[NH2+]CC2(F)F)ncc1[N+](=O)[O-] ZINC001162809908 799180928 /nfs/dbraw/zinc/18/09/28/799180928.db2.gz GMCMAUYOJYFJBV-VIFPVBQESA-N 1 1 316.308 2.045 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC001164177066 799532679 /nfs/dbraw/zinc/53/26/79/799532679.db2.gz MZEITXRMOZMTRX-CMPLNLGQSA-N 1 1 307.350 2.194 20 5 DEBDMO [NH3+][C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CCC1(F)F ZINC001164322806 799571594 /nfs/dbraw/zinc/57/15/94/799571594.db2.gz FJSHHFSTVPFBKD-LBPRGKRZSA-N 1 1 308.288 2.316 20 5 DEBDMO O=C(NCCC1(C[NH2+]CCC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494814 799609342 /nfs/dbraw/zinc/60/93/42/799609342.db2.gz UETDPHKSXVTACE-HUUCEWRRSA-N 1 1 323.437 2.108 20 5 DEBDMO O=C1NCCC2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)O1 ZINC000932761171 799925248 /nfs/dbraw/zinc/92/52/48/799925248.db2.gz BLVIULXIOULMLU-UHFFFAOYSA-N 1 1 323.324 2.198 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000933486409 800107788 /nfs/dbraw/zinc/10/77/88/800107788.db2.gz PPOZVSORAYJKIN-LBPRGKRZSA-N 1 1 323.418 2.483 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2C[C@H]2CCCO2)cc1 ZINC000933672523 800157665 /nfs/dbraw/zinc/15/76/65/800157665.db2.gz BCZRSBJFKHQGOG-DLBZAZTESA-N 1 1 320.389 2.407 20 5 DEBDMO C[C@]12CSC[C@H]1C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000934770956 800450528 /nfs/dbraw/zinc/45/05/28/800450528.db2.gz NZDBVVBPNWYEIK-YUELXQCFSA-N 1 1 308.403 2.313 20 5 DEBDMO COC(=O)c1c(CO[C@@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001223295169 802779425 /nfs/dbraw/zinc/77/94/25/802779425.db2.gz QSTYXZXZXLKBMW-CYBMUJFWSA-N 1 1 322.361 2.381 20 5 DEBDMO COC(=O)c1ccc(CO[C@@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001223412794 802788183 /nfs/dbraw/zinc/78/81/83/802788183.db2.gz FUGGEUODGTYGCD-CQSZACIVSA-N 1 1 322.361 2.382 20 5 DEBDMO COC(=O)[C@@H](O[C@@H]1CCC[N@@H+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001223645049 802805571 /nfs/dbraw/zinc/80/55/71/802805571.db2.gz ZKDNWAJPZXJBLP-DOMZBBRYSA-N 1 1 322.361 2.310 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CO[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001224704850 802896190 /nfs/dbraw/zinc/89/61/90/802896190.db2.gz CCUOWFUXQYJLGE-XJKSGUPXSA-N 1 1 322.361 2.234 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cccnc1C[NH+](C)C ZINC001225278520 802950157 /nfs/dbraw/zinc/95/01/57/802950157.db2.gz OYLCHYWGGQXKIT-LLVKDONJSA-N 1 1 319.365 2.024 20 5 DEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001226530689 803120366 /nfs/dbraw/zinc/12/03/66/803120366.db2.gz FUTBWSPDLKBVAV-LBPRGKRZSA-N 1 1 301.302 2.388 20 5 DEBDMO C[N@H+]1CCC[C@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001227097255 803201292 /nfs/dbraw/zinc/20/12/92/803201292.db2.gz YSDXPLGRUZRAMD-NSHDSACASA-N 1 1 318.333 2.107 20 5 DEBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](CF)C2)nc1-c1ccccn1 ZINC001331037413 1149366160 /nfs/dbraw/zinc/36/61/60/1149366160.db2.gz UNUBYAVGLSUIPQ-NSHDSACASA-N 1 1 305.313 2.102 20 5 DEBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@H](CF)C2)nc1-c1ccccn1 ZINC001331037413 1149366162 /nfs/dbraw/zinc/36/61/62/1149366162.db2.gz UNUBYAVGLSUIPQ-NSHDSACASA-N 1 1 305.313 2.102 20 5 DEBDMO C[C@H]1C[C@@H](C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)CC[N@H+]1C ZINC001331324856 1149419684 /nfs/dbraw/zinc/41/96/84/1149419684.db2.gz FYPPCCSQGJOWBM-QWRGUYRKSA-N 1 1 321.352 2.353 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335439444 1150416307 /nfs/dbraw/zinc/41/63/07/1150416307.db2.gz DDGSQTVJVYINGT-XJKSGUPXSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335439444 1150416314 /nfs/dbraw/zinc/41/63/14/1150416314.db2.gz DDGSQTVJVYINGT-XJKSGUPXSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335439444 1150416326 /nfs/dbraw/zinc/41/63/26/1150416326.db2.gz DDGSQTVJVYINGT-XJKSGUPXSA-N 1 1 321.421 2.338 20 5 DEBDMO CC[C@@H](C)C[N@@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604004238 1070172451 /nfs/dbraw/zinc/17/24/51/1070172451.db2.gz OTRGQHYCSVSJQL-SNVBAGLBSA-N 1 1 304.354 2.253 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)n1 ZINC001452611917 1057118572 /nfs/dbraw/zinc/11/85/72/1057118572.db2.gz RMFWRMBGMRSVDZ-CQSZACIVSA-N 1 1 320.393 2.101 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)n1 ZINC001452611917 1057118578 /nfs/dbraw/zinc/11/85/78/1057118578.db2.gz RMFWRMBGMRSVDZ-CQSZACIVSA-N 1 1 320.393 2.101 20 5 DEBDMO C[NH+](C)C1(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)CC1 ZINC001457897341 1058037704 /nfs/dbraw/zinc/03/77/04/1058037704.db2.gz MOTSOWUMJWBGKX-UHFFFAOYSA-N 1 1 315.333 2.018 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001465980270 1059397786 /nfs/dbraw/zinc/39/77/86/1059397786.db2.gz WHUIYLVZEWWNPO-NSHDSACASA-N 1 1 322.365 2.161 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC001472450425 1060510057 /nfs/dbraw/zinc/51/00/57/1060510057.db2.gz JXZZTYWIWLDEOY-CYBMUJFWSA-N 1 1 305.378 2.378 20 5 DEBDMO C[N@H+]1CC[C@@H]1CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001472883528 1060602915 /nfs/dbraw/zinc/60/29/15/1060602915.db2.gz XZVWSVGFLFIEQK-SNVBAGLBSA-N 1 1 306.753 2.334 20 5 DEBDMO Cn1cc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC001612525492 1078110910 /nfs/dbraw/zinc/11/09/10/1078110910.db2.gz LPRIYRGYBPIAFJ-KGLIPLIRSA-N 1 1 315.377 2.086 20 5 DEBDMO C[C@@H]1[C@H](C)CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001576761452 1066681423 /nfs/dbraw/zinc/68/14/23/1066681423.db2.gz ZMWHHOFNJYASQD-LSSIXWDNSA-N 1 1 305.378 2.272 20 5 DEBDMO Cc1ccc(COC(=O)c2csc(C[NH3+])n2)cc1[N+](=O)[O-] ZINC001579696794 1067406331 /nfs/dbraw/zinc/40/63/31/1067406331.db2.gz FWNGTHKCDHDIPW-UHFFFAOYSA-N 1 1 307.331 2.175 20 5 DEBDMO C[C@H]1Cc2n[nH]cc2C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001620582326 1067507747 /nfs/dbraw/zinc/50/77/47/1067507747.db2.gz GLGVRGQWXNAUHE-MEDUHNTESA-N 1 1 316.361 2.046 20 5 DEBDMO CC[N@@H+]1CC[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001642005129 1078738671 /nfs/dbraw/zinc/73/86/71/1078738671.db2.gz VMNQITOVPRZUBU-JTQLQIEISA-N 1 1 315.732 2.098 20 5 DEBDMO CC[N@H+]1CC[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001642005129 1078738677 /nfs/dbraw/zinc/73/86/77/1078738677.db2.gz VMNQITOVPRZUBU-JTQLQIEISA-N 1 1 315.732 2.098 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001514830252 1068789648 /nfs/dbraw/zinc/78/96/48/1068789648.db2.gz RDBOZGLWJSTUSC-CYBMUJFWSA-N 1 1 305.378 2.426 20 5 DEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001544368147 1072532220 /nfs/dbraw/zinc/53/22/20/1072532220.db2.gz RKHMYYYBCJQGDU-UHFFFAOYSA-N 1 1 317.349 2.013 20 5 DEBDMO Cc1ccc(NCCNC(=O)c2c(F)cccc2[N+](=O)[O-])[nH+]c1 ZINC001558488471 1075096080 /nfs/dbraw/zinc/09/60/80/1075096080.db2.gz JZYAXHMQUXSJRT-UHFFFAOYSA-N 1 1 318.308 2.279 20 5 DEBDMO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C)cc1C ZINC001559285632 1075118569 /nfs/dbraw/zinc/11/85/69/1075118569.db2.gz VXBRIKRFOVONOL-LLVKDONJSA-N 1 1 307.350 2.196 20 5 DEBDMO Cc1cccnc1[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001560221336 1075134212 /nfs/dbraw/zinc/13/42/12/1075134212.db2.gz SHJYVGJYQLJTJF-LLVKDONJSA-N 1 1 314.345 2.248 20 5 DEBDMO Cc1ccc(CNC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC001560363766 1075138706 /nfs/dbraw/zinc/13/87/06/1075138706.db2.gz HLFSEFWMMJSRHG-OAHLLOKOSA-N 1 1 309.435 2.430 20 5 DEBDMO CC/C(C)=C/C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001267680439 1079369414 /nfs/dbraw/zinc/36/94/14/1079369414.db2.gz LYWHRJJEFXPBPD-MDWZMJQESA-N 1 1 317.389 2.499 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001586892353 1076407641 /nfs/dbraw/zinc/40/76/41/1076407641.db2.gz GBABHYJJSRVLSE-ZDUSSCGKSA-N 1 1 321.377 2.118 20 5 DEBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590191053 1076580349 /nfs/dbraw/zinc/58/03/49/1076580349.db2.gz OQJRJDZAJUXCID-NXEZZACHSA-N 1 1 302.338 2.005 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001620945182 1077050449 /nfs/dbraw/zinc/05/04/49/1077050449.db2.gz WSCDKBQSAYOIRA-VXGBXAGGSA-N 1 1 321.377 2.206 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001597026764 1077087483 /nfs/dbraw/zinc/08/74/83/1077087483.db2.gz VLZAWVCAYWCBDP-JTQLQIEISA-N 1 1 311.769 2.320 20 5 DEBDMO Cc1[nH]c(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c(C)[nH+]1 ZINC001652316477 1079868566 /nfs/dbraw/zinc/86/85/66/1079868566.db2.gz UPKQSAQFPRCICW-UHFFFAOYSA-N 1 1 313.317 2.346 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCCC34OCCO4)nc2c1 ZINC001653246391 1079921021 /nfs/dbraw/zinc/92/10/21/1079921021.db2.gz METCIUDEUPHJCI-ZDUSSCGKSA-N 1 1 319.317 2.121 20 5 DEBDMO CC[N@@H+](CCNC(=O)C=C(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001663355916 1080736372 /nfs/dbraw/zinc/73/63/72/1080736372.db2.gz ZVUKFZDJFZLPRG-UHFFFAOYSA-N 1 1 305.378 2.499 20 5 DEBDMO COC[C@@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC001168533294 1083473648 /nfs/dbraw/zinc/47/36/48/1083473648.db2.gz YFFWWGFJMYMRNQ-GFCCVEGCSA-N 1 1 318.333 2.159 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC001292799627 1138867432 /nfs/dbraw/zinc/86/74/32/1138867432.db2.gz KHPCGOVTCDAKEO-GFCCVEGCSA-N 1 1 323.393 2.454 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC001322209672 1141458373 /nfs/dbraw/zinc/45/83/73/1141458373.db2.gz IQDKPXNJMRCNLB-SMDDNHRTSA-N 1 1 318.377 2.103 20 5 DEBDMO C[N@@H+]1CCCC[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247755365 1141492127 /nfs/dbraw/zinc/49/21/27/1141492127.db2.gz WAYIOYUCYYGIPP-SECBINFHSA-N 1 1 307.285 2.336 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247755365 1141492146 /nfs/dbraw/zinc/49/21/46/1141492146.db2.gz WAYIOYUCYYGIPP-SECBINFHSA-N 1 1 307.285 2.336 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001336222967 1142381450 /nfs/dbraw/zinc/38/14/50/1142381450.db2.gz FSKKHAJXEUCIOV-CYBMUJFWSA-N 1 1 319.405 2.473 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336779374 1142568138 /nfs/dbraw/zinc/56/81/38/1142568138.db2.gz JUKXCLJLZOVICV-CJNGLKHVSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336779374 1142568151 /nfs/dbraw/zinc/56/81/51/1142568151.db2.gz JUKXCLJLZOVICV-CJNGLKHVSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336779374 1142568158 /nfs/dbraw/zinc/56/81/58/1142568158.db2.gz JUKXCLJLZOVICV-CJNGLKHVSA-N 1 1 321.421 2.338 20 5 DEBDMO Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc(C)[nH+]1 ZINC001337307888 1142725611 /nfs/dbraw/zinc/72/56/11/1142725611.db2.gz IYPDOMSPAMIDFE-UHFFFAOYSA-N 1 1 315.285 2.010 20 5 DEBDMO CCc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC001337834549 1142804622 /nfs/dbraw/zinc/80/46/22/1142804622.db2.gz PXOIQPYROJILDK-RRFJBIMHSA-N 1 1 317.389 2.227 20 5 DEBDMO CC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254566396 1143250531 /nfs/dbraw/zinc/25/05/31/1143250531.db2.gz TZCUBWYLLPVGOE-BBRMVZONSA-N 1 1 319.405 2.469 20 5 DEBDMO CC[N@@H+]1C[C@H]2CN([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001254569184 1143254022 /nfs/dbraw/zinc/25/40/22/1143254022.db2.gz IXYUOKGIIBUYGS-BMFZPTHFSA-N 1 1 303.406 2.409 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@](F)(CO)CC1)C2 ZINC001254593938 1143272478 /nfs/dbraw/zinc/27/24/78/1143272478.db2.gz OEFFIGDJTTXZFD-JKSUJKDBSA-N 1 1 308.353 2.249 20 5 DEBDMO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254594367 1143272585 /nfs/dbraw/zinc/27/25/85/1143272585.db2.gz QISCMOSUKPKMLK-KMFMINBZSA-N 1 1 316.357 2.090 20 5 DEBDMO 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/nfs/dbraw/zinc/72/13/24/358721324.db2.gz JYXAXKMZZBCMPF-AWEZNQCLSA-N 1 1 301.350 2.269 20 5 DEBDMO COc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597922532 359041769 /nfs/dbraw/zinc/04/17/69/359041769.db2.gz FQVQRYIYMBWWNF-LBPRGKRZSA-N 1 1 321.377 2.206 20 5 DEBDMO COC(=O)c1ccnc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000598633230 359268491 /nfs/dbraw/zinc/26/84/91/359268491.db2.gz IRIPBOJPHQJQBR-SNVBAGLBSA-N 1 1 322.365 2.061 20 5 DEBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@H](O)C2)cc1C(F)(F)F ZINC000599203514 359433287 /nfs/dbraw/zinc/43/32/87/359433287.db2.gz VYNQEOJLVBETJY-JTQLQIEISA-N 1 1 319.283 2.092 20 5 DEBDMO COc1ccc(NC(=O)C[NH+](C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000599600457 359538238 /nfs/dbraw/zinc/53/82/38/359538238.db2.gz UMHAWOMKRHCIQL-UHFFFAOYSA-N 1 1 305.334 2.169 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600311468 359719090 /nfs/dbraw/zinc/71/90/90/359719090.db2.gz BIYPSUUKJWGOME-ZDUSSCGKSA-N 1 1 305.378 2.365 20 5 DEBDMO CN(C(=O)Cn1cc[nH+]c1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000600611696 359783612 /nfs/dbraw/zinc/78/36/12/359783612.db2.gz ULPDMYXQKOIMLJ-UHFFFAOYSA-N 1 1 300.318 2.332 20 5 DEBDMO C[C@@H](C[S@@](C)=O)N(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601142277 359938674 /nfs/dbraw/zinc/93/86/74/359938674.db2.gz PNMZLJQNNNDFCR-CHNSCGDPSA-N 1 1 307.375 2.346 20 5 DEBDMO CCO[C@@H]1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)[C@@H]1OC ZINC000601142611 359939765 /nfs/dbraw/zinc/93/97/65/359939765.db2.gz WGAHUBFDJDRFHC-OAGGEKHMSA-N 1 1 317.345 2.169 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000601332238 360010574 /nfs/dbraw/zinc/01/05/74/360010574.db2.gz GYVRGHHYGHYAOE-WCQYABFASA-N 1 1 321.352 2.290 20 5 DEBDMO CO[C@](C)(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000602475377 360392869 /nfs/dbraw/zinc/39/28/69/360392869.db2.gz VMCIMYYOBNIKLO-XJKSGUPXSA-N 1 1 320.393 2.291 20 5 DEBDMO CC[C@](C)(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602476210 360394875 /nfs/dbraw/zinc/39/48/75/360394875.db2.gz WNFCLGIQNJAPHA-IUODEOHRSA-N 1 1 308.382 2.291 20 5 DEBDMO CC[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000602661159 360482667 /nfs/dbraw/zinc/48/26/67/360482667.db2.gz JROWNZFTKOSOFM-NSHDSACASA-N 1 1 304.350 2.262 20 5 DEBDMO CCCO[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602774823 360547433 /nfs/dbraw/zinc/54/74/33/360547433.db2.gz BVZOSJKDEDJNSV-AWEZNQCLSA-N 1 1 310.398 2.381 20 5 DEBDMO CO[C@]1(C)C[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602783323 360550689 /nfs/dbraw/zinc/55/06/89/360550689.db2.gz KWIJFXZKLLUPBY-SWLSCSKDSA-N 1 1 310.398 2.235 20 5 DEBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000602835580 360579758 /nfs/dbraw/zinc/57/97/58/360579758.db2.gz ZLMOIDGWAWGVIY-ZDUSSCGKSA-N 1 1 310.398 2.379 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000602850992 360589888 /nfs/dbraw/zinc/58/98/88/360589888.db2.gz JONQBOKGKVTIFE-HNNXBMFYSA-N 1 1 316.361 2.253 20 5 DEBDMO CC[C@@]1(O)CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602983397 360653182 /nfs/dbraw/zinc/65/31/82/360653182.db2.gz JJCINONZLJQYFT-MLGOLLRUSA-N 1 1 321.377 2.159 20 5 DEBDMO CC[C@@]1(O)CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602983397 360653188 /nfs/dbraw/zinc/65/31/88/360653188.db2.gz JJCINONZLJQYFT-MLGOLLRUSA-N 1 1 321.377 2.159 20 5 DEBDMO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccco1 ZINC000602925599 360628385 /nfs/dbraw/zinc/62/83/85/360628385.db2.gz JCEDLMTXGSAYEY-HNNXBMFYSA-N 1 1 317.345 2.433 20 5 DEBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccco1 ZINC000602925599 360628389 /nfs/dbraw/zinc/62/83/89/360628389.db2.gz JCEDLMTXGSAYEY-HNNXBMFYSA-N 1 1 317.345 2.433 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000443873598 238125898 /nfs/dbraw/zinc/12/58/98/238125898.db2.gz CWBVQWYERDSIHO-QWHCGFSZSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000443873598 238125902 /nfs/dbraw/zinc/12/59/02/238125902.db2.gz CWBVQWYERDSIHO-QWHCGFSZSA-N 1 1 321.377 2.077 20 5 DEBDMO CC[NH+](CC)Cc1cn(Cc2ccc(OC)c([N+](=O)[O-])c2)nn1 ZINC000603205626 360746598 /nfs/dbraw/zinc/74/65/98/360746598.db2.gz FCHWXTBKSNMRSJ-UHFFFAOYSA-N 1 1 319.365 2.085 20 5 DEBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000609226601 361290465 /nfs/dbraw/zinc/29/04/65/361290465.db2.gz OZGJTCWGYUPYGM-AWEZNQCLSA-N 1 1 305.378 2.284 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000610281995 361379930 /nfs/dbraw/zinc/37/99/30/361379930.db2.gz ULIYQRGWSCVLDN-AWEZNQCLSA-N 1 1 315.377 2.039 20 5 DEBDMO COC[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000610615702 361432010 /nfs/dbraw/zinc/43/20/10/361432010.db2.gz BSMVXSLAROJXBH-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO COC[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000610615702 361432011 /nfs/dbraw/zinc/43/20/11/361432011.db2.gz BSMVXSLAROJXBH-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000194062631 201171809 /nfs/dbraw/zinc/17/18/09/201171809.db2.gz CBGMZPWSUREQGP-RISCZKNCSA-N 1 1 309.322 2.096 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000611185300 361543119 /nfs/dbraw/zinc/54/31/19/361543119.db2.gz NAQBYESPVYMSRE-OAHLLOKOSA-N 1 1 317.320 2.343 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000611185300 361543122 /nfs/dbraw/zinc/54/31/22/361543122.db2.gz NAQBYESPVYMSRE-OAHLLOKOSA-N 1 1 317.320 2.343 20 5 DEBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272145 361568973 /nfs/dbraw/zinc/56/89/73/361568973.db2.gz AAKGLJWEVHXFME-AAEUAGOBSA-N 1 1 322.361 2.101 20 5 DEBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000611204564 361547777 /nfs/dbraw/zinc/54/77/77/361547777.db2.gz VZRZBOSLSWBSAX-QWHCGFSZSA-N 1 1 324.450 2.119 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000275485763 212365131 /nfs/dbraw/zinc/36/51/31/212365131.db2.gz FHUSFJZDBOAEII-KGLIPLIRSA-N 1 1 321.421 2.433 20 5 DEBDMO COCC1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000093103612 193203832 /nfs/dbraw/zinc/20/38/32/193203832.db2.gz OZAFYIBBZVEBBO-UHFFFAOYSA-N 1 1 324.377 2.470 20 5 DEBDMO COc1cc(C[N@@H+](C)CC2(O)CCCC2)c([N+](=O)[O-])cc1OC ZINC000093503100 193259284 /nfs/dbraw/zinc/25/92/84/193259284.db2.gz RWUZYZZUPBDENG-UHFFFAOYSA-N 1 1 324.377 2.349 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000340991543 284194548 /nfs/dbraw/zinc/19/45/48/284194548.db2.gz MAIHXTDWACNRLX-NSHDSACASA-N 1 1 315.329 2.308 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000274898275 212018604 /nfs/dbraw/zinc/01/86/04/212018604.db2.gz ONXIYOHRNKOFAV-GFCCVEGCSA-N 1 1 306.366 2.285 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266083621 205085041 /nfs/dbraw/zinc/08/50/41/205085041.db2.gz DSUVZMPCQIKQFQ-HNNXBMFYSA-N 1 1 305.378 2.128 20 5 DEBDMO COC1(C)CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000271689405 209128213 /nfs/dbraw/zinc/12/82/13/209128213.db2.gz DYKKQMKLKYIQFA-GFCCVEGCSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288395081 220129952 /nfs/dbraw/zinc/12/99/52/220129952.db2.gz KYARYBULZGIXQH-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288395081 220129953 /nfs/dbraw/zinc/12/99/53/220129953.db2.gz KYARYBULZGIXQH-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000492341381 249043168 /nfs/dbraw/zinc/04/31/68/249043168.db2.gz MYKCLWVAEPMFMQ-RXFWDACYSA-N 1 1 303.362 2.159 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000492383892 249053093 /nfs/dbraw/zinc/05/30/93/249053093.db2.gz MHQYECFMSJYCIE-OXTPZFROSA-N 1 1 321.352 2.298 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000492973924 249184868 /nfs/dbraw/zinc/18/48/68/249184868.db2.gz PIEVSWIXMLLRNI-DANOYGIBSA-N 1 1 315.373 2.162 20 5 DEBDMO O=c1c([N+](=O)[O-])cccn1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000102203106 193868231 /nfs/dbraw/zinc/86/82/31/193868231.db2.gz CRVSPBQNWJMDKP-UHFFFAOYSA-N 1 1 304.693 2.106 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCOCC3)o2)c1 ZINC000104661293 194023161 /nfs/dbraw/zinc/02/31/61/194023161.db2.gz QQEKDNCUJSIUIW-UHFFFAOYSA-N 1 1 303.318 2.125 20 5 DEBDMO Cc1c(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000284811302 218187033 /nfs/dbraw/zinc/18/70/33/218187033.db2.gz NQDKCTGIEQDYIZ-DJIMGWMZSA-N 1 1 320.389 2.265 20 5 DEBDMO Cc1c(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000284811302 218187035 /nfs/dbraw/zinc/18/70/35/218187035.db2.gz NQDKCTGIEQDYIZ-DJIMGWMZSA-N 1 1 320.389 2.265 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109756597 194282407 /nfs/dbraw/zinc/28/24/07/194282407.db2.gz JZCMVNJQVIAMND-NEPJUHHUSA-N 1 1 304.268 2.482 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109756597 194282408 /nfs/dbraw/zinc/28/24/08/194282408.db2.gz JZCMVNJQVIAMND-NEPJUHHUSA-N 1 1 304.268 2.482 20 5 DEBDMO CCOC(=O)[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000059372821 184137755 /nfs/dbraw/zinc/13/77/55/184137755.db2.gz BIEUVQJJPUXQNS-AWEZNQCLSA-N 1 1 306.362 2.412 20 5 DEBDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000061758113 184186751 /nfs/dbraw/zinc/18/67/51/184186751.db2.gz QAWQADDKJZAWHF-GFCCVEGCSA-N 1 1 322.361 2.379 20 5 DEBDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000061758113 184186752 /nfs/dbraw/zinc/18/67/52/184186752.db2.gz QAWQADDKJZAWHF-GFCCVEGCSA-N 1 1 322.361 2.379 20 5 DEBDMO CCCC[NH+]1CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269175798 207296803 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424915126 /nfs/dbraw/zinc/91/51/26/424915126.db2.gz RORRHBUUGZMWSW-LLVKDONJSA-N 1 1 319.390 2.408 20 5 DEBDMO CCCC[N@@H+](C)CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347407149 425011525 /nfs/dbraw/zinc/01/15/25/425011525.db2.gz KYCKKKCBWXTXMB-UHFFFAOYSA-N 1 1 303.366 2.682 20 5 DEBDMO CC(C)Oc1nc(NC[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000584361618 424989760 /nfs/dbraw/zinc/98/97/60/424989760.db2.gz XHGRQRNJEJRPNX-CYBMUJFWSA-N 1 1 322.409 2.919 20 5 DEBDMO CCC[N@H+]1CC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000596516824 425026085 /nfs/dbraw/zinc/02/60/85/425026085.db2.gz HSTADTOLUWRZPC-ZDUSSCGKSA-N 1 1 300.362 3.039 20 5 DEBDMO Cc1cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000596569976 425027437 /nfs/dbraw/zinc/02/74/37/425027437.db2.gz DYDOSOBCZWNIGF-CQSZACIVSA-N 1 1 304.394 2.832 20 5 DEBDMO CCc1ccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363349771 269053107 /nfs/dbraw/zinc/05/31/07/269053107.db2.gz RYHNVHPGQWPZES-OAHLLOKOSA-N 1 1 317.389 2.468 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000363683106 269069839 /nfs/dbraw/zinc/06/98/39/269069839.db2.gz PFJVKHKBCRAZAM-ZDUSSCGKSA-N 1 1 303.362 2.342 20 5 DEBDMO CO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363683067 269070134 /nfs/dbraw/zinc/07/01/34/269070134.db2.gz BSNRFGCAHYKYOU-CHWSQXEVSA-N 1 1 321.377 2.423 20 5 DEBDMO CO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363683067 269070136 /nfs/dbraw/zinc/07/01/36/269070136.db2.gz BSNRFGCAHYKYOU-CHWSQXEVSA-N 1 1 321.377 2.423 20 5 DEBDMO CCOC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430206961 269126557 /nfs/dbraw/zinc/12/65/57/269126557.db2.gz XVUCVCDMHXQDFK-UHFFFAOYSA-N 1 1 322.361 2.379 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000430245957 269128250 /nfs/dbraw/zinc/12/82/50/269128250.db2.gz VCQVCSXKZZVVIR-OAHLLOKOSA-N 1 1 307.394 2.375 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000443505629 269138752 /nfs/dbraw/zinc/13/87/52/269138752.db2.gz AXQLKHJYCAALGX-GHMZBOCLSA-N 1 1 317.349 2.174 20 5 DEBDMO CS[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000342548776 274185959 /nfs/dbraw/zinc/18/59/59/274185959.db2.gz LSICPNIZDCGVJP-CABCVRRESA-N 1 1 309.435 2.115 20 5 DEBDMO CS[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000342548776 274185960 /nfs/dbraw/zinc/18/59/60/274185960.db2.gz LSICPNIZDCGVJP-CABCVRRESA-N 1 1 309.435 2.115 20 5 DEBDMO C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000183589169 274223009 /nfs/dbraw/zinc/22/30/09/274223009.db2.gz ASZLVCNYUQLSQB-RYUDHWBXSA-N 1 1 321.381 2.232 20 5 DEBDMO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000286760746 274360740 /nfs/dbraw/zinc/36/07/40/274360740.db2.gz SJNFAUVCUYYDGH-LLVKDONJSA-N 1 1 311.357 2.015 20 5 DEBDMO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000286760746 274360741 /nfs/dbraw/zinc/36/07/41/274360741.db2.gz SJNFAUVCUYYDGH-LLVKDONJSA-N 1 1 311.357 2.015 20 5 DEBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc1 ZINC000273202319 275040831 /nfs/dbraw/zinc/04/08/31/275040831.db2.gz RRRXQSQNYNNBII-UHFFFAOYSA-N 1 1 313.361 2.097 20 5 DEBDMO C[NH+](C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000047649039 276853983 /nfs/dbraw/zinc/85/39/83/276853983.db2.gz JZKBSMPBWUGAET-CQSZACIVSA-N 1 1 317.345 2.149 20 5 DEBDMO COCC(C)(C)[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000425273579 277481600 /nfs/dbraw/zinc/48/16/00/277481600.db2.gz BKUOSLYGHGYGII-UHFFFAOYSA-N 1 1 311.357 2.281 20 5 DEBDMO C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000176162363 279345694 /nfs/dbraw/zinc/34/56/94/279345694.db2.gz LMXINWGZGIJHMH-SECBINFHSA-N 1 1 311.769 2.461 20 5 DEBDMO CCN(C)C(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135241646 282065257 /nfs/dbraw/zinc/06/52/57/282065257.db2.gz NHFRQSFYWZFQAI-UHFFFAOYSA-N 1 1 305.378 2.428 20 5 DEBDMO C[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000575814388 326248172 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CCCC[N@@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154508618 520402371 /nfs/dbraw/zinc/40/23/71/520402371.db2.gz NIPLTVWTCKLCTG-UHFFFAOYSA-N 1 1 311.357 2.125 20 5 DEBDMO CCCCNC(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338391016 520609555 /nfs/dbraw/zinc/60/95/55/520609555.db2.gz ZJGAIUACYWITBF-UHFFFAOYSA-N 1 1 307.394 2.376 20 5 DEBDMO Cc1c(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000249418975 525704027 /nfs/dbraw/zinc/70/40/27/525704027.db2.gz WSXXDDFYPDORDF-CYBMUJFWSA-N 1 1 321.421 2.180 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000130540975 527406387 /nfs/dbraw/zinc/40/63/87/527406387.db2.gz CZJSHMMXQQNWPW-UHFFFAOYSA-N 1 1 302.334 2.262 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000366004670 527490203 /nfs/dbraw/zinc/49/02/03/527490203.db2.gz FQIZATZNGFZXBK-INIZCTEOSA-N 1 1 300.362 2.492 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000330860532 527930589 /nfs/dbraw/zinc/93/05/89/527930589.db2.gz UWTYVDRNGDYGLE-OKILXGFUSA-N 1 1 307.394 2.388 20 5 DEBDMO CC1(C)COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411190489 529131446 /nfs/dbraw/zinc/13/14/46/529131446.db2.gz YNPCVPAFVURJKU-UHFFFAOYSA-N 1 1 307.350 2.034 20 5 DEBDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000377660807 535310885 /nfs/dbraw/zinc/31/08/85/535310885.db2.gz ZYNABBRNNFJDMA-OAHLLOKOSA-N 1 1 323.349 2.343 20 5 DEBDMO CC[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854279 535914394 /nfs/dbraw/zinc/91/43/94/535914394.db2.gz XIIHNSQYJFCVOS-IKGGRYGDSA-N 1 1 319.405 2.499 20 5 DEBDMO CC[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854279 535914398 /nfs/dbraw/zinc/91/43/98/535914398.db2.gz XIIHNSQYJFCVOS-IKGGRYGDSA-N 1 1 319.405 2.499 20 5 DEBDMO C[N@H+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000492862427 536399167 /nfs/dbraw/zinc/39/91/67/536399167.db2.gz KXMZGKMKPINMPS-HJWRWDBZSA-N 1 1 303.362 2.161 20 5 DEBDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000451560745 536683496 /nfs/dbraw/zinc/68/34/96/536683496.db2.gz IGWXUUVVJRRCDE-SWLSCSKDSA-N 1 1 321.377 2.199 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000451560745 536683498 /nfs/dbraw/zinc/68/34/98/536683498.db2.gz IGWXUUVVJRRCDE-SWLSCSKDSA-N 1 1 321.377 2.199 20 5 DEBDMO CO[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451567545 536745778 /nfs/dbraw/zinc/74/57/78/536745778.db2.gz MYUUDGOJTXMWPB-WFASDCNBSA-N 1 1 321.377 2.280 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000193140200 536956136 /nfs/dbraw/zinc/95/61/36/536956136.db2.gz LWYJVDPBFVUKGK-JTQLQIEISA-N 1 1 304.350 2.496 20 5 DEBDMO C[C@@H]1C[NH+](CCN2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H](C)O1 ZINC001330547569 1149187374 /nfs/dbraw/zinc/18/73/74/1149187374.db2.gz QTIYQZKAYAQMOH-CHWSQXEVSA-N 1 1 305.378 2.020 20 5 DEBDMO Cc1c[nH+]cn1CC(=O)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC000892853238 625666082 /nfs/dbraw/zinc/66/60/82/625666082.db2.gz IVXNRTOBQIRWOU-UHFFFAOYSA-N 1 1 314.345 2.469 20 5 DEBDMO NC(CC1CC1)=[NH+]OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000742364940 623959505 /nfs/dbraw/zinc/95/95/05/623959505.db2.gz NTUXVYZZCNFHPH-UHFFFAOYSA-N 1 1 307.306 2.260 20 5 DEBDMO CC1(C)CCC(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001022064049 624188746 /nfs/dbraw/zinc/18/87/46/624188746.db2.gz SFBVAULJXDHNPM-LXTVHRRPSA-N 1 1 323.437 2.105 20 5 DEBDMO COc1ccc(OCC[N@H+](C)[C@@H]2CC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000934129549 624744138 /nfs/dbraw/zinc/74/41/38/624744138.db2.gz JIPYPHQNATWMHO-TZMCWYRMSA-N 1 1 310.350 2.091 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000892195144 624835529 /nfs/dbraw/zinc/83/55/29/624835529.db2.gz NSOZVLWZKDRGDZ-UHFFFAOYSA-N 1 1 322.361 2.312 20 5 DEBDMO C[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000892239034 624862510 /nfs/dbraw/zinc/86/25/10/624862510.db2.gz 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CCC(CC)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981763042 635633153 /nfs/dbraw/zinc/63/31/53/635633153.db2.gz CFYJIXQEZDCBGC-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO CCC(CC)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981763042 635633156 /nfs/dbraw/zinc/63/31/56/635633156.db2.gz CFYJIXQEZDCBGC-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO Cc1coc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000893940047 636070079 /nfs/dbraw/zinc/07/00/79/636070079.db2.gz NQKWFVAZNLFQSE-UHFFFAOYSA-N 1 1 302.334 2.213 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000894292494 636723974 /nfs/dbraw/zinc/72/39/74/636723974.db2.gz DAGYIERTGWQGAS-TZMCWYRMSA-N 1 1 322.361 2.452 20 5 DEBDMO C[N@H+]1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCC1(C)C ZINC000894989132 637358088 /nfs/dbraw/zinc/35/80/88/637358088.db2.gz SXSIFHDJZWROBM-UHFFFAOYSA-N 1 1 308.338 2.424 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCn1cc[nH+]c1C ZINC000895116134 637586034 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CCc1ccc(C(=O)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000746711188 638371887 /nfs/dbraw/zinc/37/18/87/638371887.db2.gz CBWRSCCFFVROLT-LBPRGKRZSA-N 1 1 305.378 2.371 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000896384205 638496253 /nfs/dbraw/zinc/49/62/53/638496253.db2.gz JMOQNWKODITSDP-KQIUPUNMSA-N 1 1 304.346 2.303 20 5 DEBDMO COc1cccc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000896522776 638563316 /nfs/dbraw/zinc/56/33/16/638563316.db2.gz LIRBVBAJWPTXBR-ZDUSSCGKSA-N 1 1 321.377 2.269 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000750075389 638709625 /nfs/dbraw/zinc/70/96/25/638709625.db2.gz XZZHQZLFBJLNIU-JTQLQIEISA-N 1 1 311.769 2.320 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000750653672 639012494 /nfs/dbraw/zinc/01/24/94/639012494.db2.gz ZLUGQIDUMBLLKT-RYUDHWBXSA-N 1 1 303.366 2.019 20 5 DEBDMO O=C1N(C[NH+]2C3CCC2CC3)CCN1c1ccccc1[N+](=O)[O-] ZINC000752786410 639220264 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BMCPBWUCOQKKGU-MBFWDRTGSA-N 1 1 317.389 2.456 20 5 DEBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000755920773 639603388 /nfs/dbraw/zinc/60/33/88/639603388.db2.gz IKIGSCJTNQEOBI-SNVBAGLBSA-N 1 1 320.324 2.470 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000756887084 639709849 /nfs/dbraw/zinc/70/98/49/639709849.db2.gz MTTNLHKJUXUSQW-IUODEOHRSA-N 1 1 316.361 2.403 20 5 DEBDMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000923983521 639721880 /nfs/dbraw/zinc/72/18/80/639721880.db2.gz SJWPECPPZDWMME-NQBHXWOUSA-N 1 1 306.366 2.048 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000758370243 639952186 /nfs/dbraw/zinc/95/21/86/639952186.db2.gz IXOAUCCQXHFUEN-SNVBAGLBSA-N 1 1 310.329 2.340 20 5 DEBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000841688744 650540756 /nfs/dbraw/zinc/54/07/56/650540756.db2.gz GQYRKODTZKEHGK-OUAUKWLOSA-N 1 1 305.334 2.437 20 5 DEBDMO 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2.250 20 5 DEBDMO O=C(OC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842350865 650715623 /nfs/dbraw/zinc/71/56/23/650715623.db2.gz WAKNISWXONXHPD-BZUAXINKSA-N 1 1 318.373 2.250 20 5 DEBDMO O=C(OC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842350865 650715624 /nfs/dbraw/zinc/71/56/24/650715624.db2.gz WAKNISWXONXHPD-BZUAXINKSA-N 1 1 318.373 2.250 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000776578262 642187450 /nfs/dbraw/zinc/18/74/50/642187450.db2.gz GBFOSUCVGLHBRH-LRDDRELGSA-N 1 1 306.362 2.129 20 5 DEBDMO COC(=O)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776586777 642188335 /nfs/dbraw/zinc/18/83/35/642188335.db2.gz PHSBWJQBISEBGF-HNNXBMFYSA-N 1 1 322.361 2.046 20 5 DEBDMO COC(=O)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776586777 642188337 /nfs/dbraw/zinc/18/83/37/642188337.db2.gz PHSBWJQBISEBGF-HNNXBMFYSA-N 1 1 322.361 2.046 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590587 642189276 /nfs/dbraw/zinc/18/92/76/642189276.db2.gz FAQVKZXSGGHPQR-WMLDXEAASA-N 1 1 321.421 2.292 20 5 DEBDMO Cc1cccc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000776590723 642189401 /nfs/dbraw/zinc/18/94/01/642189401.db2.gz HIGZTTCVVZHWMW-INIZCTEOSA-N 1 1 301.346 2.464 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000776594181 642190759 /nfs/dbraw/zinc/19/07/59/642190759.db2.gz XYFPRVGWNQHRLN-NVXWUHKLSA-N 1 1 320.389 2.377 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000778228453 642355204 /nfs/dbraw/zinc/35/52/04/642355204.db2.gz JNOISGSHFHUHNA-KGLIPLIRSA-N 1 1 302.334 2.188 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000778228453 642355210 /nfs/dbraw/zinc/35/52/10/642355210.db2.gz JNOISGSHFHUHNA-KGLIPLIRSA-N 1 1 302.334 2.188 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000778228466 642356328 /nfs/dbraw/zinc/35/63/28/642356328.db2.gz JNOISGSHFHUHNA-ZIAGYGMSSA-N 1 1 302.334 2.188 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000778228466 642356331 /nfs/dbraw/zinc/35/63/31/642356331.db2.gz JNOISGSHFHUHNA-ZIAGYGMSSA-N 1 1 302.334 2.188 20 5 DEBDMO COc1ccc(C[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1F ZINC000779480165 642504753 /nfs/dbraw/zinc/50/47/53/642504753.db2.gz RMGNSUODFOCROB-UHFFFAOYSA-N 1 1 322.340 2.379 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1C ZINC000901309340 642620473 /nfs/dbraw/zinc/62/04/73/642620473.db2.gz VILGVZQIDDHZKN-OLZOCXBDSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1C ZINC000901309340 642620475 /nfs/dbraw/zinc/62/04/75/642620475.db2.gz VILGVZQIDDHZKN-OLZOCXBDSA-N 1 1 305.378 2.376 20 5 DEBDMO CC[N@@H+](CCSC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000842646163 650794885 /nfs/dbraw/zinc/79/48/85/650794885.db2.gz INKVJPRTYQZAGI-UHFFFAOYSA-N 1 1 309.395 2.290 20 5 DEBDMO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1=O ZINC000903388218 643338036 /nfs/dbraw/zinc/33/80/36/643338036.db2.gz LTKHDKOGBQVPLP-SMDDNHRTSA-N 1 1 321.377 2.265 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000786669053 643397308 /nfs/dbraw/zinc/39/73/08/643397308.db2.gz BNBXVQVKXJUHGR-UHFFFAOYSA-N 1 1 305.378 2.286 20 5 DEBDMO C[C@H]([NH2+]C1CC1)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843184636 650920220 /nfs/dbraw/zinc/92/02/20/650920220.db2.gz GNWPXSGCPMTUGS-JTQLQIEISA-N 1 1 317.349 2.445 20 5 DEBDMO C[C@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000794639318 644450504 /nfs/dbraw/zinc/45/05/04/644450504.db2.gz LZQXQCCSEGPGKP-WDEREUQCSA-N 1 1 305.334 2.438 20 5 DEBDMO C[C@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000794639318 644450505 /nfs/dbraw/zinc/45/05/05/644450505.db2.gz LZQXQCCSEGPGKP-WDEREUQCSA-N 1 1 305.334 2.438 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000908277097 644805477 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2.207 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000843847222 651039510 /nfs/dbraw/zinc/03/95/10/651039510.db2.gz ZWSRAVXBSYKXPV-VHSXEESVSA-N 1 1 309.341 2.207 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000804520066 645785329 /nfs/dbraw/zinc/78/53/29/645785329.db2.gz BQBOCHLFGLWKEO-VIFPVBQESA-N 1 1 307.379 2.496 20 5 DEBDMO Cn1cc[nH+]c1[C@H]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804578343 645792623 /nfs/dbraw/zinc/79/26/23/645792623.db2.gz HEFJGDZBSONJDL-JTQLQIEISA-N 1 1 317.305 2.230 20 5 DEBDMO C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000912030268 645910680 /nfs/dbraw/zinc/91/06/80/645910680.db2.gz CYWKIFRGSBTSQU-OAHLLOKOSA-N 1 1 319.405 2.326 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@]4(CCOC4)C3)c2c1 ZINC000151242357 646314048 /nfs/dbraw/zinc/31/40/48/646314048.db2.gz CPDMZYMBPAMHLY-HNNXBMFYSA-N 1 1 302.334 2.014 20 5 DEBDMO COc1cccc(C(=O)O[C@H](C)Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000810614354 646386648 /nfs/dbraw/zinc/38/66/48/646386648.db2.gz GQFGUZKWSFDCSD-SNVBAGLBSA-N 1 1 319.317 2.354 20 5 DEBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000913533185 646388231 /nfs/dbraw/zinc/38/82/31/646388231.db2.gz LSGGLCDQLQZNDI-XUWVNRHRSA-N 1 1 315.373 2.003 20 5 DEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000913533185 646388235 /nfs/dbraw/zinc/38/82/35/646388235.db2.gz LSGGLCDQLQZNDI-XUWVNRHRSA-N 1 1 315.373 2.003 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810842143 646432540 /nfs/dbraw/zinc/43/25/40/646432540.db2.gz STIYGGNNFCDARV-AAEUAGOBSA-N 1 1 320.345 2.387 20 5 DEBDMO CCNC(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811486250 646535317 /nfs/dbraw/zinc/53/53/17/646535317.db2.gz HSVGADXDPAOUKI-UHFFFAOYSA-N 1 1 306.149 2.127 20 5 DEBDMO CC[N@@H+](C[C@H](C)OC)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000812303980 646629829 /nfs/dbraw/zinc/62/98/29/646629829.db2.gz USMBOHHOYARKOC-LBPRGKRZSA-N 1 1 319.365 2.168 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000812394056 646648685 /nfs/dbraw/zinc/64/86/85/646648685.db2.gz NOZVJJUQBODNNG-LBPRGKRZSA-N 1 1 322.409 2.336 20 5 DEBDMO Cc1nn(CN(C)C[C@@H]2CCC[N@H+]2C)c2cc([N+](=O)[O-])ccc12 ZINC000817375539 647281291 /nfs/dbraw/zinc/28/12/91/647281291.db2.gz WPMLLTGISNSOTL-AWEZNQCLSA-N 1 1 317.393 2.236 20 5 DEBDMO CC(C)[N@@H+](CCN1CCOC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000731104425 647447460 /nfs/dbraw/zinc/44/74/60/647447460.db2.gz ZQULRLOHHJCNIK-UHFFFAOYSA-N 1 1 307.350 2.257 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000820273418 647815988 /nfs/dbraw/zinc/81/59/88/647815988.db2.gz UJTUVKFQEXMANP-ZWNOBZJWSA-N 1 1 321.402 2.093 20 5 DEBDMO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000820688475 647895265 /nfs/dbraw/zinc/89/52/65/647895265.db2.gz SMTQDAAYNGZBDY-KOZAUXTDSA-N 1 1 317.389 2.249 20 5 DEBDMO COc1cc(Cc2noc([C@H]3CCCC[NH2+]3)n2)ccc1[N+](=O)[O-] ZINC000822862984 648306043 /nfs/dbraw/zinc/30/60/43/648306043.db2.gz NLKNDINKXYSENO-LLVKDONJSA-N 1 1 318.333 2.392 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000823471370 648428222 /nfs/dbraw/zinc/42/82/22/648428222.db2.gz WAIVZPKRHJTUPS-CQSZACIVSA-N 1 1 306.366 2.448 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823997376 648508977 /nfs/dbraw/zinc/50/89/77/648508977.db2.gz BZTSRLGGJPMHBJ-LLVKDONJSA-N 1 1 321.381 2.029 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823998498 648509630 /nfs/dbraw/zinc/50/96/30/648509630.db2.gz OYNBFKJQDHUPPV-SNVBAGLBSA-N 1 1 309.370 2.029 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC[C@H]21 ZINC000827289197 649008252 /nfs/dbraw/zinc/00/82/52/649008252.db2.gz QOJBMOJXJSYTSQ-WCQYABFASA-N 1 1 323.780 2.414 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827311987 649012156 /nfs/dbraw/zinc/01/21/56/649012156.db2.gz SGHCKCFHMCTRHQ-GDBMZVCRSA-N 1 1 317.389 2.080 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000827490921 649042310 /nfs/dbraw/zinc/04/23/10/649042310.db2.gz JFDLLMCYDPJPSU-CQSZACIVSA-N 1 1 323.368 2.455 20 5 DEBDMO COC(=O)Cc1ccc(NCC[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000827695655 649069765 /nfs/dbraw/zinc/06/97/65/649069765.db2.gz BFDJTKCNDCLHQJ-GFCCVEGCSA-N 1 1 321.377 2.207 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@](O)(C(F)F)C2)cc1 ZINC000831170066 649548075 /nfs/dbraw/zinc/54/80/75/649548075.db2.gz NUBFTKVKTBLGFJ-CQSZACIVSA-N 1 1 316.304 2.066 20 5 DEBDMO C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000833425343 649764144 /nfs/dbraw/zinc/76/41/44/649764144.db2.gz FGMVIBNUWMMEAQ-ZDUSSCGKSA-N 1 1 311.426 2.155 20 5 DEBDMO C[C@H]1COCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848481787 651461959 /nfs/dbraw/zinc/46/19/59/651461959.db2.gz DLEMTBDGNIQAEA-CYBMUJFWSA-N 1 1 316.361 2.384 20 5 DEBDMO C[C@H]1COCC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848481787 651461960 /nfs/dbraw/zinc/46/19/60/651461960.db2.gz DLEMTBDGNIQAEA-CYBMUJFWSA-N 1 1 316.361 2.384 20 5 DEBDMO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H]1CCSC1 ZINC000853504375 652557586 /nfs/dbraw/zinc/55/75/86/652557586.db2.gz LDNSXXBGGXYSMJ-NSHDSACASA-N 1 1 319.390 2.248 20 5 DEBDMO C[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H]1CCSC1 ZINC000853504375 652557587 /nfs/dbraw/zinc/55/75/87/652557587.db2.gz LDNSXXBGGXYSMJ-NSHDSACASA-N 1 1 319.390 2.248 20 5 DEBDMO C[N@H+](C[C@H]1CC1(C)C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000853628185 652581041 /nfs/dbraw/zinc/58/10/41/652581041.db2.gz OXFZKCBHBAARLC-MRVPVSSYSA-N 1 1 317.187 2.489 20 5 DEBDMO C[N@@H+](C[C@H]1CC1(C)C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000853628185 652581046 /nfs/dbraw/zinc/58/10/46/652581046.db2.gz OXFZKCBHBAARLC-MRVPVSSYSA-N 1 1 317.187 2.489 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000929117962 693899622 /nfs/dbraw/zinc/89/96/22/693899622.db2.gz DAZVHXAMAHRRHC-CYBMUJFWSA-N 1 1 306.366 2.461 20 5 DEBDMO CC[C@@H]1C[C@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000929263620 693926700 /nfs/dbraw/zinc/92/67/00/693926700.db2.gz WYWWQSUZZAGTOH-NEPJUHHUSA-N 1 1 323.418 2.460 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000195157511 685088890 /nfs/dbraw/zinc/08/88/90/685088890.db2.gz UZEOPTPTPCLHSH-UHFFFAOYSA-N 1 1 310.325 2.319 20 5 DEBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000861343091 686049633 /nfs/dbraw/zinc/04/96/33/686049633.db2.gz YNGVXBYLZYKWEN-MLGOLLRUSA-N 1 1 322.361 2.169 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000861667559 686167314 /nfs/dbraw/zinc/16/73/14/686167314.db2.gz XZRYBWPAPZCWED-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000861667559 686167316 /nfs/dbraw/zinc/16/73/16/686167316.db2.gz XZRYBWPAPZCWED-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000929991074 694066203 /nfs/dbraw/zinc/06/62/03/694066203.db2.gz HOVKPNIICJLFMI-UHFFFAOYSA-N 1 1 323.418 2.483 20 5 DEBDMO CCc1[nH+]c(C)cn1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000865394353 687196311 /nfs/dbraw/zinc/19/63/11/687196311.db2.gz DNZYVSBEPAAEMJ-UHFFFAOYSA-N 1 1 303.318 2.497 20 5 DEBDMO CCC[N@H+]1CC[C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865461494 687221117 /nfs/dbraw/zinc/22/11/17/687221117.db2.gz YGWXYRWXQQTUBW-LLVKDONJSA-N 1 1 311.357 2.370 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865746728 687321053 /nfs/dbraw/zinc/32/10/53/687321053.db2.gz UIXDMBHYCYIZON-UHFFFAOYSA-N 1 1 311.357 2.125 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)c(Cl)c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000865972988 687397241 /nfs/dbraw/zinc/39/72/41/687397241.db2.gz PZJUKPXQLSOLLN-MRVPVSSYSA-N 1 1 320.176 2.380 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)c(Cl)c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000865972988 687397247 /nfs/dbraw/zinc/39/72/47/687397247.db2.gz PZJUKPXQLSOLLN-MRVPVSSYSA-N 1 1 320.176 2.380 20 5 DEBDMO CC(=O)c1cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866206172 687491081 /nfs/dbraw/zinc/49/10/81/687491081.db2.gz BWPAWBAAYCENOT-WFASDCNBSA-N 1 1 303.362 2.328 20 5 DEBDMO COc1cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000866205815 687491477 /nfs/dbraw/zinc/49/14/77/687491477.db2.gz AMARSMTZAZVZTI-ZYHUDNBSSA-N 1 1 309.341 2.273 20 5 DEBDMO CC(C)Oc1nc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866208139 687492667 /nfs/dbraw/zinc/49/26/67/687492667.db2.gz IHGZTEKPZSVRCM-CHWSQXEVSA-N 1 1 320.393 2.307 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC[C@H]21 ZINC000866209449 687494032 /nfs/dbraw/zinc/49/40/32/687494032.db2.gz SAPBHOOXGFEITB-GHMZBOCLSA-N 1 1 306.322 2.033 20 5 DEBDMO CC(C)N(CC1CC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867948993 687845851 /nfs/dbraw/zinc/84/58/51/687845851.db2.gz 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PKTVCWMQXCIZQK-OLZOCXBDSA-N 1 1 315.414 2.278 20 5 DEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001148164979 791702576 /nfs/dbraw/zinc/70/25/76/791702576.db2.gz KAFXPYYDCXQVPN-GFCCVEGCSA-N 1 1 320.393 2.123 20 5 DEBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094639981 793035682 /nfs/dbraw/zinc/03/56/82/793035682.db2.gz LDTVKOMUESZEGA-UHFFFAOYSA-N 1 1 322.409 2.243 20 5 DEBDMO CN1CC[C@@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899716 793522595 /nfs/dbraw/zinc/52/25/95/793522595.db2.gz OWTVANSDTUSZQI-XJKSGUPXSA-N 1 1 303.406 2.384 20 5 DEBDMO CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172921686 793533672 /nfs/dbraw/zinc/53/36/72/793533672.db2.gz QULLHWKRPWQYJB-HZPDHXFCSA-N 1 1 317.389 2.053 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC(F)(F)CO)CC2 ZINC001172913410 793544757 /nfs/dbraw/zinc/54/47/57/793544757.db2.gz VQZIKCWBAZBFOT-GFCCVEGCSA-N 1 1 300.305 2.059 20 5 DEBDMO COC[C@H]1CC[N@@H+]1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192443 793623362 /nfs/dbraw/zinc/62/33/62/793623362.db2.gz IAVUONXNMHXOJI-WDEREUQCSA-N 1 1 312.341 2.394 20 5 DEBDMO COC[C@H]1CC[N@H+]1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192443 793623367 /nfs/dbraw/zinc/62/33/67/793623367.db2.gz IAVUONXNMHXOJI-WDEREUQCSA-N 1 1 312.341 2.394 20 5 DEBDMO COC(=O)N1CCC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173221761 793638007 /nfs/dbraw/zinc/63/80/07/793638007.db2.gz LWPRPRLINYVZMN-CYBMUJFWSA-N 1 1 321.377 2.300 20 5 DEBDMO Cc1nc(CC[N@H+](C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173222703 793638812 /nfs/dbraw/zinc/63/88/12/793638812.db2.gz UQFMWPBEXLWWQQ-LLVKDONJSA-N 1 1 304.350 2.392 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC001173222672 793638828 /nfs/dbraw/zinc/63/88/28/793638828.db2.gz UDJNXCKAEGZXET-CJNGLKHVSA-N 1 1 306.362 2.017 20 5 DEBDMO CC(=O)N[C@H]1CCC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225668 793641701 /nfs/dbraw/zinc/64/17/01/793641701.db2.gz FHOVOOFKUKFENB-DOMZBBRYSA-N 1 1 305.378 2.126 20 5 DEBDMO CCc1ncc(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC001178669081 794968520 /nfs/dbraw/zinc/96/85/20/794968520.db2.gz CKWYRBCLXJEASN-VIFPVBQESA-N 1 1 320.324 2.439 20 5 DEBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC001118984250 795244785 /nfs/dbraw/zinc/24/47/85/795244785.db2.gz CXEYGFAMISMPFP-GFCCVEGCSA-N 1 1 301.350 2.182 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001119448928 795303197 /nfs/dbraw/zinc/30/31/97/795303197.db2.gz UOZGICYLZDISMJ-GWCFXTLKSA-N 1 1 322.340 2.292 20 5 DEBDMO C[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC001120727265 795520464 /nfs/dbraw/zinc/52/04/64/795520464.db2.gz TYSZENAYNAUAOI-DGCLKSJQSA-N 1 1 323.368 2.438 20 5 DEBDMO CC1(C)CC[N@@H+](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC001121911933 795703502 /nfs/dbraw/zinc/70/35/02/795703502.db2.gz ZIWNSKCIVKNIJZ-UHFFFAOYSA-N 1 1 320.393 2.126 20 5 DEBDMO C[C@@]([NH3+])(C(=O)N1CCC=C(Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC001122344789 795749044 /nfs/dbraw/zinc/74/90/44/795749044.db2.gz KZQJDYMWUQOYFT-AWEZNQCLSA-N 1 1 309.753 2.124 20 5 DEBDMO C[NH+](C)/C=C/c1cc(NC[C@@H](O)c2ccco2)ncc1[N+](=O)[O-] ZINC001154878032 797631540 /nfs/dbraw/zinc/63/15/40/797631540.db2.gz KOAHHDHWGGZGKO-URWSZGRFSA-N 1 1 318.333 2.261 20 5 DEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(NCC[C@H]2CCC[N@H+](C)C2)n1 ZINC001156380121 797988838 /nfs/dbraw/zinc/98/88/38/797988838.db2.gz XYCNNZOPOZEODV-SNVBAGLBSA-N 1 1 313.789 2.490 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156827452 798089284 /nfs/dbraw/zinc/08/92/84/798089284.db2.gz FDXHLUSUSINTAZ-CQSZACIVSA-N 1 1 321.377 2.064 20 5 DEBDMO Cc1nc(Cl)nc(N2CC[C@@H]([N@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157000985 798125727 /nfs/dbraw/zinc/12/57/27/798125727.db2.gz KFSAYEOMVCYUGT-SNVBAGLBSA-N 1 1 313.789 2.266 20 5 DEBDMO CNC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001197758720 798229195 /nfs/dbraw/zinc/22/91/95/798229195.db2.gz KXPNQHNLHVMLEQ-CHWSQXEVSA-N 1 1 320.393 2.358 20 5 DEBDMO [NH3+]CCc1cn(-c2nccc(Cl)c2[N+](=O)[O-])c2ccncc12 ZINC001160944358 798766965 /nfs/dbraw/zinc/76/69/65/798766965.db2.gz GJKMZWUUIVGOHY-UHFFFAOYSA-N 1 1 317.736 2.483 20 5 DEBDMO COC[C@H](Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C1CC1 ZINC001161726306 798923799 /nfs/dbraw/zinc/92/37/99/798923799.db2.gz KCSKJDJQZZKITB-YBJDMEARSA-N 1 1 306.366 2.359 20 5 DEBDMO Cc1ccnc(CNc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)n1 ZINC001162199766 799031751 /nfs/dbraw/zinc/03/17/51/799031751.db2.gz SPXIFXDLTRHCGU-UHFFFAOYSA-N 1 1 313.361 2.293 20 5 DEBDMO Cc1ccnc(CNc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)n1 ZINC001162199766 799031755 /nfs/dbraw/zinc/03/17/55/799031755.db2.gz SPXIFXDLTRHCGU-UHFFFAOYSA-N 1 1 313.361 2.293 20 5 DEBDMO CC(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001162372400 799073307 /nfs/dbraw/zinc/07/33/07/799073307.db2.gz IGKIUCSTWJYAIM-GFCCVEGCSA-N 1 1 307.394 2.402 20 5 DEBDMO CC(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001162372400 799073315 /nfs/dbraw/zinc/07/33/15/799073315.db2.gz IGKIUCSTWJYAIM-GFCCVEGCSA-N 1 1 307.394 2.402 20 5 DEBDMO O=[N+]([O-])c1cnc(NCC[C@@H]2CC[NH2+]CC2(F)F)c(F)c1 ZINC001162809967 799180845 /nfs/dbraw/zinc/18/08/45/799180845.db2.gz GTLNBFSVHBUZRA-QMMMGPOBSA-N 1 1 304.272 2.176 20 5 DEBDMO COc1nc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)n1 ZINC001163360584 799322656 /nfs/dbraw/zinc/32/26/56/799322656.db2.gz FCEMTLJPQKGTRH-CMPLNLGQSA-N 1 1 323.397 2.233 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC001164177068 799532836 /nfs/dbraw/zinc/53/28/36/799532836.db2.gz MZEITXRMOZMTRX-PWSUYJOCSA-N 1 1 307.350 2.194 20 5 DEBDMO CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494800 799609806 /nfs/dbraw/zinc/60/98/06/799609806.db2.gz SROQBEDKKZEIIH-DPOFCPOHSA-N 1 1 323.437 2.274 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNc2cc([N+](=O)[O-])c3nccn3c2)C1 ZINC001165278603 799694603 /nfs/dbraw/zinc/69/46/03/799694603.db2.gz IFNVQCXZHUPQCD-LBPRGKRZSA-N 1 1 303.366 2.386 20 5 DEBDMO Cc1[nH+]cc2n1CCN(c1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001165385907 799717834 /nfs/dbraw/zinc/71/78/34/799717834.db2.gz SCGOQPYJCYEGNN-UHFFFAOYSA-N 1 1 310.317 2.063 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933056867 800002073 /nfs/dbraw/zinc/00/20/73/800002073.db2.gz UFHOOHPMZWEYGF-CQSZACIVSA-N 1 1 324.352 2.240 20 5 DEBDMO C[C@@](CO)([NH2+]Cc1cccc(F)c1N)c1cccc([N+](=O)[O-])c1 ZINC001203373204 800041163 /nfs/dbraw/zinc/04/11/63/800041163.db2.gz NTEHRUTVLMOVEW-INIZCTEOSA-N 1 1 319.336 2.313 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)cc1 ZINC000934216877 800294313 /nfs/dbraw/zinc/29/43/13/800294313.db2.gz VSAUQHQDLCXPEE-CXAGYDPISA-N 1 1 314.341 2.427 20 5 DEBDMO Cc1nc(OC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377897 801266423 /nfs/dbraw/zinc/26/64/23/801266423.db2.gz GYUIMILZTPICGK-UHFFFAOYSA-N 1 1 310.354 2.041 20 5 DEBDMO C[N@H+]1CCC[C@H](Oc2cc(Br)cnc2[N+](=O)[O-])C1 ZINC001229560276 801291581 /nfs/dbraw/zinc/29/15/81/801291581.db2.gz OAXXEKNLCDWVRP-VIFPVBQESA-N 1 1 316.155 2.225 20 5 DEBDMO CC(=O)c1cc(O[C@@H]2CCc3[nH+]ccn3C2)ccc1[N+](=O)[O-] ZINC001233503422 802136612 /nfs/dbraw/zinc/13/66/12/802136612.db2.gz UTZIMLIUNBWXKR-GFCCVEGCSA-N 1 1 301.302 2.388 20 5 DEBDMO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CC2(F)F)ccc1Br ZINC001218230648 802157342 /nfs/dbraw/zinc/15/73/42/802157342.db2.gz CDKMTMXFFNICII-SECBINFHSA-N 1 1 323.093 2.343 20 5 DEBDMO COC(=O)c1cc(COC2C[NH+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC001223688256 802808511 /nfs/dbraw/zinc/80/85/11/802808511.db2.gz GVJNEYUSBYHXKR-UHFFFAOYSA-N 1 1 322.361 2.381 20 5 DEBDMO CCOC(=O)c1ccc(COC2C[NH+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001223966778 802826507 /nfs/dbraw/zinc/82/65/07/802826507.db2.gz NXDASGSWLLDDRA-UHFFFAOYSA-N 1 1 322.361 2.381 20 5 DEBDMO O=c1cc[nH]c(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001225662420 802998512 /nfs/dbraw/zinc/99/85/12/802998512.db2.gz SQFHFTXGNAITDT-CYBMUJFWSA-N 1 1 315.329 2.349 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227111341 803203732 /nfs/dbraw/zinc/20/37/32/803203732.db2.gz KMBYNURWPYDUQL-LLVKDONJSA-N 1 1 310.310 2.150 20 5 DEBDMO Cc1nc(Cl)nc(O[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001227339916 803231580 /nfs/dbraw/zinc/23/15/80/803231580.db2.gz LWYMFJWLLRTKCG-SECBINFHSA-N 1 1 300.746 2.208 20 5 DEBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cc3)C[C@H]1[N@H+]2C ZINC001227523911 803246984 /nfs/dbraw/zinc/24/69/84/803246984.db2.gz SYDGRDABCWAPDM-ARLBYUKCSA-N 1 1 320.345 2.140 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001335697199 1150504430 /nfs/dbraw/zinc/50/44/30/1150504430.db2.gz LDYMEUOUXYCHTK-OLZOCXBDSA-N 1 1 319.340 2.325 20 5 DEBDMO CC[NH+](CC)CCC[NH2+][C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001596265895 983684892 /nfs/dbraw/zinc/68/48/92/983684892.db2.gz STCFHYFXNRWDMO-MRXNPFEDSA-N 1 1 323.393 2.216 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC001458550182 1058069579 /nfs/dbraw/zinc/06/95/79/1058069579.db2.gz RWSJHCPOWXISHV-NSHDSACASA-N 1 1 307.350 2.196 20 5 DEBDMO C[C@@H](CNC(=O)CC[N@H+]1CC[C@@H](F)C1)c1ccccc1[N+](=O)[O-] ZINC001472148032 1060433155 /nfs/dbraw/zinc/43/31/55/1060433155.db2.gz ARSUCWIASQYMOJ-QWHCGFSZSA-N 1 1 323.368 2.248 20 5 DEBDMO C[C@H](C(=O)N1CC[N@@H+](C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001472583493 1060546803 /nfs/dbraw/zinc/54/68/03/1060546803.db2.gz QRHDMXNPLHTQAZ-OLZOCXBDSA-N 1 1 317.389 2.393 20 5 DEBDMO C[C@H](C(=O)N1CC[N@H+](C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001472583493 1060546824 /nfs/dbraw/zinc/54/68/24/1060546824.db2.gz QRHDMXNPLHTQAZ-OLZOCXBDSA-N 1 1 317.389 2.393 20 5 DEBDMO C[N@H+]1CC[C@H]1CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001472883527 1060601739 /nfs/dbraw/zinc/60/17/39/1060601739.db2.gz XZVWSVGFLFIEQK-JTQLQIEISA-N 1 1 306.753 2.334 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](c2ncccn2)C2CC2)cc1 ZINC001473815599 1060733685 /nfs/dbraw/zinc/73/36/85/1060733685.db2.gz JRJPMNJPXQCWMR-GJZGRUSLSA-N 1 1 314.345 2.159 20 5 DEBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4C[C@@H](F)C[C@H]4C3)sc2c1 ZINC001613023364 1078115394 /nfs/dbraw/zinc/11/53/94/1078115394.db2.gz XLLIPXGIMXHBPE-ONGXEEELSA-N 1 1 322.365 2.437 20 5 DEBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4C[C@@H](F)C[C@H]4C3)sc2c1 ZINC001613023364 1078115396 /nfs/dbraw/zinc/11/53/96/1078115396.db2.gz XLLIPXGIMXHBPE-ONGXEEELSA-N 1 1 322.365 2.437 20 5 DEBDMO C[C@H]1OCC[C@]1(C)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001617209687 1078140839 /nfs/dbraw/zinc/14/08/39/1078140839.db2.gz ZHKCNPPKQVZQPQ-BMIGLBTASA-N 1 1 318.333 2.302 20 5 DEBDMO C[NH+](C)Cc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)o1 ZINC001626316401 1078252674 /nfs/dbraw/zinc/25/26/74/1078252674.db2.gz XIUVQMKSOYDPEI-UHFFFAOYSA-N 1 1 303.318 2.179 20 5 DEBDMO CCC(=O)NCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001571679156 1068473776 /nfs/dbraw/zinc/47/37/76/1068473776.db2.gz OQUFEVFMTUGNDM-UHFFFAOYSA-N 1 1 303.362 2.253 20 5 DEBDMO CCC(=O)NCC1=CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001571679156 1068473782 /nfs/dbraw/zinc/47/37/82/1068473782.db2.gz OQUFEVFMTUGNDM-UHFFFAOYSA-N 1 1 303.362 2.253 20 5 DEBDMO C[N@H+]1C[C@@]23CN(c4cccnc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001516247328 1068918959 /nfs/dbraw/zinc/91/89/59/1068918959.db2.gz WJBVJMITUOWBKR-IYBDPMFKSA-N 1 1 302.378 2.302 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3c4c(ccc3[N+](=O)[O-])NCC4)[C@@H]2C1 ZINC001516433019 1068924838 /nfs/dbraw/zinc/92/48/38/1068924838.db2.gz WGBRTZRFFZXGGY-SUHUHFCYSA-N 1 1 302.378 2.315 20 5 DEBDMO Cc1cccc(C(=O)OC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001516972400 1068948100 /nfs/dbraw/zinc/94/81/00/1068948100.db2.gz DTAVXOXNYDZWCL-LBPRGKRZSA-N 1 1 322.361 2.028 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001645337209 1078894676 /nfs/dbraw/zinc/89/46/76/1078894676.db2.gz CZFVPSVCSCHQJM-XMELGKRDSA-N 1 1 317.389 2.455 20 5 DEBDMO C[N@H+]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC001645238117 1078888712 /nfs/dbraw/zinc/88/87/12/1078888712.db2.gz YNCHLFXMCBVQCT-LLVKDONJSA-N 1 1 311.769 2.318 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC001648297141 1074992607 /nfs/dbraw/zinc/99/26/07/1074992607.db2.gz PXOHFGMBCWLZKI-CYBMUJFWSA-N 1 1 321.377 2.078 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001558875393 1075107620 /nfs/dbraw/zinc/10/76/20/1075107620.db2.gz WIYFLMXYWDTRCL-HNNXBMFYSA-N 1 1 305.378 2.080 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCc3cc(O)ccc3C2)cc1 ZINC001560238442 1075134531 /nfs/dbraw/zinc/13/45/31/1075134531.db2.gz OQNRBAUAGIKMEW-QGZVFWFLSA-N 1 1 314.341 2.392 20 5 DEBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCCC2(CC2)C1 ZINC001593467394 1077005462 /nfs/dbraw/zinc/00/54/62/1077005462.db2.gz PRRGMTNZUDYTLH-UHFFFAOYSA-N 1 1 314.349 2.151 20 5 DEBDMO Cc1ccnc(N)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001652318412 1079868664 /nfs/dbraw/zinc/86/86/64/1079868664.db2.gz UKLFAOXSDHKFOB-UHFFFAOYSA-N 1 1 312.333 2.047 20 5 DEBDMO C[C@H]([NH2+]CC(=O)Nc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC001654700157 1079974414 /nfs/dbraw/zinc/97/44/14/1079974414.db2.gz WYTDVUJKJDKTLR-NSHDSACASA-N 1 1 300.318 2.279 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3cc(O)ccc3C2)c1 ZINC001656573228 1080103928 /nfs/dbraw/zinc/10/39/28/1080103928.db2.gz AVTZPKUNTMOGSV-QGZVFWFLSA-N 1 1 314.341 2.392 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)c([N+](=O)[O-])c1 ZINC001660219111 1080288308 /nfs/dbraw/zinc/28/83/08/1080288308.db2.gz TYZWGUSHEYFNJS-HUUCEWRRSA-N 1 1 321.333 2.240 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)c([N+](=O)[O-])c1 ZINC001660219111 1080288319 /nfs/dbraw/zinc/28/83/19/1080288319.db2.gz TYZWGUSHEYFNJS-HUUCEWRRSA-N 1 1 321.333 2.240 20 5 DEBDMO CC[N@@H+](C)CCC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107322599 1080722277 /nfs/dbraw/zinc/72/22/77/1080722277.db2.gz ZJPNSZKFVSGPDW-SNAWJCMRSA-N 1 1 320.393 2.021 20 5 DEBDMO CC[N@H+](CCNC(=O)C(C)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001663350366 1080734133 /nfs/dbraw/zinc/73/41/33/1080734133.db2.gz XIMVKTRPGBCZAQ-UHFFFAOYSA-N 1 1 315.320 2.188 20 5 DEBDMO CC[N@@H+](CCNC(=O)C(C)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001663350366 1080734143 /nfs/dbraw/zinc/73/41/43/1080734143.db2.gz XIMVKTRPGBCZAQ-UHFFFAOYSA-N 1 1 315.320 2.188 20 5 DEBDMO C[N@@H+](CCNC(=O)C1(C)CC=CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480907095 1082479192 /nfs/dbraw/zinc/47/91/92/1082479192.db2.gz NSEQXJXEGVOZMX-UHFFFAOYSA-N 1 1 317.389 2.499 20 5 DEBDMO CN(CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1CC1 ZINC001273476016 1091870327 /nfs/dbraw/zinc/87/03/27/1091870327.db2.gz XYYZDGFBRRWBGN-UHFFFAOYSA-N 1 1 305.378 2.285 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC001294201253 1139099557 /nfs/dbraw/zinc/09/95/57/1139099557.db2.gz IMEZNIYATMCXFK-NXEZZACHSA-N 1 1 311.769 2.461 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC001294201254 1139099581 /nfs/dbraw/zinc/09/95/81/1139099581.db2.gz IMEZNIYATMCXFK-UWVGGRQHSA-N 1 1 311.769 2.461 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC001319031755 1140492866 /nfs/dbraw/zinc/49/28/66/1140492866.db2.gz YAIFQTAFNOBOHC-ZDUSSCGKSA-N 1 1 320.393 2.126 20 5 DEBDMO COc1ccc(C[C@@H](C)N2C[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246542520 1140947077 /nfs/dbraw/zinc/94/70/77/1140947077.db2.gz PXGRPBPVCFHAJU-OUCADQQQSA-N 1 1 307.394 2.061 20 5 DEBDMO COc1c(C(=O)Nc2cc(C)[nH+]c(C)c2)cccc1[N+](=O)[O-] ZINC001321548132 1141305822 /nfs/dbraw/zinc/30/58/22/1141305822.db2.gz AIEGZJYFJNKLLG-UHFFFAOYSA-N 1 1 301.302 2.289 20 5 DEBDMO C[C@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001321688009 1141328797 /nfs/dbraw/zinc/32/87/97/1141328797.db2.gz HRCODOCQEYQJBP-AWEZNQCLSA-N 1 1 309.322 2.097 20 5 DEBDMO C[C@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001321688009 1141328808 /nfs/dbraw/zinc/32/88/08/1141328808.db2.gz HRCODOCQEYQJBP-AWEZNQCLSA-N 1 1 309.322 2.097 20 5 DEBDMO CC(C)(C)OC(=O)NCc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC001337855129 1142805634 /nfs/dbraw/zinc/80/56/34/1142805634.db2.gz QNCZOUFIBNFPSI-UHFFFAOYSA-N 1 1 309.366 2.078 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1F ZINC001338467195 1142857730 /nfs/dbraw/zinc/85/77/30/1142857730.db2.gz ZEEJRPINROQLAX-ZLKJLUDKSA-N 1 1 321.352 2.112 20 5 DEBDMO CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254561076 1143249395 /nfs/dbraw/zinc/24/93/95/1143249395.db2.gz FAVRZBLCGRABAW-WFASDCNBSA-N 1 1 305.378 2.126 20 5 DEBDMO CC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254566354 1143250670 /nfs/dbraw/zinc/25/06/70/1143250670.db2.gz STXAMEXJUDDDSU-IUODEOHRSA-N 1 1 305.378 2.078 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@](O)(C(F)(F)F)C1)C2 ZINC001254593357 1143271402 /nfs/dbraw/zinc/27/14/02/1143271402.db2.gz LJJPFQMQSHEYIG-CHWSQXEVSA-N 1 1 316.279 2.061 20 5 DEBDMO COC(=O)[C@@H]1C[C@@H](C)C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602139 1143276365 /nfs/dbraw/zinc/27/63/65/1143276365.db2.gz CGPRUNQYBHGHGA-XFJVYGCCSA-N 1 1 318.373 2.193 20 5 DEBDMO COC(=O)[C@H]1CC[C@@H](C)[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602816 1143276751 /nfs/dbraw/zinc/27/67/51/1143276751.db2.gz JBIPEKWDYWSWGQ-FFSVYQOJSA-N 1 1 318.373 2.336 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001341027101 1143525677 /nfs/dbraw/zinc/52/56/77/1143525677.db2.gz QJDQHILCOYURQA-QPOHTDGUSA-N 1 1 315.373 2.064 20 5 DEBDMO CC(C)CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001282965221 1145216933 /nfs/dbraw/zinc/21/69/33/1145216933.db2.gz QMEGMYSKLAZSDU-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO CC(C)CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001282965221 1145216938 /nfs/dbraw/zinc/21/69/38/1145216938.db2.gz QMEGMYSKLAZSDU-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO CC(C)CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001282965221 1145216943 /nfs/dbraw/zinc/21/69/43/1145216943.db2.gz QMEGMYSKLAZSDU-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO O=C(N[C@@]12CC[N@@H+](C1)CCC2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001288003273 1146761151 /nfs/dbraw/zinc/76/11/51/1146761151.db2.gz KITJOSNFUWHSJJ-INMHGKMJSA-N 1 1 315.373 2.053 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001302569394 1147312672 /nfs/dbraw/zinc/31/26/72/1147312672.db2.gz IJIHZVYVMNEEPG-RISCZKNCSA-N 1 1 321.352 2.209 20 5 DEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC001302593821 1147312947 /nfs/dbraw/zinc/31/29/47/1147312947.db2.gz LONSMAGCWIXFDH-ZDUSSCGKSA-N 1 1 320.393 2.450 20 5 DEBDMO C[C@H]([NH2+]CC(=O)Nc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC001308069764 1147444203 /nfs/dbraw/zinc/44/42/03/1147444203.db2.gz YYKGRVNGHDUYEL-VIFPVBQESA-N 1 1 306.347 2.341 20 5 DEBDMO CCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC001308078064 1147445923 /nfs/dbraw/zinc/44/59/23/1147445923.db2.gz QYPONPUVYJDHAK-UHFFFAOYSA-N 1 1 321.377 2.094 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001308159019 1147449918 /nfs/dbraw/zinc/44/99/18/1147449918.db2.gz FZUUJDHTGXWJQR-KGLIPLIRSA-N 1 1 308.382 2.133 20 5 DEBDMO Cc1ccnc(NCCC[N@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278323436 214091001 /nfs/dbraw/zinc/09/10/01/214091001.db2.gz ZBXRJDKLXZQAPN-ZDUSSCGKSA-N 1 1 308.382 2.211 20 5 DEBDMO CC[C@H](CO)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295702348 529382843 /nfs/dbraw/zinc/38/28/43/529382843.db2.gz MMRAEKWVQGYFFP-CYBMUJFWSA-N 1 1 305.334 2.453 20 5 DEBDMO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000152938012 282157866 /nfs/dbraw/zinc/15/78/66/282157866.db2.gz KFNJXZKPBXNKNH-GFCCVEGCSA-N 1 1 309.391 2.279 20 5 DEBDMO Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000152938012 282157869 /nfs/dbraw/zinc/15/78/69/282157869.db2.gz KFNJXZKPBXNKNH-GFCCVEGCSA-N 1 1 309.391 2.279 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C)(O)CC2)cccc1[N+](=O)[O-] ZINC000177297515 282203326 /nfs/dbraw/zinc/20/33/26/282203326.db2.gz IJUKENHXNKBSTR-LBPRGKRZSA-N 1 1 321.377 2.077 20 5 DEBDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554255 185302901 /nfs/dbraw/zinc/30/29/01/185302901.db2.gz QXRDZIMHHXGGJH-LBPRGKRZSA-N 1 1 317.345 2.155 20 5 DEBDMO Cc1nn(C)c(N(C)CCC[N@@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000286609753 219081945 /nfs/dbraw/zinc/08/19/45/219081945.db2.gz SZYORPADTGLMOX-UHFFFAOYSA-N 1 1 321.381 2.188 20 5 DEBDMO Cc1nn(C)c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000161886327 282271705 /nfs/dbraw/zinc/27/17/05/282271705.db2.gz LILMOLNRAOOZLO-TZMCWYRMSA-N 1 1 319.409 2.090 20 5 DEBDMO CCc1nn(C)c(NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447801571 529767707 /nfs/dbraw/zinc/76/77/07/529767707.db2.gz DDEWYCQHAIZAMM-LBPRGKRZSA-N 1 1 309.414 2.423 20 5 DEBDMO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000615491028 362619638 /nfs/dbraw/zinc/61/96/38/362619638.db2.gz IRQHTGACRZQDEG-LBPRGKRZSA-N 1 1 312.439 2.342 20 5 DEBDMO CC[N@H+](CC(=O)N(C)C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615833486 362711421 /nfs/dbraw/zinc/71/14/21/362711421.db2.gz NGZWTDDBTBZVTJ-LCYFTJDESA-N 1 1 305.378 2.408 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000616487270 362872674 /nfs/dbraw/zinc/87/26/74/362872674.db2.gz KPGLPEQDSJDPFD-LLVKDONJSA-N 1 1 308.256 2.006 20 5 DEBDMO CCn1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000616786383 362933769 /nfs/dbraw/zinc/93/37/69/362933769.db2.gz XVCDAQRRPARMRU-UHFFFAOYSA-N 1 1 316.361 2.147 20 5 DEBDMO CCn1ccc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000616786383 362933774 /nfs/dbraw/zinc/93/37/74/362933774.db2.gz XVCDAQRRPARMRU-UHFFFAOYSA-N 1 1 316.361 2.147 20 5 DEBDMO COc1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000152413599 186069944 /nfs/dbraw/zinc/06/99/44/186069944.db2.gz KVRRUOUTZPGYRT-CQSZACIVSA-N 1 1 307.394 2.377 20 5 DEBDMO CC1(C)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181876909 186213912 /nfs/dbraw/zinc/21/39/12/186213912.db2.gz IODJETVVZXPCOC-CYBMUJFWSA-N 1 1 308.378 2.457 20 5 DEBDMO CSc1cccc(C(=O)N2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000188041321 186248488 /nfs/dbraw/zinc/24/84/88/186248488.db2.gz LORUIWGTMLAHPF-UHFFFAOYSA-N 1 1 323.418 2.483 20 5 DEBDMO CCOC[C@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000269579174 186390487 /nfs/dbraw/zinc/39/04/87/186390487.db2.gz DYGSWUXGZCHLFA-GFCCVEGCSA-N 1 1 302.758 2.077 20 5 DEBDMO CCOC[C@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000269579174 186390489 /nfs/dbraw/zinc/39/04/89/186390489.db2.gz DYGSWUXGZCHLFA-GFCCVEGCSA-N 1 1 302.758 2.077 20 5 DEBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192800619 282746645 /nfs/dbraw/zinc/74/66/45/282746645.db2.gz DJAHTQAMHIBFFO-LBPRGKRZSA-N 1 1 315.377 2.370 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCc3cn[nH]n3)C2)cc1 ZINC000595523198 358473451 /nfs/dbraw/zinc/47/34/51/358473451.db2.gz JSASRSJCVDYTFB-CYBMUJFWSA-N 1 1 301.350 2.135 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCc3c[nH]nn3)C2)cc1 ZINC000595523198 358473454 /nfs/dbraw/zinc/47/34/54/358473454.db2.gz JSASRSJCVDYTFB-CYBMUJFWSA-N 1 1 301.350 2.135 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCc3c[nH]nn3)C2)cc1 ZINC000595523198 358473455 /nfs/dbraw/zinc/47/34/55/358473455.db2.gz JSASRSJCVDYTFB-CYBMUJFWSA-N 1 1 301.350 2.135 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000174504993 198343018 /nfs/dbraw/zinc/34/30/18/198343018.db2.gz SREQPLJTZIHDCW-LBPRGKRZSA-N 1 1 321.377 2.017 20 5 DEBDMO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000047795802 354331104 /nfs/dbraw/zinc/33/11/04/354331104.db2.gz GLEFMSZJODPDGH-CYBMUJFWSA-N 1 1 307.350 2.305 20 5 DEBDMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000047795802 354331107 /nfs/dbraw/zinc/33/11/07/354331107.db2.gz GLEFMSZJODPDGH-CYBMUJFWSA-N 1 1 307.350 2.305 20 5 DEBDMO CCC[N@H+]1CC[C@@H](CNc2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 ZINC000053583368 354439933 /nfs/dbraw/zinc/43/99/33/354439933.db2.gz BBOCXBLYYUGGCK-LBPRGKRZSA-N 1 1 320.393 2.098 20 5 DEBDMO CN(C(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000595566126 358487925 /nfs/dbraw/zinc/48/79/25/358487925.db2.gz KOXKONSNIPICPT-WFASDCNBSA-N 1 1 303.362 2.432 20 5 DEBDMO CN(C(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000595566126 358487928 /nfs/dbraw/zinc/48/79/28/358487928.db2.gz KOXKONSNIPICPT-WFASDCNBSA-N 1 1 303.362 2.432 20 5 DEBDMO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595566276 358488132 /nfs/dbraw/zinc/48/81/32/358488132.db2.gz NPKIAMJFYWGBND-ZFWWWQNUSA-N 1 1 315.373 2.358 20 5 DEBDMO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595566276 358488135 /nfs/dbraw/zinc/48/81/35/358488135.db2.gz NPKIAMJFYWGBND-ZFWWWQNUSA-N 1 1 315.373 2.358 20 5 DEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000074299008 355020285 /nfs/dbraw/zinc/02/02/85/355020285.db2.gz QSAMRVCZQBOLSC-CQSZACIVSA-N 1 1 317.389 2.399 20 5 DEBDMO O=[N+]([O-])c1c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2sccn21 ZINC000075721836 355103985 /nfs/dbraw/zinc/10/39/85/355103985.db2.gz VHGBQRUIRRTDLY-VIFPVBQESA-N 1 1 318.362 2.411 20 5 DEBDMO Cc1cc(NC2CC[NH+](CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000076686053 355161565 /nfs/dbraw/zinc/16/15/65/355161565.db2.gz DRLLNNJJJFIGKE-UHFFFAOYSA-N 1 1 306.410 2.341 20 5 DEBDMO Cc1nn(C)c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000078526980 355266182 /nfs/dbraw/zinc/26/61/82/355266182.db2.gz QOIWTMOLDSZQEG-ZDUSSCGKSA-N 1 1 307.398 2.313 20 5 DEBDMO Cc1cnc(NCCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000078629362 355271539 /nfs/dbraw/zinc/27/15/39/355271539.db2.gz BYOAOOVYELLJJC-UHFFFAOYSA-N 1 1 301.350 2.486 20 5 DEBDMO Cc1ccc(NC2CC[NH+](CCN(C)C)CC2)c([N+](=O)[O-])c1 ZINC000080594986 355372688 /nfs/dbraw/zinc/37/26/88/355372688.db2.gz GWUBDDOYRYRWIN-UHFFFAOYSA-N 1 1 306.410 2.341 20 5 DEBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C1CC1 ZINC000091459688 355596807 /nfs/dbraw/zinc/59/68/07/355596807.db2.gz LHHIWNFZGXXKFS-UHFFFAOYSA-N 1 1 320.349 2.058 20 5 DEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000091454472 355597487 /nfs/dbraw/zinc/59/74/87/355597487.db2.gz LQSOIOFRUCQIED-AWEZNQCLSA-N 1 1 306.410 2.280 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CCOCCO)C1CCC1 ZINC000595599490 358497249 /nfs/dbraw/zinc/49/72/49/358497249.db2.gz WTPRPYRJXGSJSO-UHFFFAOYSA-N 1 1 312.341 2.097 20 5 DEBDMO CCOc1cc(C[NH+]2CCC(C(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000276963948 213206023 /nfs/dbraw/zinc/20/60/23/213206023.db2.gz VUQDFDXSBWZUJY-UHFFFAOYSA-N 1 1 322.361 2.379 20 5 DEBDMO Cc1c(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000121810598 355798075 /nfs/dbraw/zinc/79/80/75/355798075.db2.gz AMHDODKULBYWFW-HNNXBMFYSA-N 1 1 317.389 2.046 20 5 DEBDMO CC[C@@H](C)C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181866960 356098007 /nfs/dbraw/zinc/09/80/07/356098007.db2.gz DVWLUEMSQGZIDV-GFCCVEGCSA-N 1 1 314.407 2.346 20 5 DEBDMO CC[C@@H](C)C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181866960 356098013 /nfs/dbraw/zinc/09/80/13/356098013.db2.gz DVWLUEMSQGZIDV-GFCCVEGCSA-N 1 1 314.407 2.346 20 5 DEBDMO COC[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000251619664 356333024 /nfs/dbraw/zinc/33/30/24/356333024.db2.gz GMKHVHCHTHEMFW-BBRMVZONSA-N 1 1 324.377 2.099 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000255474153 356337867 /nfs/dbraw/zinc/33/78/67/356337867.db2.gz PHUBUNSDTFIZGZ-HYXAFXHYSA-N 1 1 318.373 2.489 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOC2(CCOCC2)C1 ZINC000255474153 356337871 /nfs/dbraw/zinc/33/78/71/356337871.db2.gz PHUBUNSDTFIZGZ-HYXAFXHYSA-N 1 1 318.373 2.489 20 5 DEBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCc1cnccn1 ZINC000271328812 356353386 /nfs/dbraw/zinc/35/33/86/356353386.db2.gz LHTLTGKCVSOSNT-UHFFFAOYSA-N 1 1 316.361 2.328 20 5 DEBDMO Cc1cc(Cc2noc([C@@H]3CC[N@H+](C)C3)n2)ccc1[N+](=O)[O-] ZINC000350159967 356509854 /nfs/dbraw/zinc/50/98/54/356509854.db2.gz GVQJTFQNTROVRF-GFCCVEGCSA-N 1 1 302.334 2.296 20 5 DEBDMO CCOc1cc(C[N@H+]2CCC[C@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000276940668 213190894 /nfs/dbraw/zinc/19/08/94/213190894.db2.gz SCFITPLMKOICJT-GFCCVEGCSA-N 1 1 321.377 2.081 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000590578235 357560539 /nfs/dbraw/zinc/56/05/39/357560539.db2.gz NFJPFHHEQBMXEV-LLVKDONJSA-N 1 1 322.365 2.063 20 5 DEBDMO O=C1NCC[C@@H]1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605783 357566493 /nfs/dbraw/zinc/56/64/93/357566493.db2.gz NTQBXPJDFSAILW-CYBMUJFWSA-N 1 1 303.362 2.085 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000590913240 357642187 /nfs/dbraw/zinc/64/21/87/357642187.db2.gz MECVJRCSQOUPIV-JSGCOSHPSA-N 1 1 320.393 2.391 20 5 DEBDMO COc1cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000593189239 358031516 /nfs/dbraw/zinc/03/15/16/358031516.db2.gz YPWOXSIDLJJGSU-IJLUTSLNSA-N 1 1 321.377 2.157 20 5 DEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CN(C)C(=O)O1 ZINC000495796187 283329092 /nfs/dbraw/zinc/32/90/92/283329092.db2.gz UCYAMSCLVMZBIL-CQSZACIVSA-N 1 1 307.350 2.256 20 5 DEBDMO C[C@H]([NH2+]CC(=O)N(C)c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000180437555 199159670 /nfs/dbraw/zinc/15/96/70/199159670.db2.gz SJZKGYOHWMJETQ-JTQLQIEISA-N 1 1 320.374 2.365 20 5 DEBDMO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000180413513 199155072 /nfs/dbraw/zinc/15/50/72/199155072.db2.gz QXMSMOVOMKYWBP-JTQLQIEISA-N 1 1 304.306 2.181 20 5 DEBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594197370 358221862 /nfs/dbraw/zinc/22/18/62/358221862.db2.gz NHYGGXXIXCUFMG-CVEARBPZSA-N 1 1 317.389 2.270 20 5 DEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])s1 ZINC000594197359 358221977 /nfs/dbraw/zinc/22/19/77/358221977.db2.gz CNMLRQPDJFHEGE-QWRGUYRKSA-N 1 1 309.391 2.403 20 5 DEBDMO CCc1nn(C)c(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594598654 358301994 /nfs/dbraw/zinc/30/19/94/358301994.db2.gz HFPFRROYYXKMMF-CHWSQXEVSA-N 1 1 307.398 2.320 20 5 DEBDMO O=[N+]([O-])c1ccc(Cn2cc(C[NH+]3CCCCC3)nn2)cc1 ZINC000594653956 358311304 /nfs/dbraw/zinc/31/13/04/358311304.db2.gz ZGRHTCTXJBIJRD-UHFFFAOYSA-N 1 1 301.350 2.221 20 5 DEBDMO Cc1c(CNC2CC[NH+]([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000594500361 358284426 /nfs/dbraw/zinc/28/44/26/358284426.db2.gz POVAJRGXXGEINL-INIZCTEOSA-N 1 1 319.405 2.246 20 5 DEBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC1([NH3+])CCCC1 ZINC000594738637 358330562 /nfs/dbraw/zinc/33/05/62/358330562.db2.gz JAKPGHHLKYLEPY-LBPRGKRZSA-N 1 1 320.393 2.173 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c(F)c1 ZINC000594992587 358375450 /nfs/dbraw/zinc/37/54/50/358375450.db2.gz GZCQHVAFOOHYMP-HNNXBMFYSA-N 1 1 323.368 2.077 20 5 DEBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595674527 358518602 /nfs/dbraw/zinc/51/86/02/358518602.db2.gz LDMYGXUISFWVNM-KBPBESRZSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595679795 358520888 /nfs/dbraw/zinc/52/08/88/358520888.db2.gz YHHULKPZCCIAQC-OCCSQVGLSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595679795 358520890 /nfs/dbraw/zinc/52/08/90/358520890.db2.gz YHHULKPZCCIAQC-OCCSQVGLSA-N 1 1 321.377 2.016 20 5 DEBDMO CCC1(CC)CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595752806 358540510 /nfs/dbraw/zinc/54/05/10/358540510.db2.gz OEXMYEWYGVFGQZ-AWEZNQCLSA-N 1 1 310.398 2.054 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595809869 358554184 /nfs/dbraw/zinc/55/41/84/358554184.db2.gz KDHYENSSSWDJMY-RYUDHWBXSA-N 1 1 319.361 2.274 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595703599 358528135 /nfs/dbraw/zinc/52/81/35/358528135.db2.gz UQIDVHBUGIHGIR-UONOGXRCSA-N 1 1 308.378 2.457 20 5 DEBDMO O=c1[nH]ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596054397 358599556 /nfs/dbraw/zinc/59/95/56/358599556.db2.gz SSTGPZIAFIKBOX-CYBMUJFWSA-N 1 1 314.345 2.382 20 5 DEBDMO C[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000596241974 358650306 /nfs/dbraw/zinc/65/03/06/358650306.db2.gz ZNBRPAGMJSYYCE-NSHDSACASA-N 1 1 306.366 2.006 20 5 DEBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000597252939 358870545 /nfs/dbraw/zinc/87/05/45/358870545.db2.gz XCBMTHYEHSBQAS-XQRVVYSFSA-N 1 1 306.362 2.081 20 5 DEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000597715598 358986451 /nfs/dbraw/zinc/98/64/51/358986451.db2.gz NLRGBPLIHJSGLV-INIZCTEOSA-N 1 1 303.362 2.153 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000597717077 358987361 /nfs/dbraw/zinc/98/73/61/358987361.db2.gz YBOUOFQSSZDEDU-QGZVFWFLSA-N 1 1 317.389 2.461 20 5 DEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC000597716707 358987733 /nfs/dbraw/zinc/98/77/33/358987733.db2.gz SEGRQBRRMRQUDM-INIZCTEOSA-N 1 1 321.352 2.292 20 5 DEBDMO CCOc1cc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000598648490 359276470 /nfs/dbraw/zinc/27/64/70/359276470.db2.gz SUOIUSYYVMHLCC-GXTWGEPZSA-N 1 1 308.378 2.444 20 5 DEBDMO C[N@H+]1CCCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000598966424 359370462 /nfs/dbraw/zinc/37/04/62/359370462.db2.gz CZMKDYKVPOGDBC-CQSZACIVSA-N 1 1 320.393 2.126 20 5 DEBDMO COc1cc(CNC[C@@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000598994020 359379180 /nfs/dbraw/zinc/37/91/80/359379180.db2.gz FULLAYVYWZOYQO-LBPRGKRZSA-N 1 1 323.393 2.131 20 5 DEBDMO COc1c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000600314147 359720171 /nfs/dbraw/zinc/72/01/71/359720171.db2.gz LRYDHLHTXWWVHQ-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO C[N@H+]1CCCC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000600315472 359720546 /nfs/dbraw/zinc/72/05/46/359720546.db2.gz UARFKSTZWFPLQS-OAHLLOKOSA-N 1 1 319.405 2.376 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601020449 359897135 /nfs/dbraw/zinc/89/71/35/359897135.db2.gz PUBRTRBQQSCMNN-LLVKDONJSA-N 1 1 309.341 2.194 20 5 DEBDMO CSC[C@@H](CCO)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601121884 359929715 /nfs/dbraw/zinc/92/97/15/359929715.db2.gz QMZAMDVWPNMGSC-SNVBAGLBSA-N 1 1 307.375 2.091 20 5 DEBDMO CCOC(=O)[C@@H](C)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601125653 359931530 /nfs/dbraw/zinc/93/15/30/359931530.db2.gz ILXPUGILXJIEQM-JTQLQIEISA-N 1 1 303.318 2.176 20 5 DEBDMO C[C@](O)(CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000601136057 359936381 /nfs/dbraw/zinc/93/63/81/359936381.db2.gz MWOYEKWPDLLZAL-LBPRGKRZSA-N 1 1 315.251 2.290 20 5 DEBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F)OCCO2 ZINC000601160011 359946756 /nfs/dbraw/zinc/94/67/56/359946756.db2.gz PRENRBWXYZHVRB-RKDXNWHRSA-N 1 1 318.251 2.406 20 5 DEBDMO CC(C)[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000601262572 359986276 /nfs/dbraw/zinc/98/62/76/359986276.db2.gz MGFJQQYXQTYMBB-OAHLLOKOSA-N 1 1 315.377 2.314 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000601332236 360011014 /nfs/dbraw/zinc/01/10/14/360011014.db2.gz GYVRGHHYGHYAOE-AAEUAGOBSA-N 1 1 321.352 2.290 20 5 DEBDMO C[N@@H+](CC(=O)NCCc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000602107536 360267041 /nfs/dbraw/zinc/26/70/41/360267041.db2.gz GQICJJJDRYLMCZ-UHFFFAOYSA-N 1 1 307.394 2.231 20 5 DEBDMO CNC(=O)[C@]1(C)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000281202641 216150813 /nfs/dbraw/zinc/15/08/13/216150813.db2.gz SXPGZSLSJFRDRY-BIENSFFJSA-N 1 1 303.362 2.066 20 5 DEBDMO CO[C@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000602440203 360374132 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DEBDMO COC(=O)c1occc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000539505635 285078895 /nfs/dbraw/zinc/07/88/95/285078895.db2.gz DAOLRBZORICARV-UHFFFAOYSA-N 1 1 320.301 2.143 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000270222632 208289206 /nfs/dbraw/zinc/28/92/06/208289206.db2.gz ZELGMRWSPYDXMV-JMSVASOKSA-N 1 1 321.377 2.015 20 5 DEBDMO CC(C)[C@@H](C)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272950871 210338481 /nfs/dbraw/zinc/33/84/81/210338481.db2.gz PTIVPGXQJRRBRM-GFCCVEGCSA-N 1 1 314.407 2.345 20 5 DEBDMO CC(C)[C@@H](C)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272950871 210338475 /nfs/dbraw/zinc/33/84/75/210338475.db2.gz PTIVPGXQJRRBRM-GFCCVEGCSA-N 1 1 314.407 2.345 20 5 DEBDMO Cc1cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000157027887 197156347 /nfs/dbraw/zinc/15/63/47/197156347.db2.gz DMUUWAMVFUIZTH-GDBMZVCRSA-N 1 1 317.389 2.460 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000155502475 197060754 /nfs/dbraw/zinc/06/07/54/197060754.db2.gz BNQAELSOZBOHJC-ZFWWWQNUSA-N 1 1 303.362 2.151 20 5 DEBDMO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000120640848 195207665 /nfs/dbraw/zinc/20/76/65/195207665.db2.gz IEBFBVKYRNIUBC-FZMZJTMJSA-N 1 1 305.378 2.315 20 5 DEBDMO CNc1ccc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000543754382 285316464 /nfs/dbraw/zinc/31/64/64/285316464.db2.gz NHAKXMAJXZOPOR-LLVKDONJSA-N 1 1 318.377 2.017 20 5 DEBDMO COc1ccc(OCC[NH2+][C@@H](C)c2nnc(C)o2)c([N+](=O)[O-])c1 ZINC000544518017 285354481 /nfs/dbraw/zinc/35/44/81/285354481.db2.gz IUNPEHCSTCIQDV-VIFPVBQESA-N 1 1 322.321 2.024 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000355682388 533383403 /nfs/dbraw/zinc/38/34/03/533383403.db2.gz OQGKKRSEUZPEOC-IYCSXQJISA-N 1 1 303.362 2.195 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000341195827 132631518 /nfs/dbraw/zinc/63/15/18/132631518.db2.gz IJLVEKQLFNFPCF-OCCSQVGLSA-N 1 1 320.393 2.219 20 5 DEBDMO CC(C)[NH+](CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000355379255 133022848 /nfs/dbraw/zinc/02/28/48/133022848.db2.gz GZDYQAZHWUWJEO-UHFFFAOYSA-N 1 1 309.366 2.149 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000357775187 133099329 /nfs/dbraw/zinc/09/93/29/133099329.db2.gz OJHFSJWVXMJEBV-NSHDSACASA-N 1 1 308.382 2.226 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC=C(C)CC2)c1 ZINC000358066835 133118365 /nfs/dbraw/zinc/11/83/65/133118365.db2.gz NAHMIYAPAFAKSU-UHFFFAOYSA-N 1 1 303.362 2.285 20 5 DEBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CC=CCC1 ZINC000362249977 133219918 /nfs/dbraw/zinc/21/99/18/133219918.db2.gz NJXDPUVKHZYSOG-CQSZACIVSA-N 1 1 308.382 2.096 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000362407027 133228572 /nfs/dbraw/zinc/22/85/72/133228572.db2.gz YSPHWMABEWQLIO-WBMJQRKESA-N 1 1 303.362 2.258 20 5 DEBDMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000372587390 133359533 /nfs/dbraw/zinc/35/95/33/133359533.db2.gz MSBXQDHNYHIDGI-KGLIPLIRSA-N 1 1 303.362 2.260 20 5 DEBDMO C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000563357942 292049327 /nfs/dbraw/zinc/04/93/27/292049327.db2.gz WZBCAUNPNABUGG-UHFFFAOYSA-N 1 1 304.350 2.262 20 5 DEBDMO C[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000564717995 292106822 /nfs/dbraw/zinc/10/68/22/292106822.db2.gz DRFIKZVCUFTSKU-DOMZBBRYSA-N 1 1 305.378 2.251 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000565028886 292128197 /nfs/dbraw/zinc/12/81/97/292128197.db2.gz PRDHTWHLOXJVOT-LLVKDONJSA-N 1 1 324.406 2.012 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000565028886 292128198 /nfs/dbraw/zinc/12/81/98/292128198.db2.gz PRDHTWHLOXJVOT-LLVKDONJSA-N 1 1 324.406 2.012 20 5 DEBDMO C[C@@H]1C[N@H+](CCCCNc2ncc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000190334443 145040391 /nfs/dbraw/zinc/04/03/91/145040391.db2.gz VCWHWGWJHOFLRE-PHIMTYICSA-N 1 1 314.411 2.353 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000247526794 145140131 /nfs/dbraw/zinc/14/01/31/145140131.db2.gz ZLLRCCKCLCFSKZ-BLLLJJGKSA-N 1 1 319.361 2.034 20 5 DEBDMO Cc1ccc([C@H](C)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000321505607 145377210 /nfs/dbraw/zinc/37/72/10/145377210.db2.gz BGSRVDBMRWURSV-BPUTZDHNSA-N 1 1 319.405 2.417 20 5 DEBDMO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000321505607 145377211 /nfs/dbraw/zinc/37/72/11/145377211.db2.gz BGSRVDBMRWURSV-BPUTZDHNSA-N 1 1 319.405 2.417 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345962937 145991398 /nfs/dbraw/zinc/99/13/98/145991398.db2.gz PWGDQVJJYRORSO-CHWSQXEVSA-N 1 1 305.378 2.078 20 5 DEBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346158916 146026806 /nfs/dbraw/zinc/02/68/06/146026806.db2.gz CRUYXYBRUXJBMT-XEZPLFJOSA-N 1 1 317.389 2.397 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000346759811 146138013 /nfs/dbraw/zinc/13/80/13/146138013.db2.gz IRLFIBFTRLCVII-SNVBAGLBSA-N 1 1 310.329 2.292 20 5 DEBDMO CO[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374679176 148276805 /nfs/dbraw/zinc/27/68/05/148276805.db2.gz MRBOBDHRTMMGFQ-OAHLLOKOSA-N 1 1 321.377 2.424 20 5 DEBDMO COCC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000112355646 401740840 /nfs/dbraw/zinc/74/08/40/401740840.db2.gz LMTLWIFHZUVJTC-GFCCVEGCSA-N 1 1 321.377 2.280 20 5 DEBDMO CCOC(=O)c1ccnc(NCC[N@@H+](C)[C@H](C)CC)c1[N+](=O)[O-] ZINC000077963220 401836902 /nfs/dbraw/zinc/83/69/02/401836902.db2.gz MWBJFQGIOISBLR-LLVKDONJSA-N 1 1 324.381 2.309 20 5 DEBDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135336842 401936501 /nfs/dbraw/zinc/93/65/01/401936501.db2.gz GVYUJHKMLYGCDF-VHDGCEQUSA-N 1 1 310.398 2.053 20 5 DEBDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000120713146 401999505 /nfs/dbraw/zinc/99/95/05/401999505.db2.gz HHXOIMMXSSDFME-SNPRPXQTSA-N 1 1 310.398 2.053 20 5 DEBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000121450410 402036776 /nfs/dbraw/zinc/03/67/76/402036776.db2.gz IDEYPYZRQSHNJN-WUTVXBCWSA-N 1 1 315.373 2.351 20 5 DEBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000121450410 402036779 /nfs/dbraw/zinc/03/67/79/402036779.db2.gz IDEYPYZRQSHNJN-WUTVXBCWSA-N 1 1 315.373 2.351 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152801997 402109716 /nfs/dbraw/zinc/10/97/16/402109716.db2.gz KUIFJGJIHYISBJ-TXEJJXNPSA-N 1 1 319.361 2.274 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000152928850 402117422 /nfs/dbraw/zinc/11/74/22/402117422.db2.gz ZBTMJZCZTYGDKI-CZUORRHYSA-N 1 1 306.362 2.475 20 5 DEBDMO O=C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000153252998 402135385 /nfs/dbraw/zinc/13/53/85/402135385.db2.gz RCWQMVZLGPTRBT-OKILXGFUSA-N 1 1 315.373 2.216 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068240349 402189349 /nfs/dbraw/zinc/18/93/49/402189349.db2.gz GSABILDXKVRZEJ-UHFFFAOYSA-N 1 1 311.769 2.416 20 5 DEBDMO Cc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000154063003 402189911 /nfs/dbraw/zinc/18/99/11/402189911.db2.gz HXYKTJDYVUDPDD-OAHLLOKOSA-N 1 1 305.378 2.315 20 5 DEBDMO Cc1c(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000154063003 402189915 /nfs/dbraw/zinc/18/99/15/402189915.db2.gz HXYKTJDYVUDPDD-OAHLLOKOSA-N 1 1 305.378 2.315 20 5 DEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000067701467 402168572 /nfs/dbraw/zinc/16/85/72/402168572.db2.gz KXUVBPNKOCWIRV-NSHDSACASA-N 1 1 323.418 2.286 20 5 DEBDMO CCOC(=O)c1cc(NCC[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000338709622 404490520 /nfs/dbraw/zinc/49/05/20/404490520.db2.gz DUUZQROWSONSCP-UHFFFAOYSA-N 1 1 319.361 2.445 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000069855785 402247670 /nfs/dbraw/zinc/24/76/70/402247670.db2.gz JJSACKZICBEYRM-MRXNPFEDSA-N 1 1 319.405 2.139 20 5 DEBDMO O=[N+]([O-])c1ccc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069855785 402247673 /nfs/dbraw/zinc/24/76/73/402247673.db2.gz JJSACKZICBEYRM-MRXNPFEDSA-N 1 1 319.405 2.139 20 5 DEBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000108783377 402261450 /nfs/dbraw/zinc/26/14/50/402261450.db2.gz OZNPGKMXHJSSPN-GFCCVEGCSA-N 1 1 303.362 2.117 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000176262111 402295035 /nfs/dbraw/zinc/29/50/35/402295035.db2.gz KMNDCRYBARHQTI-HNNXBMFYSA-N 1 1 300.362 2.356 20 5 DEBDMO COc1ccc(CN2CC[N@@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000184741594 402296742 /nfs/dbraw/zinc/29/67/42/402296742.db2.gz YLFUMHXGTQCALG-OAHLLOKOSA-N 1 1 307.394 2.375 20 5 DEBDMO CC(C)[NH+]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000184797279 402300756 /nfs/dbraw/zinc/30/07/56/402300756.db2.gz JGMPUOSGOFFFHO-GFCCVEGCSA-N 1 1 323.368 2.390 20 5 DEBDMO Cn1cncc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177162724 402377345 /nfs/dbraw/zinc/37/73/45/402377345.db2.gz TVZQAIJVUIKFTF-UHFFFAOYSA-N 1 1 316.361 2.372 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178177466 402468348 /nfs/dbraw/zinc/46/83/48/402468348.db2.gz UVLFMLJJYJIBRS-VXGBXAGGSA-N 1 1 320.393 2.027 20 5 DEBDMO CO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246074208 402507129 /nfs/dbraw/zinc/50/71/29/402507129.db2.gz DCKINWOMCYJYBT-QWHCGFSZSA-N 1 1 321.377 2.341 20 5 DEBDMO CO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246074208 402507133 /nfs/dbraw/zinc/50/71/33/402507133.db2.gz DCKINWOMCYJYBT-QWHCGFSZSA-N 1 1 321.377 2.341 20 5 DEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000170774701 402523807 /nfs/dbraw/zinc/52/38/07/402523807.db2.gz JVTUOKUYNBNNHI-GFCCVEGCSA-N 1 1 307.350 2.034 20 5 DEBDMO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000170773806 402523840 /nfs/dbraw/zinc/52/38/40/402523840.db2.gz VATYZPQBMQBDBL-NSHDSACASA-N 1 1 318.333 2.256 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000170773806 402523841 /nfs/dbraw/zinc/52/38/41/402523841.db2.gz VATYZPQBMQBDBL-NSHDSACASA-N 1 1 318.333 2.256 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([NH3+])C[C@H]1C ZINC000566414391 292236476 /nfs/dbraw/zinc/23/64/76/292236476.db2.gz ZPMBPJDPRHWLPP-OLZOCXBDSA-N 1 1 320.393 2.043 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C1CC1 ZINC000191194314 402649844 /nfs/dbraw/zinc/64/98/44/402649844.db2.gz OSKFSGYQYMLMAR-UHFFFAOYSA-N 1 1 321.377 2.126 20 5 DEBDMO CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000255568200 402691212 /nfs/dbraw/zinc/69/12/12/402691212.db2.gz YMKHTTIILQEAFI-YYRKOSNBSA-N 1 1 303.362 2.161 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](C)C(=O)OC ZINC000175101032 402779233 /nfs/dbraw/zinc/77/92/33/402779233.db2.gz ARFOVATTXCHGDN-NSHDSACASA-N 1 1 310.350 2.234 20 5 DEBDMO COc1cc(C[NH+]2CCC(C)(CO)CC2)c([N+](=O)[O-])cc1F ZINC000184409240 402842392 /nfs/dbraw/zinc/84/23/92/402842392.db2.gz AGDJVMDKFFYYGL-UHFFFAOYSA-N 1 1 312.341 2.337 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272562812 402953652 /nfs/dbraw/zinc/95/36/52/402953652.db2.gz ULGFHNGZPFASRH-HOCLYGCPSA-N 1 1 317.389 2.080 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000273469958 403007668 /nfs/dbraw/zinc/00/76/68/403007668.db2.gz OKLNZBLCDNVPOY-ZIAGYGMSSA-N 1 1 322.340 2.482 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](c3ccccc3F)C2)n1 ZINC000267077787 403013422 /nfs/dbraw/zinc/01/34/22/403013422.db2.gz MIYFREFJUPMLFV-GFCCVEGCSA-N 1 1 304.325 2.420 20 5 DEBDMO Cc1ccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268247775 403066533 /nfs/dbraw/zinc/06/65/33/403066533.db2.gz PZFKWNVLYVKWKA-RISCZKNCSA-N 1 1 303.362 2.116 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268294009 403070904 /nfs/dbraw/zinc/07/09/04/403070904.db2.gz ZVNXOGNCXDUACE-BLLLJJGKSA-N 1 1 317.389 2.126 20 5 DEBDMO CCN1CC[NH+]([C@@H]2CCN(c3cccc(C)c3[N+](=O)[O-])C2)CC1 ZINC000275376605 403101989 /nfs/dbraw/zinc/10/19/89/403101989.db2.gz ANIXHOGYDGXOFI-OAHLLOKOSA-N 1 1 318.421 2.119 20 5 DEBDMO CCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276322507 403163851 /nfs/dbraw/zinc/16/38/51/403163851.db2.gz OZQRWNRPCSBNMS-UHFFFAOYSA-N 1 1 323.368 2.472 20 5 DEBDMO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282321892 403142891 /nfs/dbraw/zinc/14/28/91/403142891.db2.gz ABHCFCCJIUWUGH-OLZOCXBDSA-N 1 1 307.394 2.372 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000270703323 403214540 /nfs/dbraw/zinc/21/45/40/403214540.db2.gz GBBAXSVTPCPBLR-ZDUSSCGKSA-N 1 1 321.377 2.424 20 5 DEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277494917 403223674 /nfs/dbraw/zinc/22/36/74/403223674.db2.gz JRIBUACYBOYISM-INIZCTEOSA-N 1 1 317.389 2.270 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000283452876 403198515 /nfs/dbraw/zinc/19/85/15/403198515.db2.gz KZHHZFZYCYOQJX-LBPRGKRZSA-N 1 1 321.377 2.208 20 5 DEBDMO CC[C@@H](CO)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000342668139 403302979 /nfs/dbraw/zinc/30/29/79/403302979.db2.gz WTPKBXQPJVFNLG-HNNXBMFYSA-N 1 1 318.377 2.064 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270926401 403240894 /nfs/dbraw/zinc/24/08/94/403240894.db2.gz PPGDSCLRJKZTFD-OLZOCXBDSA-N 1 1 303.362 2.353 20 5 DEBDMO CCC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277648729 403241131 /nfs/dbraw/zinc/24/11/31/403241131.db2.gz CSQHIADQUQHBOW-INIZCTEOSA-N 1 1 321.377 2.160 20 5 DEBDMO C[N@@H+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC000270948865 403243964 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2.208 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000331464057 403391126 /nfs/dbraw/zinc/39/11/26/403391126.db2.gz HGHACMSKOMCSAI-LLVKDONJSA-N 1 1 309.753 2.215 20 5 DEBDMO Cc1c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000286024261 403432995 /nfs/dbraw/zinc/43/29/95/403432995.db2.gz QBIRKGPGFBJNJF-CJNGLKHVSA-N 1 1 319.405 2.198 20 5 DEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298756773 403457202 /nfs/dbraw/zinc/45/72/02/403457202.db2.gz STVHXSRKTKBWPL-KBPBESRZSA-N 1 1 304.350 2.343 20 5 DEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298756782 403457269 /nfs/dbraw/zinc/45/72/69/403457269.db2.gz STVHXSRKTKBWPL-KGLIPLIRSA-N 1 1 304.350 2.343 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345727653 403458017 /nfs/dbraw/zinc/45/80/17/403458017.db2.gz ZUBYQVDBGDBDCO-CHWSQXEVSA-N 1 1 320.393 2.219 20 5 DEBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000286423576 403523292 /nfs/dbraw/zinc/52/32/92/403523292.db2.gz KRLFJCNXWNFABG-AWEZNQCLSA-N 1 1 305.378 2.476 20 5 DEBDMO CO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000332234837 403524066 /nfs/dbraw/zinc/52/40/66/403524066.db2.gz POFJAHLIOTYXFD-PWSUYJOCSA-N 1 1 304.350 2.470 20 5 DEBDMO CO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000332234837 403524068 /nfs/dbraw/zinc/52/40/68/403524068.db2.gz POFJAHLIOTYXFD-PWSUYJOCSA-N 1 1 304.350 2.470 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343470843 403604372 /nfs/dbraw/zinc/60/43/72/403604372.db2.gz YEDBAVSSYCVWRG-NOZJJQNGSA-N 1 1 311.769 2.461 20 5 DEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340318581 403577647 /nfs/dbraw/zinc/57/76/47/403577647.db2.gz WCTKDJRWAZVPHS-ZDUSSCGKSA-N 1 1 319.405 2.425 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000293854667 403581512 /nfs/dbraw/zinc/58/15/12/403581512.db2.gz 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2.472 20 5 DEBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000347677559 403801992 /nfs/dbraw/zinc/80/19/92/403801992.db2.gz WLQJSWUDDTVWPX-ZDUSSCGKSA-N 1 1 323.368 2.472 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCC[N@H+](C)CCN(C)C ZINC000344059337 403882794 /nfs/dbraw/zinc/88/27/94/403882794.db2.gz LPXOXYJPMUTLLS-OAHLLOKOSA-N 1 1 322.453 2.471 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCC[N@@H+](C)CCN(C)C ZINC000344059337 403882797 /nfs/dbraw/zinc/88/27/97/403882797.db2.gz LPXOXYJPMUTLLS-OAHLLOKOSA-N 1 1 322.453 2.471 20 5 DEBDMO CO[C@@H](C)C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289262562 403887951 /nfs/dbraw/zinc/88/79/51/403887951.db2.gz FRIYPZPIPLAIJN-LBPRGKRZSA-N 1 1 318.377 2.462 20 5 DEBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000411933196 404022564 /nfs/dbraw/zinc/02/25/64/404022564.db2.gz BUFKUUXOMARHQV-JTQLQIEISA-N 1 1 311.769 2.158 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc(C3OCCO3)s2)cc1 ZINC000290203589 404079139 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312.341 2.335 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412084197 404119150 /nfs/dbraw/zinc/11/91/50/404119150.db2.gz NOAPJNFABODCQL-QWHCGFSZSA-N 1 1 324.377 2.075 20 5 DEBDMO CS[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000296368365 404216121 /nfs/dbraw/zinc/21/61/21/404216121.db2.gz RGXACUZFLOEMDT-GWCFXTLKSA-N 1 1 309.391 2.359 20 5 DEBDMO CS[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000296368365 404216125 /nfs/dbraw/zinc/21/61/25/404216125.db2.gz RGXACUZFLOEMDT-GWCFXTLKSA-N 1 1 309.391 2.359 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350167075 404338498 /nfs/dbraw/zinc/33/84/98/404338498.db2.gz WKOJJCWUQQHGMP-QLFBSQMISA-N 1 1 321.425 2.129 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000344696338 404313970 /nfs/dbraw/zinc/31/39/70/404313970.db2.gz TXXAOVGDZUYTOH-AWEZNQCLSA-N 1 1 305.378 2.445 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000352365848 404318427 /nfs/dbraw/zinc/31/84/27/404318427.db2.gz XUXDFPNVSSUNIU-AWEZNQCLSA-N 1 1 318.377 2.178 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000370056831 404319537 /nfs/dbraw/zinc/31/95/37/404319537.db2.gz SQIWFSFRUDWYEF-AWEZNQCLSA-N 1 1 316.361 2.372 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000370056831 404319539 /nfs/dbraw/zinc/31/95/39/404319539.db2.gz SQIWFSFRUDWYEF-AWEZNQCLSA-N 1 1 316.361 2.372 20 5 DEBDMO CC(C)SCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297299052 404543354 /nfs/dbraw/zinc/54/33/54/404543354.db2.gz AHPOMXQHCFRJKU-UHFFFAOYSA-N 1 1 310.423 2.253 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352696339 404555349 /nfs/dbraw/zinc/55/53/49/404555349.db2.gz JMTABSUQYQIWAY-LSDHHAIUSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352696337 404555458 /nfs/dbraw/zinc/55/54/58/404555458.db2.gz JMTABSUQYQIWAY-CABCVRRESA-N 1 1 321.377 2.077 20 5 DEBDMO COc1ccc(NC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000345118294 404559814 /nfs/dbraw/zinc/55/98/14/404559814.db2.gz VZAHGEBALBVXBH-JQWIXIFHSA-N 1 1 322.365 2.208 20 5 DEBDMO Cc1occc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000414428160 404626587 /nfs/dbraw/zinc/62/65/87/404626587.db2.gz GJXLFQZAZFMVTC-UHFFFAOYSA-N 1 1 324.358 2.060 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342611306 404677109 /nfs/dbraw/zinc/67/71/09/404677109.db2.gz XMVRCGPVRWHJKY-STQMWFEESA-N 1 1 321.377 2.423 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000352882420 404680163 /nfs/dbraw/zinc/68/01/63/404680163.db2.gz IPCGHSXCNQJNKO-GFCCVEGCSA-N 1 1 306.366 2.367 20 5 DEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000330569672 404691211 /nfs/dbraw/zinc/69/12/11/404691211.db2.gz OAAPYRIJOSEBTQ-GFCCVEGCSA-N 1 1 322.409 2.174 20 5 DEBDMO CO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000374674706 404710689 /nfs/dbraw/zinc/71/06/89/404710689.db2.gz CYHVKFFZZPHWRK-OAHLLOKOSA-N 1 1 322.361 2.462 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000356869842 404712565 /nfs/dbraw/zinc/71/25/65/404712565.db2.gz IDYWSGMIBPBIJO-VXGBXAGGSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000356869842 404712568 /nfs/dbraw/zinc/71/25/68/404712568.db2.gz IDYWSGMIBPBIJO-VXGBXAGGSA-N 1 1 321.377 2.158 20 5 DEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](CC2CC2)CC1 ZINC000360960833 404862529 /nfs/dbraw/zinc/86/25/29/404862529.db2.gz NEMYHISWPPPBII-UHFFFAOYSA-N 1 1 303.362 2.329 20 5 DEBDMO COCC1(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000361316164 405018666 /nfs/dbraw/zinc/01/86/66/405018666.db2.gz VEEDFMNQDJKKNB-CYBMUJFWSA-N 1 1 320.393 2.293 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000354217418 405104727 /nfs/dbraw/zinc/10/47/27/405104727.db2.gz LSQXVLNZXUQWHR-ZDUSSCGKSA-N 1 1 319.405 2.425 20 5 DEBDMO CC[N@H+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000354217418 405104730 /nfs/dbraw/zinc/10/47/30/405104730.db2.gz LSQXVLNZXUQWHR-ZDUSSCGKSA-N 1 1 319.405 2.425 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451984313 405117440 /nfs/dbraw/zinc/11/74/40/405117440.db2.gz DAPXXYAHMOKPRL-STQMWFEESA-N 1 1 320.393 2.391 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451984313 405117447 /nfs/dbraw/zinc/11/74/47/405117447.db2.gz DAPXXYAHMOKPRL-STQMWFEESA-N 1 1 320.393 2.391 20 5 DEBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000408453152 405209975 /nfs/dbraw/zinc/20/99/75/405209975.db2.gz PLYAYHBVAJUKCM-XHDPSFHLSA-N 1 1 318.377 2.012 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(c3c4c(ccc3[N+](=O)[O-])NCC4)[C@@H]2C1 ZINC000425276414 405267223 /nfs/dbraw/zinc/26/72/23/405267223.db2.gz BWVUBTFAGYKILX-XHDPSFHLSA-N 1 1 302.378 2.093 20 5 DEBDMO CC(C)c1ccc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000452982882 405269699 /nfs/dbraw/zinc/26/96/99/405269699.db2.gz YHYQQAAQDDXGSK-XJKSGUPXSA-N 1 1 317.389 2.494 20 5 DEBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419329621 405239219 /nfs/dbraw/zinc/23/92/19/405239219.db2.gz PZSFSUZEZNFHKN-SOUVJXGZSA-N 1 1 324.425 2.299 20 5 DEBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419329620 405239604 /nfs/dbraw/zinc/23/96/04/405239604.db2.gz PZSFSUZEZNFHKN-RRFJBIMHSA-N 1 1 324.425 2.299 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425627804 405308926 /nfs/dbraw/zinc/30/89/26/405308926.db2.gz WGVHDWYGBLSSFI-SWLSCSKDSA-N 1 1 318.377 2.461 20 5 DEBDMO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000425987128 405334109 /nfs/dbraw/zinc/33/41/09/405334109.db2.gz IPVHSDOHUMDMSA-NXEZZACHSA-N 1 1 316.304 2.399 20 5 DEBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000425987128 405334111 /nfs/dbraw/zinc/33/41/11/405334111.db2.gz IPVHSDOHUMDMSA-NXEZZACHSA-N 1 1 316.304 2.399 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426197349 405343194 /nfs/dbraw/zinc/34/31/94/405343194.db2.gz BWIJZWWJIAZHCV-NILFDRSVSA-N 1 1 321.377 2.157 20 5 DEBDMO C[C@@H](NC(=O)N(C)C[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000420824869 405391476 /nfs/dbraw/zinc/39/14/76/405391476.db2.gz RGCREPMFJAUASG-IUODEOHRSA-N 1 1 320.393 2.391 20 5 DEBDMO COc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000446845630 405394990 /nfs/dbraw/zinc/39/49/90/405394990.db2.gz OYSWRQZAVNFJIU-UHFFFAOYSA-N 1 1 313.317 2.165 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](CCO)CC3)nc2c1 ZINC000421022767 405432716 /nfs/dbraw/zinc/43/27/16/405432716.db2.gz VECLLWSGLITCMM-GFCCVEGCSA-N 1 1 318.377 2.456 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000421501919 405521817 /nfs/dbraw/zinc/52/18/17/405521817.db2.gz DMXIOIQWIIBNRA-OCCSQVGLSA-N 1 1 305.378 2.424 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493803337 405566047 /nfs/dbraw/zinc/56/60/47/405566047.db2.gz OFVANRCAZUEICG-VSGCLNPGSA-N 1 1 303.362 2.161 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421747757 405625853 /nfs/dbraw/zinc/62/58/53/405625853.db2.gz JHIYLKUULJGAHG-ZDUSSCGKSA-N 1 1 305.378 2.283 20 5 DEBDMO COc1cc(C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000449495209 405581555 /nfs/dbraw/zinc/58/15/55/405581555.db2.gz HMTXKQIYQZUPMN-FZMZJTMJSA-N 1 1 324.377 2.469 20 5 DEBDMO C[C@H](NC(=O)NCC[N@@H+]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000458885635 405639467 /nfs/dbraw/zinc/63/94/67/405639467.db2.gz GQNGWPCOVKCJED-ZDUSSCGKSA-N 1 1 318.377 2.217 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000560097572 405768552 /nfs/dbraw/zinc/76/85/52/405768552.db2.gz WZXSJCACHUWTHJ-CYBMUJFWSA-N 1 1 319.405 2.330 20 5 DEBDMO COC(=O)Cc1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000450355066 405852798 /nfs/dbraw/zinc/85/27/98/405852798.db2.gz PLYXOTSZHXBSJN-YPMHNXCESA-N 1 1 321.377 2.205 20 5 DEBDMO CC(C)c1ccc(C(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000423555561 405855137 /nfs/dbraw/zinc/85/51/37/405855137.db2.gz XXMILQHUFGHVGK-UHFFFAOYSA-N 1 1 301.293 2.042 20 5 DEBDMO CC(C)[NH+]1CC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000457714708 405966469 /nfs/dbraw/zinc/96/64/69/405966469.db2.gz CYHRYPYQJXBNJX-UHFFFAOYSA-N 1 1 323.368 2.220 20 5 DEBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCOCC1 ZINC000531343184 405945624 /nfs/dbraw/zinc/94/56/24/405945624.db2.gz DBNWRVSRXOMJGB-UHFFFAOYSA-N 1 1 318.333 2.256 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000457614109 405920549 /nfs/dbraw/zinc/92/05/49/405920549.db2.gz DYTHEAMFRRHZCP-CYBMUJFWSA-N 1 1 320.393 2.126 20 5 DEBDMO O=C(C[NH+]1C2CCC1CC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533237169 406130463 /nfs/dbraw/zinc/13/04/63/406130463.db2.gz BYTIGVHXKLIBGN-UHFFFAOYSA-N 1 1 301.346 2.111 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000487082581 406203287 /nfs/dbraw/zinc/20/32/87/406203287.db2.gz DWXXFXMOBZHMLA-OAHLLOKOSA-N 1 1 320.393 2.076 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000535742099 406233949 /nfs/dbraw/zinc/23/39/49/406233949.db2.gz DPUINOGVXKKTGL-VXGBXAGGSA-N 1 1 320.393 2.191 20 5 DEBDMO CCc1nn(C)c(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488755662 406344538 /nfs/dbraw/zinc/34/45/38/406344538.db2.gz TUHQNGJHQPARSB-SGMGOOAPSA-N 1 1 321.425 2.057 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000569783592 406300963 /nfs/dbraw/zinc/30/09/63/406300963.db2.gz HFMNUIJVAWACOP-ZDUSSCGKSA-N 1 1 306.366 2.461 20 5 DEBDMO CC(C)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000489391814 406401812 /nfs/dbraw/zinc/40/18/12/406401812.db2.gz JWXSBYQJOWQNPN-HNNXBMFYSA-N 1 1 323.368 2.075 20 5 DEBDMO CNc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000523741595 406435122 /nfs/dbraw/zinc/43/51/22/406435122.db2.gz SXRAGMJWSSRXIK-LBPRGKRZSA-N 1 1 320.393 2.050 20 5 DEBDMO CC(C)[C@@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000571016070 406465602 /nfs/dbraw/zinc/46/56/02/406465602.db2.gz DBUHPCWNVZQEDV-CJNGLKHVSA-N 1 1 319.405 2.497 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491292379 406562531 /nfs/dbraw/zinc/56/25/31/406562531.db2.gz XNJOHVQDNRUCIO-YVMONPNESA-N 1 1 314.345 2.319 20 5 DEBDMO CC[N@@H+](CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000133199783 196320513 /nfs/dbraw/zinc/32/05/13/196320513.db2.gz BUNJDVVCFNMXLJ-UHFFFAOYSA-N 1 1 305.378 2.430 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000290954182 222027424 /nfs/dbraw/zinc/02/74/24/222027424.db2.gz MXKHQCYWNRZIME-CYBMUJFWSA-N 1 1 307.394 2.374 20 5 DEBDMO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](C)OC ZINC000291012904 222070099 /nfs/dbraw/zinc/07/00/99/222070099.db2.gz BGDMBRLTJUHGRW-NSHDSACASA-N 1 1 310.350 2.318 20 5 DEBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC000299224639 229003465 /nfs/dbraw/zinc/00/34/65/229003465.db2.gz AWTPIQZTJYFFLM-LSDHHAIUSA-N 1 1 303.362 2.260 20 5 DEBDMO C[N@@H+](CCCCNc1ncnc2cccc([N+](=O)[O-])c21)C1CC1 ZINC000413349523 424943993 /nfs/dbraw/zinc/94/39/93/424943993.db2.gz SKERFNADOPMALO-UHFFFAOYSA-N 1 1 315.377 2.824 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000518057097 269396335 /nfs/dbraw/zinc/39/63/35/269396335.db2.gz NIRQNFYFASJZPO-ZDUSSCGKSA-N 1 1 322.409 2.318 20 5 DEBDMO O=C1[C@H]([N@H+]2CC[C@@H](C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344022125 275029715 /nfs/dbraw/zinc/02/97/15/275029715.db2.gz CVTNTBPRCSTVQE-CZUORRHYSA-N 1 1 315.373 2.432 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000104409231 276130167 /nfs/dbraw/zinc/13/01/67/276130167.db2.gz MHTZVMRJOHPQEN-UHFFFAOYSA-N 1 1 311.769 2.462 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000369844016 277174674 /nfs/dbraw/zinc/17/46/74/277174674.db2.gz AAGOGEMYLDPBBG-SMDDNHRTSA-N 1 1 304.350 2.153 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000285583216 281022780 /nfs/dbraw/zinc/02/27/80/281022780.db2.gz BNJGTLLPJKBMKJ-GLQYFDAESA-N 1 1 318.377 2.062 20 5 DEBDMO O=C(CC[N@H+]1CC[C@@H]2OCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000572997935 326009815 /nfs/dbraw/zinc/00/98/15/326009815.db2.gz YRBUWBFQLGTVRN-DOMZBBRYSA-N 1 1 319.361 2.034 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000574925960 326202334 /nfs/dbraw/zinc/20/23/34/326202334.db2.gz PRLUDWRRUFFHLP-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000574925960 326202336 /nfs/dbraw/zinc/20/23/36/326202336.db2.gz PRLUDWRRUFFHLP-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO Cc1cnccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000577030578 326336739 /nfs/dbraw/zinc/33/67/39/326336739.db2.gz OMUXHAJUQQYPMS-UHFFFAOYSA-N 1 1 313.361 2.015 20 5 DEBDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000583675470 336395127 /nfs/dbraw/zinc/39/51/27/336395127.db2.gz GCWGUVJKCXDUNF-GJZGRUSLSA-N 1 1 317.389 2.253 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000294169294 534334168 /nfs/dbraw/zinc/33/41/68/534334168.db2.gz OLJMAVONLJRPAW-KRWDZBQOSA-N 1 1 317.389 2.461 20 5 DEBDMO CC(C)OCC[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338362716 519770199 /nfs/dbraw/zinc/77/01/99/519770199.db2.gz VGMGAGQPPFNQRI-INIZCTEOSA-N 1 1 310.394 2.245 20 5 DEBDMO CCOCCO[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000157688505 520031528 /nfs/dbraw/zinc/03/15/28/520031528.db2.gz VZOQQQDNEQVIAG-INIZCTEOSA-N 1 1 324.377 2.101 20 5 DEBDMO COC[C@H]1CCCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000364127479 522819627 /nfs/dbraw/zinc/81/96/27/522819627.db2.gz OARVYWHYIYIKJJ-BBRMVZONSA-N 1 1 308.378 2.377 20 5 DEBDMO COCc1ccc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000130961578 523014891 /nfs/dbraw/zinc/01/48/91/523014891.db2.gz OAUZREQUTQEYHY-AWEZNQCLSA-N 1 1 320.349 2.368 20 5 DEBDMO CO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246175231 523602988 /nfs/dbraw/zinc/60/29/88/523602988.db2.gz YOIPRJUVSOPFJK-BXUZGUMPSA-N 1 1 307.350 2.033 20 5 DEBDMO CO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246175231 523603000 /nfs/dbraw/zinc/60/30/00/523603000.db2.gz YOIPRJUVSOPFJK-BXUZGUMPSA-N 1 1 307.350 2.033 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000299484151 534773339 /nfs/dbraw/zinc/77/33/39/534773339.db2.gz HTNVTIMVCDYZAW-UHFFFAOYSA-N 1 1 320.374 2.008 20 5 DEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368304612 534879796 /nfs/dbraw/zinc/87/97/96/534879796.db2.gz OKGLZLUDQCNBOO-MRXNPFEDSA-N 1 1 303.362 2.329 20 5 DEBDMO NC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000157158127 527007588 /nfs/dbraw/zinc/00/75/88/527007588.db2.gz JNEWSXJRJLPMOY-LBPRGKRZSA-N 1 1 315.329 2.162 20 5 DEBDMO CC[N@@H+](C)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294974049 527798742 /nfs/dbraw/zinc/79/87/42/527798742.db2.gz QZIVOMDHAOEQAR-UHFFFAOYSA-N 1 1 319.283 2.295 20 5 DEBDMO C[N@@H+](CCCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000305990407 536358629 /nfs/dbraw/zinc/35/86/29/536358629.db2.gz MACOEBXRGWDDMJ-UHFFFAOYSA-N 1 1 303.156 2.172 20 5 DEBDMO COc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358027394 536898919 /nfs/dbraw/zinc/89/89/19/536898919.db2.gz RBIADXIJEULZCW-YRGRVCCFSA-N 1 1 307.394 2.422 20 5 DEBDMO C[C@H]1C[NH+](CCN2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC001330547570 1149187515 /nfs/dbraw/zinc/18/75/15/1149187515.db2.gz QTIYQZKAYAQMOH-STQMWFEESA-N 1 1 305.378 2.020 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2CC2CC2)cc1 ZINC000933209109 624118901 /nfs/dbraw/zinc/11/89/01/624118901.db2.gz BHSWZGXQFYOCKS-HOTGVXAUSA-N 1 1 306.362 2.129 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOC[C@@H]2CC2CC2)cc1 ZINC000933209109 624118902 /nfs/dbraw/zinc/11/89/02/624118902.db2.gz BHSWZGXQFYOCKS-HOTGVXAUSA-N 1 1 306.362 2.129 20 5 DEBDMO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000933283524 624137414 /nfs/dbraw/zinc/13/74/14/624137414.db2.gz JPMMNNBVROUIKD-ZDUSSCGKSA-N 1 1 309.341 2.128 20 5 DEBDMO CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000933485764 624472084 /nfs/dbraw/zinc/47/20/84/624472084.db2.gz FYKNFRLZSQTLLN-AWEZNQCLSA-N 1 1 323.368 2.219 20 5 DEBDMO O=[N+]([O-])c1c2nonc2ccc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000891781570 624598383 /nfs/dbraw/zinc/59/83/83/624598383.db2.gz JHLLNJIWOPXSIN-SECBINFHSA-N 1 1 303.322 2.027 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1[N+](=O)[O-] ZINC000892216448 624849352 /nfs/dbraw/zinc/84/93/52/624849352.db2.gz SJBUUWNUASLGAW-OLZOCXBDSA-N 1 1 322.361 2.310 20 5 DEBDMO C[N@@H+]1CCCC[C@H]1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000745081880 625050621 /nfs/dbraw/zinc/05/06/21/625050621.db2.gz LCBRGZOHWDQWHE-ZDUSSCGKSA-N 1 1 308.334 2.001 20 5 DEBDMO C[N@H+]1CCCC[C@H]1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000745081880 625050626 /nfs/dbraw/zinc/05/06/26/625050626.db2.gz LCBRGZOHWDQWHE-ZDUSSCGKSA-N 1 1 308.334 2.001 20 5 DEBDMO C[C@H](Nc1c([N+](=O)[O-])cnn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893119407 625125047 /nfs/dbraw/zinc/12/50/47/625125047.db2.gz QVBDFUHRFZHNLH-RYUDHWBXSA-N 1 1 307.398 2.393 20 5 DEBDMO CCC[N@H+]1CC[C@H](CNCc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892668163 625254986 /nfs/dbraw/zinc/25/49/86/625254986.db2.gz IRVNYJGOWHRDPT-GFCCVEGCSA-N 1 1 323.393 2.131 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000836698598 650122214 /nfs/dbraw/zinc/12/22/14/650122214.db2.gz PLRUOLMJYVOVSS-JTQLQIEISA-N 1 1 311.769 2.381 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000836718004 650124015 /nfs/dbraw/zinc/12/40/15/650124015.db2.gz STIZLXSNECXUKR-SNVBAGLBSA-N 1 1 311.769 2.333 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000836718004 650124016 /nfs/dbraw/zinc/12/40/16/650124016.db2.gz STIZLXSNECXUKR-SNVBAGLBSA-N 1 1 311.769 2.333 20 5 DEBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000837398001 650194509 /nfs/dbraw/zinc/19/45/09/650194509.db2.gz DVCFOTHOTURCIP-LBPRGKRZSA-N 1 1 309.366 2.353 20 5 DEBDMO COc1c(O)ccc(C[NH+]2CC(C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000894257594 636583931 /nfs/dbraw/zinc/58/39/31/636583931.db2.gz VHOQPPRVPPVSLB-UHFFFAOYSA-N 1 1 322.361 2.167 20 5 DEBDMO Cc1nn(CN2CCC[N@H+](C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000748083771 636846762 /nfs/dbraw/zinc/84/67/62/636846762.db2.gz VOWPDTMDMNEPSK-UHFFFAOYSA-N 1 1 309.414 2.172 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894717925 637177525 /nfs/dbraw/zinc/17/75/25/637177525.db2.gz GCAUXONPULIGLG-GWCFXTLKSA-N 1 1 310.350 2.166 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](CCCCCO)CC1 ZINC000894964265 637346821 /nfs/dbraw/zinc/34/68/21/637346821.db2.gz NHZDQKGDNRQGCH-UHFFFAOYSA-N 1 1 311.357 2.019 20 5 DEBDMO COc1cc(N[C@@H]2Cc3c[nH+]cn3C2)c(Cl)cc1[N+](=O)[O-] ZINC000894995304 637368375 /nfs/dbraw/zinc/36/83/75/637368375.db2.gz AVZJVFQGLOKUAE-MRVPVSSYSA-N 1 1 308.725 2.490 20 5 DEBDMO C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895245947 637846367 /nfs/dbraw/zinc/84/63/67/637846367.db2.gz KDVFHNJYWREKHV-QMTHXVAHSA-N 1 1 312.801 2.294 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H](C4OCCO4)C3)c2c1 ZINC000895518154 638066028 /nfs/dbraw/zinc/06/60/28/638066028.db2.gz OPIWOEQCUCGXEC-LLVKDONJSA-N 1 1 315.329 2.342 20 5 DEBDMO Cc1[nH+]ccn1CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000727645975 638169415 /nfs/dbraw/zinc/16/94/15/638169415.db2.gz GCZJMGRRZCVIQL-UHFFFAOYSA-N 1 1 314.345 2.469 20 5 DEBDMO COC(=O)c1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000895739916 638171568 /nfs/dbraw/zinc/17/15/68/638171568.db2.gz JVUZMTSKBKWONZ-MFKMUULPSA-N 1 1 307.350 2.194 20 5 DEBDMO CC[C@@]1(O)CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000895758724 638184795 /nfs/dbraw/zinc/18/47/95/638184795.db2.gz MJGSQNFPLUXVIH-OAHLLOKOSA-N 1 1 310.350 2.046 20 5 DEBDMO CC(C)c1[nH+]ccn1CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000895987544 638299012 /nfs/dbraw/zinc/29/90/12/638299012.db2.gz IRXSHGNJTGVWPC-UHFFFAOYSA-N 1 1 309.757 2.497 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C3OCCO3)C2)cc1Cl ZINC000896388087 638497276 /nfs/dbraw/zinc/49/72/76/638497276.db2.gz XVCXMQZWYGURCW-LLVKDONJSA-N 1 1 312.753 2.443 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000896650095 638623989 /nfs/dbraw/zinc/62/39/89/638623989.db2.gz CLQWZECUBFMXTN-ZDUSSCGKSA-N 1 1 309.414 2.286 20 5 DEBDMO C[C@@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000749670164 638669494 /nfs/dbraw/zinc/66/94/94/638669494.db2.gz JKEMQPPZPPMLNX-JKIFEVAISA-N 1 1 321.421 2.481 20 5 DEBDMO C[C@@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000749670164 638669497 /nfs/dbraw/zinc/66/94/97/638669497.db2.gz JKEMQPPZPPMLNX-JKIFEVAISA-N 1 1 321.421 2.481 20 5 DEBDMO C[C@@H]1C[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000754025069 639374384 /nfs/dbraw/zinc/37/43/84/639374384.db2.gz OVURFUPCXFKXND-MNOVXSKESA-N 1 1 301.350 2.280 20 5 DEBDMO Cc1ccccc1[C@@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754217563 639402891 /nfs/dbraw/zinc/40/28/91/639402891.db2.gz XJVDQJHKDHJIMV-KRWDZBQOSA-N 1 1 313.357 2.390 20 5 DEBDMO Cc1ccccc1[C@@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754217563 639402896 /nfs/dbraw/zinc/40/28/96/639402896.db2.gz XJVDQJHKDHJIMV-KRWDZBQOSA-N 1 1 313.357 2.390 20 5 DEBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000754226518 639404485 /nfs/dbraw/zinc/40/44/85/639404485.db2.gz OYSTZMLVQORLIU-BZUAXINKSA-N 1 1 322.405 2.357 20 5 DEBDMO COCC[N@@H+]1CC[C@@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872035881 639889321 /nfs/dbraw/zinc/88/93/21/639889321.db2.gz OIHORCUQCGGJOD-NWDGAFQWSA-N 1 1 311.357 2.105 20 5 DEBDMO COCC[N@H+]1CC[C@@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872035881 639889328 /nfs/dbraw/zinc/88/93/28/639889328.db2.gz OIHORCUQCGGJOD-NWDGAFQWSA-N 1 1 311.357 2.105 20 5 DEBDMO O=C1O[C@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC12CC2 ZINC000763731854 640566804 /nfs/dbraw/zinc/56/68/04/640566804.db2.gz ALTLPUSCEQVFTJ-LBPRGKRZSA-N 1 1 302.330 2.049 20 5 DEBDMO O=C1O[C@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC12CC2 ZINC000763731854 640566806 /nfs/dbraw/zinc/56/68/06/640566806.db2.gz ALTLPUSCEQVFTJ-LBPRGKRZSA-N 1 1 302.330 2.049 20 5 DEBDMO Cc1ccc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000929118807 640770818 /nfs/dbraw/zinc/77/08/18/640770818.db2.gz SKADROZYPRNQMT-RISCZKNCSA-N 1 1 304.350 2.071 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000766249957 640863080 /nfs/dbraw/zinc/86/30/80/640863080.db2.gz LFHHUXDTJCSOQN-DVOMOZLQSA-N 1 1 307.394 2.043 20 5 DEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000766557435 640894167 /nfs/dbraw/zinc/89/41/67/640894167.db2.gz VLXYWCCQBYSPDS-QWRGUYRKSA-N 1 1 309.341 2.289 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000766557435 640894171 /nfs/dbraw/zinc/89/41/71/640894171.db2.gz VLXYWCCQBYSPDS-QWRGUYRKSA-N 1 1 309.341 2.289 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000898036615 641007799 /nfs/dbraw/zinc/00/77/99/641007799.db2.gz GWLJTRPZZVMCAV-DAXOMENPSA-N 1 1 317.389 2.299 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000898036617 641008145 /nfs/dbraw/zinc/00/81/45/641008145.db2.gz GWLJTRPZZVMCAV-KCXAZCMYSA-N 1 1 317.389 2.299 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000771995571 641583115 /nfs/dbraw/zinc/58/31/15/641583115.db2.gz RVIJJHPCSOZTCW-UHFFFAOYSA-N 1 1 303.318 2.276 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)c1[N+](=O)[O-] ZINC000898419503 641654234 /nfs/dbraw/zinc/65/42/34/641654234.db2.gz CYZWKWFKUVOPST-ABAIWWIYSA-N 1 1 324.402 2.494 20 5 DEBDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000774535253 641916655 /nfs/dbraw/zinc/91/66/55/641916655.db2.gz FUYSNDNDUFXFAY-UHFFFAOYSA-N 1 1 310.317 2.491 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000776589120 642189675 /nfs/dbraw/zinc/18/96/75/642189675.db2.gz PLNSPOCTBPOSHK-OAHLLOKOSA-N 1 1 306.362 2.131 20 5 DEBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000902636880 643093645 /nfs/dbraw/zinc/09/36/45/643093645.db2.gz GUUFUDQWNFALBJ-ZFWWWQNUSA-N 1 1 304.350 2.320 20 5 DEBDMO CC(C)c1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000784420809 643138125 /nfs/dbraw/zinc/13/81/25/643138125.db2.gz FWSMONYSWZRFRR-LBPRGKRZSA-N 1 1 305.378 2.494 20 5 DEBDMO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000784420809 643138130 /nfs/dbraw/zinc/13/81/30/643138130.db2.gz FWSMONYSWZRFRR-LBPRGKRZSA-N 1 1 305.378 2.494 20 5 DEBDMO O=[N+]([O-])CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000905207806 643831280 /nfs/dbraw/zinc/83/12/80/643831280.db2.gz IUQCTCJNUVJLME-IXDOHACOSA-N 1 1 303.406 2.153 20 5 DEBDMO C[NH+](C)[C@@H](CNCC[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000905214025 643833604 /nfs/dbraw/zinc/83/36/04/643833604.db2.gz GLMZMIHCXOWFAE-LBPRGKRZSA-N 1 1 305.300 2.174 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CCn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000906507368 644265685 /nfs/dbraw/zinc/26/56/85/644265685.db2.gz MXRQQFJZQAJIRL-SNVBAGLBSA-N 1 1 322.390 2.241 20 5 DEBDMO C[C@@H]([NH2+]C1CC1)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843184639 650920028 /nfs/dbraw/zinc/92/00/28/650920028.db2.gz GNWPXSGCPMTUGS-SNVBAGLBSA-N 1 1 317.349 2.445 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000794587304 644440162 /nfs/dbraw/zinc/44/01/62/644440162.db2.gz XRJXLSYMALTUTQ-LSDHHAIUSA-N 1 1 302.334 2.188 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000794587304 644440166 /nfs/dbraw/zinc/44/01/66/644440166.db2.gz XRJXLSYMALTUTQ-LSDHHAIUSA-N 1 1 302.334 2.188 20 5 DEBDMO C[C@@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@@H]1C ZINC000794639316 644450472 /nfs/dbraw/zinc/45/04/72/644450472.db2.gz LZQXQCCSEGPGKP-MNOVXSKESA-N 1 1 305.334 2.438 20 5 DEBDMO C[C@@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@@H]1C ZINC000794639316 644450475 /nfs/dbraw/zinc/45/04/75/644450475.db2.gz LZQXQCCSEGPGKP-MNOVXSKESA-N 1 1 305.334 2.438 20 5 DEBDMO C[C@@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000794639315 644450738 /nfs/dbraw/zinc/45/07/38/644450738.db2.gz LZQXQCCSEGPGKP-GHMZBOCLSA-N 1 1 305.334 2.438 20 5 DEBDMO C[C@@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000794639315 644450742 /nfs/dbraw/zinc/45/07/42/644450742.db2.gz LZQXQCCSEGPGKP-GHMZBOCLSA-N 1 1 305.334 2.438 20 5 DEBDMO Cc1cc(-c2noc(C[NH2+]C[C@@H]3CCCO3)n2)cc([N+](=O)[O-])c1 ZINC000843239743 650937252 /nfs/dbraw/zinc/93/72/52/650937252.db2.gz PKFNPTFDXSAIDC-ZDUSSCGKSA-N 1 1 318.333 2.222 20 5 DEBDMO Cc1nn(CN(C)CCC[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000795750994 644630003 /nfs/dbraw/zinc/63/00/03/644630003.db2.gz HCBRZYNXPIVVKM-UHFFFAOYSA-N 1 1 321.381 2.104 20 5 DEBDMO CO[C@H](C)C[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000795747371 644630045 /nfs/dbraw/zinc/63/00/45/644630045.db2.gz KGGAFVWCZFPJFU-GFCCVEGCSA-N 1 1 304.350 2.383 20 5 DEBDMO CO[C@H](C)C[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000795747371 644630047 /nfs/dbraw/zinc/63/00/47/644630047.db2.gz KGGAFVWCZFPJFU-GFCCVEGCSA-N 1 1 304.350 2.383 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000910286601 645389176 /nfs/dbraw/zinc/38/91/76/645389176.db2.gz HGVXICFZDVQMGI-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO C[C@@H]1CN(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C(=O)[C@H]1C ZINC000840065352 645853091 /nfs/dbraw/zinc/85/30/91/645853091.db2.gz OZXYKMPYYZSTCT-OLZOCXBDSA-N 1 1 305.378 2.141 20 5 DEBDMO C[C@@H]1CN(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C(=O)[C@H]1C ZINC000840065352 645853098 /nfs/dbraw/zinc/85/30/98/645853098.db2.gz OZXYKMPYYZSTCT-OLZOCXBDSA-N 1 1 305.378 2.141 20 5 DEBDMO Cc1nn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(C)c1[N+](=O)[O-] ZINC000840116642 645989515 /nfs/dbraw/zinc/98/95/15/645989515.db2.gz PXMNWZZVZAICFV-RRFJBIMHSA-N 1 1 322.409 2.381 20 5 DEBDMO Cc1sc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000913289561 646317833 /nfs/dbraw/zinc/31/78/33/646317833.db2.gz GGUJEAMOVJSWPJ-GASCZTMLSA-N 1 1 323.418 2.379 20 5 DEBDMO CSCCC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172488 646742991 /nfs/dbraw/zinc/74/29/91/646742991.db2.gz MWIBJXUOBGQFCR-AWEZNQCLSA-N 1 1 324.402 2.465 20 5 DEBDMO CSCCC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172488 646742997 /nfs/dbraw/zinc/74/29/97/646742997.db2.gz MWIBJXUOBGQFCR-AWEZNQCLSA-N 1 1 324.402 2.465 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOCC3CC3)CC2)cc1 ZINC000172730258 646748264 /nfs/dbraw/zinc/74/82/64/646748264.db2.gz LSDQDBOBFSZQBU-UHFFFAOYSA-N 1 1 305.378 2.143 20 5 DEBDMO C[C@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000818980395 647556607 /nfs/dbraw/zinc/55/66/07/647556607.db2.gz JQFMSMSZDSQHKF-RHSMWYFYSA-N 1 1 321.421 2.338 20 5 DEBDMO CC[C@H]1CCCC[N@@H+]1CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819065630 647576971 /nfs/dbraw/zinc/57/69/71/647576971.db2.gz LKRINFWWQGLTKO-DOTOQJQBSA-N 1 1 321.421 2.482 20 5 DEBDMO CC[C@H]1CCCC[N@H+]1CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819065630 647576975 /nfs/dbraw/zinc/57/69/75/647576975.db2.gz LKRINFWWQGLTKO-DOTOQJQBSA-N 1 1 321.421 2.482 20 5 DEBDMO CC(C)Cn1ccnc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819100798 647582734 /nfs/dbraw/zinc/58/27/34/647582734.db2.gz IHXQMTSKXYTBFX-OAHLLOKOSA-N 1 1 318.377 2.271 20 5 DEBDMO C[N@H+]1CC[C@@H](CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000820770376 647912911 /nfs/dbraw/zinc/91/29/11/647912911.db2.gz RNUOTMIEFRVXFY-JTQLQIEISA-N 1 1 311.769 2.206 20 5 DEBDMO C[C@@H](NC(=O)NCC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000918179091 648062366 /nfs/dbraw/zinc/06/23/66/648062366.db2.gz FTFDNHLQGYDGBY-LLVKDONJSA-N 1 1 306.366 2.049 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000821526326 648077136 /nfs/dbraw/zinc/07/71/36/648077136.db2.gz AYSYWVXNZZYCBC-OLZOCXBDSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000821526326 648077141 /nfs/dbraw/zinc/07/71/41/648077141.db2.gz AYSYWVXNZZYCBC-OLZOCXBDSA-N 1 1 305.378 2.376 20 5 DEBDMO C[N@@H+](CC[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000930075188 648148457 /nfs/dbraw/zinc/14/84/57/648148457.db2.gz QYZWHPWAFFMKLY-FUNVUKJBSA-N 1 1 313.398 2.125 20 5 DEBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822590845 648238895 /nfs/dbraw/zinc/23/88/95/648238895.db2.gz JUSRHDCCTBNINO-UHFFFAOYSA-N 1 1 317.349 2.350 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000823117136 648355615 /nfs/dbraw/zinc/35/56/15/648355615.db2.gz LESFNSBPLQQDJF-KRWDZBQOSA-N 1 1 317.389 2.379 20 5 DEBDMO Cc1ccccc1[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]1 ZINC000825198987 648723903 /nfs/dbraw/zinc/72/39/03/648723903.db2.gz NUDHAFIRDFRHQC-CYBMUJFWSA-N 1 1 315.329 2.283 20 5 DEBDMO Cc1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000825633813 648791386 /nfs/dbraw/zinc/79/13/86/648791386.db2.gz JELCZTIBSCBWDH-UHFFFAOYSA-N 1 1 307.394 2.497 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827232989 648997839 /nfs/dbraw/zinc/99/78/39/648997839.db2.gz NTRLGAKUWLVWLU-WCQYABFASA-N 1 1 321.352 2.209 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827355743 649021500 /nfs/dbraw/zinc/02/15/00/649021500.db2.gz LHJBMTUEUKFHEJ-GWCFXTLKSA-N 1 1 323.780 2.414 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000827373338 649025031 /nfs/dbraw/zinc/02/50/31/649025031.db2.gz IMQGPJBOXXEBLU-UKRRQHHQSA-N 1 1 303.362 2.069 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC[C@H]21 ZINC000827375020 649026011 /nfs/dbraw/zinc/02/60/11/649026011.db2.gz SCRAFBGZNVMGEZ-QMTHXVAHSA-N 1 1 323.780 2.414 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000827491343 649042302 /nfs/dbraw/zinc/04/23/02/649042302.db2.gz OHIKWPSUUPTSCW-CQSZACIVSA-N 1 1 323.368 2.075 20 5 DEBDMO COC[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000832745800 649740976 /nfs/dbraw/zinc/74/09/76/649740976.db2.gz MHJHFUKHRSRASB-CZUORRHYSA-N 1 1 308.378 2.377 20 5 DEBDMO COc1ccc(C(=O)OC[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000845810972 651284382 /nfs/dbraw/zinc/28/43/82/651284382.db2.gz ONJDLRUBYKNQPE-PWSUYJOCSA-N 1 1 308.334 2.100 20 5 DEBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC000847657790 651408922 /nfs/dbraw/zinc/40/89/22/651408922.db2.gz VIBOIFOGQBCGKP-NSHDSACASA-N 1 1 303.362 2.134 20 5 DEBDMO COc1cncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000850118933 651834038 /nfs/dbraw/zinc/83/40/38/651834038.db2.gz LZUIDKMXZCXHJM-UHFFFAOYSA-N 1 1 303.318 2.297 20 5 DEBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000856283012 651888039 /nfs/dbraw/zinc/88/80/39/651888039.db2.gz KSQGUTGLJJZXBO-UHFFFAOYSA-N 1 1 308.382 2.027 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc(F)n3)C2)nc1 ZINC000851843269 652256480 /nfs/dbraw/zinc/25/64/80/652256480.db2.gz FEDHFZLFDZENTN-GFCCVEGCSA-N 1 1 317.324 2.210 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc(F)n3)C2)nc1 ZINC000851843269 652256481 /nfs/dbraw/zinc/25/64/81/652256481.db2.gz FEDHFZLFDZENTN-GFCCVEGCSA-N 1 1 317.324 2.210 20 5 DEBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000852463281 652404880 /nfs/dbraw/zinc/40/48/80/652404880.db2.gz VDQKWXBIQRTEPH-DAXOMENPSA-N 1 1 308.378 2.111 20 5 DEBDMO C[C@@H](O)C[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853265160 652531282 /nfs/dbraw/zinc/53/12/82/652531282.db2.gz HZSQIPJHIPOVPL-SNVBAGLBSA-N 1 1 315.320 2.035 20 5 DEBDMO C[N@H+](C[C@@H]1CC1(C)C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000853627444 652580727 /nfs/dbraw/zinc/58/07/27/652580727.db2.gz VGGVWIVOVCOZHI-JTQLQIEISA-N 1 1 305.334 2.438 20 5 DEBDMO C[N@@H+](C[C@@H]1CC1(C)C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000853627444 652580729 /nfs/dbraw/zinc/58/07/29/652580729.db2.gz VGGVWIVOVCOZHI-JTQLQIEISA-N 1 1 305.334 2.438 20 5 DEBDMO CC[N@H+]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000853686855 652589843 /nfs/dbraw/zinc/58/98/43/652589843.db2.gz MQHVHOLZYMHRKX-GFCCVEGCSA-N 1 1 303.366 2.163 20 5 DEBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000928560604 693802077 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BKRHIIYXZWQSHH-LBPRGKRZSA-N 1 1 302.334 2.401 20 5 DEBDMO O=[N+]([O-])c1cccc(O[C@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001233578414 802156632 /nfs/dbraw/zinc/15/66/32/802156632.db2.gz RWZXPYWPABOIBR-VIFPVBQESA-N 1 1 304.262 2.093 20 5 DEBDMO CC1(C)C[NH2+]CC[C@@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001218313171 802166558 /nfs/dbraw/zinc/16/65/58/802166558.db2.gz ZUROJJYIEFBZKN-LBPRGKRZSA-N 1 1 318.333 2.011 20 5 DEBDMO CC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001224287237 802855663 /nfs/dbraw/zinc/85/56/63/802855663.db2.gz NJEHGRSXTBQSQR-KCPJHIHWSA-N 1 1 320.393 2.438 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227094454 803200353 /nfs/dbraw/zinc/20/03/53/803200353.db2.gz BOSCBGPONMGWAR-LLVKDONJSA-N 1 1 318.333 2.105 20 5 DEBDMO Cc1ccc(N2CCC(Oc3ncncc3[N+](=O)[O-])CC2)[nH+]c1 ZINC001228655458 803388077 /nfs/dbraw/zinc/38/80/77/803388077.db2.gz SDNYUVVUGYNZAM-UHFFFAOYSA-N 1 1 315.333 2.136 20 5 DEBDMO O=[N+]([O-])CC[NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001335238098 1150388877 /nfs/dbraw/zinc/38/88/77/1150388877.db2.gz PPIGVZLJYCJZFU-HNNXBMFYSA-N 1 1 300.362 2.175 20 5 DEBDMO CC1=C[C@H](C)C[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001603826150 1070114175 /nfs/dbraw/zinc/11/41/75/1070114175.db2.gz GJASEWLPYXDZCM-JTQLQIEISA-N 1 1 314.349 2.173 20 5 DEBDMO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1[N+](=O)[O-] ZINC001604815925 1070505535 /nfs/dbraw/zinc/50/55/35/1070505535.db2.gz QFHASQYFLBVVTM-UHFFFAOYSA-N 1 1 324.344 2.407 20 5 DEBDMO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1[N+](=O)[O-] ZINC001604815925 1070505550 /nfs/dbraw/zinc/50/55/50/1070505550.db2.gz QFHASQYFLBVVTM-UHFFFAOYSA-N 1 1 324.344 2.407 20 5 DEBDMO Cc1c[nH+]cn1CC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001532914755 1071750801 /nfs/dbraw/zinc/75/08/01/1071750801.db2.gz JVZKXLUDXYDFSA-UHFFFAOYSA-N 1 1 311.301 2.287 20 5 DEBDMO Nc1ccc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cc1[N+](=O)[O-] ZINC001468695085 1059836693 /nfs/dbraw/zinc/83/66/93/1059836693.db2.gz SPRSOPOHWOIZFQ-WCQYABFASA-N 1 1 304.350 2.132 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001472029445 1060375801 /nfs/dbraw/zinc/37/58/01/1060375801.db2.gz QPTVDUAGJLHCPB-LBPRGKRZSA-N 1 1 309.341 2.112 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C(C)(C)C1 ZINC001472056881 1060391233 /nfs/dbraw/zinc/39/12/33/1060391233.db2.gz LRMSIGDBCAQKGF-CQSZACIVSA-N 1 1 321.377 2.064 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC001477214039 1061155263 /nfs/dbraw/zinc/15/52/63/1061155263.db2.gz VMKOPODAHDXCMS-GFCCVEGCSA-N 1 1 306.366 2.461 20 5 DEBDMO CC(C)CC[C@H]([NH3+])C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC001575566671 1066354012 /nfs/dbraw/zinc/35/40/12/1066354012.db2.gz ZKNVHKQBVIQKIZ-ZDUSSCGKSA-N 1 1 323.393 2.468 20 5 DEBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c(N)c1[N+](=O)[O-] ZINC001636724135 1078487827 /nfs/dbraw/zinc/48/78/27/1078487827.db2.gz PFJGKFFWGVEFFR-LBPRGKRZSA-N 1 1 304.350 2.051 20 5 DEBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)c(N)c1[N+](=O)[O-] ZINC001636724135 1078487831 /nfs/dbraw/zinc/48/78/31/1078487831.db2.gz PFJGKFFWGVEFFR-LBPRGKRZSA-N 1 1 304.350 2.051 20 5 DEBDMO Cc1csc(NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001579834920 1067434334 /nfs/dbraw/zinc/43/43/34/1067434334.db2.gz LVDWNICDSCTJJN-ZDUSSCGKSA-N 1 1 306.347 2.172 20 5 DEBDMO C[C@@H](Nc1nn(C)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001642555250 1078760069 /nfs/dbraw/zinc/76/00/69/1078760069.db2.gz SDCCSAZLXGBJSX-NEPJUHHUSA-N 1 1 307.398 2.393 20 5 DEBDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1)C(N)=O ZINC001643139547 1078787597 /nfs/dbraw/zinc/78/75/97/1078787597.db2.gz BQNIOTZEVGJFJE-GFCCVEGCSA-N 1 1 320.393 2.103 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3c4c(ccc3[N+](=O)[O-])NCC4)[C@H]2C1 ZINC001516433021 1068925018 /nfs/dbraw/zinc/92/50/18/1068925018.db2.gz WGBRTZRFFZXGGY-VHRBIJSZSA-N 1 1 302.378 2.315 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001557532179 1075067937 /nfs/dbraw/zinc/06/79/37/1075067937.db2.gz HFPFFYRTJCCFAL-LLVKDONJSA-N 1 1 311.769 2.001 20 5 DEBDMO Cc1c(C[N@@H+]2CCC[C@@H](c3cn(C)nn3)C2)cccc1[N+](=O)[O-] ZINC001560218134 1075133604 /nfs/dbraw/zinc/13/36/04/1075133604.db2.gz VGYDYYHBTURFMX-CQSZACIVSA-N 1 1 315.377 2.411 20 5 DEBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590260160 1076603449 /nfs/dbraw/zinc/60/34/49/1076603449.db2.gz CPXNTTKRAKYKDQ-SNVBAGLBSA-N 1 1 302.338 2.007 20 5 DEBDMO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC001609099240 1077761939 /nfs/dbraw/zinc/76/19/39/1077761939.db2.gz QPNVBBOKOLKTJH-UHFFFAOYSA-N 1 1 302.338 2.148 20 5 DEBDMO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C(=O)OC ZINC001655670108 1080012314 /nfs/dbraw/zinc/01/23/14/1080012314.db2.gz QCLRWAMEOKVHMH-UHFFFAOYSA-N 1 1 310.350 2.247 20 5 DEBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C(=O)OC ZINC001655670108 1080012324 /nfs/dbraw/zinc/01/23/24/1080012324.db2.gz QCLRWAMEOKVHMH-UHFFFAOYSA-N 1 1 310.350 2.247 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@H](c3ncccn3)C2)cc1[N+](=O)[O-] ZINC001655712317 1080013293 /nfs/dbraw/zinc/01/32/93/1080013293.db2.gz BXPRPOXEZQTOBV-ZDUSSCGKSA-N 1 1 314.345 2.383 20 5 DEBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001656131903 1080052208 /nfs/dbraw/zinc/05/22/08/1080052208.db2.gz BRNCQTBNTAAWII-QKPAOTATSA-N 1 1 323.437 2.106 20 5 DEBDMO CC(C)CC(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001665249149 1081004678 /nfs/dbraw/zinc/00/46/78/1081004678.db2.gz OLHKKWGGKGOMFF-UHFFFAOYSA-N 1 1 305.378 2.189 20 5 DEBDMO CC(C)CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001482240966 1081363540 /nfs/dbraw/zinc/36/35/40/1081363540.db2.gz DEWHWLXKGNEFBD-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO CC/C(C)=C/C(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001266271301 1081930646 /nfs/dbraw/zinc/93/06/46/1081930646.db2.gz IBLWVKGKKMKAGU-ACCUITESSA-N 1 1 305.378 2.499 20 5 DEBDMO CC/C(C)=C/C(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001266271301 1081930651 /nfs/dbraw/zinc/93/06/51/1081930651.db2.gz IBLWVKGKKMKAGU-ACCUITESSA-N 1 1 305.378 2.499 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001320080205 1140819078 /nfs/dbraw/zinc/81/90/78/1140819078.db2.gz CMGSOFSBTDFFCS-IMJJTQAJSA-N 1 1 306.362 2.129 20 5 DEBDMO N[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246475312 1140915646 /nfs/dbraw/zinc/91/56/46/1140915646.db2.gz DUWYGIBBOPOXTA-SJORKVTESA-N 1 1 318.421 2.423 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001321655558 1141323362 /nfs/dbraw/zinc/32/33/62/1141323362.db2.gz BVKKZQRNIOXZMM-CYBMUJFWSA-N 1 1 315.377 2.491 20 5 DEBDMO CCc1nn(C)c(N2CCC(c3c[nH+]cn3C)CC2)c1[N+](=O)[O-] ZINC001337457880 1142756415 /nfs/dbraw/zinc/75/64/15/1142756415.db2.gz KFZRNYMEOCDZAH-UHFFFAOYSA-N 1 1 318.381 2.008 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001253768471 1142917228 /nfs/dbraw/zinc/91/72/28/1142917228.db2.gz DUNHCNSYHWVBSO-KGLIPLIRSA-N 1 1 305.378 2.269 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001339263995 1143002567 /nfs/dbraw/zinc/00/25/67/1143002567.db2.gz IODDGQQPIKPHTB-CQSZACIVSA-N 1 1 323.368 2.267 20 5 DEBDMO CC[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254476987 1143131924 /nfs/dbraw/zinc/13/19/24/1143131924.db2.gz YSLVYNUKUHFBBE-UHFFFAOYSA-N 1 1 318.421 2.201 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001254560950 1143248715 /nfs/dbraw/zinc/24/87/15/1143248715.db2.gz IMDDXINLLJZKFN-GUYCJALGSA-N 1 1 317.389 2.128 20 5 DEBDMO CC(=O)N1CCC([N@@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254602665 1143277740 /nfs/dbraw/zinc/27/77/40/1143277740.db2.gz HVMLWJYYDMXUQC-QGZVFWFLSA-N 1 1 317.389 2.005 20 5 DEBDMO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]1C ZINC001254604307 1143277947 /nfs/dbraw/zinc/27/79/47/1143277947.db2.gz VACDEHPZLQUZAO-HFBAOOFYSA-N 1 1 318.373 2.336 20 5 DEBDMO Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc(C)[nH+]1 ZINC001256471425 1143850409 /nfs/dbraw/zinc/85/04/09/1143850409.db2.gz VXRNAAVOLPTYLO-UHFFFAOYSA-N 1 1 315.329 2.354 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC001261647925 1144262096 /nfs/dbraw/zinc/26/20/96/1144262096.db2.gz MJRUMVVQXIEWQJ-LBPRGKRZSA-N 1 1 320.393 2.098 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)C1 ZINC001262365614 1144309608 /nfs/dbraw/zinc/30/96/08/1144309608.db2.gz HELWEHXNDCTCKH-OAHLLOKOSA-N 1 1 320.349 2.425 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001307905067 1147440302 /nfs/dbraw/zinc/44/03/02/1147440302.db2.gz LGCVKBSXFYBCOH-TYNCELHUSA-N 1 1 319.361 2.395 20 5 DEBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326000939 1148029835 /nfs/dbraw/zinc/02/98/35/1148029835.db2.gz YJQWDZVVLZKBLP-GFCCVEGCSA-N 1 1 320.393 2.349 20 5 DEBDMO CNC(=O)C1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000297323859 529843978 /nfs/dbraw/zinc/84/39/78/529843978.db2.gz DGKHRDQZGDPWPG-UHFFFAOYSA-N 1 1 315.329 2.033 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293045218 530059438 /nfs/dbraw/zinc/05/94/38/530059438.db2.gz STBZFHZIWKLQGI-QGZVFWFLSA-N 1 1 319.405 2.391 20 5 DEBDMO Cc1cc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000272659047 210062168 /nfs/dbraw/zinc/06/21/68/210062168.db2.gz GKZJWSWSARUGBG-LBPRGKRZSA-N 1 1 303.362 2.283 20 5 DEBDMO Cc1c(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000272632375 210035076 /nfs/dbraw/zinc/03/50/76/210035076.db2.gz BORCSYALANBPSM-GFCCVEGCSA-N 1 1 303.362 2.283 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000272609615 210010162 /nfs/dbraw/zinc/01/01/62/210010162.db2.gz ZQKHPFYDXHXXHF-IUODEOHRSA-N 1 1 303.362 2.069 20 5 DEBDMO C[C@@H]1[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOC1(C)C ZINC000331348047 233137085 /nfs/dbraw/zinc/13/70/85/233137085.db2.gz MSBRXSDPLCVZIR-LBPRGKRZSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H]1[C@H](C)OCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331354954 233155826 /nfs/dbraw/zinc/15/58/26/233155826.db2.gz PZVQHTVXTJABHD-NEPJUHHUSA-N 1 1 307.350 2.033 20 5 DEBDMO Cc1cccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000164273513 186154691 /nfs/dbraw/zinc/15/46/91/186154691.db2.gz HOXWYGKXKKKKQA-HIFRSBDPSA-N 1 1 317.389 2.460 20 5 DEBDMO CCOC[C@@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000269579177 186390541 /nfs/dbraw/zinc/39/05/41/186390541.db2.gz DYGSWUXGZCHLFA-LBPRGKRZSA-N 1 1 302.758 2.077 20 5 DEBDMO CCOC[C@@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000269579177 186390542 /nfs/dbraw/zinc/39/05/42/186390542.db2.gz DYGSWUXGZCHLFA-LBPRGKRZSA-N 1 1 302.758 2.077 20 5 DEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000072874084 191245223 /nfs/dbraw/zinc/24/52/23/191245223.db2.gz ASTNGDXQKKAJCJ-MNOVXSKESA-N 1 1 307.350 2.415 20 5 DEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000072874084 191245225 /nfs/dbraw/zinc/24/52/25/191245225.db2.gz ASTNGDXQKKAJCJ-MNOVXSKESA-N 1 1 307.350 2.415 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000173660147 198237414 /nfs/dbraw/zinc/23/74/14/198237414.db2.gz WEPQKZOECDAEET-CYBMUJFWSA-N 1 1 324.377 2.219 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000046381274 354281324 /nfs/dbraw/zinc/28/13/24/354281324.db2.gz JPDIBFXDYKBDAL-GFCCVEGCSA-N 1 1 306.366 2.448 20 5 DEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000050995324 354377751 /nfs/dbraw/zinc/37/77/51/354377751.db2.gz KLJASMVOXNLSLA-CQSZACIVSA-N 1 1 305.378 2.333 20 5 DEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000053392396 354433273 /nfs/dbraw/zinc/43/32/73/354433273.db2.gz ABAFYQVRFCVYSF-LLVKDONJSA-N 1 1 308.382 2.163 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000052231438 354398688 /nfs/dbraw/zinc/39/86/88/354398688.db2.gz XKNDDVKSUGOBCR-UHFFFAOYSA-N 1 1 303.322 2.230 20 5 DEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000057004113 354552785 /nfs/dbraw/zinc/55/27/85/354552785.db2.gz QAACWAKWCKEHRB-LSDHHAIUSA-N 1 1 318.377 2.021 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000063852100 354658911 /nfs/dbraw/zinc/65/89/11/354658911.db2.gz MJNGXGFLJCWZKB-CYBMUJFWSA-N 1 1 305.378 2.365 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000069137768 354850946 /nfs/dbraw/zinc/85/09/46/354850946.db2.gz NEEFZTFZRNTJAK-HBWSCVEGSA-N 1 1 317.389 2.456 20 5 DEBDMO CCN1CC[NH+](CCCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000075469745 355088710 /nfs/dbraw/zinc/08/87/10/355088710.db2.gz ABUKNVWCJLIJDF-UHFFFAOYSA-N 1 1 310.373 2.173 20 5 DEBDMO C[C@H](O)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000089927920 355547377 /nfs/dbraw/zinc/54/73/77/355547377.db2.gz QXOTXWRLHOBQML-QWRGUYRKSA-N 1 1 305.334 2.329 20 5 DEBDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000089927920 355547378 /nfs/dbraw/zinc/54/73/78/355547378.db2.gz QXOTXWRLHOBQML-QWRGUYRKSA-N 1 1 305.334 2.329 20 5 DEBDMO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000090884355 355568793 /nfs/dbraw/zinc/56/87/93/355568793.db2.gz IZQDHXLMMINPIQ-SMDDNHRTSA-N 1 1 304.350 2.021 20 5 DEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000579667249 357009969 /nfs/dbraw/zinc/00/99/69/357009969.db2.gz JMOJGPCOGIEOFQ-UHFFFAOYSA-N 1 1 311.357 2.281 20 5 DEBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000579667249 357009973 /nfs/dbraw/zinc/00/99/73/357009973.db2.gz JMOJGPCOGIEOFQ-UHFFFAOYSA-N 1 1 311.357 2.281 20 5 DEBDMO CC(C)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000276880424 213152406 /nfs/dbraw/zinc/15/24/06/213152406.db2.gz PAXFOQKHESPZBO-UHFFFAOYSA-N 1 1 321.377 2.152 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000588823587 357427446 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CC[C@@H]1C[N@@H+](C)CCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597606148 358961597 /nfs/dbraw/zinc/96/15/97/358961597.db2.gz VFFWEXADBWVSTF-CQSZACIVSA-N 1 1 323.368 2.219 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000598676466 359287308 /nfs/dbraw/zinc/28/73/08/359287308.db2.gz IJZHQMSBGKIPEC-DGCLKSJQSA-N 1 1 324.377 2.062 20 5 DEBDMO C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598646325 359273929 /nfs/dbraw/zinc/27/39/29/359273929.db2.gz RLHKOMLEYYOKDG-KBPBESRZSA-N 1 1 308.378 2.314 20 5 DEBDMO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1CO ZINC000598649516 359275781 /nfs/dbraw/zinc/27/57/81/359275781.db2.gz KAIAAHACKXQEDP-WDEREUQCSA-N 1 1 305.334 2.186 20 5 DEBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1CO ZINC000598649516 359275783 /nfs/dbraw/zinc/27/57/83/359275783.db2.gz KAIAAHACKXQEDP-WDEREUQCSA-N 1 1 305.334 2.186 20 5 DEBDMO CCC(O)(CC)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000599674022 359566208 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CC1(C)CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](CO)O1 ZINC000601175202 359953292 /nfs/dbraw/zinc/95/32/92/359953292.db2.gz NEMHPFATMLRJIU-GFCCVEGCSA-N 1 1 317.345 2.119 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000602590928 360447011 /nfs/dbraw/zinc/44/70/11/360447011.db2.gz LKNIMXLOMDJHON-FZMZJTMJSA-N 1 1 316.361 2.262 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CC([C@H]4CCOC4)C3)nc2c1 ZINC000602646551 360475078 /nfs/dbraw/zinc/47/50/78/360475078.db2.gz BMZVAQRUNUHILF-JTQLQIEISA-N 1 1 303.318 2.204 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000602797833 360560528 /nfs/dbraw/zinc/56/05/28/360560528.db2.gz MEZLYBKFBIWYRD-HUUCEWRRSA-N 1 1 322.409 2.238 20 5 DEBDMO COC(=O)C[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000604473339 360908709 /nfs/dbraw/zinc/90/87/09/360908709.db2.gz UOBOYKHYZOBREG-AWEZNQCLSA-N 1 1 322.361 2.391 20 5 DEBDMO CCNC(=O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000608835546 361271184 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CC[N@H+]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000611087864 361523911 /nfs/dbraw/zinc/52/39/11/361523911.db2.gz OQUIJTLBGSJWJP-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+](CCCCO)C1CC1)OCCO2 ZINC000611271587 361569136 /nfs/dbraw/zinc/56/91/36/361569136.db2.gz GDDYHOBGQWLJIC-UHFFFAOYSA-N 1 1 322.361 2.103 20 5 DEBDMO CO[C@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611943579 361709499 /nfs/dbraw/zinc/70/94/99/361709499.db2.gz OUNSVOHOFUSLEQ-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO CO[C@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611943579 361709502 /nfs/dbraw/zinc/70/95/02/361709502.db2.gz OUNSVOHOFUSLEQ-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO CO[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000281581696 216398827 /nfs/dbraw/zinc/39/88/27/216398827.db2.gz DGLQRDMDVYXDQU-DOMZBBRYSA-N 1 1 321.377 2.057 20 5 DEBDMO CO[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000281581696 216398830 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323.418 2.209 20 5 DEBDMO COC[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093337715 193234547 /nfs/dbraw/zinc/23/45/47/193234547.db2.gz NKGOLBQFTWVFRI-LBPRGKRZSA-N 1 1 324.377 2.470 20 5 DEBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264629857 204040131 /nfs/dbraw/zinc/04/01/31/204040131.db2.gz LNLWFOPADYFHRS-SNVBAGLBSA-N 1 1 323.780 2.462 20 5 DEBDMO Cc1cc(C(=O)N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000264963571 204308452 /nfs/dbraw/zinc/30/84/52/204308452.db2.gz MSKCECGIVMOLLL-UHFFFAOYSA-N 1 1 303.362 2.214 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000268011591 206394681 /nfs/dbraw/zinc/39/46/81/206394681.db2.gz UVZOVMPQVLFKLM-NEPJUHHUSA-N 1 1 303.362 2.258 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458235482 248220622 /nfs/dbraw/zinc/22/06/22/248220622.db2.gz YDDYMKKBUSKPGT-CYBMUJFWSA-N 1 1 305.378 2.365 20 5 DEBDMO O=[N+]([O-])c1cccc(OCCSCC[NH+]2CCOCC2)c1 ZINC000159989530 291661344 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ZINC000265871025 402958200 /nfs/dbraw/zinc/95/82/00/402958200.db2.gz MIFILPLEHQKMKH-UHFFFAOYSA-N 1 1 309.366 2.280 20 5 DEBDMO Cc1c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000272370904 402928913 /nfs/dbraw/zinc/92/89/13/402928913.db2.gz AQMUIWNWEALEED-SWLSCSKDSA-N 1 1 303.362 2.069 20 5 DEBDMO COCC[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000273072641 402968376 /nfs/dbraw/zinc/96/83/76/402968376.db2.gz JRMLMOOKBUUOQG-GFCCVEGCSA-N 1 1 313.785 2.059 20 5 DEBDMO COCC[N@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000273072641 402968381 /nfs/dbraw/zinc/96/83/81/402968381.db2.gz JRMLMOOKBUUOQG-GFCCVEGCSA-N 1 1 313.785 2.059 20 5 DEBDMO Cc1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000266804850 402992772 /nfs/dbraw/zinc/99/27/72/402992772.db2.gz DFHQKDNFUXOMFW-BETUJISGSA-N 1 1 308.382 2.209 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000266915417 402999743 /nfs/dbraw/zinc/99/97/43/402999743.db2.gz FVUQBNBJFRLJBW-CYBMUJFWSA-N 1 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1 305.334 2.471 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000269870039 403172127 /nfs/dbraw/zinc/17/21/27/403172127.db2.gz YIGSTNCDTMMWMK-OLZOCXBDSA-N 1 1 321.377 2.077 20 5 DEBDMO CSc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000330626086 403292196 /nfs/dbraw/zinc/29/21/96/403292196.db2.gz IMNOEVXCZWJPCO-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000330626086 403292199 /nfs/dbraw/zinc/29/21/99/403292199.db2.gz IMNOEVXCZWJPCO-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO CC[C@@H](CO)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000342647787 403295847 /nfs/dbraw/zinc/29/58/47/403295847.db2.gz UVOOCSMXRAQKMF-HNNXBMFYSA-N 1 1 318.377 2.064 20 5 DEBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000284286876 403260409 /nfs/dbraw/zinc/26/04/09/403260409.db2.gz YJONOQXWCBHNEH-VIFPVBQESA-N 1 1 305.294 2.087 20 5 DEBDMO C[C@H]1[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000342834931 403366697 /nfs/dbraw/zinc/36/66/97/403366697.db2.gz LYSSWQABAGXUIL-WCBMZHEXSA-N 1 1 307.379 2.494 20 5 DEBDMO COc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331054364 403317289 /nfs/dbraw/zinc/31/72/89/403317289.db2.gz JWUNORYTPGPVDD-WCQYABFASA-N 1 1 321.377 2.016 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292199997 403319758 /nfs/dbraw/zinc/31/97/58/403319758.db2.gz SCSOOJNXYIBMHC-RDJZCZTQSA-N 1 1 320.389 2.377 20 5 DEBDMO CC(=O)N[C@H](C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000331151287 403340242 /nfs/dbraw/zinc/34/02/42/403340242.db2.gz XGOLXYWARHOQPO-LLVKDONJSA-N 1 1 323.368 2.471 20 5 DEBDMO Cc1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000298472168 403390512 /nfs/dbraw/zinc/39/05/12/403390512.db2.gz BPUATGGIPSDQAF-HIFRSBDPSA-N 1 1 303.362 2.260 20 5 DEBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000298491365 403395925 /nfs/dbraw/zinc/39/59/25/403395925.db2.gz CRBGDDBVOXJSOK-QWHCGFSZSA-N 1 1 305.378 2.445 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC[C@@H]3CCCCO3)C2)nc1 ZINC000331497177 403400071 /nfs/dbraw/zinc/40/00/71/403400071.db2.gz BDKHTTYHUMAQIR-HIFRSBDPSA-N 1 1 320.393 2.435 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000332233400 403523922 /nfs/dbraw/zinc/52/39/22/403523922.db2.gz MWZTZHXHSFERPQ-RYUDHWBXSA-N 1 1 317.393 2.386 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000332244252 403527734 /nfs/dbraw/zinc/52/77/34/403527734.db2.gz QBECFANFSFZZRJ-GHMZBOCLSA-N 1 1 316.361 2.241 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000332244252 403527737 /nfs/dbraw/zinc/52/77/37/403527737.db2.gz QBECFANFSFZZRJ-GHMZBOCLSA-N 1 1 316.361 2.241 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000343448906 403595547 /nfs/dbraw/zinc/59/55/47/403595547.db2.gz CVTJOQDGHXMENF-CMPLNLGQSA-N 1 1 307.350 2.276 20 5 DEBDMO Cc1cc(NC(=O)N2CC[N@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000340378077 403596713 /nfs/dbraw/zinc/59/67/13/403596713.db2.gz WMCKBIQZADOVSS-GFCCVEGCSA-N 1 1 306.366 2.461 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000345982550 403558334 /nfs/dbraw/zinc/55/83/34/403558334.db2.gz MMBDCYHGZULWEU-NWDGAFQWSA-N 1 1 305.378 2.458 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293971307 403613482 /nfs/dbraw/zinc/61/34/82/403613482.db2.gz MDAQHWXWNUHROU-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293971307 403613488 /nfs/dbraw/zinc/61/34/88/403613488.db2.gz MDAQHWXWNUHROU-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO Cc1ccnc(NC[C@@H](CC(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000301292471 403611410 /nfs/dbraw/zinc/61/14/10/403611410.db2.gz NZZMLIJFGQCENQ-CQSZACIVSA-N 1 1 322.409 2.457 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000347340640 403671649 /nfs/dbraw/zinc/67/16/49/403671649.db2.gz PDXCMNWSYSJRBN-QXSWTLKVSA-N 1 1 320.389 2.471 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000295119753 403765329 /nfs/dbraw/zinc/76/53/29/403765329.db2.gz MYEGYQFUAVGRHU-ZDUSSCGKSA-N 1 1 307.350 2.176 20 5 DEBDMO Cc1ccc(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000295119753 403765335 /nfs/dbraw/zinc/76/53/35/403765335.db2.gz MYEGYQFUAVGRHU-ZDUSSCGKSA-N 1 1 307.350 2.176 20 5 DEBDMO Cc1cccc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302840736 403733236 /nfs/dbraw/zinc/73/32/36/403733236.db2.gz CKSDNAALZOHMNH-OKILXGFUSA-N 1 1 307.394 2.449 20 5 DEBDMO Cc1cccc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302840736 403733238 /nfs/dbraw/zinc/73/32/38/403733238.db2.gz CKSDNAALZOHMNH-OKILXGFUSA-N 1 1 307.394 2.449 20 5 DEBDMO C[C@H]([N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)O ZINC000295108352 403762609 /nfs/dbraw/zinc/76/26/09/403762609.db2.gz HIEYUTIWQQZPIS-JTQLQIEISA-N 1 1 320.349 2.236 20 5 DEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000411057851 403836409 /nfs/dbraw/zinc/83/64/09/403836409.db2.gz KQEXDXCGXFOBKA-ZDUSSCGKSA-N 1 1 305.378 2.460 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000411057851 403836415 /nfs/dbraw/zinc/83/64/15/403836415.db2.gz KQEXDXCGXFOBKA-ZDUSSCGKSA-N 1 1 305.378 2.460 20 5 DEBDMO O=C(C[NH+]1CCC(CF)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295147893 403774695 /nfs/dbraw/zinc/77/46/95/403774695.db2.gz NDMSEBCKRFXKSQ-UHFFFAOYSA-N 1 1 321.352 2.165 20 5 DEBDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000341215815 403840758 /nfs/dbraw/zinc/84/07/58/403840758.db2.gz VKVVZBSNSLRCLB-SNVBAGLBSA-N 1 1 317.349 2.138 20 5 DEBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000305232702 403889466 /nfs/dbraw/zinc/88/94/66/403889466.db2.gz TYESRRZWVHRVQX-STQMWFEESA-N 1 1 321.377 2.159 20 5 DEBDMO CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289447957 403968044 /nfs/dbraw/zinc/96/80/44/403968044.db2.gz AALPPKOTUBSFTA-QWRGUYRKSA-N 1 1 321.160 2.405 20 5 DEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344171217 403955058 /nfs/dbraw/zinc/95/50/58/403955058.db2.gz DHPVNRQNXFOZAN-STQMWFEESA-N 1 1 307.325 2.091 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C(C)C)C1COC1 ZINC000295553061 403986628 /nfs/dbraw/zinc/98/66/28/403986628.db2.gz XFRVVVHAKBAOMG-UHFFFAOYSA-N 1 1 321.377 2.341 20 5 DEBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000337418280 404011052 /nfs/dbraw/zinc/01/10/52/404011052.db2.gz ADXPLJKTZSBBBK-MEBBXXQBSA-N 1 1 310.325 2.365 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](N2CCOCC2)[C@@H]1C ZINC000351940090 404021905 /nfs/dbraw/zinc/02/19/05/404021905.db2.gz ZFRUNFFNFCGLLY-JKIFEVAISA-N 1 1 319.405 2.451 20 5 DEBDMO CC1(C)C[C@H](O)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295978767 404036161 /nfs/dbraw/zinc/03/61/61/404036161.db2.gz JCKPBYJTXQBSOG-HUUCEWRRSA-N 1 1 308.378 2.111 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000362998040 404039524 /nfs/dbraw/zinc/03/95/24/404039524.db2.gz URXVVZWCKRMOTF-CQSZACIVSA-N 1 1 306.366 2.399 20 5 DEBDMO O=C(Nc1c[nH+]ccc1-n1cccn1)c1csc([N+](=O)[O-])c1 ZINC000337568456 404103758 /nfs/dbraw/zinc/10/37/58/404103758.db2.gz AJLZBMAQPSZNIN-UHFFFAOYSA-N 1 1 315.314 2.489 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000290648862 404256924 /nfs/dbraw/zinc/25/69/24/404256924.db2.gz QTKMKFPSMASZBK-GFCCVEGCSA-N 1 1 323.393 2.454 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000337819501 404260275 /nfs/dbraw/zinc/26/02/75/404260275.db2.gz SSBYLMUYCJBNDE-GFCCVEGCSA-N 1 1 306.366 2.448 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000290747531 404295168 /nfs/dbraw/zinc/29/51/68/404295168.db2.gz ADCAIRMEHXLDBY-GFCCVEGCSA-N 1 1 323.393 2.454 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](Oc3ccccc3)C2)n1 ZINC000370031339 404310543 /nfs/dbraw/zinc/31/05/43/404310543.db2.gz ZXHPZCSNHCVKEB-OAHLLOKOSA-N 1 1 316.361 2.335 20 5 DEBDMO C[N@H+](Cc1ccoc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342342763 404520882 /nfs/dbraw/zinc/52/08/82/404520882.db2.gz LGJBVBLVOLQSTG-ZDUSSCGKSA-N 1 1 306.318 2.060 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373935910 404648736 /nfs/dbraw/zinc/64/87/36/404648736.db2.gz UPPDXBWWDGIPRT-GXTWGEPZSA-N 1 1 304.350 2.343 20 5 DEBDMO Cc1ccc(C[N@H+](C)C(C)(C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000414563144 404682573 /nfs/dbraw/zinc/68/25/73/404682573.db2.gz BNQRDQYSKPTVRZ-UHFFFAOYSA-N 1 1 321.421 2.446 20 5 DEBDMO CSc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330585623 404693918 /nfs/dbraw/zinc/69/39/18/404693918.db2.gz LJLDUWFDUVYHNI-MNOVXSKESA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330585623 404693921 /nfs/dbraw/zinc/69/39/21/404693921.db2.gz LJLDUWFDUVYHNI-MNOVXSKESA-N 1 1 323.418 2.481 20 5 DEBDMO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000356849703 404707318 /nfs/dbraw/zinc/70/73/18/404707318.db2.gz VMVZMOSBSFSPDW-YPMHNXCESA-N 1 1 321.377 2.245 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000356849703 404707322 /nfs/dbraw/zinc/70/73/22/404707322.db2.gz VMVZMOSBSFSPDW-YPMHNXCESA-N 1 1 321.377 2.245 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357658096 404740097 /nfs/dbraw/zinc/74/00/97/404740097.db2.gz GUASEYSJGXVYFW-ZIAGYGMSSA-N 1 1 307.394 2.449 20 5 DEBDMO CCC([NH3+])(CC)CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414815310 404740949 /nfs/dbraw/zinc/74/09/49/404740949.db2.gz XDECVYOWZCKMIU-LBPRGKRZSA-N 1 1 322.409 2.419 20 5 DEBDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000366241050 404778215 /nfs/dbraw/zinc/77/82/15/404778215.db2.gz OHSTWOCIOSXUGL-OLZOCXBDSA-N 1 1 308.382 2.108 20 5 DEBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000366241050 404778219 /nfs/dbraw/zinc/77/82/19/404778219.db2.gz OHSTWOCIOSXUGL-OLZOCXBDSA-N 1 1 308.382 2.108 20 5 DEBDMO CCc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366562287 404814922 /nfs/dbraw/zinc/81/49/22/404814922.db2.gz VZCFSELDRMOUJV-QGZVFWFLSA-N 1 1 317.389 2.325 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000360996683 404873133 /nfs/dbraw/zinc/87/31/33/404873133.db2.gz STHQPJJCONWWRA-AAEUAGOBSA-N 1 1 309.414 2.429 20 5 DEBDMO CC[C@@](C)(O)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353506750 404851495 /nfs/dbraw/zinc/85/14/95/404851495.db2.gz ZGXIDWUSYKCPLE-GDBMZVCRSA-N 1 1 318.377 2.168 20 5 DEBDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451556834 405012379 /nfs/dbraw/zinc/01/23/79/405012379.db2.gz DQJLOGIFUMFEGA-OCCSQVGLSA-N 1 1 305.378 2.251 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000353999599 404991861 /nfs/dbraw/zinc/99/18/61/404991861.db2.gz MECAAGXETPFSST-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1c([N+](=O)[O-])ccc(=O)n1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000436473400 405084931 /nfs/dbraw/zinc/08/49/31/405084931.db2.gz IPAUVROAHFAMLM-UHFFFAOYSA-N 1 1 318.720 2.414 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408071857 405104291 /nfs/dbraw/zinc/10/42/91/405104291.db2.gz QMFSGRKCFQKPIY-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408071857 405104293 /nfs/dbraw/zinc/10/42/93/405104293.db2.gz QMFSGRKCFQKPIY-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000408277197 405159822 /nfs/dbraw/zinc/15/98/22/405159822.db2.gz NQFLMLNSDIZLLX-QMTHXVAHSA-N 1 1 322.340 2.292 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425043350 405235936 /nfs/dbraw/zinc/23/59/36/405235936.db2.gz FTMDBPHWBAQGQZ-IINYFYTJSA-N 1 1 323.780 2.414 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000425048374 405236443 /nfs/dbraw/zinc/23/64/43/405236443.db2.gz NWQQZWMCPJNDLX-IINYFYTJSA-N 1 1 323.780 2.414 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000425061532 405241252 /nfs/dbraw/zinc/24/12/52/405241252.db2.gz ZJRQQOGMRZKAQH-SWLSCSKDSA-N 1 1 303.362 2.069 20 5 DEBDMO COCCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000419392268 405247241 /nfs/dbraw/zinc/24/72/41/405247241.db2.gz YEBRHLONOSZICQ-GFCCVEGCSA-N 1 1 309.366 2.280 20 5 DEBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452863574 405252628 /nfs/dbraw/zinc/25/26/28/405252628.db2.gz VMLLTYVWQHUPJZ-GDBMZVCRSA-N 1 1 317.389 2.395 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420405074 405345574 /nfs/dbraw/zinc/34/55/74/405345574.db2.gz SQLPIDBLFNFGCE-WMLDXEAASA-N 1 1 319.405 2.438 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000425482954 405297704 /nfs/dbraw/zinc/29/77/04/405297704.db2.gz RBNAAHDDKLJKCG-HNNXBMFYSA-N 1 1 307.394 2.375 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420593294 405359446 /nfs/dbraw/zinc/35/94/46/405359446.db2.gz XMJNXYGDJFVMKW-GFCCVEGCSA-N 1 1 320.393 2.370 20 5 DEBDMO CN(C)CC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447522436 405417289 /nfs/dbraw/zinc/41/72/89/405417289.db2.gz YQRODHBSCVVABT-KBPBESRZSA-N 1 1 323.441 2.452 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426482466 405363133 /nfs/dbraw/zinc/36/31/33/405363133.db2.gz LFSLZPPOUBYWKH-FZMZJTMJSA-N 1 1 319.361 2.416 20 5 DEBDMO CCCN(CCOc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431073636 405572215 /nfs/dbraw/zinc/57/22/15/405572215.db2.gz ZHGXEIIQQMMPRZ-UHFFFAOYSA-N 1 1 307.394 2.438 20 5 DEBDMO Cc1c(CC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457087291 405690359 /nfs/dbraw/zinc/69/03/59/405690359.db2.gz JKHWMLHJNKBNJW-HNNXBMFYSA-N 1 1 319.405 2.387 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CCSCC2)c(F)c1 ZINC000449687445 405692376 /nfs/dbraw/zinc/69/23/76/405692376.db2.gz PNMIXNRBWYMWNV-UHFFFAOYSA-N 1 1 314.382 2.424 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000433015954 405850448 /nfs/dbraw/zinc/85/04/48/405850448.db2.gz ZORDRRZMBNTECW-HNNXBMFYSA-N 1 1 306.362 2.483 20 5 DEBDMO Cc1c(NC(=O)CCCN2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000433114681 405869837 /nfs/dbraw/zinc/86/98/37/405869837.db2.gz GTYBOGYAISXWJZ-UHFFFAOYSA-N 1 1 320.393 2.045 20 5 DEBDMO CN(C)C(=O)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000562383715 405999095 /nfs/dbraw/zinc/99/90/95/405999095.db2.gz UCYSBOOSMSNJPE-UHFFFAOYSA-N 1 1 305.378 2.428 20 5 DEBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486907385 406187864 /nfs/dbraw/zinc/18/78/64/406187864.db2.gz FVUISBGWSYTBNO-LRDDRELGSA-N 1 1 317.389 2.284 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000486966187 406194028 /nfs/dbraw/zinc/19/40/28/406194028.db2.gz KBUPNYHYWNNAFC-WDEREUQCSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000486966187 406194033 /nfs/dbraw/zinc/19/40/33/406194033.db2.gz KBUPNYHYWNNAFC-WDEREUQCSA-N 1 1 323.418 2.481 20 5 DEBDMO COC(=O)Cc1ccc(NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000519863800 406265349 /nfs/dbraw/zinc/26/53/49/406265349.db2.gz DYECZMZHMJKQOY-ZDUSSCGKSA-N 1 1 321.377 2.064 20 5 DEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520468137 406295435 /nfs/dbraw/zinc/29/54/35/406295435.db2.gz UUACTOFIVLMJJE-FRRDWIJNSA-N 1 1 322.409 2.030 20 5 DEBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488746039 406343385 /nfs/dbraw/zinc/34/33/85/406343385.db2.gz MDOSXQNVJHCENF-AAEUAGOBSA-N 1 1 317.345 2.453 20 5 DEBDMO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCO[C@H]1C ZINC000489430508 406404418 /nfs/dbraw/zinc/40/44/18/406404418.db2.gz PHWMDTOPZQYNJB-JSGCOSHPSA-N 1 1 324.377 2.229 20 5 DEBDMO CC(C)OC[C@H](CO)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000571246547 406496168 /nfs/dbraw/zinc/49/61/68/406496168.db2.gz MGSWOXLBHZUBFS-VFADXPBXSA-N 1 1 308.378 2.326 20 5 DEBDMO C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000525788060 406502715 /nfs/dbraw/zinc/50/27/15/406502715.db2.gz DPZRQKODUAOYDE-BVUBDWEXSA-N 1 1 322.409 2.053 20 5 DEBDMO C[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1(C)C ZINC000550115089 406598431 /nfs/dbraw/zinc/59/84/31/406598431.db2.gz HJIGOWQVCILDCU-UHFFFAOYSA-N 1 1 316.361 2.242 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1(C)C ZINC000550115089 406598440 /nfs/dbraw/zinc/59/84/40/406598440.db2.gz HJIGOWQVCILDCU-UHFFFAOYSA-N 1 1 316.361 2.242 20 5 DEBDMO C[C@@H](CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000491478742 406601835 /nfs/dbraw/zinc/60/18/35/406601835.db2.gz MTAMEEXEEZZZAW-OHYQPGSNSA-N 1 1 321.352 2.346 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000549067334 406574438 /nfs/dbraw/zinc/57/44/38/406574438.db2.gz LQJMNEJBZZZJHJ-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491922966 406778741 /nfs/dbraw/zinc/77/87/41/406778741.db2.gz BLGZXGYKRNAYNM-OGOUPESXSA-N 1 1 321.352 2.205 20 5 DEBDMO COCC[NH+](CCOC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116270754 292488874 /nfs/dbraw/zinc/48/88/74/292488874.db2.gz VNMSDMZBSOMBHO-UHFFFAOYSA-N 1 1 302.758 2.343 20 5 DEBDMO COc1cc(C[N@H+](C)[C@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000131996172 196216845 /nfs/dbraw/zinc/21/68/45/196216845.db2.gz JQEXQUYCWMOZIX-MRVPVSSYSA-N 1 1 320.292 2.017 20 5 DEBDMO COc1cc(C[N@@H+](C)[C@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000131996172 196216846 /nfs/dbraw/zinc/21/68/46/196216846.db2.gz JQEXQUYCWMOZIX-MRVPVSSYSA-N 1 1 320.292 2.017 20 5 DEBDMO C[NH+](C)Cc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1Cl ZINC000572062253 292592204 /nfs/dbraw/zinc/59/22/04/292592204.db2.gz DSYZNEOVERXTCR-UHFFFAOYSA-N 1 1 323.740 2.285 20 5 DEBDMO O=C(C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])NC1CC1 ZINC000297474382 227213733 /nfs/dbraw/zinc/21/37/33/227213733.db2.gz RMCUBYDIGQGHGT-UHFFFAOYSA-N 1 1 318.160 2.270 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CCNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000357320687 424814904 /nfs/dbraw/zinc/81/49/04/424814904.db2.gz DLVLUUCQDJNJIZ-GFCCVEGCSA-N 1 1 315.377 2.682 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488753840 269146603 /nfs/dbraw/zinc/14/66/03/269146603.db2.gz SLPGRHMEHNSPQT-MBNYWOFBSA-N 1 1 321.425 2.286 20 5 DEBDMO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000496103523 269200103 /nfs/dbraw/zinc/20/01/03/269200103.db2.gz IPLPVXPQFRCYGA-NSHDSACASA-N 1 1 323.324 2.008 20 5 DEBDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000496103523 269200104 /nfs/dbraw/zinc/20/01/04/269200104.db2.gz IPLPVXPQFRCYGA-NSHDSACASA-N 1 1 323.324 2.008 20 5 DEBDMO COC[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000452036854 274046079 /nfs/dbraw/zinc/04/60/79/274046079.db2.gz KMPROZDUVFDHNZ-LBPRGKRZSA-N 1 1 304.350 2.472 20 5 DEBDMO COC[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000452036854 274046080 /nfs/dbraw/zinc/04/60/80/274046080.db2.gz KMPROZDUVFDHNZ-LBPRGKRZSA-N 1 1 304.350 2.472 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000245721434 274218472 /nfs/dbraw/zinc/21/84/72/274218472.db2.gz OTWNESZDVWKJTC-NEPJUHHUSA-N 1 1 320.393 2.027 20 5 DEBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000413528493 274369704 /nfs/dbraw/zinc/36/97/04/274369704.db2.gz DPJVFVIGXMWMPZ-CYBMUJFWSA-N 1 1 313.361 2.096 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000354204394 274398392 /nfs/dbraw/zinc/39/83/92/274398392.db2.gz OBARLSYHWSSWMQ-NWDGAFQWSA-N 1 1 303.362 2.214 20 5 DEBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)cs1 ZINC000288623932 275033143 /nfs/dbraw/zinc/03/31/43/275033143.db2.gz SATUJJUARKDBCC-RISCZKNCSA-N 1 1 306.343 2.241 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCCCO)C3CC3)nc2c1 ZINC000444649097 275038876 /nfs/dbraw/zinc/03/88/76/275038876.db2.gz LBRCNBXLXVIZNC-UHFFFAOYSA-N 1 1 304.350 2.208 20 5 DEBDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351980447 279117952 /nfs/dbraw/zinc/11/79/52/279117952.db2.gz CEAONKDHYCTVPY-IUODEOHRSA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351980447 279117954 /nfs/dbraw/zinc/11/79/54/279117954.db2.gz CEAONKDHYCTVPY-IUODEOHRSA-N 1 1 323.368 2.029 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)N1CCN(C)CC1 ZINC000127554423 281860410 /nfs/dbraw/zinc/86/04/10/281860410.db2.gz UGHJSIFYCWLCPS-CABCVRRESA-N 1 1 320.437 2.190 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000574885978 326196861 /nfs/dbraw/zinc/19/68/61/326196861.db2.gz LKHMTYPVRNYAAZ-LLVKDONJSA-N 1 1 322.365 2.161 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000584311918 332290687 /nfs/dbraw/zinc/29/06/87/332290687.db2.gz ZQYBKMORWYRJPU-JSGCOSHPSA-N 1 1 305.378 2.251 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000584311918 332290688 /nfs/dbraw/zinc/29/06/88/332290688.db2.gz ZQYBKMORWYRJPU-JSGCOSHPSA-N 1 1 305.378 2.251 20 5 DEBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000338437115 520585758 /nfs/dbraw/zinc/58/57/58/520585758.db2.gz DCWMPFGBYLFMLW-LBPRGKRZSA-N 1 1 308.382 2.307 20 5 DEBDMO Cc1cccc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000292343294 534597350 /nfs/dbraw/zinc/59/73/50/534597350.db2.gz UYFRNYQPIICMFP-INIZCTEOSA-N 1 1 303.362 2.071 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000337355691 522681547 /nfs/dbraw/zinc/68/15/47/522681547.db2.gz CAZWIKJPDYTBBK-HUUCEWRRSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000354017900 524278263 /nfs/dbraw/zinc/27/82/63/524278263.db2.gz CNWCRXAUHJDATE-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC(C)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000441527142 527943934 /nfs/dbraw/zinc/94/39/34/527943934.db2.gz VVIJHORUIYMPPH-HNNXBMFYSA-N 1 1 310.398 2.053 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493528855 535011529 /nfs/dbraw/zinc/01/15/29/535011529.db2.gz YEXGNVVFUVJOLH-ASCRHOAZSA-N 1 1 305.378 2.453 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC001327797534 1148646181 /nfs/dbraw/zinc/64/61/81/1148646181.db2.gz IXRZWKYDPWNKDE-GJZGRUSLSA-N 1 1 306.362 2.008 20 5 DEBDMO CCOC1CC[NH+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000891667040 624524438 /nfs/dbraw/zinc/52/44/38/624524438.db2.gz GGAWOXYQCLZQIG-UHFFFAOYSA-N 1 1 310.350 2.310 20 5 DEBDMO COc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000892078093 624773872 /nfs/dbraw/zinc/77/38/72/624773872.db2.gz GOJWTQMJCRNVKG-LLVKDONJSA-N 1 1 318.333 2.278 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000892078093 624773875 /nfs/dbraw/zinc/77/38/75/624773875.db2.gz GOJWTQMJCRNVKG-LLVKDONJSA-N 1 1 318.333 2.278 20 5 DEBDMO C[C@@]1(O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000235463306 625809341 /nfs/dbraw/zinc/80/93/41/625809341.db2.gz ZSMAGWMLFAOHJR-GFCCVEGCSA-N 1 1 315.167 2.314 20 5 DEBDMO C[C@@]1(O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000235463306 625809342 /nfs/dbraw/zinc/80/93/42/625809342.db2.gz ZSMAGWMLFAOHJR-GFCCVEGCSA-N 1 1 315.167 2.314 20 5 DEBDMO Cc1cc(C(=O)OCCC[N@H+]2CCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000893388484 633227230 /nfs/dbraw/zinc/22/72/30/633227230.db2.gz GVNODTODJIGBAW-ZDUSSCGKSA-N 1 1 322.361 2.171 20 5 DEBDMO CC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]2CC1 ZINC000946418261 634047138 /nfs/dbraw/zinc/04/71/38/634047138.db2.gz ANXVOKOQKYQMNB-GASCZTMLSA-N 1 1 317.389 2.285 20 5 DEBDMO Cc1cc(C(=O)NCC[N@H+]2CCCC2(C)C)c(N)c([N+](=O)[O-])c1 ZINC000837175896 650171601 /nfs/dbraw/zinc/17/16/01/650171601.db2.gz YYWRKKHISQUJHZ-UHFFFAOYSA-N 1 1 320.393 2.090 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000837186087 650172374 /nfs/dbraw/zinc/17/23/74/650172374.db2.gz MUOZOAWGAOQZGU-GFCCVEGCSA-N 1 1 309.341 2.289 20 5 DEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC000981136656 635322669 /nfs/dbraw/zinc/32/26/69/635322669.db2.gz CJZPHIJUIKZFOX-HZPDHXFCSA-N 1 1 323.437 2.156 20 5 DEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCC2CCCCC2)CC1 ZINC000981136656 635322673 /nfs/dbraw/zinc/32/26/73/635322673.db2.gz CJZPHIJUIKZFOX-HZPDHXFCSA-N 1 1 323.437 2.156 20 5 DEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC000981136656 635322676 /nfs/dbraw/zinc/32/26/76/635322676.db2.gz CJZPHIJUIKZFOX-HZPDHXFCSA-N 1 1 323.437 2.156 20 5 DEBDMO CC(=O)N1C[C@]2(C)C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000982177151 635896662 /nfs/dbraw/zinc/89/66/62/635896662.db2.gz GKZNJEVFZRPTKX-CALCHBBNSA-N 1 1 317.389 2.285 20 5 DEBDMO C[N@@H+](CCOC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000837577443 650223426 /nfs/dbraw/zinc/22/34/26/650223426.db2.gz DDKJUWOZZCHFSV-UHFFFAOYSA-N 1 1 315.329 2.279 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](CC(C)(C)O)C2CC2)c1[N+](=O)[O-] ZINC000893707807 635959127 /nfs/dbraw/zinc/95/91/27/635959127.db2.gz YHMWKPKMOQFSSR-UHFFFAOYSA-N 1 1 310.350 2.044 20 5 DEBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108303872 636577203 /nfs/dbraw/zinc/57/72/03/636577203.db2.gz IOXWXIREMWDAHX-SBJJXXPASA-N 1 1 315.373 2.209 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894255463 636578885 /nfs/dbraw/zinc/57/88/85/636578885.db2.gz ZEOILRNAXDIWDA-CMPLNLGQSA-N 1 1 310.350 2.308 20 5 DEBDMO CC(=O)N1C[C@@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000895575769 638089339 /nfs/dbraw/zinc/08/93/39/638089339.db2.gz INHISNRLQJGUNC-HSOFZRLZSA-N 1 1 315.373 2.018 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000895873942 638239981 /nfs/dbraw/zinc/23/99/81/638239981.db2.gz CMJNCIPTYPCFIS-LBPRGKRZSA-N 1 1 303.362 2.178 20 5 DEBDMO Cc1cc(CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)nn1C ZINC000896023436 638315512 /nfs/dbraw/zinc/31/55/12/638315512.db2.gz NCVVJJQXXHFYNO-UHFFFAOYSA-N 1 1 311.345 2.261 20 5 DEBDMO O=C1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CN1CC1CC1 ZINC000896036896 638325841 /nfs/dbraw/zinc/32/58/41/638325841.db2.gz YHCIIDXNOIPFEV-CYBMUJFWSA-N 1 1 323.780 2.349 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000896061206 638333049 /nfs/dbraw/zinc/33/30/49/638333049.db2.gz YTEMUIRYPPGEBZ-FZMZJTMJSA-N 1 1 322.361 2.310 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1C 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Cc1nn(C[N@H+](C)C[C@H]2CCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000760536682 640204240 /nfs/dbraw/zinc/20/42/40/640204240.db2.gz HUEDWEAOTZWJFF-CYBMUJFWSA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1nn(C[N@@H+](C)C[C@H]2CCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000760536682 640204245 /nfs/dbraw/zinc/20/42/45/640204245.db2.gz HUEDWEAOTZWJFF-CYBMUJFWSA-N 1 1 304.350 2.321 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1ccc([N+](=O)[O-])cc1N ZINC000761732625 640341230 /nfs/dbraw/zinc/34/12/30/640341230.db2.gz NSJBIVKPHNJBJY-NSHDSACASA-N 1 1 307.350 2.208 20 5 DEBDMO C[C@H](C[NH2+]Cc1nnn(C(C)(C)C)n1)c1ccccc1[N+](=O)[O-] ZINC000897459507 640430642 /nfs/dbraw/zinc/43/06/42/640430642.db2.gz ACHIAXCXPJHQMH-LLVKDONJSA-N 1 1 318.381 2.230 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1C ZINC000765635947 640803338 /nfs/dbraw/zinc/80/33/38/640803338.db2.gz OKGXAAWJTLNEJR-UWVGGRQHSA-N 1 1 305.338 2.050 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000769143398 641184312 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305.378 2.392 20 5 DEBDMO C[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000775576643 642062245 /nfs/dbraw/zinc/06/22/45/642062245.db2.gz LWKNYZKJOVWQCF-SECBINFHSA-N 1 1 319.283 2.314 20 5 DEBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000776295887 642156412 /nfs/dbraw/zinc/15/64/12/642156412.db2.gz TUBKVTNSUWPFBS-SECBINFHSA-N 1 1 312.757 2.321 20 5 DEBDMO CC(C)C[C@H]1COCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584302 642188107 /nfs/dbraw/zinc/18/81/07/642188107.db2.gz KLKMJGNHFOMQDA-HOTGVXAUSA-N 1 1 308.378 2.375 20 5 DEBDMO CC(C)C[C@H]1COCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584302 642188110 /nfs/dbraw/zinc/18/81/10/642188110.db2.gz KLKMJGNHFOMQDA-HOTGVXAUSA-N 1 1 308.378 2.375 20 5 DEBDMO O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000901218747 642598928 /nfs/dbraw/zinc/59/89/28/642598928.db2.gz VFWNKDAGMCRDDJ-GXFFZTMASA-N 1 1 305.334 2.256 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CCOCC2)cc1Cl 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UMCONNWDDFFBTR-UHFFFAOYSA-N 1 1 319.365 2.442 20 5 DEBDMO C[N@@H+](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)CC(C)(C)C ZINC000904023800 643545191 /nfs/dbraw/zinc/54/51/91/643545191.db2.gz UMCONNWDDFFBTR-UHFFFAOYSA-N 1 1 319.365 2.442 20 5 DEBDMO COc1cc(CN2CC[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000904411234 643661955 /nfs/dbraw/zinc/66/19/55/643661955.db2.gz KFYTXYHGWZXHRH-NEPJUHHUSA-N 1 1 323.393 2.029 20 5 DEBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792881171 644163957 /nfs/dbraw/zinc/16/39/57/644163957.db2.gz XWYPYFGDWTUDIE-SUNKGSAMSA-N 1 1 323.349 2.484 20 5 DEBDMO C[C@@]1(O)CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000794668377 644457017 /nfs/dbraw/zinc/45/70/17/644457017.db2.gz TYJSMJFMVHBSBB-OAHLLOKOSA-N 1 1 304.350 2.139 20 5 DEBDMO CC[N@H+](CC1CCC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000794682287 644460363 /nfs/dbraw/zinc/46/03/63/644460363.db2.gz HHAHREMKLZCOOZ-UHFFFAOYSA-N 1 1 317.345 2.270 20 5 DEBDMO CC[N@@H+](CC1CCC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000794682287 644460365 /nfs/dbraw/zinc/46/03/65/644460365.db2.gz HHAHREMKLZCOOZ-UHFFFAOYSA-N 1 1 317.345 2.270 20 5 DEBDMO CCC[N@H+](CCN1CCCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796380177 644727913 /nfs/dbraw/zinc/72/79/13/644727913.db2.gz QJXBZJNJXALNFR-KRWDZBQOSA-N 1 1 321.421 2.436 20 5 DEBDMO CCC[N@@H+](CCN1CCCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796380177 644727918 /nfs/dbraw/zinc/72/79/18/644727918.db2.gz QJXBZJNJXALNFR-KRWDZBQOSA-N 1 1 321.421 2.436 20 5 DEBDMO CCC[N@H+](CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000839989913 645600914 /nfs/dbraw/zinc/60/09/14/645600914.db2.gz CJEPFOIQXZQAED-MRXNPFEDSA-N 1 1 319.361 2.364 20 5 DEBDMO CCC[N@@H+](CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000839989913 645600917 /nfs/dbraw/zinc/60/09/17/645600917.db2.gz CJEPFOIQXZQAED-MRXNPFEDSA-N 1 1 319.361 2.364 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC[C@H]21 ZINC000804556766 645789343 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DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000810836766 646431055 /nfs/dbraw/zinc/43/10/55/646431055.db2.gz IAMHJCVNHSZEAG-DGCLKSJQSA-N 1 1 320.345 2.387 20 5 DEBDMO CC[C@@H]1CCCC[N@@H+]1CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819065633 647576913 /nfs/dbraw/zinc/57/69/13/647576913.db2.gz LKRINFWWQGLTKO-WBVHZDCISA-N 1 1 321.421 2.482 20 5 DEBDMO CC[C@@H]1CCCC[N@H+]1CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819065633 647576914 /nfs/dbraw/zinc/57/69/14/647576914.db2.gz LKRINFWWQGLTKO-WBVHZDCISA-N 1 1 321.421 2.482 20 5 DEBDMO CC[C@H](C[NH+]1CCCC1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819079432 647579144 /nfs/dbraw/zinc/57/91/44/647579144.db2.gz UUFVRUIIFQSBHO-ZBFHGGJFSA-N 1 1 307.394 2.092 20 5 DEBDMO C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000819102603 647583805 /nfs/dbraw/zinc/58/38/05/647583805.db2.gz MYCLLWYECHXDPL-DOMZBBRYSA-N 1 1 309.410 2.194 20 5 DEBDMO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)CN(C)C ZINC000819102603 647583809 /nfs/dbraw/zinc/58/38/09/647583809.db2.gz MYCLLWYECHXDPL-DOMZBBRYSA-N 1 1 309.410 2.194 20 5 DEBDMO CCC[N@@H+]1CCC[C@H]1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819310270 647631470 /nfs/dbraw/zinc/63/14/70/647631470.db2.gz UTCZSOBOCGHZPM-JKSUJKDBSA-N 1 1 307.394 2.092 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819310270 647631473 /nfs/dbraw/zinc/63/14/73/647631473.db2.gz UTCZSOBOCGHZPM-JKSUJKDBSA-N 1 1 307.394 2.092 20 5 DEBDMO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000917569966 648013581 /nfs/dbraw/zinc/01/35/81/648013581.db2.gz CLPLWPBGBZYXBV-OLZOCXBDSA-N 1 1 320.393 2.297 20 5 DEBDMO CC[C@H](NC(=O)NC[C@H]1CC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000921334874 648291437 /nfs/dbraw/zinc/29/14/37/648291437.db2.gz UXEHEOXTPQVDHR-KGLIPLIRSA-N 1 1 306.366 2.049 20 5 DEBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000921336872 648292043 /nfs/dbraw/zinc/29/20/43/648292043.db2.gz YXXMVXWOPTZWSF-SCRDCRAPSA-N 1 1 320.393 2.356 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826721456 648914960 /nfs/dbraw/zinc/91/49/60/648914960.db2.gz GHIVFFZYIUVOGF-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO Cc1sc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827346278 649019674 /nfs/dbraw/zinc/01/96/74/649019674.db2.gz NVHZYLNNBJKIHS-GHMZBOCLSA-N 1 1 309.391 2.131 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829572181 649324565 /nfs/dbraw/zinc/32/45/65/649324565.db2.gz FPWYGIRZRHYFQI-GFCCVEGCSA-N 1 1 308.338 2.422 20 5 DEBDMO C[N@H+]1CC[C@@H]1CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000830133982 649398909 /nfs/dbraw/zinc/39/89/09/649398909.db2.gz ADSWWLVZMLIKAO-SNVBAGLBSA-N 1 1 311.769 2.001 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000832348170 649700195 /nfs/dbraw/zinc/70/01/95/649700195.db2.gz HQWVFYUYJXOSHG-HOTGVXAUSA-N 1 1 306.362 2.131 20 5 DEBDMO CCN1C[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)OC1=O ZINC000846842257 651356100 /nfs/dbraw/zinc/35/61/00/651356100.db2.gz RZRJXSVGYVOSJF-HNNXBMFYSA-N 1 1 319.361 2.400 20 5 DEBDMO CCN1C[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)OC1=O ZINC000846842257 651356101 /nfs/dbraw/zinc/35/61/01/651356101.db2.gz RZRJXSVGYVOSJF-HNNXBMFYSA-N 1 1 319.361 2.400 20 5 DEBDMO COc1cc(C(=O)OCC[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000847821605 651420665 /nfs/dbraw/zinc/42/06/65/651420665.db2.gz JIXRVXMXORPRQV-GFCCVEGCSA-N 1 1 322.361 2.410 20 5 DEBDMO C[N@@H+]1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000848033699 651435085 /nfs/dbraw/zinc/43/50/85/651435085.db2.gz OYVKNZYSUQCXCH-UHFFFAOYSA-N 1 1 323.418 2.240 20 5 DEBDMO C[N@H+]1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000848033699 651435087 /nfs/dbraw/zinc/43/50/87/651435087.db2.gz OYVKNZYSUQCXCH-UHFFFAOYSA-N 1 1 323.418 2.240 20 5 DEBDMO C[N@@H+](CC1CC1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848474868 651461525 /nfs/dbraw/zinc/46/15/25/651461525.db2.gz KHHGFDRTGKXYHS-OAHLLOKOSA-N 1 1 303.362 2.210 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848480988 651461754 /nfs/dbraw/zinc/46/17/54/651461754.db2.gz UCTFFURDUNBQMF-IUODEOHRSA-N 1 1 303.362 2.353 20 5 DEBDMO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850429323 651927800 /nfs/dbraw/zinc/92/78/00/651927800.db2.gz YQPPSMYCBNUXML-LLVKDONJSA-N 1 1 309.366 2.122 20 5 DEBDMO C[C@@H]1C[NH+](CCN2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H](C)O1 ZINC000851869347 652266288 /nfs/dbraw/zinc/26/62/88/652266288.db2.gz DQMAZEWHRLDKEO-ZIAGYGMSSA-N 1 1 319.405 2.062 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928435571 693778217 /nfs/dbraw/zinc/77/82/17/693778217.db2.gz HLQPQZVLXWBEPU-QWHCGFSZSA-N 1 1 305.378 2.342 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000928439344 693779857 /nfs/dbraw/zinc/77/98/57/693779857.db2.gz NREOHMSHIMAGHP-QMTHXVAHSA-N 1 1 323.368 2.220 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928557640 693802086 /nfs/dbraw/zinc/80/20/86/693802086.db2.gz PZUCENQKBDXHGX-LLVKDONJSA-N 1 1 309.391 2.141 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928557640 693802090 /nfs/dbraw/zinc/80/20/90/693802090.db2.gz PZUCENQKBDXHGX-LLVKDONJSA-N 1 1 309.391 2.141 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928557641 693802637 /nfs/dbraw/zinc/80/26/37/693802637.db2.gz PZUCENQKBDXHGX-NSHDSACASA-N 1 1 309.391 2.141 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928557641 693802641 /nfs/dbraw/zinc/80/26/41/693802641.db2.gz PZUCENQKBDXHGX-NSHDSACASA-N 1 1 309.391 2.141 20 5 DEBDMO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@@H]1CCSC1 ZINC000125018047 684141357 /nfs/dbraw/zinc/14/13/57/684141357.db2.gz ZJAGNMMJVQPOIF-GFCCVEGCSA-N 1 1 319.390 2.248 20 5 DEBDMO C[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@@H]1CCSC1 ZINC000125018047 684141359 /nfs/dbraw/zinc/14/13/59/684141359.db2.gz ZJAGNMMJVQPOIF-GFCCVEGCSA-N 1 1 319.390 2.248 20 5 DEBDMO Cc1c[nH+]cn1CC(=O)O[C@H](c1ccccc1F)[C@H](C)[N+](=O)[O-] ZINC000860854839 685968854 /nfs/dbraw/zinc/96/88/54/685968854.db2.gz KOHUPGVVRYQTGO-NHYWBVRUSA-N 1 1 321.308 2.280 20 5 DEBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000861343090 686049738 /nfs/dbraw/zinc/04/97/38/686049738.db2.gz YNGVXBYLZYKWEN-LRDDRELGSA-N 1 1 322.361 2.169 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865893876 687370263 /nfs/dbraw/zinc/37/02/63/687370263.db2.gz DVBRHLFPXZRTOC-LBPRGKRZSA-N 1 1 323.368 2.077 20 5 DEBDMO CC(C)[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000866216495 687496142 /nfs/dbraw/zinc/49/61/42/687496142.db2.gz SJFZCCSYZLVGEQ-CYBMUJFWSA-N 1 1 308.338 2.279 20 5 DEBDMO Cc1c([C@@H](C)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000866414899 687565999 /nfs/dbraw/zinc/56/59/99/687565999.db2.gz UWXJIDBEULIJFL-KGLIPLIRSA-N 1 1 321.421 2.399 20 5 DEBDMO Cc1c([C@@H](C)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000866414899 687566002 /nfs/dbraw/zinc/56/60/02/687566002.db2.gz UWXJIDBEULIJFL-KGLIPLIRSA-N 1 1 321.421 2.399 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000930318097 694135024 /nfs/dbraw/zinc/13/50/24/694135024.db2.gz ZSPOYBQHRLIBCH-TZMCWYRMSA-N 1 1 318.377 2.379 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(COC2)O1 ZINC000930438421 694162252 /nfs/dbraw/zinc/16/22/52/694162252.db2.gz ADSGFFMBONJWLH-CQSZACIVSA-N 1 1 306.362 2.017 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000868850000 688159523 /nfs/dbraw/zinc/15/95/23/688159523.db2.gz QBEHWDPCWCBLGL-GFCCVEGCSA-N 1 1 323.368 2.125 20 5 DEBDMO C[C@@]([NH3+])(C(=O)N1CCC[C@@H](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000870955728 688694905 /nfs/dbraw/zinc/69/49/05/688694905.db2.gz YGYLBXNJNNNBHP-LRDDRELGSA-N 1 1 323.368 2.367 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000871764314 688863127 /nfs/dbraw/zinc/86/31/27/688863127.db2.gz FSAKINZVCWPMGG-KBPBESRZSA-N 1 1 322.340 2.434 20 5 DEBDMO Cc1c(CNc2cc3n(n2)CC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000873152376 689171825 /nfs/dbraw/zinc/17/18/25/689171825.db2.gz NCBLISHZTXGQCT-UHFFFAOYSA-N 1 1 301.350 2.157 20 5 DEBDMO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000930919289 694273901 /nfs/dbraw/zinc/27/39/01/694273901.db2.gz UJYXPRWAZLBLRZ-BREBYQMCSA-N 1 1 309.341 2.208 20 5 DEBDMO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000930927244 694275939 /nfs/dbraw/zinc/27/59/39/694275939.db2.gz BJIXXJIIXFVZDX-HOTGVXAUSA-N 1 1 315.373 2.005 20 5 DEBDMO C[C@H]1[C@H](N(C)C)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000931037780 694300057 /nfs/dbraw/zinc/30/00/57/694300057.db2.gz JBFKCTJCKKTILF-XJKSGUPXSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@H]1[C@H](N(C)C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000931037780 694300061 /nfs/dbraw/zinc/30/00/61/694300061.db2.gz JBFKCTJCKKTILF-XJKSGUPXSA-N 1 1 307.394 2.388 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1C ZINC000931233291 694345147 /nfs/dbraw/zinc/34/51/47/694345147.db2.gz JZMMTVHQBVKBPI-UHFFFAOYSA-N 1 1 320.374 2.252 20 5 DEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CC1(O)CCCC1 ZINC000877916701 690259882 /nfs/dbraw/zinc/25/98/82/690259882.db2.gz IJLPBQVCJVPWJZ-CQSZACIVSA-N 1 1 308.378 2.083 20 5 DEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CC1(O)CCCC1 ZINC000877916701 690259886 /nfs/dbraw/zinc/25/98/86/690259886.db2.gz IJLPBQVCJVPWJZ-CQSZACIVSA-N 1 1 308.378 2.083 20 5 DEBDMO NC(=O)[C@@H](C1CC1)[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000879489296 690653162 /nfs/dbraw/zinc/65/31/62/690653162.db2.gz XSHFAKITJGUDKJ-OAHLLOKOSA-N 1 1 303.362 2.071 20 5 DEBDMO NC(=O)[C@@H](C1CC1)[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000879489296 690653164 /nfs/dbraw/zinc/65/31/64/690653164.db2.gz XSHFAKITJGUDKJ-OAHLLOKOSA-N 1 1 303.362 2.071 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621321 690691468 /nfs/dbraw/zinc/69/14/68/690691468.db2.gz VREXXGIKUKOKCF-BXUZGUMPSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621321 690691471 /nfs/dbraw/zinc/69/14/71/690691471.db2.gz VREXXGIKUKOKCF-BXUZGUMPSA-N 1 1 321.377 2.015 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]2C1 ZINC000931438046 694396366 /nfs/dbraw/zinc/39/63/66/694396366.db2.gz YJRZAABPYGZUIF-NEPJUHHUSA-N 1 1 316.361 2.120 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000880140352 690818162 /nfs/dbraw/zinc/81/81/62/690818162.db2.gz BFUXIYCGHODKSZ-UONOGXRCSA-N 1 1 320.349 2.172 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000880140348 690818505 /nfs/dbraw/zinc/81/85/05/690818505.db2.gz BFUXIYCGHODKSZ-KBPBESRZSA-N 1 1 320.349 2.172 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC2(CC1)COCCO2 ZINC000880542983 690922914 /nfs/dbraw/zinc/92/29/14/690922914.db2.gz WWXMQPWHMKCSIH-UHFFFAOYSA-N 1 1 310.325 2.115 20 5 DEBDMO C[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000880612822 690942357 /nfs/dbraw/zinc/94/23/57/690942357.db2.gz KAQJXVQWVSSVFO-HNNXBMFYSA-N 1 1 319.405 2.326 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000882494007 691297821 /nfs/dbraw/zinc/29/78/21/691297821.db2.gz MVTPAVHBKSTJCD-JTQLQIEISA-N 1 1 311.769 2.381 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000882961411 691398519 /nfs/dbraw/zinc/39/85/19/691398519.db2.gz MWVDWLKMLSTLFU-SCXUMTSISA-N 1 1 319.361 2.287 20 5 DEBDMO COC1(OC)CCOC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000931665680 694451185 /nfs/dbraw/zinc/45/11/85/694451185.db2.gz AODDZXNBXOVJCZ-BXUZGUMPSA-N 1 1 310.350 2.023 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000886094407 692002021 /nfs/dbraw/zinc/00/20/21/692002021.db2.gz QZPQBQBQFAKGBA-ZDUSSCGKSA-N 1 1 321.377 2.007 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932005732 694524167 /nfs/dbraw/zinc/52/41/67/694524167.db2.gz YBUYLCJHQIDCOR-GFCCVEGCSA-N 1 1 322.361 2.188 20 5 DEBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](C3OCCO3)C2)c(F)c1 ZINC000932000206 694522542 /nfs/dbraw/zinc/52/25/42/694522542.db2.gz NBIDOIQYWHKTFJ-VIFPVBQESA-N 1 1 314.288 2.068 20 5 DEBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](C3OCCO3)C2)c(F)c1 ZINC000932000206 694522545 /nfs/dbraw/zinc/52/25/45/694522545.db2.gz NBIDOIQYWHKTFJ-VIFPVBQESA-N 1 1 314.288 2.068 20 5 DEBDMO CCOc1cc(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000888836138 692611749 /nfs/dbraw/zinc/61/17/49/692611749.db2.gz NFRVZXJOABFRCZ-GFCCVEGCSA-N 1 1 322.365 2.209 20 5 DEBDMO COC(=O)C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000932108072 694549271 /nfs/dbraw/zinc/54/92/71/694549271.db2.gz UMNCNHAKLDBFKT-ZYHUDNBSSA-N 1 1 310.325 2.365 20 5 DEBDMO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000932108072 694549273 /nfs/dbraw/zinc/54/92/73/694549273.db2.gz UMNCNHAKLDBFKT-ZYHUDNBSSA-N 1 1 310.325 2.365 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000896914638 693013214 /nfs/dbraw/zinc/01/32/14/693013214.db2.gz LPXORRKUCRVIAB-XJKSGUPXSA-N 1 1 305.378 2.129 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335459596 1150422573 /nfs/dbraw/zinc/42/25/73/1150422573.db2.gz IIJAFWDJQIQDOI-UKRRQHHQSA-N 1 1 307.394 2.091 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335459596 1150422574 /nfs/dbraw/zinc/42/25/74/1150422574.db2.gz IIJAFWDJQIQDOI-UKRRQHHQSA-N 1 1 307.394 2.091 20 5 DEBDMO Cc1cc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)ccc1[N+](=O)[O-] ZINC001350073091 1151321755 /nfs/dbraw/zinc/32/17/55/1151321755.db2.gz LYWMFLAXVCQOIG-KWCYVHTRSA-N 1 1 318.377 2.365 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H](CF)C3)n2)cc1 ZINC001353197192 1151815869 /nfs/dbraw/zinc/81/58/69/1151815869.db2.gz YHGIHRMHBMBLLK-LBPRGKRZSA-N 1 1 319.340 2.492 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC[C@@H](CF)C3)n2)cc1 ZINC001353197192 1151815872 /nfs/dbraw/zinc/81/58/72/1151815872.db2.gz YHGIHRMHBMBLLK-LBPRGKRZSA-N 1 1 319.340 2.492 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC001353285531 1151821627 /nfs/dbraw/zinc/82/16/27/1151821627.db2.gz ODADPSNKRKPDOD-BIMULSAOSA-N 1 1 323.780 2.318 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N1CCC(c2c[nH+]cn2C)CC1 ZINC001354414477 1151893483 /nfs/dbraw/zinc/89/34/83/1151893483.db2.gz HHTOHFZHRQIIPF-UHFFFAOYSA-N 1 1 317.349 2.116 20 5 DEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001435179577 1178932788 /nfs/dbraw/zinc/93/27/88/1178932788.db2.gz NAWPXAZUMGZDIH-UHFFFAOYSA-N 1 1 323.312 2.106 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611713172 719188579 /nfs/dbraw/zinc/18/85/79/719188579.db2.gz ZARQYXSQFVXARZ-QWRGUYRKSA-N 1 1 301.350 2.067 20 5 DEBDMO Cc1cnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c([N+](=O)[O-])c1 ZINC001164769984 721279700 /nfs/dbraw/zinc/27/97/00/721279700.db2.gz QRUYDNCQALJSJE-UHFFFAOYSA-N 1 1 302.378 2.220 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001330638456 1149224182 /nfs/dbraw/zinc/22/41/82/1149224182.db2.gz GUVHWKVBPXKEPK-OCCSQVGLSA-N 1 1 319.361 2.142 20 5 DEBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086083074 784394638 /nfs/dbraw/zinc/39/46/38/784394638.db2.gz NBBQBBGVYGSHED-QKPAOTATSA-N 1 1 323.437 2.106 20 5 DEBDMO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OCc1ccccc1 ZINC001168974631 784993153 /nfs/dbraw/zinc/99/31/53/784993153.db2.gz RKOMPMVEKSMOII-QEJZJMRPSA-N 1 1 306.362 2.153 20 5 DEBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@]1(O)C(F)(F)F ZINC001169011842 785002737 /nfs/dbraw/zinc/00/27/37/785002737.db2.gz MRVQOEBAPYFEOD-WRWGMCAJSA-N 1 1 310.316 2.067 20 5 DEBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@]1(O)C(F)(F)F ZINC001169012768 785003002 /nfs/dbraw/zinc/00/30/02/785003002.db2.gz SCLFJLLWMTTYJC-KKOKHZNYSA-N 1 1 310.316 2.067 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Oc3cccnc3)C2)C1 ZINC001169027058 785008437 /nfs/dbraw/zinc/00/84/37/785008437.db2.gz OYESGBYHBTYNCA-IJEWVQPXSA-N 1 1 305.378 2.370 20 5 DEBDMO COC(=O)c1cccc2c1C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169036335 785010751 /nfs/dbraw/zinc/01/07/51/785010751.db2.gz NOIFQGCRENOQOT-DGCLKSJQSA-N 1 1 304.346 2.234 20 5 DEBDMO Cc1cccc(N2CCC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169036563 785011937 /nfs/dbraw/zinc/01/19/37/785011937.db2.gz GPUJQKGTTVVFIL-CVEARBPZSA-N 1 1 318.421 2.348 20 5 DEBDMO COc1ccc(C[C@@H](C)N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001170329848 786911494 /nfs/dbraw/zinc/91/14/94/786911494.db2.gz VUSVKGVKQGMTKL-CYBMUJFWSA-N 1 1 307.394 2.172 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC001170329848 786911500 /nfs/dbraw/zinc/91/15/00/786911500.db2.gz VUSVKGVKQGMTKL-CYBMUJFWSA-N 1 1 307.394 2.172 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC001170329848 786911509 /nfs/dbraw/zinc/91/15/09/786911509.db2.gz VUSVKGVKQGMTKL-CYBMUJFWSA-N 1 1 307.394 2.172 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+]2CCn3cncc3C2)c([N+](=O)[O-])c1 ZINC001170352862 786916724 /nfs/dbraw/zinc/91/67/24/786916724.db2.gz SBYAPDZNUKTNQE-LBPRGKRZSA-N 1 1 316.361 2.247 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CCn3cncc3C2)c([N+](=O)[O-])c1 ZINC001170352862 786916729 /nfs/dbraw/zinc/91/67/29/786916729.db2.gz SBYAPDZNUKTNQE-LBPRGKRZSA-N 1 1 316.361 2.247 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCOC3(CC3)C2)c([N+](=O)[O-])c1 ZINC001170354438 786917539 /nfs/dbraw/zinc/91/75/39/786917539.db2.gz LFPDOWIIYQSPBL-GFCCVEGCSA-N 1 1 306.362 2.399 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CCOC3(CC3)C2)c([N+](=O)[O-])c1 ZINC001170354438 786917544 /nfs/dbraw/zinc/91/75/44/786917544.db2.gz LFPDOWIIYQSPBL-GFCCVEGCSA-N 1 1 306.362 2.399 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@]23CCOC3)c([N+](=O)[O-])c1 ZINC001170351543 786931144 /nfs/dbraw/zinc/93/11/44/786931144.db2.gz CXNYRNQMVNDUMD-MLGOLLRUSA-N 1 1 306.362 2.399 20 5 DEBDMO Cc1cc(NCCCNC(=O)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001094456554 792931902 /nfs/dbraw/zinc/93/19/02/792931902.db2.gz JELVFRZMBSWZJR-UHFFFAOYSA-N 1 1 322.409 2.162 20 5 DEBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094640148 793035731 /nfs/dbraw/zinc/03/57/31/793035731.db2.gz TZYHWTNPNMEQOM-UHFFFAOYSA-N 1 1 322.409 2.243 20 5 DEBDMO CC[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(=O)OC ZINC001172900010 793522873 /nfs/dbraw/zinc/52/28/73/793522873.db2.gz RFCGCBIPUNRGOE-HIFRSBDPSA-N 1 1 306.362 2.383 20 5 DEBDMO CN1CC[C@@H]([N@@H+](C)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914030 793530902 /nfs/dbraw/zinc/53/09/02/793530902.db2.gz XXVZTBYDNKBCFQ-DOTOQJQBSA-N 1 1 303.406 2.478 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@@H]3COC[C@@H]3C2)c1F ZINC001173180488 793620326 /nfs/dbraw/zinc/62/03/26/793620326.db2.gz LDLOAFPKDMTKOH-SDDRHHMPSA-N 1 1 324.352 2.252 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@@H]2CO)c1F ZINC001173182543 793622434 /nfs/dbraw/zinc/62/24/34/793622434.db2.gz SVVBDUXRELFUBZ-GHMZBOCLSA-N 1 1 312.341 2.130 20 5 DEBDMO CC[N@H+]([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1COC1 ZINC001173196275 793624447 /nfs/dbraw/zinc/62/44/47/793624447.db2.gz MTQUBNKAPMYCCY-JTQLQIEISA-N 1 1 312.341 2.394 20 5 DEBDMO CC[N@@H+]([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1COC1 ZINC001173196275 793624452 /nfs/dbraw/zinc/62/44/52/793624452.db2.gz MTQUBNKAPMYCCY-JTQLQIEISA-N 1 1 312.341 2.394 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC001173227376 793643018 /nfs/dbraw/zinc/64/30/18/793643018.db2.gz QGRGBWJTGNHQOP-ZDUSSCGKSA-N 1 1 317.389 2.080 20 5 DEBDMO CC(=O)N1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC001173232296 793644080 /nfs/dbraw/zinc/64/40/80/793644080.db2.gz QNXHAVXFBSMUQI-QWHCGFSZSA-N 1 1 305.378 2.078 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2c(cnn2C)C1 ZINC001173231220 793644707 /nfs/dbraw/zinc/64/47/07/793644707.db2.gz KQUQDVCLZAEPKO-LBPRGKRZSA-N 1 1 300.362 2.318 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC001116187792 794942727 /nfs/dbraw/zinc/94/27/27/794942727.db2.gz MBTWEGRPOAPALA-CYBMUJFWSA-N 1 1 318.377 2.363 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c2nonc21 ZINC001116252736 794945775 /nfs/dbraw/zinc/94/57/75/794945775.db2.gz LAIQTECARGSAIO-KCJUWKMLSA-N 1 1 303.322 2.026 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC001116521745 794961852 /nfs/dbraw/zinc/96/18/52/794961852.db2.gz VXQQHYTVDXFQAT-LLVKDONJSA-N 1 1 318.377 2.017 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NC)C(C)(C)C1 ZINC001178861347 795022348 /nfs/dbraw/zinc/02/23/48/795022348.db2.gz VTTWDLRORATEOO-AWEZNQCLSA-N 1 1 320.393 2.097 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@@H](CF)C3)n2)c1 ZINC001119388831 795295842 /nfs/dbraw/zinc/29/58/42/795295842.db2.gz DYEIXBRHGYSFKV-NSHDSACASA-N 1 1 305.313 2.102 20 5 DEBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1C[C@H]1F ZINC001122952141 795826464 /nfs/dbraw/zinc/82/64/64/795826464.db2.gz LEKHKQNAGMOKSP-MELADBBJSA-N 1 1 308.309 2.070 20 5 DEBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1C[C@H]1F ZINC001122952141 795826474 /nfs/dbraw/zinc/82/64/74/795826474.db2.gz LEKHKQNAGMOKSP-MELADBBJSA-N 1 1 308.309 2.070 20 5 DEBDMO Cc1cc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc([N+](=O)[O-])c1 ZINC001123361556 795900985 /nfs/dbraw/zinc/90/09/85/795900985.db2.gz YBVXSUUYVAGUNL-KCPJHIHWSA-N 1 1 318.377 2.365 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001141698777 796685214 /nfs/dbraw/zinc/68/52/14/796685214.db2.gz SOQUFLZZDHCJAE-LBPRGKRZSA-N 1 1 308.382 2.148 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156827451 798089312 /nfs/dbraw/zinc/08/93/12/798089312.db2.gz FDXHLUSUSINTAZ-AWEZNQCLSA-N 1 1 321.377 2.064 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC001157265947 798173314 /nfs/dbraw/zinc/17/33/14/798173314.db2.gz MAHWRDQTLTXAOG-IAQYHMDHSA-N 1 1 313.361 2.068 20 5 DEBDMO COc1cc2ncnc(NC3C[NH+](C(C)C)C3)c2cc1[N+](=O)[O-] ZINC001157532152 798223820 /nfs/dbraw/zinc/22/38/20/798223820.db2.gz UZVMULWUKLHIDR-UHFFFAOYSA-N 1 1 317.349 2.051 20 5 DEBDMO C[N@@H+]1CCO[C@H](CNc2cc3ccccc3c([N+](=O)[O-])c2)C1 ZINC001162693127 799148715 /nfs/dbraw/zinc/14/87/15/799148715.db2.gz BAPKNARQGJJHRT-CQSZACIVSA-N 1 1 301.346 2.491 20 5 DEBDMO C[N@H+]1CCO[C@H](CNc2cc3ccccc3c([N+](=O)[O-])c2)C1 ZINC001162693127 799148721 /nfs/dbraw/zinc/14/87/21/799148721.db2.gz BAPKNARQGJJHRT-CQSZACIVSA-N 1 1 301.346 2.491 20 5 DEBDMO CCCN(CCOC)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001163647479 799394822 /nfs/dbraw/zinc/39/48/22/799394822.db2.gz CYGDDWJSDFZUTA-SOFGYWHQSA-N 1 1 308.382 2.385 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000933173800 800031319 /nfs/dbraw/zinc/03/13/19/800031319.db2.gz CHEGLNMYFGKCME-DGCLKSJQSA-N 1 1 322.361 2.377 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000933173800 800031326 /nfs/dbraw/zinc/03/13/26/800031326.db2.gz CHEGLNMYFGKCME-DGCLKSJQSA-N 1 1 322.361 2.377 20 5 DEBDMO C[C@](CO)([NH2+]Cc1cccc(F)c1N)c1cccc([N+](=O)[O-])c1 ZINC001203373208 800041603 /nfs/dbraw/zinc/04/16/03/800041603.db2.gz NTEHRUTVLMOVEW-MRXNPFEDSA-N 1 1 319.336 2.313 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000934340085 800329347 /nfs/dbraw/zinc/32/93/47/800329347.db2.gz MNZWNAQBPNGRHN-NOLJZWGESA-N 1 1 306.362 2.209 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)CC1(C)C ZINC000935173634 800584698 /nfs/dbraw/zinc/58/46/98/800584698.db2.gz PKNGRMOGYLXPBI-UHFFFAOYSA-N 1 1 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LXDMQZIKGSOCDK-NSHDSACASA-N 1 1 321.352 2.423 20 5 DEBDMO O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001471842010 1060322758 /nfs/dbraw/zinc/32/27/58/1060322758.db2.gz XRNNZQCEAQMJMH-NSHDSACASA-N 1 1 307.354 2.054 20 5 DEBDMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C[N@H+]2C1 ZINC001625754320 1078250957 /nfs/dbraw/zinc/25/09/57/1078250957.db2.gz IRVCLTQGXLNKQY-MDZLAQPJSA-N 1 1 318.377 2.236 20 5 DEBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001626267580 1078252155 /nfs/dbraw/zinc/25/21/55/1078252155.db2.gz KWROTUFIOUQWOR-UHFFFAOYSA-N 1 1 320.393 2.029 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001628817883 1078303981 /nfs/dbraw/zinc/30/39/81/1078303981.db2.gz NOAPUAOIDJAPEV-LBPRGKRZSA-N 1 1 321.352 2.256 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001629715784 1078324383 /nfs/dbraw/zinc/32/43/83/1078324383.db2.gz ZXQSPDAPCQVBJH-IUODEOHRSA-N 1 1 320.393 2.391 20 5 DEBDMO 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DEBDMO COc1cc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)sn1 ZINC001560174126 1075132812 /nfs/dbraw/zinc/13/28/12/1075132812.db2.gz VSEGDIXUEHLSKH-CYBMUJFWSA-N 1 1 323.374 2.225 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001587551349 1076421311 /nfs/dbraw/zinc/42/13/11/1076421311.db2.gz IFHDCHRWFVFYIG-OAHLLOKOSA-N 1 1 323.368 2.455 20 5 DEBDMO C[C@H]1CCCC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590253562 1076600565 /nfs/dbraw/zinc/60/05/65/1076600565.db2.gz GKXYTMQETPFIGH-NSHDSACASA-N 1 1 316.365 2.397 20 5 DEBDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC001591136853 1076712913 /nfs/dbraw/zinc/71/29/13/1076712913.db2.gz LCVNPRULEIZXNF-LBPRGKRZSA-N 1 1 316.365 2.253 20 5 DEBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(CO)cs1 ZINC001621278951 1076963009 /nfs/dbraw/zinc/96/30/09/1076963009.db2.gz IABNXCSAVZXCKD-UHFFFAOYSA-N 1 1 307.375 2.218 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(CO)cs1 ZINC001621278951 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DEBDMO C[C@H](C[S@@](C)=O)N(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601142279 359938872 /nfs/dbraw/zinc/93/88/72/359938872.db2.gz PNMZLJQNNNDFCR-LADRHHBVSA-N 1 1 307.375 2.346 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cn3)C2)cc1 ZINC000601249656 359980654 /nfs/dbraw/zinc/98/06/54/359980654.db2.gz DMFOROSCVGVAHI-CQSZACIVSA-N 1 1 313.361 2.380 20 5 DEBDMO CC[C@@H](C)[NH+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601622823 360091139 /nfs/dbraw/zinc/09/11/39/360091139.db2.gz YQPPYMAQDJPFPW-LLVKDONJSA-N 1 1 309.341 2.290 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287815966 219743237 /nfs/dbraw/zinc/74/32/37/219743237.db2.gz KOESBBOHRLFSRP-ONGXEEELSA-N 1 1 321.406 2.376 20 5 DEBDMO Cc1c(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000189451230 200403926 /nfs/dbraw/zinc/40/39/26/200403926.db2.gz WSXXDDFYPDORDF-ZDUSSCGKSA-N 1 1 321.421 2.180 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602594312 360448338 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O=C1CC2(CN1)CC[NH+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000267625674 206183107 /nfs/dbraw/zinc/18/31/07/206183107.db2.gz FPBIWYIBHPSSRE-UHFFFAOYSA-N 1 1 323.780 2.350 20 5 DEBDMO CO[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000267773731 206273790 /nfs/dbraw/zinc/27/37/90/206273790.db2.gz GSVCGIGYFFOLRF-MFKMUULPSA-N 1 1 318.333 2.427 20 5 DEBDMO CO[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000267773731 206273793 /nfs/dbraw/zinc/27/37/93/206273793.db2.gz GSVCGIGYFFOLRF-MFKMUULPSA-N 1 1 318.333 2.427 20 5 DEBDMO CCOc1ccc(NC(=O)C[N@H+](CC)C2CC2)c([N+](=O)[O-])c1 ZINC000029912075 182580165 /nfs/dbraw/zinc/58/01/65/182580165.db2.gz UJNCLSRMBMJOEW-UHFFFAOYSA-N 1 1 307.350 2.416 20 5 DEBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)C2CC2)c([N+](=O)[O-])c1 ZINC000029912075 182580166 /nfs/dbraw/zinc/58/01/66/182580166.db2.gz UJNCLSRMBMJOEW-UHFFFAOYSA-N 1 1 307.350 2.416 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000456351209 247113539 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Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000154024239 402188208 /nfs/dbraw/zinc/18/82/08/402188208.db2.gz WGWYJVBDAJDGHE-DZGCQCFKSA-N 1 1 317.389 2.460 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000124925575 402203606 /nfs/dbraw/zinc/20/36/06/402203606.db2.gz PJQNEOBBMOFFHJ-BLLLJJGKSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000124925575 402203609 /nfs/dbraw/zinc/20/36/09/402203609.db2.gz PJQNEOBBMOFFHJ-BLLLJJGKSA-N 1 1 321.377 2.077 20 5 DEBDMO C[N@H+]1CCC[C@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000124658277 402190234 /nfs/dbraw/zinc/19/02/34/402190234.db2.gz NXZFPAQFWYKJPC-HNNXBMFYSA-N 1 1 318.421 2.201 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000068338413 402193847 /nfs/dbraw/zinc/19/38/47/402193847.db2.gz ZVNXWSYCJATHDT-XEHSLEBBSA-N 1 1 305.378 2.455 20 5 DEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000068476156 402199703 /nfs/dbraw/zinc/19/97/03/402199703.db2.gz YYEUIGHPMVRZNR-GFCCVEGCSA-N 1 1 321.377 2.423 20 5 DEBDMO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000153677629 402162208 /nfs/dbraw/zinc/16/22/08/402162208.db2.gz XMDKITATKYACRM-HBWSCVEGSA-N 1 1 303.362 2.161 20 5 DEBDMO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000153677697 402162634 /nfs/dbraw/zinc/16/26/34/402162634.db2.gz XMDKITATKYACRM-ATWMFIQVSA-N 1 1 303.362 2.161 20 5 DEBDMO CC[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000125441630 402232436 /nfs/dbraw/zinc/23/24/36/402232436.db2.gz VQGRFXDFDVJVBK-LBPRGKRZSA-N 1 1 303.362 2.216 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000195621176 402273262 /nfs/dbraw/zinc/27/32/62/402273262.db2.gz PTXZAWQDAOETLI-NEPJUHHUSA-N 1 1 320.393 2.027 20 5 DEBDMO C[N@@H+](CCCOc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176207842 402290722 /nfs/dbraw/zinc/29/07/22/402290722.db2.gz UPEOQHLQXYLMIZ-UHFFFAOYSA-N 1 1 304.350 2.192 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)n1 ZINC000176249786 402294140 /nfs/dbraw/zinc/29/41/40/402294140.db2.gz NBZUYQJRNSFDHT-CQSZACIVSA-N 1 1 318.352 2.495 20 5 DEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000184787933 402299508 /nfs/dbraw/zinc/29/95/08/402299508.db2.gz OTYXPKUGYKCZEN-GOEBONIOSA-N 1 1 319.405 2.374 20 5 DEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176922798 402350377 /nfs/dbraw/zinc/35/03/77/402350377.db2.gz HZLGBCRPCQUEMM-GFCCVEGCSA-N 1 1 320.393 2.123 20 5 DEBDMO Cc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177088832 402368726 /nfs/dbraw/zinc/36/87/26/402368726.db2.gz RYNJDMVLAFIABM-DGCLKSJQSA-N 1 1 303.362 2.258 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177105525 402370180 /nfs/dbraw/zinc/37/01/80/402370180.db2.gz KDQPLCZIJVUKFS-SVTFUTLMSA-N 1 1 315.373 2.349 20 5 DEBDMO C[C@@]1(O)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000177986017 402449688 /nfs/dbraw/zinc/44/96/88/402449688.db2.gz OOPYPPAWCANHFO-MRXNPFEDSA-N 1 1 317.345 2.249 20 5 DEBDMO C[C@]1(O)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000177986008 402449796 /nfs/dbraw/zinc/44/97/96/402449796.db2.gz OOPYPPAWCANHFO-INIZCTEOSA-N 1 1 317.345 2.249 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC3(CC3)C2)c1 ZINC000186975057 402474968 /nfs/dbraw/zinc/47/49/68/402474968.db2.gz NGJGWLPZGNFWGW-AWEZNQCLSA-N 1 1 306.362 2.211 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000245931758 402498990 /nfs/dbraw/zinc/49/89/90/402498990.db2.gz PJQNEOBBMOFFHJ-LRDDRELGSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000245931758 402498992 /nfs/dbraw/zinc/49/89/92/402498992.db2.gz PJQNEOBBMOFFHJ-LRDDRELGSA-N 1 1 321.377 2.077 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247279782 402562044 /nfs/dbraw/zinc/56/20/44/402562044.db2.gz SRRPFLHCQMLBAA-UKRRQHHQSA-N 1 1 324.402 2.310 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247279782 402562047 /nfs/dbraw/zinc/56/20/47/402562047.db2.gz SRRPFLHCQMLBAA-UKRRQHHQSA-N 1 1 324.402 2.310 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000173807484 402713243 /nfs/dbraw/zinc/71/32/43/402713243.db2.gz KMVWEWOTNBAFLM-CYBMUJFWSA-N 1 1 320.393 2.102 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000191365012 402663952 /nfs/dbraw/zinc/66/39/52/402663952.db2.gz GFGHMRYCSOBZPN-UHFFFAOYSA-N 1 1 306.366 2.381 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255913955 402698915 /nfs/dbraw/zinc/69/89/15/402698915.db2.gz LDFDZYCQKMGWHQ-JWINAJMKSA-N 1 1 317.389 2.407 20 5 DEBDMO CC(C)COC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000184160612 402823115 /nfs/dbraw/zinc/82/31/15/402823115.db2.gz NMQWSIWGNGEUCP-CYBMUJFWSA-N 1 1 322.365 2.388 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCCCCO ZINC000278953499 402889992 /nfs/dbraw/zinc/88/99/92/402889992.db2.gz VXRCZOZPYAHKRK-UHFFFAOYSA-N 1 1 323.393 2.326 20 5 DEBDMO CCOc1ccc([C@H](C)[NH2+]CCc2n[nH]c(C)n2)cc1[N+](=O)[O-] ZINC000272543414 402951126 /nfs/dbraw/zinc/95/11/26/402951126.db2.gz KVLGMMUIHGVBLP-JTQLQIEISA-N 1 1 319.365 2.313 20 5 DEBDMO CCOc1ccc([C@H](C)[NH2+]CCc2nnc(C)[nH]2)cc1[N+](=O)[O-] ZINC000272543414 402951127 /nfs/dbraw/zinc/95/11/27/402951127.db2.gz KVLGMMUIHGVBLP-JTQLQIEISA-N 1 1 319.365 2.313 20 5 DEBDMO Cc1c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000272369477 402928942 /nfs/dbraw/zinc/92/89/42/402928942.db2.gz AQMUIWNWEALEED-DOMZBBRYSA-N 1 1 303.362 2.069 20 5 DEBDMO C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280372565 402993596 /nfs/dbraw/zinc/99/35/96/402993596.db2.gz VJOZENAJEZAACV-HMHLKJFASA-N 1 1 318.373 2.488 20 5 DEBDMO C[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280372565 402993597 /nfs/dbraw/zinc/99/35/97/402993597.db2.gz VJOZENAJEZAACV-HMHLKJFASA-N 1 1 318.373 2.488 20 5 DEBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000266921257 403000008 /nfs/dbraw/zinc/00/00/08/403000008.db2.gz ILMDVPSECDXYMU-GXTWGEPZSA-N 1 1 308.378 2.455 20 5 DEBDMO CCN1CC[NH+]([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3C)C2)CC1 ZINC000266965370 403004100 /nfs/dbraw/zinc/00/41/00/403004100.db2.gz JIMUVHDCZDWYIJ-MRXNPFEDSA-N 1 1 318.421 2.119 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000266970860 403004288 /nfs/dbraw/zinc/00/42/88/403004288.db2.gz LWYUNQOTONTLTR-OLZOCXBDSA-N 1 1 323.393 2.262 20 5 DEBDMO Cc1c(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280269956 402981969 /nfs/dbraw/zinc/98/19/69/402981969.db2.gz CREZWDGWDDEINK-BLLLJJGKSA-N 1 1 306.362 2.283 20 5 DEBDMO Cc1c(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280269956 402981970 /nfs/dbraw/zinc/98/19/70/402981970.db2.gz CREZWDGWDDEINK-BLLLJJGKSA-N 1 1 306.362 2.283 20 5 DEBDMO COc1cc(CN2CC[N@@H+](C)CC2(C)C)c([N+](=O)[O-])cc1F ZINC000274310252 403044109 /nfs/dbraw/zinc/04/41/09/403044109.db2.gz MHWZEJKOWYYKMQ-UHFFFAOYSA-N 1 1 311.357 2.269 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000268152070 403054753 /nfs/dbraw/zinc/05/47/53/403054753.db2.gz XAFIYPJLCMZACD-HZMBPMFUSA-N 1 1 304.350 2.199 20 5 DEBDMO C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)C[N@H+]1Cc1ccccc1 ZINC000268152322 403054826 /nfs/dbraw/zinc/05/48/26/403054826.db2.gz MXZYFOYZQVBNDD-OCCSQVGLSA-N 1 1 315.377 2.403 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000274527581 403064682 /nfs/dbraw/zinc/06/46/82/403064682.db2.gz YCFYVXHQTVFDQM-AWEZNQCLSA-N 1 1 306.410 2.341 20 5 DEBDMO Cc1nc(NC[C@H](C(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000268478086 403087015 /nfs/dbraw/zinc/08/70/15/403087015.db2.gz KVFDTMMXKOHBTF-CQSZACIVSA-N 1 1 308.382 2.067 20 5 DEBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268518147 403090792 /nfs/dbraw/zinc/09/07/92/403090792.db2.gz WBWUMLWWXKKKOC-CYBMUJFWSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268518147 403090794 /nfs/dbraw/zinc/09/07/94/403090794.db2.gz WBWUMLWWXKKKOC-CYBMUJFWSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268518147 403090797 /nfs/dbraw/zinc/09/07/97/403090797.db2.gz WBWUMLWWXKKKOC-CYBMUJFWSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1nc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000268518147 403090798 /nfs/dbraw/zinc/09/07/98/403090798.db2.gz WBWUMLWWXKKKOC-CYBMUJFWSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000268518147 403090801 /nfs/dbraw/zinc/09/08/01/403090801.db2.gz WBWUMLWWXKKKOC-CYBMUJFWSA-N 1 1 301.350 2.401 20 5 DEBDMO CC[C@H]1CN(c2cccc(C)c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000275473146 403103059 /nfs/dbraw/zinc/10/30/59/403103059.db2.gz OMAKKQYYVVYSRN-KBPBESRZSA-N 1 1 307.394 2.185 20 5 DEBDMO C[C@H](O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000269782533 403165429 /nfs/dbraw/zinc/16/54/29/403165429.db2.gz GWFJXELYQSNUSW-SGMGOOAPSA-N 1 1 321.377 2.157 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)C1CCC1 ZINC000275922311 403132761 /nfs/dbraw/zinc/13/27/61/403132761.db2.gz ZODVUYCSILCUOV-UHFFFAOYSA-N 1 1 321.377 2.079 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)CC(F)(F)F ZINC000282439818 403154194 /nfs/dbraw/zinc/15/41/94/403154194.db2.gz KVVUMSPQLYTBBA-GFCCVEGCSA-N 1 1 306.284 2.382 20 5 DEBDMO CC[N@@H+](CCCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270576810 403202168 /nfs/dbraw/zinc/20/21/68/403202168.db2.gz HVIOXWBEWSYWQX-UHFFFAOYSA-N 1 1 305.334 2.454 20 5 DEBDMO CN(C)C(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283243044 403183650 /nfs/dbraw/zinc/18/36/50/403183650.db2.gz UWXJUVZLKWUFGP-UHFFFAOYSA-N 1 1 323.368 2.424 20 5 DEBDMO CCCCC[N@@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283410517 403195478 /nfs/dbraw/zinc/19/54/78/403195478.db2.gz VSCLORTYCPPAKW-UHFFFAOYSA-N 1 1 323.393 2.408 20 5 DEBDMO COCCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000338949926 403293562 /nfs/dbraw/zinc/29/35/62/403293562.db2.gz CWAPBJAMKJIMJR-CQSZACIVSA-N 1 1 312.341 2.361 20 5 DEBDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000338949926 403293567 /nfs/dbraw/zinc/29/35/67/403293567.db2.gz CWAPBJAMKJIMJR-CQSZACIVSA-N 1 1 312.341 2.361 20 5 DEBDMO CCC[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000270948112 403243778 /nfs/dbraw/zinc/24/37/78/403243778.db2.gz LJEQXNBRLAFYRL-CQSZACIVSA-N 1 1 322.409 2.235 20 5 DEBDMO CC[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1O ZINC000270985749 403249498 /nfs/dbraw/zinc/24/94/98/403249498.db2.gz XTCUKYXBXFLUFY-NHYWBVRUSA-N 1 1 317.345 2.453 20 5 DEBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000271068307 403260327 /nfs/dbraw/zinc/26/03/27/403260327.db2.gz UXLJQEZHPQAYCW-IPYPFGDCSA-N 1 1 308.378 2.312 20 5 DEBDMO C[C@H]1C[N@@H+](CCCNCc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000277885083 403267538 /nfs/dbraw/zinc/26/75/38/403267538.db2.gz OEZMGWOTQRWZRR-AWEZNQCLSA-N 1 1 307.394 2.185 20 5 DEBDMO C[C@H]1CN(CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000277885083 403267539 /nfs/dbraw/zinc/26/75/39/403267539.db2.gz OEZMGWOTQRWZRR-AWEZNQCLSA-N 1 1 307.394 2.185 20 5 DEBDMO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285571853 403330515 /nfs/dbraw/zinc/33/05/15/403330515.db2.gz SLMHMVDBPFXYGC-BBJBPXSTSA-N 1 1 319.405 2.185 20 5 DEBDMO CO[C@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000331287867 403370637 /nfs/dbraw/zinc/37/06/37/403370637.db2.gz ZDOLUGNDNBSHDU-JSGCOSHPSA-N 1 1 321.377 2.341 20 5 DEBDMO CO[C@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000331287867 403370642 /nfs/dbraw/zinc/37/06/42/403370642.db2.gz ZDOLUGNDNBSHDU-JSGCOSHPSA-N 1 1 321.377 2.341 20 5 DEBDMO O=C1CCC(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000331502188 403401016 /nfs/dbraw/zinc/40/10/16/403401016.db2.gz NZBIVUNRNJFMIN-CYBMUJFWSA-N 1 1 318.377 2.235 20 5 DEBDMO CSc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000331513342 403404298 /nfs/dbraw/zinc/40/42/98/403404298.db2.gz NBYDMGZPKZMLFV-NSHDSACASA-N 1 1 321.402 2.283 20 5 DEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000339679844 403413752 /nfs/dbraw/zinc/41/37/52/403413752.db2.gz RSLSZUGKPUMQPN-LBPRGKRZSA-N 1 1 303.362 2.316 20 5 DEBDMO C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1CO ZINC000332242187 403526626 /nfs/dbraw/zinc/52/66/26/403526626.db2.gz RXWYMQHRZUUPPY-YGRLFVJLSA-N 1 1 304.350 2.064 20 5 DEBDMO C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1CO ZINC000332242187 403526628 /nfs/dbraw/zinc/52/66/28/403526628.db2.gz RXWYMQHRZUUPPY-YGRLFVJLSA-N 1 1 304.350 2.064 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000345914552 403531466 /nfs/dbraw/zinc/53/14/66/403531466.db2.gz WTRUOTOZIQSRMC-NWDGAFQWSA-N 1 1 321.377 2.158 20 5 DEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000299025754 403504026 /nfs/dbraw/zinc/50/40/26/403504026.db2.gz ODNQSWQMYYBKFH-VIFPVBQESA-N 1 1 308.363 2.227 20 5 DEBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332205209 403514600 /nfs/dbraw/zinc/51/46/00/403514600.db2.gz IOUGENFKVBOXJB-HFAKWTLXSA-N 1 1 318.377 2.452 20 5 DEBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332205209 403514604 /nfs/dbraw/zinc/51/46/04/403514604.db2.gz IOUGENFKVBOXJB-HFAKWTLXSA-N 1 1 318.377 2.452 20 5 DEBDMO Cc1cc(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000340378079 403596885 /nfs/dbraw/zinc/59/68/85/403596885.db2.gz WMCKBIQZADOVSS-LBPRGKRZSA-N 1 1 306.366 2.461 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000346687310 403597840 /nfs/dbraw/zinc/59/78/40/403597840.db2.gz LVKXDODUTZPSRO-NDPMZMCLSA-N 1 1 303.362 2.242 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345986439 403560716 /nfs/dbraw/zinc/56/07/16/403560716.db2.gz POZANUICBCHCMU-OLZOCXBDSA-N 1 1 305.378 2.078 20 5 DEBDMO Cc1c(CC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000343420336 403581130 /nfs/dbraw/zinc/58/11/30/403581130.db2.gz AJKUEPAOCGRXRO-TZMCWYRMSA-N 1 1 305.378 2.045 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000294157562 403661640 /nfs/dbraw/zinc/66/16/40/403661640.db2.gz NUBSXOZFVOKQKC-KRWDZBQOSA-N 1 1 317.389 2.082 20 5 DEBDMO COCC[N@@H+]1[C@H](C)CN(c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000301757707 403674231 /nfs/dbraw/zinc/67/42/31/403674231.db2.gz AVOLPMSNXJYOBW-OKILXGFUSA-N 1 1 307.394 2.449 20 5 DEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000301761478 403675408 /nfs/dbraw/zinc/67/54/08/403675408.db2.gz CYVBQXNKAZETHZ-UHFFFAOYSA-N 1 1 307.394 2.389 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000294313163 403700737 /nfs/dbraw/zinc/70/07/37/403700737.db2.gz WLJYQWUYZXPJDR-KRWDZBQOSA-N 1 1 317.389 2.082 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000302860327 403735618 /nfs/dbraw/zinc/73/56/18/403735618.db2.gz OTXKMMABQCNAIJ-OKILXGFUSA-N 1 1 307.394 2.449 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000302860327 403735623 /nfs/dbraw/zinc/73/56/23/403735623.db2.gz OTXKMMABQCNAIJ-OKILXGFUSA-N 1 1 307.394 2.449 20 5 DEBDMO CCc1nn(C)c(N[C@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000368680615 403821178 /nfs/dbraw/zinc/82/11/78/403821178.db2.gz OECTVZRMVAUEBZ-NSHDSACASA-N 1 1 307.398 2.320 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341205971 403832843 /nfs/dbraw/zinc/83/28/43/403832843.db2.gz RYTPKGNYOBWTGS-MNOVXSKESA-N 1 1 322.365 2.208 20 5 DEBDMO CN(C)C(=O)O[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295163713 403780646 /nfs/dbraw/zinc/78/06/46/403780646.db2.gz SMZGISQIMZVCFG-HZRUHFOJSA-N 1 1 319.361 2.381 20 5 DEBDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295163713 403780652 /nfs/dbraw/zinc/78/06/52/403780652.db2.gz SMZGISQIMZVCFG-HZRUHFOJSA-N 1 1 319.361 2.381 20 5 DEBDMO C[C@@H]1C[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000336846975 403920755 /nfs/dbraw/zinc/92/07/55/403920755.db2.gz CFUMWQLBCALUCD-RKDXNWHRSA-N 1 1 307.379 2.494 20 5 DEBDMO C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347987230 403995508 /nfs/dbraw/zinc/99/55/08/403995508.db2.gz DGKSAOVGZRJQED-QJPTWQEYSA-N 1 1 323.368 2.388 20 5 DEBDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000337422261 404012298 /nfs/dbraw/zinc/01/22/98/404012298.db2.gz BRPDGAHQRHITKP-BZNIZROVSA-N 1 1 322.361 2.234 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000290003091 404015831 /nfs/dbraw/zinc/01/58/31/404015831.db2.gz ZFRUNFFNFCGLLY-CKEIUWERSA-N 1 1 319.405 2.451 20 5 DEBDMO COc1ccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1OC ZINC000341454203 403975979 /nfs/dbraw/zinc/97/59/79/403975979.db2.gz LXDBTXCWSWYAGQ-SNVBAGLBSA-N 1 1 320.349 2.196 20 5 DEBDMO C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C ZINC000351960746 404037235 /nfs/dbraw/zinc/03/72/35/404037235.db2.gz WBVQHIQUJMLMDT-KGLIPLIRSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000351960746 404037236 /nfs/dbraw/zinc/03/72/36/404037236.db2.gz WBVQHIQUJMLMDT-KGLIPLIRSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000351960746 404037237 /nfs/dbraw/zinc/03/72/37/404037237.db2.gz WBVQHIQUJMLMDT-KGLIPLIRSA-N 1 1 307.394 2.388 20 5 DEBDMO CC(C)S(=O)(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000290281953 404109543 /nfs/dbraw/zinc/10/95/43/404109543.db2.gz ZEXPMCFWJAYSLI-UHFFFAOYSA-N 1 1 320.798 2.161 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344409818 404115889 /nfs/dbraw/zinc/11/58/89/404115889.db2.gz BWZZQLKVWXWJQM-BETUJISGSA-N 1 1 305.378 2.078 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000341801131 404181730 /nfs/dbraw/zinc/18/17/30/404181730.db2.gz SRXXWRIHYZUDEZ-VXGBXAGGSA-N 1 1 323.368 2.390 20 5 DEBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C1CC1 ZINC000290497430 404193543 /nfs/dbraw/zinc/19/35/43/404193543.db2.gz AMGONVKJRQAUNW-XJKSGUPXSA-N 1 1 320.389 2.455 20 5 DEBDMO C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000412239023 404205130 /nfs/dbraw/zinc/20/51/30/404205130.db2.gz BDXKDAURTGSTFV-DANNLKNASA-N 1 1 317.389 2.297 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337820827 404260717 /nfs/dbraw/zinc/26/07/17/404260717.db2.gz UGRDERNPNZQKPA-KBPBESRZSA-N 1 1 305.378 2.320 20 5 DEBDMO COC[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000352221793 404227541 /nfs/dbraw/zinc/22/75/41/404227541.db2.gz KRNVRXJTYWGBTN-NSHDSACASA-N 1 1 318.333 2.113 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000344719710 404330018 /nfs/dbraw/zinc/33/00/18/404330018.db2.gz ORWCEOBGBMVKOM-HNNXBMFYSA-N 1 1 319.405 2.374 20 5 DEBDMO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352407179 404348228 /nfs/dbraw/zinc/34/82/28/404348228.db2.gz SANDJEHIHMQKIJ-ZDUSSCGKSA-N 1 1 321.377 2.094 20 5 DEBDMO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352407179 404348238 /nfs/dbraw/zinc/34/82/38/404348238.db2.gz SANDJEHIHMQKIJ-ZDUSSCGKSA-N 1 1 321.377 2.094 20 5 DEBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)NCc1ccco1 ZINC000350242633 404351276 /nfs/dbraw/zinc/35/12/76/404351276.db2.gz FXJQKFNIELHEAK-SNVBAGLBSA-N 1 1 321.308 2.121 20 5 DEBDMO C[N@@H+](C[C@H](O)Cn1cnc2cc3ccccc3cc2c1=O)C1CC1 ZINC000290790547 404313470 /nfs/dbraw/zinc/31/34/70/404313470.db2.gz OGWQZUILEQEMKH-INIZCTEOSA-N 1 1 323.396 2.005 20 5 DEBDMO C[C@H](NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296790956 404323863 /nfs/dbraw/zinc/32/38/63/404323863.db2.gz KWIBBKGAFVPDPK-XQQFMLRXSA-N 1 1 320.393 2.390 20 5 DEBDMO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355738243 404364473 /nfs/dbraw/zinc/36/44/73/404364473.db2.gz IPIPCOQJYHLHBW-AWEZNQCLSA-N 1 1 318.377 2.018 20 5 DEBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355738243 404364477 /nfs/dbraw/zinc/36/44/77/404364477.db2.gz IPIPCOQJYHLHBW-AWEZNQCLSA-N 1 1 318.377 2.018 20 5 DEBDMO CCCCNC(=O)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352708299 404565699 /nfs/dbraw/zinc/56/56/99/404565699.db2.gz VVGQUFUYRDCUGU-UHFFFAOYSA-N 1 1 321.377 2.096 20 5 DEBDMO CCCCNC(=O)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352708299 404565703 /nfs/dbraw/zinc/56/57/03/404565703.db2.gz VVGQUFUYRDCUGU-UHFFFAOYSA-N 1 1 321.377 2.096 20 5 DEBDMO Cc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000297651315 404577711 /nfs/dbraw/zinc/57/77/11/404577711.db2.gz YMQOEGBEQCUFCF-JSGCOSHPSA-N 1 1 317.393 2.146 20 5 DEBDMO C[NH+](C)Cc1cnc(CNCc2ccccc2[N+](=O)[O-])s1 ZINC000352810494 404640753 /nfs/dbraw/zinc/64/07/53/404640753.db2.gz CTLSRULONHJZIZ-UHFFFAOYSA-N 1 1 306.391 2.403 20 5 DEBDMO CN1CCN(CCOc2cccc([N+](=O)[O-])c2)c2ccc[nH+]c21 ZINC000342540260 404641103 /nfs/dbraw/zinc/64/11/03/404641103.db2.gz PLSNZHVEUZFYRR-UHFFFAOYSA-N 1 1 314.345 2.325 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000291984911 404613960 /nfs/dbraw/zinc/61/39/60/404613960.db2.gz UBULICDWRKTSIO-GFCCVEGCSA-N 1 1 323.393 2.452 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000356612553 404620608 /nfs/dbraw/zinc/62/06/08/404620608.db2.gz FJMBQRIIKMWQSO-LBPRGKRZSA-N 1 1 322.409 2.487 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000351604098 404666994 /nfs/dbraw/zinc/66/69/94/404666994.db2.gz DCTVFHADJHFEBM-VHSXEESVSA-N 1 1 310.329 2.338 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)n1 ZINC000365837193 404730202 /nfs/dbraw/zinc/73/02/02/404730202.db2.gz KLLYTPIGZFACTF-RRFJBIMHSA-N 1 1 322.409 2.197 20 5 DEBDMO CC1(C)[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000357775606 404742709 /nfs/dbraw/zinc/74/27/09/404742709.db2.gz BUIUPGLJVXGECS-QLFBSQMISA-N 1 1 315.373 2.288 20 5 DEBDMO COc1cc(C[NH+]2CC([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000366246937 404778846 /nfs/dbraw/zinc/77/88/46/404778846.db2.gz KWMJKVVLFXSJOM-NSHDSACASA-N 1 1 322.361 2.080 20 5 DEBDMO CC[C@H](O)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353391256 404820642 /nfs/dbraw/zinc/82/06/42/404820642.db2.gz BPZTWOQUIHSXGK-GJZGRUSLSA-N 1 1 318.377 2.168 20 5 DEBDMO Cc1ccc(C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)cn1 ZINC000360999125 404872953 /nfs/dbraw/zinc/87/29/53/404872953.db2.gz MXNWPRPNFPASIT-UHFFFAOYSA-N 1 1 315.377 2.411 20 5 DEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C1CC(O)C1 ZINC000353495744 404847226 /nfs/dbraw/zinc/84/72/26/404847226.db2.gz OPEMKZGQBHYSBV-UHEGKEBESA-N 1 1 318.333 2.161 20 5 DEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C1CC(O)C1 ZINC000353495744 404847228 /nfs/dbraw/zinc/84/72/28/404847228.db2.gz OPEMKZGQBHYSBV-UHEGKEBESA-N 1 1 318.333 2.161 20 5 DEBDMO CNc1c(C(=O)NCC[N@@H+]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000360923843 404853048 /nfs/dbraw/zinc/85/30/48/404853048.db2.gz FIWHJTVEMPRTEN-UHFFFAOYSA-N 1 1 318.377 2.018 20 5 DEBDMO O=C1C[C@@]2(CN1)CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000353747355 404954601 /nfs/dbraw/zinc/95/46/01/404954601.db2.gz AAMXDLJGAYVQLW-GPCFVJJQSA-N 1 1 315.373 2.210 20 5 DEBDMO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000361083158 404908857 /nfs/dbraw/zinc/90/88/57/404908857.db2.gz XCQFTDXHNBILKP-MNOVXSKESA-N 1 1 322.365 2.061 20 5 DEBDMO CNc1c(C(=O)N2CCC[N@H+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000361209644 404974908 /nfs/dbraw/zinc/97/49/08/404974908.db2.gz HMNLATXDTJGLTI-UHFFFAOYSA-N 1 1 320.393 2.193 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000390274131 405045230 /nfs/dbraw/zinc/04/52/30/405045230.db2.gz YQEUOWIVERQHTA-UHFFFAOYSA-N 1 1 308.382 2.098 20 5 DEBDMO CC[N@@H+](C[C@H](C)OC)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361561679 405131964 /nfs/dbraw/zinc/13/19/64/405131964.db2.gz BPMLSRIVBZHWKI-WFASDCNBSA-N 1 1 321.377 2.057 20 5 DEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354383283 405186281 /nfs/dbraw/zinc/18/62/81/405186281.db2.gz BXDWJTBEPUERDO-DZGCQCFKSA-N 1 1 319.405 2.469 20 5 DEBDMO O=C(CC[N@@H+]1CC[C@@H](CCCO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000452115454 405177255 /nfs/dbraw/zinc/17/72/55/405177255.db2.gz BQYLBVIFLICMEU-CYBMUJFWSA-N 1 1 321.377 2.018 20 5 DEBDMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC(O)C1 ZINC000425432606 405289708 /nfs/dbraw/zinc/28/97/08/405289708.db2.gz LCXVDAVMMSFWSK-UHFFFAOYSA-N 1 1 315.167 2.312 20 5 DEBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC(O)C1 ZINC000425432606 405289711 /nfs/dbraw/zinc/28/97/11/405289711.db2.gz LCXVDAVMMSFWSK-UHFFFAOYSA-N 1 1 315.167 2.312 20 5 DEBDMO CN(C)c1ncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1C ZINC000419751113 405264430 /nfs/dbraw/zinc/26/44/30/405264430.db2.gz UCCLCEUNKRTZIA-UHFFFAOYSA-N 1 1 317.393 2.419 20 5 DEBDMO CC(C)[C@@]1(CO)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000368075057 405227029 /nfs/dbraw/zinc/22/70/29/405227029.db2.gz PRWSWVRTLJHWON-INIZCTEOSA-N 1 1 308.378 2.314 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1CCO ZINC000426219803 405344877 /nfs/dbraw/zinc/34/48/77/405344877.db2.gz ZUYHABJJRLPRPG-CYBMUJFWSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000426221055 405345825 /nfs/dbraw/zinc/34/58/25/405345825.db2.gz WMLZMOVISBOCKB-ZDUSSCGKSA-N 1 1 321.377 2.079 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000455332501 405398283 /nfs/dbraw/zinc/39/82/83/405398283.db2.gz LVGGMACQNGIRNM-HNNXBMFYSA-N 1 1 322.340 2.293 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1CCC[N@H+]1CCCO ZINC000449385082 405535755 /nfs/dbraw/zinc/53/57/55/405535755.db2.gz DOOHVLKOMUQASX-NKPXIPJASA-N 1 1 319.405 2.044 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1CCC[N@@H+]1CCCO ZINC000449385082 405535756 /nfs/dbraw/zinc/53/57/56/405535756.db2.gz DOOHVLKOMUQASX-NKPXIPJASA-N 1 1 319.405 2.044 20 5 DEBDMO C[C@@H]([NH3+])C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000430963414 405549347 /nfs/dbraw/zinc/54/93/47/405549347.db2.gz UVKYHYLHRAUODC-SNVBAGLBSA-N 1 1 304.350 2.295 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493803339 405566309 /nfs/dbraw/zinc/56/63/09/405566309.db2.gz OFVANRCAZUEICG-YYRKOSNBSA-N 1 1 303.362 2.161 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421747755 405626155 /nfs/dbraw/zinc/62/61/55/405626155.db2.gz JHIYLKUULJGAHG-CYBMUJFWSA-N 1 1 305.378 2.283 20 5 DEBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000449495208 405581314 /nfs/dbraw/zinc/58/13/14/405581314.db2.gz HMTXKQIYQZUPMN-BXUZGUMPSA-N 1 1 324.377 2.469 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493836592 405583231 /nfs/dbraw/zinc/58/32/31/405583231.db2.gz MVGXDIMJLRKBOZ-WHLNPGIBSA-N 1 1 303.362 2.161 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000457106172 405702059 /nfs/dbraw/zinc/70/20/59/405702059.db2.gz DAXOYNSIEGAOMX-CYBMUJFWSA-N 1 1 305.378 2.458 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000432942113 405838510 /nfs/dbraw/zinc/83/85/10/405838510.db2.gz CEFBKBLAHQNLGC-UHFFFAOYSA-N 1 1 307.394 2.450 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC000432942113 405838516 /nfs/dbraw/zinc/83/85/16/405838516.db2.gz CEFBKBLAHQNLGC-UHFFFAOYSA-N 1 1 307.394 2.450 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000568788852 292367837 /nfs/dbraw/zinc/36/78/37/292367837.db2.gz VFWMTZYNYXMBCX-LLVKDONJSA-N 1 1 316.361 2.148 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000423676877 405904709 /nfs/dbraw/zinc/90/47/09/405904709.db2.gz GXPJUECVHRUVDE-MRXNPFEDSA-N 1 1 323.368 2.294 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000561373412 405923111 /nfs/dbraw/zinc/92/31/11/405923111.db2.gz CPLPUYAAZHCMBB-CQSZACIVSA-N 1 1 305.378 2.080 20 5 DEBDMO COC(C)(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000533345287 406137636 /nfs/dbraw/zinc/13/76/36/406137636.db2.gz MJLSKFCOHXWAPW-LLVKDONJSA-N 1 1 309.366 2.279 20 5 DEBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000486985664 406195789 /nfs/dbraw/zinc/19/57/89/406195789.db2.gz WDSBLBQQRHXVJJ-WFASDCNBSA-N 1 1 317.389 2.284 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000521717687 406363479 /nfs/dbraw/zinc/36/34/79/406363479.db2.gz LHGORKTVSAZPTF-KGLIPLIRSA-N 1 1 319.405 2.499 20 5 DEBDMO Cc1c(CC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000489310717 406390943 /nfs/dbraw/zinc/39/09/43/406390943.db2.gz CJFLOAFIWBUKJG-INIZCTEOSA-N 1 1 319.405 2.244 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000489886056 406437572 /nfs/dbraw/zinc/43/75/72/406437572.db2.gz LTHYZJBDAATOBJ-GFCCVEGCSA-N 1 1 302.334 2.365 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCCC[C@H]3O)C2)nc1 ZINC000571687553 406552660 /nfs/dbraw/zinc/55/26/60/406552660.db2.gz IYORSSPHCPULTP-GZBFAFLISA-N 1 1 320.393 2.027 20 5 DEBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000548453606 406518151 /nfs/dbraw/zinc/51/81/51/406518151.db2.gz WQXVAFHIYWBPRB-HNNXBMFYSA-N 1 1 319.405 2.470 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491564593 406624602 /nfs/dbraw/zinc/62/46/02/406624602.db2.gz XUCBWQVVESHZTH-RNZFLTOJSA-N 1 1 321.352 2.205 20 5 DEBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491576049 406627096 /nfs/dbraw/zinc/62/70/96/406627096.db2.gz LSCBQOHNTAJCGQ-FCIQKIPGSA-N 1 1 315.373 2.209 20 5 DEBDMO C[N@@H+](CCOC[C@@H]1CCCO1)CCc1ccccc1[N+](=O)[O-] ZINC000551995398 406667920 /nfs/dbraw/zinc/66/79/20/406667920.db2.gz YFEHMNAMIOAEDB-HNNXBMFYSA-N 1 1 308.378 2.265 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000134490040 196396692 /nfs/dbraw/zinc/39/66/92/196396692.db2.gz YVGRAVXEQPXPBB-KOLCDFICSA-N 1 1 307.325 2.089 20 5 DEBDMO Cc1cc(CNc2c([N+](=O)[O-])ncn2C)cc(N2CCCC2)[nH+]1 ZINC000291181591 222201631 /nfs/dbraw/zinc/20/16/31/222201631.db2.gz RXDPRFUJJVUGPA-UHFFFAOYSA-N 1 1 316.365 2.244 20 5 DEBDMO COc1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000291340409 222324918 /nfs/dbraw/zinc/32/49/18/222324918.db2.gz VSVRMNWTQFRXFY-CYBMUJFWSA-N 1 1 302.334 2.247 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000291340409 222324923 /nfs/dbraw/zinc/32/49/23/222324923.db2.gz VSVRMNWTQFRXFY-CYBMUJFWSA-N 1 1 302.334 2.247 20 5 DEBDMO C[C@H](CNc1ccc([N+](=O)[O-])c2ncccc12)[NH+]1CCOCC1 ZINC000413051488 228268801 /nfs/dbraw/zinc/26/88/01/228268801.db2.gz LDEPBYOAYYGHID-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H]1C[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2F)CCCO1 ZINC000413269104 228299446 /nfs/dbraw/zinc/29/94/46/228299446.db2.gz RRXNZGJBQOSUMG-NSHDSACASA-N 1 1 312.345 2.042 20 5 DEBDMO C[C@H]1CCC[C@H](CO)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299719380 229358676 /nfs/dbraw/zinc/35/86/76/229358676.db2.gz SAPBYRORAWXENX-QWHCGFSZSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@@H]1C[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000422624985 230157377 /nfs/dbraw/zinc/15/73/77/230157377.db2.gz AGUISUWXPPPBLA-HZSPNIEDSA-N 1 1 307.394 2.279 20 5 DEBDMO C[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422625624 230158087 /nfs/dbraw/zinc/15/80/87/230158087.db2.gz CAWYXEWKIYOTJX-MCIONIFRSA-N 1 1 307.394 2.279 20 5 DEBDMO C[C@@H]1C[C@@H](C)N(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422625624 230158093 /nfs/dbraw/zinc/15/80/93/230158093.db2.gz CAWYXEWKIYOTJX-MCIONIFRSA-N 1 1 307.394 2.279 20 5 DEBDMO CCc1nc(NCCNc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000339974880 424945308 /nfs/dbraw/zinc/94/53/08/424945308.db2.gz AKRXKYAGQKDGAK-UHFFFAOYSA-N 1 1 301.350 2.780 20 5 DEBDMO Cc1nc(NC[C@H]2CCCC[N@@H+]2CC(C)C)ncc1[N+](=O)[O-] ZINC000450396118 425072414 /nfs/dbraw/zinc/07/24/14/425072414.db2.gz WJKSXLIGKNQTQA-CYBMUJFWSA-N 1 1 307.398 2.616 20 5 DEBDMO Cc1nc(NC[C@@H]2CCCC[N@@H+]2CC(C)C)ncc1[N+](=O)[O-] ZINC000450396119 425072672 /nfs/dbraw/zinc/07/26/72/425072672.db2.gz WJKSXLIGKNQTQA-ZDUSSCGKSA-N 1 1 307.398 2.616 20 5 DEBDMO C[C@@H]1[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CCC[N@H+]1C ZINC000450443748 425073447 /nfs/dbraw/zinc/07/34/47/425073447.db2.gz VXNOJAUDPNXRCB-ABAIWWIYSA-N 1 1 300.362 3.038 20 5 DEBDMO C[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270923805 268723468 /nfs/dbraw/zinc/72/34/68/268723468.db2.gz OMJDJYQDJZRRPF-UHFFFAOYSA-N 1 1 305.378 2.080 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425520599 269118483 /nfs/dbraw/zinc/11/84/83/269118483.db2.gz YGXRRJWBEQZKPC-AWEZNQCLSA-N 1 1 317.349 2.032 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425520599 269118484 /nfs/dbraw/zinc/11/84/84/269118484.db2.gz YGXRRJWBEQZKPC-AWEZNQCLSA-N 1 1 317.349 2.032 20 5 DEBDMO CC[NH+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429910683 269121928 /nfs/dbraw/zinc/12/19/28/269121928.db2.gz UDAYHVPCNDQAHV-UHFFFAOYSA-N 1 1 305.378 2.037 20 5 DEBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430208176 269126496 /nfs/dbraw/zinc/12/64/96/269126496.db2.gz ARIYDNBLJUKUSM-GFCCVEGCSA-N 1 1 308.334 2.131 20 5 DEBDMO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430217856 269126822 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312.366 2.440 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c(F)c1 ZINC000332213279 275035296 /nfs/dbraw/zinc/03/52/96/275035296.db2.gz JNYHLKLMARZXDK-ZIAGYGMSSA-N 1 1 312.366 2.440 20 5 DEBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@H](C)OC ZINC000361576461 276085510 /nfs/dbraw/zinc/08/55/10/276085510.db2.gz HVIKYGCZRITKTN-LBPRGKRZSA-N 1 1 309.366 2.199 20 5 DEBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@H](C)OC ZINC000361576461 276085512 /nfs/dbraw/zinc/08/55/12/276085512.db2.gz HVIKYGCZRITKTN-LBPRGKRZSA-N 1 1 309.366 2.199 20 5 DEBDMO C[N@H+]1CCC[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129600590 277074742 /nfs/dbraw/zinc/07/47/42/277074742.db2.gz YTPAIWSTDMBHMN-HNNXBMFYSA-N 1 1 303.362 2.180 20 5 DEBDMO C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000180929782 278281209 /nfs/dbraw/zinc/28/12/09/278281209.db2.gz XBGVTAFRVJUZTD-NEPJUHHUSA-N 1 1 320.393 2.027 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000573797099 326092717 /nfs/dbraw/zinc/09/27/17/326092717.db2.gz HGDRSUJMTPJPKT-CYBMUJFWSA-N 1 1 306.366 2.461 20 5 DEBDMO CN1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000574479297 326158247 /nfs/dbraw/zinc/15/82/47/326158247.db2.gz RYOSRBUGGDOGMK-ILXRZTDVSA-N 1 1 321.425 2.206 20 5 DEBDMO CN1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000574479299 326158370 /nfs/dbraw/zinc/15/83/70/326158370.db2.gz RYOSRBUGGDOGMK-KFWWJZLASA-N 1 1 321.425 2.206 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+](C2CC2)C1 ZINC000575134136 326222382 /nfs/dbraw/zinc/22/23/82/326222382.db2.gz YMPZWZRAXMZFNW-JTQLQIEISA-N 1 1 309.391 2.213 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+](C2CC2)C1 ZINC000575134136 326222385 /nfs/dbraw/zinc/22/23/85/326222385.db2.gz YMPZWZRAXMZFNW-JTQLQIEISA-N 1 1 309.391 2.213 20 5 DEBDMO CSc1ccc(C(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000299280356 534183664 /nfs/dbraw/zinc/18/36/64/534183664.db2.gz RIRKEFOMFWEKOZ-UHFFFAOYSA-N 1 1 309.391 2.141 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000338448154 521279080 /nfs/dbraw/zinc/27/90/80/521279080.db2.gz SNTBUHMAAWWNBQ-BXUZGUMPSA-N 1 1 321.377 2.206 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000246196541 524899592 /nfs/dbraw/zinc/89/95/92/524899592.db2.gz PXCMOELMYHRTEC-CZUORRHYSA-N 1 1 319.405 2.326 20 5 DEBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000331319845 527985282 /nfs/dbraw/zinc/98/52/82/527985282.db2.gz KUDLKIXXBOXLDA-GFCCVEGCSA-N 1 1 308.382 2.021 20 5 DEBDMO CC(C)(CS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000358300524 535183146 /nfs/dbraw/zinc/18/31/46/535183146.db2.gz PFBNMMKYRXRQDR-UHFFFAOYSA-N 1 1 320.798 2.161 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000358777123 535222678 /nfs/dbraw/zinc/22/26/78/535222678.db2.gz XDOZJHHWRNWEMU-UHFFFAOYSA-N 1 1 323.393 2.374 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000456391520 536135966 /nfs/dbraw/zinc/13/59/66/536135966.db2.gz WKHPSTNOAMXZPC-ZDUSSCGKSA-N 1 1 323.368 2.219 20 5 DEBDMO C[N@H+]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000493288364 536398639 /nfs/dbraw/zinc/39/86/39/536398639.db2.gz NHUBDGUZDRIBIP-FNORWQNLSA-N 1 1 321.352 2.300 20 5 DEBDMO C[N@H+]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000492279840 536398869 /nfs/dbraw/zinc/39/88/69/536398869.db2.gz ULCFZPYGTQUQBT-FNORWQNLSA-N 1 1 321.352 2.300 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001327814804 1148649452 /nfs/dbraw/zinc/64/94/52/1148649452.db2.gz PBVYIDIVXZQDJY-NSHDSACASA-N 1 1 321.381 2.030 20 5 DEBDMO O=C([O-])CCC[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000833773025 605225731 /nfs/dbraw/zinc/22/57/31/605225731.db2.gz GHGYLDDRWCVQKD-UHFFFAOYSA-N 1 1 321.377 2.014 20 5 DEBDMO CCO[C@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000932969888 624008943 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Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C)CC2)cc1Cl ZINC000836200464 650062955 /nfs/dbraw/zinc/06/29/55/650062955.db2.gz DXYHBIOAIDFIJA-UHFFFAOYSA-N 1 1 311.769 2.334 20 5 DEBDMO Cc1c(NC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000929220990 633615512 /nfs/dbraw/zinc/61/55/12/633615512.db2.gz HZMUVSIHSRDIES-LBPRGKRZSA-N 1 1 306.366 2.461 20 5 DEBDMO CCCn1cc[nH+]c1CCCN(C)c1c([N+](=O)[O-])cnn1C ZINC000893487678 633873448 /nfs/dbraw/zinc/87/34/48/633873448.db2.gz KZBGEKDGWHRERJ-UHFFFAOYSA-N 1 1 306.370 2.004 20 5 DEBDMO CC[C@]1(CO)CCC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000893717321 635995562 /nfs/dbraw/zinc/99/55/62/635995562.db2.gz PEMCEWPSVFDAQI-INIZCTEOSA-N 1 1 324.377 2.294 20 5 DEBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000893717321 635995565 /nfs/dbraw/zinc/99/55/65/635995565.db2.gz PEMCEWPSVFDAQI-INIZCTEOSA-N 1 1 324.377 2.294 20 5 DEBDMO C[N@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@@H]2C1 ZINC000893941586 636070545 /nfs/dbraw/zinc/07/05/45/636070545.db2.gz VGDHDZIMPUMBBY-BXKDBHETSA-N 1 1 313.304 2.337 20 5 DEBDMO C[C@H](NC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000894016470 636093081 /nfs/dbraw/zinc/09/30/81/636093081.db2.gz SMSKQWMFQAGRLE-STQMWFEESA-N 1 1 320.393 2.391 20 5 DEBDMO Cc1c(CNC(=O)NCC[N@@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000894397239 636998339 /nfs/dbraw/zinc/99/83/39/636998339.db2.gz SHFTVBVHEVYFEA-LBPRGKRZSA-N 1 1 320.393 2.187 20 5 DEBDMO CC(C)(C)[C@]1(C[NH3+])CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923414726 637167945 /nfs/dbraw/zinc/16/79/45/637167945.db2.gz NIKWTBBROKPIAU-WBVHZDCISA-N 1 1 321.421 2.325 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCO[C@H]3CCCCO3)nc2c1 ZINC000894795860 637212161 /nfs/dbraw/zinc/21/21/61/637212161.db2.gz XHPCLZUTBJEMFN-HNNXBMFYSA-N 1 1 321.333 2.369 20 5 DEBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000928569822 637725272 /nfs/dbraw/zinc/72/52/72/637725272.db2.gz YJGPKCLBRSCLMN-NSHDSACASA-N 1 1 305.359 2.243 20 5 DEBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000928569822 637725277 /nfs/dbraw/zinc/72/52/77/637725277.db2.gz YJGPKCLBRSCLMN-NSHDSACASA-N 1 1 305.359 2.243 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@@H]2C2(O)CC2)c1 ZINC000839140100 637802853 /nfs/dbraw/zinc/80/28/53/637802853.db2.gz NPUDVHZAGRYIPF-HUUCEWRRSA-N 1 1 306.362 2.008 20 5 DEBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CN(c2ccncn2)C1 ZINC000895782282 638200207 /nfs/dbraw/zinc/20/02/07/638200207.db2.gz MZYQDKVTCKTXOV-UHFFFAOYSA-N 1 1 319.752 2.017 20 5 DEBDMO CC[C@H]1C[C@H](C)C[N@@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000744443210 638221120 /nfs/dbraw/zinc/22/11/20/638221120.db2.gz IFWCKQWUCBSNBI-QWRGUYRKSA-N 1 1 317.345 2.269 20 5 DEBDMO CC[C@H]1C[C@H](C)C[N@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000744443210 638221128 /nfs/dbraw/zinc/22/11/28/638221128.db2.gz IFWCKQWUCBSNBI-QWRGUYRKSA-N 1 1 317.345 2.269 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCNc1ccc(C)c[nH+]1 ZINC000896454846 638521546 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Cc1nn(C[N@H+]2CC[C@H](C3CC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000763331789 640531203 /nfs/dbraw/zinc/53/12/03/640531203.db2.gz IWEIMDQZEFDNGW-LBPRGKRZSA-N 1 1 301.350 2.337 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000764401613 640632272 /nfs/dbraw/zinc/63/22/72/640632272.db2.gz HVENGDLYEZUMSX-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000764401613 640632276 /nfs/dbraw/zinc/63/22/76/640632276.db2.gz HVENGDLYEZUMSX-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnn(CCF)c1 ZINC000897736473 640925757 /nfs/dbraw/zinc/92/57/57/640925757.db2.gz FPLKIKQELNABNM-UHFFFAOYSA-N 1 1 322.340 2.449 20 5 DEBDMO CC(C)(C)C[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774878981 641976167 /nfs/dbraw/zinc/97/61/67/641976167.db2.gz FDMZCPMOUBWTDO-UHFFFAOYSA-N 1 1 311.338 2.343 20 5 DEBDMO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775055139 642001002 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ZINC000843191387 650922913 /nfs/dbraw/zinc/92/29/13/650922913.db2.gz GSTABFISBRZANW-SECBINFHSA-N 1 1 318.333 2.390 20 5 DEBDMO CC(C)C[N@H+](C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839976110 645544266 /nfs/dbraw/zinc/54/42/66/645544266.db2.gz IPADXEWOIPPHRY-OAHLLOKOSA-N 1 1 307.350 2.077 20 5 DEBDMO CC(C)C[N@@H+](C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839976110 645544269 /nfs/dbraw/zinc/54/42/69/645544269.db2.gz IPADXEWOIPPHRY-OAHLLOKOSA-N 1 1 307.350 2.077 20 5 DEBDMO C[C@H]1C[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000840017384 645705850 /nfs/dbraw/zinc/70/58/50/645705850.db2.gz YSIAPDBRTXPYGJ-OZVIIMIRSA-N 1 1 319.361 2.077 20 5 DEBDMO Cc1ccc(N(C)CCC[N@H+](C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000808133237 646037312 /nfs/dbraw/zinc/03/73/12/646037312.db2.gz NWHYWXXZSJPLBA-UHFFFAOYSA-N 1 1 308.426 2.223 20 5 DEBDMO Cc1ccc(N(C)CCCN(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000808133237 646037318 /nfs/dbraw/zinc/03/73/18/646037318.db2.gz NWHYWXXZSJPLBA-UHFFFAOYSA-N 1 1 308.426 2.223 20 5 DEBDMO CNc1ccc(C(=O)O[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000810837519 646430497 /nfs/dbraw/zinc/43/04/97/646430497.db2.gz IJRNOWCZCQGXQB-OLZOCXBDSA-N 1 1 319.361 2.420 20 5 DEBDMO CNc1ccc(C(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000810837518 646430761 /nfs/dbraw/zinc/43/07/61/646430761.db2.gz IJRNOWCZCQGXQB-CHWSQXEVSA-N 1 1 319.361 2.420 20 5 DEBDMO COc1cc(C(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000810837595 646431147 /nfs/dbraw/zinc/43/11/47/646431147.db2.gz NNLDTFMDDDAHEN-QWHCGFSZSA-N 1 1 320.345 2.387 20 5 DEBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812848982 646705148 /nfs/dbraw/zinc/70/51/48/646705148.db2.gz FQRYRRGUXYZKJQ-XJKSGUPXSA-N 1 1 318.377 2.235 20 5 DEBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929478366 646836511 /nfs/dbraw/zinc/83/65/11/646836511.db2.gz AYVHSKBFSHCZTO-NEPJUHHUSA-N 1 1 301.387 2.031 20 5 DEBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929478366 646836519 /nfs/dbraw/zinc/83/65/19/646836519.db2.gz AYVHSKBFSHCZTO-NEPJUHHUSA-N 1 1 301.387 2.031 20 5 DEBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731455097 647480692 /nfs/dbraw/zinc/48/06/92/647480692.db2.gz CFRXJPRCHOJTLG-UHFFFAOYSA-N 1 1 320.324 2.484 20 5 DEBDMO C[C@@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000818957254 647549789 /nfs/dbraw/zinc/54/97/89/647549789.db2.gz UJKUTWVPAKUBNR-JKIFEVAISA-N 1 1 321.421 2.338 20 5 DEBDMO C[C@@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000818957254 647549793 /nfs/dbraw/zinc/54/97/93/647549793.db2.gz UJKUTWVPAKUBNR-JKIFEVAISA-N 1 1 321.421 2.338 20 5 DEBDMO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819134668 647590740 /nfs/dbraw/zinc/59/07/40/647590740.db2.gz KSUAIIZPLJLNNQ-LZWOXQAQSA-N 1 1 307.394 2.091 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819318372 647632992 /nfs/dbraw/zinc/63/29/92/647632992.db2.gz ZDOIXPDDQPWOAI-XJKSGUPXSA-N 1 1 309.410 2.338 20 5 DEBDMO CCCCN(C)C[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819318372 647632995 /nfs/dbraw/zinc/63/29/95/647632995.db2.gz ZDOIXPDDQPWOAI-XJKSGUPXSA-N 1 1 309.410 2.338 20 5 DEBDMO CCCC[N@H+](C)C[C@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819317369 647633264 /nfs/dbraw/zinc/63/32/64/647633264.db2.gz OTQICEQARAHTCO-XJKSGUPXSA-N 1 1 309.410 2.338 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819317369 647633265 /nfs/dbraw/zinc/63/32/65/647633265.db2.gz OTQICEQARAHTCO-XJKSGUPXSA-N 1 1 309.410 2.338 20 5 DEBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000819904518 647737941 /nfs/dbraw/zinc/73/79/41/647737941.db2.gz SGHYPCPRBDCKNK-AWEZNQCLSA-N 1 1 306.366 2.030 20 5 DEBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000819904518 647737945 /nfs/dbraw/zinc/73/79/45/647737945.db2.gz SGHYPCPRBDCKNK-AWEZNQCLSA-N 1 1 306.366 2.030 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000820265578 647814351 /nfs/dbraw/zinc/81/43/51/647814351.db2.gz JGRREYGKPMUSDY-WCQYABFASA-N 1 1 305.378 2.424 20 5 DEBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc2ccccn21 ZINC000917082669 647963870 /nfs/dbraw/zinc/96/38/70/647963870.db2.gz XBAMRMSVGCMPTC-NWDGAFQWSA-N 1 1 301.350 2.281 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000823132985 648358751 /nfs/dbraw/zinc/35/87/51/648358751.db2.gz JZTPTBCCCPCFDA-HRCADAONSA-N 1 1 317.389 2.251 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827244787 649000106 /nfs/dbraw/zinc/00/01/06/649000106.db2.gz DLTNRLBLWBDGMI-HIFRSBDPSA-N 1 1 317.389 2.378 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000827631650 649059404 /nfs/dbraw/zinc/05/94/04/649059404.db2.gz CLFVXWYWPXQWKB-NSHDSACASA-N 1 1 309.391 2.141 20 5 DEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000828615277 649202815 /nfs/dbraw/zinc/20/28/15/649202815.db2.gz PIPBVXQQYVWEBS-UHFFFAOYSA-N 1 1 320.324 2.449 20 5 DEBDMO COC[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000832745797 649740861 /nfs/dbraw/zinc/74/08/61/649740861.db2.gz MHJHFUKHRSRASB-BBRMVZONSA-N 1 1 308.378 2.377 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000834377666 649788925 /nfs/dbraw/zinc/78/89/25/649788925.db2.gz GPTYGLNUOHEJBG-ZACQAIPSSA-N 1 1 318.373 2.272 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000834377666 649788927 /nfs/dbraw/zinc/78/89/27/649788927.db2.gz GPTYGLNUOHEJBG-ZACQAIPSSA-N 1 1 318.373 2.272 20 5 DEBDMO O=C(CC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000844456956 651131565 /nfs/dbraw/zinc/13/15/65/651131565.db2.gz SYHHGEQEFOBHFA-AOOOYVTPSA-N 1 1 311.288 2.120 20 5 DEBDMO C[NH+]1CCC(ONC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846647294 651342811 /nfs/dbraw/zinc/34/28/11/651342811.db2.gz LODNWOPBDTZPPG-UHFFFAOYSA-N 1 1 321.377 2.014 20 5 DEBDMO COC[C@@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000112961950 651620872 /nfs/dbraw/zinc/62/08/72/651620872.db2.gz XUQHMGQJANLGRG-GFCCVEGCSA-N 1 1 304.350 2.260 20 5 DEBDMO CO[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000851843460 652256286 /nfs/dbraw/zinc/25/62/86/652256286.db2.gz HTUWENDCDDZUHL-YRGRVCCFSA-N 1 1 306.366 2.044 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccccn1 ZINC000852037783 652320443 /nfs/dbraw/zinc/32/04/43/652320443.db2.gz ABTLYCMWQGYNGL-MRXNPFEDSA-N 1 1 301.346 2.198 20 5 DEBDMO COC(=O)/C=C\c1ccc(NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000858822604 685602148 /nfs/dbraw/zinc/60/21/48/685602148.db2.gz HKTAULQGQPUESS-WOLRVDTOSA-N 1 1 319.361 2.287 20 5 DEBDMO C[N@@H+](CC1CCOCC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000124651371 684137252 /nfs/dbraw/zinc/13/72/52/684137252.db2.gz QUHZKNKFUNYWPX-UHFFFAOYSA-N 1 1 304.350 2.260 20 5 DEBDMO C[N@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865679329 687299354 /nfs/dbraw/zinc/29/93/54/687299354.db2.gz PBOTXDUWPWNAPB-CYBMUJFWSA-N 1 1 301.293 2.011 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865701214 687305937 /nfs/dbraw/zinc/30/59/37/687305937.db2.gz BZJSDYDEPQEZBP-CYBMUJFWSA-N 1 1 323.368 2.267 20 5 DEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865998680 687404575 /nfs/dbraw/zinc/40/45/75/687404575.db2.gz RAJUGIREHFEMAJ-LBPRGKRZSA-N 1 1 321.377 2.055 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000866206942 687491351 /nfs/dbraw/zinc/49/13/51/687491351.db2.gz GUOQGMGOEZVIJH-QMTHXVAHSA-N 1 1 301.350 2.002 20 5 DEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866206380 687491470 /nfs/dbraw/zinc/49/14/70/687491470.db2.gz DAXHLVXHMKZAEK-DOMZBBRYSA-N 1 1 303.362 2.328 20 5 DEBDMO CC(=O)c1ccc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866208309 687492331 /nfs/dbraw/zinc/49/23/31/687492331.db2.gz SNGCLAMHFXTACJ-KGLIPLIRSA-N 1 1 303.362 2.328 20 5 DEBDMO C[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000867943459 687843240 /nfs/dbraw/zinc/84/32/40/687843240.db2.gz WGQUQIDGONIBQX-WQGACYEGSA-N 1 1 305.378 2.416 20 5 DEBDMO C[C@@H]1[C@H](C)SCCN1C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867944535 687844819 /nfs/dbraw/zinc/84/48/19/687844819.db2.gz FCOLSLXRROUWHR-JRPNMDOOSA-N 1 1 323.418 2.121 20 5 DEBDMO CC[C@]1(C)CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867951308 687847066 /nfs/dbraw/zinc/84/70/66/687847066.db2.gz HFPFQGVHBOFHHR-HZPDHXFCSA-N 1 1 305.378 2.417 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868217193 687950758 /nfs/dbraw/zinc/95/07/58/687950758.db2.gz POCGVFMWFIJEAA-CYBMUJFWSA-N 1 1 322.409 2.433 20 5 DEBDMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000870789152 688654432 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DEBDMO O=C(NCC1C[NH+](CCC2CCCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662377 688976075 /nfs/dbraw/zinc/97/60/75/688976075.db2.gz CWHNNBBJDYIVJN-HZPDHXFCSA-N 1 1 323.437 2.060 20 5 DEBDMO CC(C)CN(CC1CC[NH+](C)CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000872743481 689081417 /nfs/dbraw/zinc/08/14/17/689081417.db2.gz DUHAXHOLXYAWQT-UHFFFAOYSA-N 1 1 309.414 2.049 20 5 DEBDMO CC[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000872772246 689089102 /nfs/dbraw/zinc/08/91/02/689089102.db2.gz RLTXAPAVNYSTDY-CYBMUJFWSA-N 1 1 309.366 2.126 20 5 DEBDMO CC[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000872772246 689089104 /nfs/dbraw/zinc/08/91/04/689089104.db2.gz RLTXAPAVNYSTDY-CYBMUJFWSA-N 1 1 309.366 2.126 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1ncnc2sc([N+](=O)[O-])cc21 ZINC000872781022 689091901 /nfs/dbraw/zinc/09/19/01/689091901.db2.gz PCPXJACHZNPYRL-GHMZBOCLSA-N 1 1 319.390 2.272 20 5 DEBDMO C[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000874827254 689501572 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323.437 2.105 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877154236 690032285 /nfs/dbraw/zinc/03/22/85/690032285.db2.gz NSBXVKNFEJFJDS-NSHDSACASA-N 1 1 304.350 2.310 20 5 DEBDMO CCC(=O)N1CCC2(C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001035629847 690135472 /nfs/dbraw/zinc/13/54/72/690135472.db2.gz JYNZUYVXCWZVDS-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO CC(C)(O)C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000878325258 690379336 /nfs/dbraw/zinc/37/93/36/690379336.db2.gz GJNDLCKEMDSAGG-OAHLLOKOSA-N 1 1 308.378 2.081 20 5 DEBDMO NC(=O)[C@H](C1CC1)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CC1 ZINC000879487085 690652132 /nfs/dbraw/zinc/65/21/32/690652132.db2.gz UINBTWSYRLTMAY-HNNXBMFYSA-N 1 1 321.352 2.210 20 5 DEBDMO CC(C)(O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000879963224 690768315 /nfs/dbraw/zinc/76/83/15/690768315.db2.gz YTVRBMGWXNKECI-LBPRGKRZSA-N 1 1 321.377 2.016 20 5 DEBDMO CC(C)(O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000879963224 690768317 /nfs/dbraw/zinc/76/83/17/690768317.db2.gz YTVRBMGWXNKECI-LBPRGKRZSA-N 1 1 321.377 2.016 20 5 DEBDMO CC(C)(O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000880148173 690824083 /nfs/dbraw/zinc/82/40/83/690824083.db2.gz SMLJHWWJJPHBFL-SNVBAGLBSA-N 1 1 304.350 2.064 20 5 DEBDMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000880148173 690824087 /nfs/dbraw/zinc/82/40/87/690824087.db2.gz SMLJHWWJJPHBFL-SNVBAGLBSA-N 1 1 304.350 2.064 20 5 DEBDMO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000880425262 690895163 /nfs/dbraw/zinc/89/51/63/690895163.db2.gz DVQHOJZAOGZFAT-KGLIPLIRSA-N 1 1 314.769 2.484 20 5 DEBDMO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000880425262 690895165 /nfs/dbraw/zinc/89/51/65/690895165.db2.gz DVQHOJZAOGZFAT-KGLIPLIRSA-N 1 1 314.769 2.484 20 5 DEBDMO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000882480171 691290646 /nfs/dbraw/zinc/29/06/46/691290646.db2.gz OULKSZUACDQLHL-DGCLKSJQSA-N 1 1 323.418 2.286 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000882480171 691290650 /nfs/dbraw/zinc/29/06/50/691290650.db2.gz OULKSZUACDQLHL-DGCLKSJQSA-N 1 1 323.418 2.286 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCc1cccnc1[N+](=O)[O-] ZINC000884504712 691753451 /nfs/dbraw/zinc/75/34/51/691753451.db2.gz OXJXRNCQWCEUOG-ZDUSSCGKSA-N 1 1 307.350 2.298 20 5 DEBDMO CCCCNC(=O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885931408 691965651 /nfs/dbraw/zinc/96/56/51/691965651.db2.gz UHIAPAHVRLYXRW-UHFFFAOYSA-N 1 1 320.393 2.118 20 5 DEBDMO CC(C)([NH2+]Cc1cccnc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000886076938 691998905 /nfs/dbraw/zinc/99/89/05/691998905.db2.gz UDNWHWPCGHELHQ-UHFFFAOYSA-N 1 1 314.345 2.497 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886562404 692110788 /nfs/dbraw/zinc/11/07/88/692110788.db2.gz YYWYLLYPCXEMJV-UTUOFQBUSA-N 1 1 321.402 2.217 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1 ZINC000886797551 692193892 /nfs/dbraw/zinc/19/38/92/692193892.db2.gz WIABIPPZQDMJMW-ZDUSSCGKSA-N 1 1 318.295 2.384 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886821882 692200394 /nfs/dbraw/zinc/20/03/94/692200394.db2.gz IZAVFBZCAOHXRU-IMJJTQAJSA-N 1 1 306.362 2.129 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCCF ZINC000887139851 692290599 /nfs/dbraw/zinc/29/05/99/692290599.db2.gz HALGIJZCLQTWQP-UHFFFAOYSA-N 1 1 313.329 2.223 20 5 DEBDMO COc1c(O)ccc(C[NH2+][C@@H]2CCCC[C@@H]2N(C)C)c1[N+](=O)[O-] ZINC001333669065 1150076409 /nfs/dbraw/zinc/07/64/09/1150076409.db2.gz USXAXXKKXJNTPK-OLZOCXBDSA-N 1 1 323.393 2.271 20 5 DEBDMO C[N@H+]1C[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC001472028072 1151854710 /nfs/dbraw/zinc/85/47/10/1151854710.db2.gz ZGISEYYUZIRUGY-LLVKDONJSA-N 1 1 311.769 2.318 20 5 DEBDMO O=[N+]([O-])c1cnc(N2CCc3[nH+]ccn3CC2)c2ccccc21 ZINC001167182850 776753896 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IVHHCXJWCSXSBF-KCXAZCMYSA-N 1 1 318.373 2.032 20 5 DEBDMO COC(=O)c1cccc(C[N@@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169038915 785013473 /nfs/dbraw/zinc/01/34/73/785013473.db2.gz LHDMEKNWKVJHRE-HIFRSBDPSA-N 1 1 306.362 2.350 20 5 DEBDMO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169044760 785016257 /nfs/dbraw/zinc/01/62/57/785016257.db2.gz IVHHCXJWCSXSBF-DAXOMENPSA-N 1 1 318.373 2.032 20 5 DEBDMO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169044760 785016265 /nfs/dbraw/zinc/01/62/65/785016265.db2.gz IVHHCXJWCSXSBF-DAXOMENPSA-N 1 1 318.373 2.032 20 5 DEBDMO O=C([C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)N1CCCCC1 ZINC001169021902 785017032 /nfs/dbraw/zinc/01/70/32/785017032.db2.gz AZSNHMSAXURYHP-OAGGEKHMSA-N 1 1 323.437 2.156 20 5 DEBDMO CN(CC[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1ccccc1 ZINC001169046731 785020195 /nfs/dbraw/zinc/02/01/95/785020195.db2.gz MJBUTWIJQXTCHN-DLBZAZTESA-N 1 1 305.422 2.496 20 5 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ZINC001558526338 1075097746 /nfs/dbraw/zinc/09/77/46/1075097746.db2.gz LHZNTMJRTRENHX-CYBMUJFWSA-N 1 1 309.341 2.194 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C(C)(C)C1 ZINC001558528796 1075097992 /nfs/dbraw/zinc/09/79/92/1075097992.db2.gz XAEKERGFQRYTDZ-CYBMUJFWSA-N 1 1 323.368 2.123 20 5 DEBDMO C[C@H]1C[C@@H](C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC001586033691 1076385948 /nfs/dbraw/zinc/38/59/48/1076385948.db2.gz BYIYIOGZCYCBMG-UWVGGRQHSA-N 1 1 323.305 2.139 20 5 DEBDMO CC1=C[C@H](C)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590157538 1076575659 /nfs/dbraw/zinc/57/56/59/1076575659.db2.gz OUBBSTBEBOPAAL-JTQLQIEISA-N 1 1 314.349 2.173 20 5 DEBDMO C[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001591126114 1076709110 /nfs/dbraw/zinc/70/91/10/1076709110.db2.gz PLIISMCACAQCSG-UHFFFAOYSA-N 1 1 302.338 2.149 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC001608182480 1077604332 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RHQNLWPFZVBOFZ-LBPRGKRZSA-N 1 1 317.305 2.324 20 5 DEBDMO Cc1noc(C[C@@H]2CCC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)n1 ZINC001656289419 1080075987 /nfs/dbraw/zinc/07/59/87/1080075987.db2.gz UYILBQBJLKKPPU-NSHDSACASA-N 1 1 321.337 2.037 20 5 DEBDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)n1 ZINC001656289419 1080075995 /nfs/dbraw/zinc/07/59/95/1080075995.db2.gz UYILBQBJLKKPPU-NSHDSACASA-N 1 1 321.337 2.037 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1ccoc1)Cc1cccc([N+](=O)[O-])c1 ZINC001663354257 1080733495 /nfs/dbraw/zinc/73/34/95/1080733495.db2.gz DPSLUVBOULBAEZ-UHFFFAOYSA-N 1 1 317.345 2.440 20 5 DEBDMO CC/C(C)=C\C(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001480862203 1081923605 /nfs/dbraw/zinc/92/36/05/1081923605.db2.gz VGHIEMSHHPIPKO-RAXLEYEMSA-N 1 1 305.378 2.499 20 5 DEBDMO CC/C(C)=C\C(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001480862203 1081923608 /nfs/dbraw/zinc/92/36/08/1081923608.db2.gz VGHIEMSHHPIPKO-RAXLEYEMSA-N 1 1 305.378 2.499 20 5 DEBDMO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C ZINC000866218733 1093603275 /nfs/dbraw/zinc/60/32/75/1093603275.db2.gz WYXFCXRWOGHCGW-CQSZACIVSA-N 1 1 308.338 2.279 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[NH+]2CCN(C)CC2)c1 ZINC001319564715 1140617520 /nfs/dbraw/zinc/61/75/20/1140617520.db2.gz RGFPLHKZWMHMEP-UHFFFAOYSA-N 1 1 306.410 2.341 20 5 DEBDMO CCOc1cc([N+](=O)[O-])c(-c2nnc(C[NH+](C)C)o2)cc1OC ZINC001322339755 1141532161 /nfs/dbraw/zinc/53/21/61/1141532161.db2.gz MBECHHQTFIAFNM-UHFFFAOYSA-N 1 1 322.321 2.114 20 5 DEBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccn2)no1 ZINC001248209835 1141728966 /nfs/dbraw/zinc/72/89/66/1141728966.db2.gz ZSADHWHMPZDBFO-GFCCVEGCSA-N 1 1 311.301 2.282 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001336746405 1142556924 /nfs/dbraw/zinc/55/69/24/1142556924.db2.gz VIOZJOIEFKKJLH-LBPRGKRZSA-N 1 1 316.361 2.290 20 5 DEBDMO CCC(=O)N1CC2(C1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001253497536 1142876887 /nfs/dbraw/zinc/87/68/87/1142876887.db2.gz ZOOPGKPIICFQDA-UHFFFAOYSA-N 1 1 303.362 2.039 20 5 DEBDMO O=C1N(C[N@@H+]2CC[C@H](CF)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC001353199825 1151815786 /nfs/dbraw/zinc/81/57/86/1151815786.db2.gz VLPKIMSSGBTEPX-GFCCVEGCSA-N 1 1 322.340 2.086 20 5 DEBDMO O=C1N(C[N@H+]2CC[C@H](CF)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC001353199825 1151815788 /nfs/dbraw/zinc/81/57/88/1151815788.db2.gz VLPKIMSSGBTEPX-GFCCVEGCSA-N 1 1 322.340 2.086 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001339818448 1143116696 /nfs/dbraw/zinc/11/66/96/1143116696.db2.gz LUBAQRBNAZRQGF-UHFFFAOYSA-N 1 1 320.393 2.352 20 5 DEBDMO C[C@@H]1[C@H](CO)CC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475119 1143130431 /nfs/dbraw/zinc/13/04/31/1143130431.db2.gz ALPBFVFLFUMOPW-KGLIPLIRSA-N 1 1 319.405 2.266 20 5 DEBDMO C[C@H]1C[C@@H](O)CC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479738 1143136690 /nfs/dbraw/zinc/13/66/90/1143136690.db2.gz JZBPKWKGDTXMHX-GUYCJALGSA-N 1 1 319.405 2.409 20 5 DEBDMO CCOC(=O)[C@@H]1CC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254560087 1143248208 /nfs/dbraw/zinc/24/82/08/1143248208.db2.gz OZXZVNOAYDSEFY-TZMCWYRMSA-N 1 1 306.362 2.411 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001254558243 1143248808 /nfs/dbraw/zinc/24/88/08/1143248808.db2.gz DWZHJMAAZLZYCR-ZFWWWQNUSA-N 1 1 315.377 2.454 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001254559329 1143249264 /nfs/dbraw/zinc/24/92/64/1143249264.db2.gz XAWZUUUXOITLIW-DAXOMENPSA-N 1 1 317.389 2.221 20 5 DEBDMO CC(=O)N1CC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC001254566292 1143249793 /nfs/dbraw/zinc/24/97/93/1143249793.db2.gz SFQHHGXFDQFWQH-STQMWFEESA-N 1 1 305.378 2.078 20 5 DEBDMO CC(=O)N1CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC001254566292 1143249812 /nfs/dbraw/zinc/24/98/12/1143249812.db2.gz SFQHHGXFDQFWQH-STQMWFEESA-N 1 1 305.378 2.078 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ncn(C)c2C1 ZINC001254570904 1143255084 /nfs/dbraw/zinc/25/50/84/1143255084.db2.gz QQDOUJLYOVBGMW-GFCCVEGCSA-N 1 1 300.362 2.318 20 5 DEBDMO COC(=O)C[N@@H+](C1CCCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602842 1143277279 /nfs/dbraw/zinc/27/72/79/1143277279.db2.gz JFLGDRNKPNRSFL-MRXNPFEDSA-N 1 1 318.373 2.480 20 5 DEBDMO C[N@@H+](C1CC1)[C@@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254607704 1143278252 /nfs/dbraw/zinc/27/82/52/1143278252.db2.gz MFCSYYMPPYSZRX-SJORKVTESA-N 1 1 301.390 2.231 20 5 DEBDMO CN(C1CC1)[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254607704 1143278269 /nfs/dbraw/zinc/27/82/69/1143278269.db2.gz MFCSYYMPPYSZRX-SJORKVTESA-N 1 1 301.390 2.231 20 5 DEBDMO CN(C1CC1)[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254607704 1143278283 /nfs/dbraw/zinc/27/82/83/1143278283.db2.gz MFCSYYMPPYSZRX-SJORKVTESA-N 1 1 301.390 2.231 20 5 DEBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1[NH2+]CCc2occc21 ZINC001341463071 1143608480 /nfs/dbraw/zinc/60/84/80/1143608480.db2.gz BCTWZQWYBNSYJV-OAHLLOKOSA-N 1 1 315.329 2.033 20 5 DEBDMO COCC[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256095029 1143829781 /nfs/dbraw/zinc/82/97/81/1143829781.db2.gz VSPZVMFMDVXMRW-UHFFFAOYSA-N 1 1 323.393 2.150 20 5 DEBDMO Nc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC001262688176 1144327694 /nfs/dbraw/zinc/32/76/94/1144327694.db2.gz KEDYBWSRFJPHMY-RISCZKNCSA-N 1 1 317.393 2.025 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001262710041 1144329442 /nfs/dbraw/zinc/32/94/42/1144329442.db2.gz CTDLCMDAESXRDV-NSHDSACASA-N 1 1 301.350 2.434 20 5 DEBDMO C[N@@H+](CCCNC(=O)c1cc[nH]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265854187 1144747683 /nfs/dbraw/zinc/74/76/83/1144747683.db2.gz OBNMCIBHRCMIRL-UHFFFAOYSA-N 1 1 316.361 2.175 20 5 DEBDMO COC(=O)C1=CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001308865660 1147488422 /nfs/dbraw/zinc/48/84/22/1147488422.db2.gz SURSYVNTELJZMU-JTQLQIEISA-N 1 1 317.301 2.087 20 5 DEBDMO COC(=O)C1=CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001308865661 1147488795 /nfs/dbraw/zinc/48/87/95/1147488795.db2.gz SURSYVNTELJZMU-SNVBAGLBSA-N 1 1 317.301 2.087 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001325938981 1148022001 /nfs/dbraw/zinc/02/20/01/1148022001.db2.gz PODHEFIZMRFVJP-LBPRGKRZSA-N 1 1 322.409 2.487 20 5 DEBDMO C[C@H](C[NH+]1CCOCC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000076776460 185040016 /nfs/dbraw/zinc/04/00/16/185040016.db2.gz NDAOWDQZFRGFJP-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000088055795 185237898 /nfs/dbraw/zinc/23/78/98/185237898.db2.gz RTIHVVBDNFMLDE-VHSXEESVSA-N 1 1 311.769 2.461 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCSCC1 ZINC000089981489 185273880 /nfs/dbraw/zinc/27/38/80/185273880.db2.gz KFYZYOIGFVWCRQ-NSHDSACASA-N 1 1 309.391 2.361 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCSCC1 ZINC000089981489 185273881 /nfs/dbraw/zinc/27/38/81/185273881.db2.gz KFYZYOIGFVWCRQ-NSHDSACASA-N 1 1 309.391 2.361 20 5 DEBDMO Cc1nn(C)c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000301776058 282271808 /nfs/dbraw/zinc/27/18/08/282271808.db2.gz LILMOLNRAOOZLO-GXTWGEPZSA-N 1 1 319.409 2.090 20 5 DEBDMO CCC1(CC)CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000190412943 282320524 /nfs/dbraw/zinc/32/05/24/282320524.db2.gz NLBFECVZEYZNCX-HNNXBMFYSA-N 1 1 324.425 2.445 20 5 DEBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCC[C@H]1O ZINC000444688112 530023275 /nfs/dbraw/zinc/02/32/75/530023275.db2.gz IJVOFADYVBMVPX-ZIAGYGMSSA-N 1 1 304.350 2.206 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930524 530059774 /nfs/dbraw/zinc/05/97/74/530059774.db2.gz IXDNUOFWNQREFL-DLBZAZTESA-N 1 1 319.405 2.046 20 5 DEBDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000413668627 530069396 /nfs/dbraw/zinc/06/93/96/530069396.db2.gz KDPIOXKEOQXFLD-LSDHHAIUSA-N 1 1 317.389 2.251 20 5 DEBDMO Cc1c(CC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000272734176 210138366 /nfs/dbraw/zinc/13/83/66/210138366.db2.gz LWCBKADVAUVHJC-CYBMUJFWSA-N 1 1 317.389 2.212 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1ccccc1 ZINC000170847096 197835776 /nfs/dbraw/zinc/83/57/76/197835776.db2.gz BMERKPQXPGMYNX-OAHLLOKOSA-N 1 1 302.330 2.427 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1CCOCC1 ZINC000155919614 186123473 /nfs/dbraw/zinc/12/34/73/186123473.db2.gz PTQMXVSPRBHSQR-LBPRGKRZSA-N 1 1 321.377 2.280 20 5 DEBDMO Cc1noc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595491289 358463696 /nfs/dbraw/zinc/46/36/96/358463696.db2.gz COKUIHYYLGATRZ-MRXNPFEDSA-N 1 1 317.345 2.027 20 5 DEBDMO Cc1noc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595491289 358463700 /nfs/dbraw/zinc/46/37/00/358463700.db2.gz COKUIHYYLGATRZ-MRXNPFEDSA-N 1 1 317.345 2.027 20 5 DEBDMO C[C@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000171902782 198004819 /nfs/dbraw/zinc/00/48/19/198004819.db2.gz GBUKYSQZPLVKIU-SWLSCSKDSA-N 1 1 318.377 2.145 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000072858620 191241780 /nfs/dbraw/zinc/24/17/80/191241780.db2.gz IPOCPENLJSFCMS-CYBMUJFWSA-N 1 1 307.394 2.377 20 5 DEBDMO CCN1CC[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000595524718 358473920 /nfs/dbraw/zinc/47/39/20/358473920.db2.gz OCHNUGVHZZSDBP-ZBFHGGJFSA-N 1 1 317.389 2.395 20 5 DEBDMO COc1ccc(OCC[N@@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000173716408 198244286 /nfs/dbraw/zinc/24/42/86/198244286.db2.gz GQQUGBPXTWYITE-ZDUSSCGKSA-N 1 1 324.377 2.341 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000617753259 363252697 /nfs/dbraw/zinc/25/26/97/363252697.db2.gz UOLYSQIOTSZKFK-CHWSQXEVSA-N 1 1 305.378 2.251 20 5 DEBDMO Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000046862105 354293937 /nfs/dbraw/zinc/29/39/37/354293937.db2.gz XSUUPLLVLBOWPE-GFCCVEGCSA-N 1 1 305.378 2.365 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000047405032 354315529 /nfs/dbraw/zinc/31/55/29/354315529.db2.gz IMXLYYNVSVNWLX-JTQLQIEISA-N 1 1 309.395 2.448 20 5 DEBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000048024101 354339504 /nfs/dbraw/zinc/33/95/04/354339504.db2.gz OWYAQURTWRMVGC-UHFFFAOYSA-N 1 1 308.334 2.072 20 5 DEBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000048024101 354339508 /nfs/dbraw/zinc/33/95/08/354339508.db2.gz OWYAQURTWRMVGC-UHFFFAOYSA-N 1 1 308.334 2.072 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CC2CC2)CC1 ZINC000055668791 354506252 /nfs/dbraw/zinc/50/62/52/354506252.db2.gz FQZQTJCSOQFEIL-UHFFFAOYSA-N 1 1 323.780 2.416 20 5 DEBDMO NC(=O)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000055903388 354514585 /nfs/dbraw/zinc/51/45/85/354514585.db2.gz AOKSYOPBWRAEJV-UHFFFAOYSA-N 1 1 321.377 2.094 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000068777697 354831540 /nfs/dbraw/zinc/83/15/40/354831540.db2.gz VFLNTHWTODFTDG-UHFFFAOYSA-N 1 1 305.378 2.460 20 5 DEBDMO CC(C)[N@H+]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069081064 354846481 /nfs/dbraw/zinc/84/64/81/354846481.db2.gz MTRGCAWBLBWWEG-UHFFFAOYSA-N 1 1 307.394 2.390 20 5 DEBDMO CC(C)[N@H+]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000069081039 354846542 /nfs/dbraw/zinc/84/65/42/354846542.db2.gz HOFCPPREEBCYGF-UHFFFAOYSA-N 1 1 307.394 2.390 20 5 DEBDMO C[C@H]1C[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC000072769680 354919237 /nfs/dbraw/zinc/91/92/37/354919237.db2.gz UEAQNUHUEQUUNO-UWVGGRQHSA-N 1 1 309.391 2.020 20 5 DEBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076269574 355137857 /nfs/dbraw/zinc/13/78/57/355137857.db2.gz NIXRRSYHBQPLEU-NSHDSACASA-N 1 1 308.386 2.034 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1c[nH]cn1 ZINC000595593523 358494750 /nfs/dbraw/zinc/49/47/50/358494750.db2.gz HLOLVMLDTGAGDS-UHFFFAOYSA-N 1 1 317.349 2.087 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1c[nH]cn1 ZINC000595593523 358494752 /nfs/dbraw/zinc/49/47/52/358494752.db2.gz HLOLVMLDTGAGDS-UHFFFAOYSA-N 1 1 317.349 2.087 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cnc[nH]1 ZINC000595593523 358494755 /nfs/dbraw/zinc/49/47/55/358494755.db2.gz HLOLVMLDTGAGDS-UHFFFAOYSA-N 1 1 317.349 2.087 20 5 DEBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000078455210 355262032 /nfs/dbraw/zinc/26/20/32/355262032.db2.gz JYDVQPAMSIDFRZ-CYBMUJFWSA-N 1 1 320.393 2.004 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](CCO)C3)nc2c1 ZINC000083174072 355463927 /nfs/dbraw/zinc/46/39/27/355463927.db2.gz UJEOKUKJBAVHAF-NSHDSACASA-N 1 1 305.334 2.330 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](CCO)C3)nc2c1 ZINC000083174072 355463929 /nfs/dbraw/zinc/46/39/29/355463929.db2.gz UJEOKUKJBAVHAF-NSHDSACASA-N 1 1 305.334 2.330 20 5 DEBDMO CCO[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000156073730 355950814 /nfs/dbraw/zinc/95/08/14/355950814.db2.gz OKKLXYYCMJZBHT-CYBMUJFWSA-N 1 1 321.377 2.424 20 5 DEBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000182620686 356134892 /nfs/dbraw/zinc/13/48/92/356134892.db2.gz SQEHUHZAKDSPCK-LLVKDONJSA-N 1 1 310.350 2.377 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000080771291 192189023 /nfs/dbraw/zinc/18/90/23/192189023.db2.gz VNYODAOVPCMNEV-FZMZJTMJSA-N 1 1 306.366 2.399 20 5 DEBDMO COC(=O)[C@@]1(C)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255393181 356337957 /nfs/dbraw/zinc/33/79/57/356337957.db2.gz NCBGOOJIPTTWLU-WRLNGNIRSA-N 1 1 304.346 2.493 20 5 DEBDMO CC[N@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286653996 356371649 /nfs/dbraw/zinc/37/16/49/356371649.db2.gz UHNBZJJBUFRPAM-AWEZNQCLSA-N 1 1 307.394 2.390 20 5 DEBDMO CCN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286653996 356371651 /nfs/dbraw/zinc/37/16/51/356371651.db2.gz UHNBZJJBUFRPAM-AWEZNQCLSA-N 1 1 307.394 2.390 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000269093383 283160743 /nfs/dbraw/zinc/16/07/43/283160743.db2.gz MBRYJTIWZBCQGC-AAEUAGOBSA-N 1 1 320.349 2.424 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595632758 358507420 /nfs/dbraw/zinc/50/74/20/358507420.db2.gz HIIZZCUIGIOLIS-HZSPNIEDSA-N 1 1 306.362 2.066 20 5 DEBDMO CC(C)NC(=O)NCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000578066950 356756379 /nfs/dbraw/zinc/75/63/79/356756379.db2.gz PJHSDYBLJNPOKT-UHFFFAOYSA-N 1 1 320.393 2.267 20 5 DEBDMO CC(C)NC(=O)NCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000578066950 356756383 /nfs/dbraw/zinc/75/63/83/356756383.db2.gz PJHSDYBLJNPOKT-UHFFFAOYSA-N 1 1 320.393 2.267 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000581772120 357247169 /nfs/dbraw/zinc/24/71/69/357247169.db2.gz SFWCSJNBUHGUDA-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000581772120 357247173 /nfs/dbraw/zinc/24/71/73/357247173.db2.gz SFWCSJNBUHGUDA-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000276844349 213128526 /nfs/dbraw/zinc/12/85/26/213128526.db2.gz YYEZUEXRTVSVFM-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO CO[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000590659600 357573755 /nfs/dbraw/zinc/57/37/55/357573755.db2.gz VHGRDFSNLUUMHH-FZMZJTMJSA-N 1 1 322.361 2.223 20 5 DEBDMO C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000590083693 357516932 /nfs/dbraw/zinc/51/69/32/357516932.db2.gz IECSLOMFNIVMPG-ABAIWWIYSA-N 1 1 316.361 2.274 20 5 DEBDMO C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000590083693 357516933 /nfs/dbraw/zinc/51/69/33/357516933.db2.gz IECSLOMFNIVMPG-ABAIWWIYSA-N 1 1 316.361 2.274 20 5 DEBDMO Nc1ccc(N2CCC[N@H+](C3CCCC3)CC2)nc1[N+](=O)[O-] ZINC000590586477 357561321 /nfs/dbraw/zinc/56/13/21/357561321.db2.gz VVHBANGWZMHHLN-UHFFFAOYSA-N 1 1 305.382 2.027 20 5 DEBDMO NC(=O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000112351439 283286616 /nfs/dbraw/zinc/28/66/16/283286616.db2.gz FGNSMGKYJCPGIX-UHFFFAOYSA-N 1 1 313.357 2.125 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C)([NH3+])CC1 ZINC000592484518 357885478 /nfs/dbraw/zinc/88/54/78/357885478.db2.gz DIOSCJBZZXABSJ-UHFFFAOYSA-N 1 1 320.393 2.045 20 5 DEBDMO Cc1cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000593187629 358029339 /nfs/dbraw/zinc/02/93/39/358029339.db2.gz MYYHDLXJWCSEFP-JHJVBQTASA-N 1 1 305.378 2.456 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593739705 358134351 /nfs/dbraw/zinc/13/43/51/358134351.db2.gz HYYCHPQLZRGGTK-LBPRGKRZSA-N 1 1 323.368 2.125 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1csc([N+](=O)[O-])c1 ZINC000594204965 358223359 /nfs/dbraw/zinc/22/33/59/358223359.db2.gz YZOLRGMBMZQHRE-NEPJUHHUSA-N 1 1 309.391 2.403 20 5 DEBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@@H]1C ZINC000594568596 358295650 /nfs/dbraw/zinc/29/56/50/358295650.db2.gz UYCAYPYNERQQCU-LBPRGKRZSA-N 1 1 308.382 2.307 20 5 DEBDMO NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594599274 358301511 /nfs/dbraw/zinc/30/15/11/358301511.db2.gz IQKXWZCVDXBRKO-STQMWFEESA-N 1 1 318.377 2.123 20 5 DEBDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595307948 358419100 /nfs/dbraw/zinc/41/91/00/358419100.db2.gz CLQPGQRRXXXALH-LBPRGKRZSA-N 1 1 324.381 2.020 20 5 DEBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595307948 358419104 /nfs/dbraw/zinc/41/91/04/358419104.db2.gz CLQPGQRRXXXALH-LBPRGKRZSA-N 1 1 324.381 2.020 20 5 DEBDMO CNC(=O)CC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595336451 358424527 /nfs/dbraw/zinc/42/45/27/358424527.db2.gz GPVVVBIJYFUXLC-UHFFFAOYSA-N 1 1 309.341 2.082 20 5 DEBDMO Cc1c(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595738451 358538012 /nfs/dbraw/zinc/53/80/12/358538012.db2.gz IGEMSZKBCSBJNI-ZIAGYGMSSA-N 1 1 303.362 2.004 20 5 DEBDMO Cc1c(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595738450 358538222 /nfs/dbraw/zinc/53/82/22/358538222.db2.gz IGEMSZKBCSBJNI-UONOGXRCSA-N 1 1 303.362 2.004 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccnn1CC ZINC000596061128 358601055 /nfs/dbraw/zinc/60/10/55/358601055.db2.gz FFQJGBQRXWKZLF-UHFFFAOYSA-N 1 1 304.350 2.500 20 5 DEBDMO Cc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])s1 ZINC000596142709 358621670 /nfs/dbraw/zinc/62/16/70/358621670.db2.gz VFBLCYPVKHZZEA-LBPRGKRZSA-N 1 1 311.407 2.123 20 5 DEBDMO CCCn1cc[nH+]c1CCCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596209937 358640414 /nfs/dbraw/zinc/64/04/14/358640414.db2.gz JVBKYRAVMHPOMB-UHFFFAOYSA-N 1 1 319.365 2.371 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596470796 358693755 /nfs/dbraw/zinc/69/37/55/358693755.db2.gz PZDPDRUWTWJKQN-LLVKDONJSA-N 1 1 306.366 2.060 20 5 DEBDMO O=C1CC[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000597206641 358852546 /nfs/dbraw/zinc/85/25/46/358852546.db2.gz PSGGQUGEPXVPCH-OGCZOTBESA-N 1 1 315.373 2.209 20 5 DEBDMO COc1cccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597924851 359043697 /nfs/dbraw/zinc/04/36/97/359043697.db2.gz SYLWGPSNOMXXCW-NSHDSACASA-N 1 1 321.377 2.206 20 5 DEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000597715599 358986692 /nfs/dbraw/zinc/98/66/92/358986692.db2.gz NLRGBPLIHJSGLV-MRXNPFEDSA-N 1 1 303.362 2.153 20 5 DEBDMO Cn1c(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000598220040 359127868 /nfs/dbraw/zinc/12/78/68/359127868.db2.gz OCAYIVYSQBSFQL-LBPRGKRZSA-N 1 1 320.393 2.070 20 5 DEBDMO COc1ccc(OCCN(C)CC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000186792454 200012549 /nfs/dbraw/zinc/01/25/49/200012549.db2.gz BGXUMSQJPKUTLQ-UHFFFAOYSA-N 1 1 323.393 2.008 20 5 DEBDMO CC(=O)NC[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000599701334 359578710 /nfs/dbraw/zinc/57/87/10/359578710.db2.gz IOGZCBVTCJMEOI-MRXNPFEDSA-N 1 1 305.378 2.128 20 5 DEBDMO COc1cc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000600315291 359721151 /nfs/dbraw/zinc/72/11/51/359721151.db2.gz RJCQXBNHMGNILD-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO COc1ccc(NC(=O)Cn2cc[nH+]c2C2CC2)c([N+](=O)[O-])c1 ZINC000600612729 359784702 /nfs/dbraw/zinc/78/47/02/359784702.db2.gz BVMVEEYFJSZWEQ-UHFFFAOYSA-N 1 1 316.317 2.316 20 5 DEBDMO O=[N+]([O-])c1ccccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600765209 359822978 /nfs/dbraw/zinc/82/29/78/359822978.db2.gz UYNZTLCLCPXGFY-MRXNPFEDSA-N 1 1 319.405 2.185 20 5 DEBDMO C[C@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)c1nnc2n1CCC2 ZINC000601101594 359919837 /nfs/dbraw/zinc/91/98/37/359919837.db2.gz PQLVXHUXGVNKIU-JTQLQIEISA-N 1 1 324.344 2.276 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCCO[C@@H]3CCOC3)c2c1 ZINC000601128918 359932720 /nfs/dbraw/zinc/93/27/20/359932720.db2.gz HDYMULJRRXBZIA-CYBMUJFWSA-N 1 1 317.345 2.172 20 5 DEBDMO CCO[C@@H]1C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)[C@H]1OC ZINC000601142609 359939551 /nfs/dbraw/zinc/93/95/51/359939551.db2.gz WGAHUBFDJDRFHC-ARFHVFGLSA-N 1 1 317.345 2.169 20 5 DEBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601619347 360088876 /nfs/dbraw/zinc/08/88/76/360088876.db2.gz AEXIYAIYZIOCKD-UHFFFAOYSA-N 1 1 309.341 2.338 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601621697 360090073 /nfs/dbraw/zinc/09/00/73/360090073.db2.gz ODJDFXGXUYVWEA-NSHDSACASA-N 1 1 309.341 2.289 20 5 DEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1(c2ccccc2)CC1 ZINC000189300113 200378860 /nfs/dbraw/zinc/37/88/60/200378860.db2.gz IDOTWAGXFZPBNR-UHFFFAOYSA-N 1 1 300.362 2.455 20 5 DEBDMO CC(C)c1[nH+]ccn1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000602084817 360259074 /nfs/dbraw/zinc/25/90/74/360259074.db2.gz LFRANHIUAAIVCZ-UHFFFAOYSA-N 1 1 302.334 2.231 20 5 DEBDMO CCC[C@H](C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602474661 360393425 /nfs/dbraw/zinc/39/34/25/360393425.db2.gz RDFACJRSUICRQG-GXTWGEPZSA-N 1 1 308.382 2.291 20 5 DEBDMO CCOC(=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000602517016 360413866 /nfs/dbraw/zinc/41/38/66/360413866.db2.gz VIKFYVIOTSJUOJ-UHFFFAOYSA-N 1 1 303.318 2.389 20 5 DEBDMO CCOc1ccc2c(c1)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000441071865 238004279 /nfs/dbraw/zinc/00/42/79/238004279.db2.gz ROOOLTIFKAYYDL-UHFFFAOYSA-N 1 1 316.361 2.248 20 5 DEBDMO CCOc1ccc2c(c1)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000441071865 238004283 /nfs/dbraw/zinc/00/42/83/238004283.db2.gz ROOOLTIFKAYYDL-UHFFFAOYSA-N 1 1 316.361 2.248 20 5 DEBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602783906 360552828 /nfs/dbraw/zinc/55/28/28/360552828.db2.gz HRPKKQMFODUVBX-ZIAGYGMSSA-N 1 1 322.409 2.379 20 5 DEBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602783322 360550833 /nfs/dbraw/zinc/55/08/33/360550833.db2.gz KWIJFXZKLLUPBY-IUODEOHRSA-N 1 1 310.398 2.235 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000443873599 238125768 /nfs/dbraw/zinc/12/57/68/238125768.db2.gz CWBVQWYERDSIHO-STQMWFEESA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000443873599 238125770 /nfs/dbraw/zinc/12/57/70/238125770.db2.gz CWBVQWYERDSIHO-STQMWFEESA-N 1 1 321.377 2.077 20 5 DEBDMO CC[NH+](CC)Cc1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203532 360745664 /nfs/dbraw/zinc/74/56/64/360745664.db2.gz PHJRORBXQKQRNU-UHFFFAOYSA-N 1 1 307.329 2.216 20 5 DEBDMO Cc1nn(CCCn2cc[nH+]c2C)c2ncc([N+](=O)[O-])cc12 ZINC000603324571 360792733 /nfs/dbraw/zinc/79/27/33/360792733.db2.gz HGSHEJVLXBNHDJ-UHFFFAOYSA-N 1 1 300.322 2.243 20 5 DEBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000603401201 360817780 /nfs/dbraw/zinc/81/77/80/360817780.db2.gz JEWILRQBYHHWCP-LLVKDONJSA-N 1 1 311.407 2.346 20 5 DEBDMO O=[N+]([O-])c1cccc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1 ZINC000603848746 360864732 /nfs/dbraw/zinc/86/47/32/360864732.db2.gz SXUTVALFITXUJL-QGZVFWFLSA-N 1 1 319.405 2.282 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CO)c3ccccc3)nc2c1 ZINC000444673577 238237775 /nfs/dbraw/zinc/23/77/75/238237775.db2.gz NEDRVRLBEOGUKF-HNNXBMFYSA-N 1 1 312.329 2.294 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000604474248 360908545 /nfs/dbraw/zinc/90/85/45/360908545.db2.gz XCJCZUKNZLXTOG-GFCCVEGCSA-N 1 1 306.366 2.447 20 5 DEBDMO Cc1c(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292796559 223250109 /nfs/dbraw/zinc/25/01/09/223250109.db2.gz NCIZMDPRBBNYPA-INIZCTEOSA-N 1 1 318.377 2.463 20 5 DEBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+](CC3CC3)C2)nc2sccn21 ZINC000609384367 361307864 /nfs/dbraw/zinc/30/78/64/361307864.db2.gz OEZRYWGCXWYLJW-SNVBAGLBSA-N 1 1 307.379 2.200 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000609442554 361312357 /nfs/dbraw/zinc/31/23/57/361312357.db2.gz CJLHBVAZWLBKAW-NSHDSACASA-N 1 1 309.341 2.194 20 5 DEBDMO CNc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000610199249 361366733 /nfs/dbraw/zinc/36/67/33/361366733.db2.gz GQABDVZWNJYAII-FZMZJTMJSA-N 1 1 320.393 2.049 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000610677575 361444616 /nfs/dbraw/zinc/44/46/16/361444616.db2.gz MSQNYNFQCFJPFM-AWEZNQCLSA-N 1 1 318.421 2.484 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000610677575 361444619 /nfs/dbraw/zinc/44/46/19/361444619.db2.gz MSQNYNFQCFJPFM-AWEZNQCLSA-N 1 1 318.421 2.484 20 5 DEBDMO CC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCCO1 ZINC000611264748 361565195 /nfs/dbraw/zinc/56/51/95/361565195.db2.gz HXUPGDKDNICKON-ZDUSSCGKSA-N 1 1 322.361 2.367 20 5 DEBDMO CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCCO1 ZINC000611264748 361565198 /nfs/dbraw/zinc/56/51/98/361565198.db2.gz HXUPGDKDNICKON-ZDUSSCGKSA-N 1 1 322.361 2.367 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000611349221 361584205 /nfs/dbraw/zinc/58/42/05/361584205.db2.gz QXVPFIJDVNMXGY-UHFFFAOYSA-N 1 1 302.334 2.275 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000611349221 361584209 /nfs/dbraw/zinc/58/42/09/361584209.db2.gz QXVPFIJDVNMXGY-UHFFFAOYSA-N 1 1 302.334 2.275 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000619567009 363828129 /nfs/dbraw/zinc/82/81/29/363828129.db2.gz HGUYUFIAOMWOKC-CQSZACIVSA-N 1 1 305.378 2.460 20 5 DEBDMO O=[N+]([O-])c1sccc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000619745800 363870290 /nfs/dbraw/zinc/87/02/90/363870290.db2.gz XBLFTUUIGDWMKH-GFCCVEGCSA-N 1 1 311.407 2.205 20 5 DEBDMO COc1ccc(OCC[N@H+]2CC[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000275463442 212349540 /nfs/dbraw/zinc/34/95/40/212349540.db2.gz NOFQMRYYSPQKLD-HNNXBMFYSA-N 1 1 324.377 2.075 20 5 DEBDMO CC[N@@H+](CCNc1ccc(CC(=O)OC)cc1[N+](=O)[O-])C(C)C ZINC000450301427 241666734 /nfs/dbraw/zinc/66/67/34/241666734.db2.gz FXBJSYDZPMVHEZ-UHFFFAOYSA-N 1 1 323.393 2.453 20 5 DEBDMO O=C1NCCCC[C@H]1[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545471 243097651 /nfs/dbraw/zinc/09/76/51/243097651.db2.gz HMOQYBVIJBSECU-GOEBONIOSA-N 1 1 317.389 2.443 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451703299 243339019 /nfs/dbraw/zinc/33/90/19/243339019.db2.gz JHKVRMYPHYDKKK-QLFBSQMISA-N 1 1 320.389 2.457 20 5 DEBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+](CCO)CCCO)o1 ZINC000093323953 193232473 /nfs/dbraw/zinc/23/24/73/193232473.db2.gz RFHHEQAPZYUXEB-UHFFFAOYSA-N 1 1 320.345 2.032 20 5 DEBDMO CCCCNC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282456495 217008089 /nfs/dbraw/zinc/00/80/89/217008089.db2.gz MHQMGBRZVJEPLA-CYBMUJFWSA-N 1 1 307.394 2.374 20 5 DEBDMO O=C(CC[N@H+]1CCO[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000282660419 217159372 /nfs/dbraw/zinc/15/93/72/217159372.db2.gz LXXOADMZHBJJJU-LSDHHAIUSA-N 1 1 319.361 2.177 20 5 DEBDMO C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000455098433 246377367 /nfs/dbraw/zinc/37/73/67/246377367.db2.gz DLVPZGJZFNQFLP-CORIIIEPSA-N 1 1 318.377 2.001 20 5 DEBDMO CC[N@H+](CCO)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000267985457 206378789 /nfs/dbraw/zinc/37/87/89/206378789.db2.gz JGXIJCNULIYLDH-SNVBAGLBSA-N 1 1 306.322 2.020 20 5 DEBDMO CC[N@@H+](CCO)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000267985457 206378793 /nfs/dbraw/zinc/37/87/93/206378793.db2.gz JGXIJCNULIYLDH-SNVBAGLBSA-N 1 1 306.322 2.020 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000492341382 249043191 /nfs/dbraw/zinc/04/31/91/249043191.db2.gz MYKCLWVAEPMFMQ-VDQNYZKDSA-N 1 1 303.362 2.159 20 5 DEBDMO C[C@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000492449517 249067449 /nfs/dbraw/zinc/06/74/49/249067449.db2.gz OTDKGPIRIMVMGB-WSROAFLRSA-N 1 1 315.373 2.375 20 5 DEBDMO O=[N+]([O-])c1nn(CC[NH+]2CCCCC2)cc1Br ZINC000040517315 183089571 /nfs/dbraw/zinc/08/95/71/183089571.db2.gz UIFCQIZHKSPGEZ-UHFFFAOYSA-N 1 1 303.160 2.040 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493274017 249267649 /nfs/dbraw/zinc/26/76/49/249267649.db2.gz RLBIELMIOCXUOJ-HZRUHFOJSA-N 1 1 321.352 2.300 20 5 DEBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000047213342 183584153 /nfs/dbraw/zinc/58/41/53/183584153.db2.gz ZOTWRYUUQPCPGC-KGLIPLIRSA-N 1 1 319.405 2.374 20 5 DEBDMO COc1ccc(NC(=O)Cn2c[nH+]c(C)c2C)c([N+](=O)[O-])c1 ZINC000106440547 194214556 /nfs/dbraw/zinc/21/45/56/194214556.db2.gz BVBGUDXTPCCLPV-UHFFFAOYSA-N 1 1 304.306 2.055 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000288601087 220276763 /nfs/dbraw/zinc/27/67/63/220276763.db2.gz WJHNNZUEAHYCHE-GFCCVEGCSA-N 1 1 323.418 2.240 20 5 DEBDMO CC[N@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000288601087 220276765 /nfs/dbraw/zinc/27/67/65/220276765.db2.gz WJHNNZUEAHYCHE-GFCCVEGCSA-N 1 1 323.418 2.240 20 5 DEBDMO CCOc1ccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000057720097 184049298 /nfs/dbraw/zinc/04/92/98/184049298.db2.gz FJPKDUOSLRHKLV-NSHDSACASA-N 1 1 321.377 2.206 20 5 DEBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](CC2=CCCOC2)CC1 ZINC000160433696 285163281 /nfs/dbraw/zinc/16/32/81/285163281.db2.gz BWSVZEAEWCCNGG-UHFFFAOYSA-N 1 1 303.362 2.064 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000157552557 197196192 /nfs/dbraw/zinc/19/61/92/197196192.db2.gz ARAXMNNTOXCZKQ-OAHLLOKOSA-N 1 1 300.362 2.498 20 5 DEBDMO Cc1c([C@@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000155005460 197012676 /nfs/dbraw/zinc/01/26/76/197012676.db2.gz ZFVKZEUQHQJFDF-DZGCQCFKSA-N 1 1 320.437 2.190 20 5 DEBDMO Cc1ccc([C@@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000154980355 197010102 /nfs/dbraw/zinc/01/01/02/197010102.db2.gz LHVMMDJHYKLYMH-HUUCEWRRSA-N 1 1 320.437 2.190 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000292847711 533219790 /nfs/dbraw/zinc/21/97/90/533219790.db2.gz VKHOBARVUAGGSD-OAHLLOKOSA-N 1 1 306.362 2.483 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000366655954 131309722 /nfs/dbraw/zinc/30/97/22/131309722.db2.gz OZMDHUMJFJUCRV-KGLIPLIRSA-N 1 1 306.362 2.332 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000351653129 132925895 /nfs/dbraw/zinc/92/58/95/132925895.db2.gz VOKPZRKLVWMOMO-QWRGUYRKSA-N 1 1 322.340 2.482 20 5 DEBDMO CC1=CC[N@@H+](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000355547175 133033117 /nfs/dbraw/zinc/03/31/17/133033117.db2.gz ORLDGTVSJGDNIP-UHFFFAOYSA-N 1 1 317.389 2.296 20 5 DEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)C[N@@H+](C)C(C)C ZINC000357582922 133086417 /nfs/dbraw/zinc/08/64/17/133086417.db2.gz QATSIAYJAVYFAH-LLVKDONJSA-N 1 1 308.382 2.095 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000362605734 133241420 /nfs/dbraw/zinc/24/14/20/133241420.db2.gz IBXCWTOKVZBQNG-QGZVFWFLSA-N 1 1 320.389 2.265 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000362605734 133241421 /nfs/dbraw/zinc/24/14/21/133241421.db2.gz IBXCWTOKVZBQNG-QGZVFWFLSA-N 1 1 320.389 2.265 20 5 DEBDMO CCCC[N@@H+](CCOC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344959813 404471729 /nfs/dbraw/zinc/47/17/29/404471729.db2.gz UXMGOBSMMNAZTG-UHFFFAOYSA-N 1 1 323.393 2.306 20 5 DEBDMO O=C1NCC[C@H]1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000564666826 292104381 /nfs/dbraw/zinc/10/43/81/292104381.db2.gz QBECJKYTOJUPAE-LSDHHAIUSA-N 1 1 317.389 2.300 20 5 DEBDMO COC(=O)[C@@H](C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000190085445 145037679 /nfs/dbraw/zinc/03/76/79/145037679.db2.gz LLWCGHWJZOFQEN-GFCCVEGCSA-N 1 1 322.361 2.390 20 5 DEBDMO COC(=O)[C@@H](C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000190085445 145037680 /nfs/dbraw/zinc/03/76/80/145037680.db2.gz LLWCGHWJZOFQEN-GFCCVEGCSA-N 1 1 322.361 2.390 20 5 DEBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000248435388 145154581 /nfs/dbraw/zinc/15/45/81/145154581.db2.gz ACDPJAPNCJYDPU-MGPQQGTHSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@H](NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751254 145363863 /nfs/dbraw/zinc/36/38/63/145363863.db2.gz HXECMHDWEZLRFA-APHBMKBZSA-N 1 1 305.378 2.109 20 5 DEBDMO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751254 145363865 /nfs/dbraw/zinc/36/38/65/145363865.db2.gz HXECMHDWEZLRFA-APHBMKBZSA-N 1 1 305.378 2.109 20 5 DEBDMO O=[N+]([O-])c1cc(F)c(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(F)c1 ZINC000318076711 145367816 /nfs/dbraw/zinc/36/78/16/145367816.db2.gz GGMPFUCDEQXRJD-GXSJLCMTSA-N 1 1 313.304 2.148 20 5 DEBDMO CC[C@H](NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854278 145375464 /nfs/dbraw/zinc/37/54/64/145375464.db2.gz XIIHNSQYJFCVOS-BBWFWOEESA-N 1 1 319.405 2.499 20 5 DEBDMO CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854278 145375465 /nfs/dbraw/zinc/37/54/65/145375465.db2.gz XIIHNSQYJFCVOS-BBWFWOEESA-N 1 1 319.405 2.499 20 5 DEBDMO Cc1c(NC(=O)CCN2CC[C@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000565158439 292138619 /nfs/dbraw/zinc/13/86/19/292138619.db2.gz UNWBXQGPXTXDQA-AAEUAGOBSA-N 1 1 320.393 2.043 20 5 DEBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346158919 146026824 /nfs/dbraw/zinc/02/68/24/146026824.db2.gz CRUYXYBRUXJBMT-ZENOOKHLSA-N 1 1 317.389 2.397 20 5 DEBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346258664 146048763 /nfs/dbraw/zinc/04/87/63/146048763.db2.gz KBJZVOLALXGDHA-WOSRLPQWSA-N 1 1 317.389 2.397 20 5 DEBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346258663 146048787 /nfs/dbraw/zinc/04/87/87/146048787.db2.gz KBJZVOLALXGDHA-HEHGZKQESA-N 1 1 317.389 2.397 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000346772248 146140193 /nfs/dbraw/zinc/14/01/93/146140193.db2.gz 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DEBDMO Cc1cccc(C(=O)N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000055668235 402085403 /nfs/dbraw/zinc/08/54/03/402085403.db2.gz OWFMCZCEYQMYJI-UHFFFAOYSA-N 1 1 303.362 2.071 20 5 DEBDMO Cc1c(CC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000123324795 402122190 /nfs/dbraw/zinc/12/21/90/402122190.db2.gz AGMWXSJEOJBSKU-CQSZACIVSA-N 1 1 319.405 2.246 20 5 DEBDMO CC[N@@H+](C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000054127844 402063290 /nfs/dbraw/zinc/06/32/90/402063290.db2.gz FBAKTDMEVPECBL-UHFFFAOYSA-N 1 1 303.160 2.116 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000066968855 402148212 /nfs/dbraw/zinc/14/82/12/402148212.db2.gz RYFIDNBRNPHUFS-HVHJFMEUSA-N 1 1 303.362 2.209 20 5 DEBDMO CC[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000125740825 402248365 /nfs/dbraw/zinc/24/83/65/402248365.db2.gz OGQWRAIZPUPEQC-LBPRGKRZSA-N 1 1 303.362 2.216 20 5 DEBDMO CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000108330096 402249756 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DEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000177307083 402389188 /nfs/dbraw/zinc/38/91/88/402389188.db2.gz DHSXDNRTGPRXJG-SNVBAGLBSA-N 1 1 320.324 2.305 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000177056971 402364670 /nfs/dbraw/zinc/36/46/70/402364670.db2.gz QMCQCSNNLRPRJS-ZJUUUORDSA-N 1 1 307.325 2.089 20 5 DEBDMO C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000186566797 402442006 /nfs/dbraw/zinc/44/20/06/402442006.db2.gz AMNSZJIRRMWHEB-LSDHHAIUSA-N 1 1 320.437 2.271 20 5 DEBDMO COCC[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163303650 402446247 /nfs/dbraw/zinc/44/62/47/402446247.db2.gz FFULXKNBDGZXHA-UHFFFAOYSA-N 1 1 313.785 2.012 20 5 DEBDMO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000189459203 402538978 /nfs/dbraw/zinc/53/89/78/402538978.db2.gz GPDWQUIJVMQDQU-GFCCVEGCSA-N 1 1 322.283 2.219 20 5 DEBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000189459203 402538980 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2.256 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1CO ZINC000191729816 402689031 /nfs/dbraw/zinc/68/90/31/402689031.db2.gz NZVGHEISPRWWET-KOLCDFICSA-N 1 1 316.304 2.256 20 5 DEBDMO O=C(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC1CC1 ZINC000263778774 402802822 /nfs/dbraw/zinc/80/28/22/402802822.db2.gz FIQICAJMYVNQDA-UHFFFAOYSA-N 1 1 315.329 2.223 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000272437431 402937155 /nfs/dbraw/zinc/93/71/55/402937155.db2.gz KKLOIOPEQQDMLH-QMTHXVAHSA-N 1 1 323.780 2.414 20 5 DEBDMO C[C@@H](CCO)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272502535 402944866 /nfs/dbraw/zinc/94/48/66/402944866.db2.gz HEDMGMVKWRRRHL-SWLSCSKDSA-N 1 1 318.377 2.026 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](COc3ccccc3)C2)n1 ZINC000272515644 402946866 /nfs/dbraw/zinc/94/68/66/402946866.db2.gz GUCDCIUNDUXPEA-CQSZACIVSA-N 1 1 316.361 2.192 20 5 DEBDMO C[C@@H](O)CC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 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Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000297116830 404458542 /nfs/dbraw/zinc/45/85/42/404458542.db2.gz SLSFXVMHDKSUPT-AGUYFDCRSA-N 1 1 303.362 2.258 20 5 DEBDMO Cc1cc(N2CCC[C@@H](c3[nH+]ccn3C)C2)ncc1[N+](=O)[O-] ZINC000373061005 404525883 /nfs/dbraw/zinc/52/58/83/404525883.db2.gz VFFVGVFVQFPSFM-GFCCVEGCSA-N 1 1 301.350 2.416 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352819508 404645605 /nfs/dbraw/zinc/64/56/05/404645605.db2.gz PGUUHYUSQBWQEI-CHWSQXEVSA-N 1 1 319.405 2.423 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352819508 404645608 /nfs/dbraw/zinc/64/56/08/404645608.db2.gz PGUUHYUSQBWQEI-CHWSQXEVSA-N 1 1 319.405 2.423 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](n4cccn4)C3)nc2c1 ZINC000292024972 404631746 /nfs/dbraw/zinc/63/17/46/404631746.db2.gz YPOWMXGHVKCKPY-GFCCVEGCSA-N 1 1 313.317 2.380 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](n4cccn4)C3)nc2c1 ZINC000292024972 404631754 /nfs/dbraw/zinc/63/17/54/404631754.db2.gz YPOWMXGHVKCKPY-GFCCVEGCSA-N 1 1 313.317 2.380 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342608746 404676507 /nfs/dbraw/zinc/67/65/07/404676507.db2.gz UAKCHKBYPXZFGJ-WFASDCNBSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000342619653 404680486 /nfs/dbraw/zinc/68/04/86/404680486.db2.gz NKJRAOAOZQHSPK-LBPRGKRZSA-N 1 1 316.361 2.173 20 5 DEBDMO C[N@@H+]1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330565457 404689916 /nfs/dbraw/zinc/68/99/16/404689916.db2.gz KSEKWZUVGSAICW-UHFFFAOYSA-N 1 1 323.418 2.240 20 5 DEBDMO C[N@H+]1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330565457 404689918 /nfs/dbraw/zinc/68/99/18/404689918.db2.gz KSEKWZUVGSAICW-UHFFFAOYSA-N 1 1 323.418 2.240 20 5 DEBDMO COc1ccc(OCC[N@@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000342596698 404669242 /nfs/dbraw/zinc/66/92/42/404669242.db2.gz RDUGPPFBBLWKQX-ZDUSSCGKSA-N 1 1 324.377 2.483 20 5 DEBDMO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000330579193 404691734 /nfs/dbraw/zinc/69/17/34/404691734.db2.gz IAZLLURWILMJIS-NEPJUHHUSA-N 1 1 323.418 2.238 20 5 DEBDMO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C ZINC000330579193 404691739 /nfs/dbraw/zinc/69/17/39/404691739.db2.gz IAZLLURWILMJIS-NEPJUHHUSA-N 1 1 323.418 2.238 20 5 DEBDMO CC(=O)c1ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000365588507 404695897 /nfs/dbraw/zinc/69/58/97/404695897.db2.gz MUBDTPSOGJHAFG-KGLIPLIRSA-N 1 1 319.361 2.073 20 5 DEBDMO CCCC[C@@H](C(=O)OC)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365864092 404735452 /nfs/dbraw/zinc/73/54/52/404735452.db2.gz ASONRPWBLLOTRP-ZDUSSCGKSA-N 1 1 324.381 2.160 20 5 DEBDMO [NH3+]CC(F)(F)CN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414929911 404768828 /nfs/dbraw/zinc/76/88/28/404768828.db2.gz OKUPWQSDAZGHAC-YPMHNXCESA-N 1 1 313.348 2.490 20 5 DEBDMO NCC(F)(F)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414929911 404768831 /nfs/dbraw/zinc/76/88/31/404768831.db2.gz OKUPWQSDAZGHAC-YPMHNXCESA-N 1 1 313.348 2.490 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000356877979 404714427 /nfs/dbraw/zinc/71/44/27/404714427.db2.gz MVZOWCDNDPCDNU-CHWSQXEVSA-N 1 1 319.405 2.423 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000356877979 404714431 /nfs/dbraw/zinc/71/44/31/404714431.db2.gz MVZOWCDNDPCDNU-CHWSQXEVSA-N 1 1 319.405 2.423 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000356881901 404715655 /nfs/dbraw/zinc/71/56/55/404715655.db2.gz PCJPMBRQQLHTMG-MNOVXSKESA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000356881901 404715658 /nfs/dbraw/zinc/71/56/58/404715658.db2.gz PCJPMBRQQLHTMG-MNOVXSKESA-N 1 1 323.418 2.481 20 5 DEBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000353340072 404806756 /nfs/dbraw/zinc/80/67/56/404806756.db2.gz UIYRCOLHDWSPNV-SECBINFHSA-N 1 1 319.296 2.136 20 5 DEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000361171210 404956836 /nfs/dbraw/zinc/95/68/36/404956836.db2.gz MGLYGFZVUHBPHG-AWEZNQCLSA-N 1 1 319.405 2.374 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1 ZINC000367212424 404967359 /nfs/dbraw/zinc/96/73/59/404967359.db2.gz QEUWMLTUIKELJH-JKSUJKDBSA-N 1 1 306.362 2.017 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1 ZINC000367212424 404967364 /nfs/dbraw/zinc/96/73/64/404967364.db2.gz QEUWMLTUIKELJH-JKSUJKDBSA-N 1 1 306.362 2.017 20 5 DEBDMO CNc1c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361138051 404939369 /nfs/dbraw/zinc/93/93/69/404939369.db2.gz BLLMPWQLGHDNHP-GFCCVEGCSA-N 1 1 320.393 2.098 20 5 DEBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](CO)C(C)(C)C ZINC000361262121 404998641 /nfs/dbraw/zinc/99/86/41/404998641.db2.gz REKCTYLVHCWOQY-ZDUSSCGKSA-N 1 1 306.366 2.310 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000354008572 404999441 /nfs/dbraw/zinc/99/94/41/404999441.db2.gz SUPMAWZYEZNEPQ-LLVKDONJSA-N 1 1 316.361 2.242 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000408091880 405110020 /nfs/dbraw/zinc/11/00/20/405110020.db2.gz XSXJPMTXNGQXOI-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000408091880 405110022 /nfs/dbraw/zinc/11/00/22/405110022.db2.gz XSXJPMTXNGQXOI-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000408277423 405159789 /nfs/dbraw/zinc/15/97/89/405159789.db2.gz OXTAIUFTLVPQPL-ZDUSSCGKSA-N 1 1 322.340 2.436 20 5 DEBDMO O=C(CC[N@@H+]1CC[C@H](CCCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000452117980 405179945 /nfs/dbraw/zinc/17/99/45/405179945.db2.gz DJBKWHRHBWMXIC-ZDUSSCGKSA-N 1 1 321.377 2.018 20 5 DEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000439074760 405264903 /nfs/dbraw/zinc/26/49/03/405264903.db2.gz BSRISZOXHQXBFN-GFCCVEGCSA-N 1 1 308.382 2.163 20 5 DEBDMO Cc1c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425050412 405237258 /nfs/dbraw/zinc/23/72/58/405237258.db2.gz RDMQPBHMBJVLRT-SWLSCSKDSA-N 1 1 303.362 2.069 20 5 DEBDMO C[C@@H]1[C@H](C)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000419338116 405241911 /nfs/dbraw/zinc/24/19/11/405241911.db2.gz BWHSZWUSUXUCJY-UPJWGTAASA-N 1 1 317.389 2.460 20 5 DEBDMO COCCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419379777 405246124 /nfs/dbraw/zinc/24/61/24/405246124.db2.gz GAIQSPDAVQBNCI-GFCCVEGCSA-N 1 1 309.366 2.280 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331093 405322359 /nfs/dbraw/zinc/32/23/59/405322359.db2.gz QPCUGOJONOOBLQ-HIFRSBDPSA-N 1 1 319.405 2.343 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426204843 405343748 /nfs/dbraw/zinc/34/37/48/405343748.db2.gz SMKJIXJRFFRRKX-NILFDRSVSA-N 1 1 321.377 2.157 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420929081 405407811 /nfs/dbraw/zinc/40/78/11/405407811.db2.gz CZZCZMMNFVPZMU-GXTWGEPZSA-N 1 1 308.378 2.436 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420929081 405407812 /nfs/dbraw/zinc/40/78/12/405407812.db2.gz CZZCZMMNFVPZMU-GXTWGEPZSA-N 1 1 308.378 2.436 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](CC(F)(F)F)C2)n1 ZINC000420938365 405411310 /nfs/dbraw/zinc/41/13/10/405411310.db2.gz ASCGMLNHUCXSOI-SNVBAGLBSA-N 1 1 306.288 2.456 20 5 DEBDMO COc1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000421098455 405447060 /nfs/dbraw/zinc/44/70/60/405447060.db2.gz YAPOEFTWEARIGC-GFCCVEGCSA-N 1 1 322.365 2.161 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429868859 405453728 /nfs/dbraw/zinc/45/37/28/405453728.db2.gz OYXGBISUQSRIHQ-ZDUSSCGKSA-N 1 1 319.405 2.330 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000578044042 405562674 /nfs/dbraw/zinc/56/26/74/405562674.db2.gz CXSZKSTZUQNGEZ-VBNZEHGJSA-N 1 1 317.389 2.156 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000577819466 405517125 /nfs/dbraw/zinc/51/71/25/405517125.db2.gz DIWXGCROCSISIW-RISCZKNCSA-N 1 1 304.350 2.071 20 5 DEBDMO Cn1nncc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449501266 405585753 /nfs/dbraw/zinc/58/57/53/405585753.db2.gz PKPRDKMLCVQPJG-ZDUSSCGKSA-N 1 1 301.350 2.103 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000557533106 405602878 /nfs/dbraw/zinc/60/28/78/405602878.db2.gz IZQWKDUTBMJINI-LLVKDONJSA-N 1 1 319.361 2.338 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000421798064 405650867 /nfs/dbraw/zinc/65/08/67/405650867.db2.gz XKQJQRWRCKMPLR-CHWSQXEVSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000421798064 405650873 /nfs/dbraw/zinc/65/08/73/405650873.db2.gz XKQJQRWRCKMPLR-CHWSQXEVSA-N 1 1 305.378 2.376 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000559255966 405726477 /nfs/dbraw/zinc/72/64/77/405726477.db2.gz XOPJCFUALFKDSK-UHFFFAOYSA-N 1 1 307.350 2.136 20 5 DEBDMO COc1cc(C(=O)NCCCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000457194631 405745127 /nfs/dbraw/zinc/74/51/27/405745127.db2.gz GCCIDPOUVBJNSG-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO CCC(N)(CC)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423288852 405750192 /nfs/dbraw/zinc/75/01/92/405750192.db2.gz VKRQGYKFHUKPKO-OLZOCXBDSA-N 1 1 309.414 2.382 20 5 DEBDMO CC(C)(O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000530699479 405848821 /nfs/dbraw/zinc/84/88/21/405848821.db2.gz ZXDJFGIIQRJRPB-UHFFFAOYSA-N 1 1 308.378 2.347 20 5 DEBDMO CCOc1cccc(NC[C@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000450595763 405971795 /nfs/dbraw/zinc/97/17/95/405971795.db2.gz MMHXIQSJWKUJHS-CYBMUJFWSA-N 1 1 323.393 2.252 20 5 DEBDMO CC[C@@H]1OCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000459763025 406036374 /nfs/dbraw/zinc/03/63/74/406036374.db2.gz ADHPMHYXQCTKFT-OLZOCXBDSA-N 1 1 318.333 2.302 20 5 DEBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000475723929 406148087 /nfs/dbraw/zinc/14/80/87/406148087.db2.gz HDKZLMCMWZNMGS-RYUDHWBXSA-N 1 1 322.361 2.377 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000487604097 406250793 /nfs/dbraw/zinc/25/07/93/406250793.db2.gz KBMPMPPIAIPZNG-RYUDHWBXSA-N 1 1 320.393 2.122 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000536553882 406264874 /nfs/dbraw/zinc/26/48/74/406264874.db2.gz LNVDRVDYROXJPD-OLZOCXBDSA-N 1 1 320.393 2.219 20 5 DEBDMO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569884763 406316310 /nfs/dbraw/zinc/31/63/10/406316310.db2.gz YVBZGOFZEWZPQO-MJBXVCDLSA-N 1 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COC(=O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582556 642188571 /nfs/dbraw/zinc/18/85/71/642188571.db2.gz VFGONLZDQNAQSB-LSDHHAIUSA-N 1 1 322.361 2.046 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000776590976 642189298 /nfs/dbraw/zinc/18/92/98/642189298.db2.gz LAGAKPYAAORNMP-ZFWWWQNUSA-N 1 1 316.361 2.231 20 5 DEBDMO C[C@@H]1C[C@H](N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000776591566 642190780 /nfs/dbraw/zinc/19/07/80/642190780.db2.gz KHFSUZKYRXCJHR-DAXOMENPSA-N 1 1 307.394 2.043 20 5 DEBDMO C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776591566 642190784 /nfs/dbraw/zinc/19/07/84/642190784.db2.gz KHFSUZKYRXCJHR-DAXOMENPSA-N 1 1 307.394 2.043 20 5 DEBDMO C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776591566 642190787 /nfs/dbraw/zinc/19/07/87/642190787.db2.gz KHFSUZKYRXCJHR-DAXOMENPSA-N 1 1 307.394 2.043 20 5 DEBDMO CC[C@@]1(CO)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778329123 642373780 /nfs/dbraw/zinc/37/37/80/642373780.db2.gz FGFVWDGVXLNCCM-HZPDHXFCSA-N 1 1 308.378 2.113 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1C ZINC000900912334 642515380 /nfs/dbraw/zinc/51/53/80/642515380.db2.gz KHTSZXYAIRWKBS-LLVKDONJSA-N 1 1 305.378 2.283 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000781393800 642746854 /nfs/dbraw/zinc/74/68/54/642746854.db2.gz GHANRIVEQNLKNG-NSHDSACASA-N 1 1 321.352 2.423 20 5 DEBDMO Cc1nn(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000782288695 642854271 /nfs/dbraw/zinc/85/42/71/642854271.db2.gz HYKXHBXMVXUOQL-CQSZACIVSA-N 1 1 301.350 2.017 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000782288695 642854278 /nfs/dbraw/zinc/85/42/78/642854278.db2.gz HYKXHBXMVXUOQL-CQSZACIVSA-N 1 1 301.350 2.017 20 5 DEBDMO COc1ccc(OCCO[NH+]=C(N)CC2CC2)c([N+](=O)[O-])c1 ZINC000782336283 642863994 /nfs/dbraw/zinc/86/39/94/642863994.db2.gz CEMYWHVOKQYERC-UHFFFAOYSA-N 1 1 309.322 2.281 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1Cl ZINC000783677068 643036697 /nfs/dbraw/zinc/03/66/97/643036697.db2.gz GTUMNLTVBBEEJS-LLVKDONJSA-N 1 1 307.741 2.287 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)cc1Cl ZINC000783677068 643036701 /nfs/dbraw/zinc/03/67/01/643036701.db2.gz GTUMNLTVBBEEJS-LLVKDONJSA-N 1 1 307.741 2.287 20 5 DEBDMO COCCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783730207 643044056 /nfs/dbraw/zinc/04/40/56/643044056.db2.gz SFUVAVXSTWBTEJ-UHFFFAOYSA-N 1 1 302.758 2.079 20 5 DEBDMO COCC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000786185853 643336260 /nfs/dbraw/zinc/33/62/60/643336260.db2.gz CEIHBFDTXQYWEE-ZDUSSCGKSA-N 1 1 314.769 2.486 20 5 DEBDMO COCC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000786185853 643336265 /nfs/dbraw/zinc/33/62/65/643336265.db2.gz CEIHBFDTXQYWEE-ZDUSSCGKSA-N 1 1 314.769 2.486 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000792922988 644168907 /nfs/dbraw/zinc/16/89/07/644168907.db2.gz SZRWAFDSNUAAIC-OAGGEKHMSA-N 1 1 306.362 2.272 20 5 DEBDMO Cc1nn(C[N@H+]2CCC[C@](C)(O)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000794673592 644457844 /nfs/dbraw/zinc/45/78/44/644457844.db2.gz VFZMYGOORJHQOA-INIZCTEOSA-N 1 1 318.377 2.447 20 5 DEBDMO CCCc1[nH]nc(C(=O)OCC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000796262259 644708069 /nfs/dbraw/zinc/70/80/69/644708069.db2.gz XJAAHCUXNMNVHR-NSHDSACASA-N 1 1 324.381 2.302 20 5 DEBDMO C[C@H](CO)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000796546686 644751848 /nfs/dbraw/zinc/75/18/48/644751848.db2.gz NCJDSKGFDSMTTA-WBMJQRKESA-N 1 1 308.378 2.111 20 5 DEBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000155443748 644872455 /nfs/dbraw/zinc/87/24/55/644872455.db2.gz JBKGFHSQEBIJPO-YPMHNXCESA-N 1 1 304.350 2.137 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910267940 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BZJLFMRDGPQTHK-CYBMUJFWSA-N 1 1 317.393 2.236 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000151172305 646287031 /nfs/dbraw/zinc/28/70/31/646287031.db2.gz VGNPVJKYGMOUIR-PHIMTYICSA-N 1 1 303.318 2.192 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000151172305 646287035 /nfs/dbraw/zinc/28/70/35/646287035.db2.gz VGNPVJKYGMOUIR-PHIMTYICSA-N 1 1 303.318 2.192 20 5 DEBDMO COc1cccc(C(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000810843598 646433829 /nfs/dbraw/zinc/43/38/29/646433829.db2.gz XFKMMCUNBYXLIS-VXGBXAGGSA-N 1 1 320.345 2.387 20 5 DEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849157 646705724 /nfs/dbraw/zinc/70/57/24/646705724.db2.gz OKGJOFGQLKBVEB-BBRMVZONSA-N 1 1 318.377 2.235 20 5 DEBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929478372 646836681 /nfs/dbraw/zinc/83/66/81/646836681.db2.gz AYVHSKBFSHCZTO-VXGBXAGGSA-N 1 1 301.387 2.031 20 5 DEBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929478372 646836684 /nfs/dbraw/zinc/83/66/84/646836684.db2.gz AYVHSKBFSHCZTO-VXGBXAGGSA-N 1 1 301.387 2.031 20 5 DEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000816950104 647203537 /nfs/dbraw/zinc/20/35/37/647203537.db2.gz LWZHUEOJOCYLPO-KDJLYAGDSA-N 1 1 315.373 2.161 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2noc3c2CCCC3)cc1 ZINC000819317663 647632871 /nfs/dbraw/zinc/63/28/71/647632871.db2.gz YRSNQQAYSRSZBV-OAHLLOKOSA-N 1 1 317.345 2.285 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819318371 647633101 /nfs/dbraw/zinc/63/31/01/647633101.db2.gz ZDOIXPDDQPWOAI-CZUORRHYSA-N 1 1 309.410 2.338 20 5 DEBDMO CCCCN(C)C[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819318371 647633105 /nfs/dbraw/zinc/63/31/05/647633105.db2.gz ZDOIXPDDQPWOAI-CZUORRHYSA-N 1 1 309.410 2.338 20 5 DEBDMO CC(=O)c1ccc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000819953212 647748733 /nfs/dbraw/zinc/74/87/33/647748733.db2.gz MIUCOHUGDOLFNA-XJKSGUPXSA-N 1 1 303.362 2.328 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2)cc1 ZINC000923757085 648026910 /nfs/dbraw/zinc/02/69/10/648026910.db2.gz CNIOPVMACITMOJ-OLZOCXBDSA-N 1 1 316.317 2.181 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000821301169 648029099 /nfs/dbraw/zinc/02/90/99/648029099.db2.gz JMIRWPWDEVNRRG-LBPRGKRZSA-N 1 1 305.378 2.378 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000821301169 648029102 /nfs/dbraw/zinc/02/91/02/648029102.db2.gz JMIRWPWDEVNRRG-LBPRGKRZSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000921336870 648292083 /nfs/dbraw/zinc/29/20/83/648292083.db2.gz YXXMVXWOPTZWSF-OBJOEFQTSA-N 1 1 320.393 2.356 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000823194963 648371182 /nfs/dbraw/zinc/37/11/82/648371182.db2.gz KXYGSIVBGSEWDN-GFCCVEGCSA-N 1 1 308.338 2.029 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823988637 648507821 /nfs/dbraw/zinc/50/78/21/648507821.db2.gz YXCSEEMNRFJCPE-UHFFFAOYSA-N 1 1 309.370 2.030 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000824639313 648628027 /nfs/dbraw/zinc/62/80/27/648628027.db2.gz JOJUJQKGJOHNDN-LLVKDONJSA-N 1 1 309.341 2.196 20 5 DEBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825130463 648708521 /nfs/dbraw/zinc/70/85/21/648708521.db2.gz YKMYYMUHRKDRDX-MFKMUULPSA-N 1 1 314.769 2.220 20 5 DEBDMO Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000825517209 648774392 /nfs/dbraw/zinc/77/43/92/648774392.db2.gz PVVXYUIRJFOYEX-SNVBAGLBSA-N 1 1 311.769 2.381 20 5 DEBDMO COCC[N@H+]1[C@H](C)CN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000826632521 648892599 /nfs/dbraw/zinc/89/25/99/648892599.db2.gz HHJCWWUUVIIJDV-TXEJJXNPSA-N 1 1 311.357 2.279 20 5 DEBDMO 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/nfs/dbraw/zinc/63/09/86/691630986.db2.gz YXEMNDLDWOFLLI-ZDUSSCGKSA-N 1 1 308.407 2.366 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H]([C@H]4CCCO4)C3)c2c1 ZINC000884483545 691748680 /nfs/dbraw/zinc/74/86/80/691748680.db2.gz UZOZSWZLJDFURI-XJKSGUPXSA-N 1 1 316.361 2.403 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000884483278 691748871 /nfs/dbraw/zinc/74/88/71/691748871.db2.gz QRTRGQCEDCQIDM-MLGOLLRUSA-N 1 1 316.361 2.403 20 5 DEBDMO O=[N+]([O-])c1cnc(N2CCN(c3[nH]cc[nH+]3)CC2)c2ccccc21 ZINC000884487616 691750018 /nfs/dbraw/zinc/75/00/18/691750018.db2.gz ZKIOVGDFPYOUBH-UHFFFAOYSA-N 1 1 324.344 2.193 20 5 DEBDMO O=[N+]([O-])c1c(NCC[N@@H+]2CC[C@@H](O)C2)cccc1C(F)(F)F ZINC000884566069 691763663 /nfs/dbraw/zinc/76/36/63/691763663.db2.gz AFYKLCJWFRODQS-SECBINFHSA-N 1 1 319.283 2.092 20 5 DEBDMO C[N@@H+]1CCN(Cc2cccnc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000886089765 692001239 /nfs/dbraw/zinc/00/12/39/692001239.db2.gz JGAVSTUXDDUFMC-MRXNPFEDSA-N 1 1 312.373 2.479 20 5 DEBDMO C[N@H+]1CCN(Cc2cccnc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000886089765 692001242 /nfs/dbraw/zinc/00/12/42/692001242.db2.gz JGAVSTUXDDUFMC-MRXNPFEDSA-N 1 1 312.373 2.479 20 5 DEBDMO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)nc1 ZINC000886302050 692049444 /nfs/dbraw/zinc/04/94/44/692049444.db2.gz DCJHDAUFUDWYOP-CQSZACIVSA-N 1 1 314.345 2.347 20 5 DEBDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)nc1 ZINC000886302050 692049448 /nfs/dbraw/zinc/04/94/48/692049448.db2.gz DCJHDAUFUDWYOP-CQSZACIVSA-N 1 1 314.345 2.347 20 5 DEBDMO CCOc1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000931902196 694501395 /nfs/dbraw/zinc/50/13/95/694501395.db2.gz GCBGZMYPEAWRLT-CMPLNLGQSA-N 1 1 322.365 2.208 20 5 DEBDMO CCOc1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000931902200 694501614 /nfs/dbraw/zinc/50/16/14/694501614.db2.gz GCBGZMYPEAWRLT-PWSUYJOCSA-N 1 1 322.365 2.208 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)n1 ZINC000931917349 694505789 /nfs/dbraw/zinc/50/57/89/694505789.db2.gz XUXOZSQRDXSEPT-JTQLQIEISA-N 1 1 322.262 2.158 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000886836295 692205412 /nfs/dbraw/zinc/20/54/12/692205412.db2.gz YMYBVRBDDRTVIA-CZUORRHYSA-N 1 1 306.362 2.475 20 5 DEBDMO O=[N+]([O-])c1ncccc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000886841465 692207880 /nfs/dbraw/zinc/20/78/80/692207880.db2.gz LZUBXXFQULEEHM-CQSZACIVSA-N 1 1 304.394 2.201 20 5 DEBDMO COc1ccc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000889901215 692806436 /nfs/dbraw/zinc/80/64/36/692806436.db2.gz SLBNEAIEPVNTAP-QWRGUYRKSA-N 1 1 307.350 2.272 20 5 DEBDMO Cc1c(CC(=O)NCC[N@H+]2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000890075803 692855216 /nfs/dbraw/zinc/85/52/16/692855216.db2.gz OPINBYBNRMNULG-UHFFFAOYSA-N 1 1 319.405 2.294 20 5 DEBDMO CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050516487 693199070 /nfs/dbraw/zinc/19/90/70/693199070.db2.gz DATCUGCQNLEWCQ-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO Cc1cc(NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC001350263481 1151338772 /nfs/dbraw/zinc/33/87/72/1151338772.db2.gz XGMXFVWSEUCTDG-LLVKDONJSA-N 1 1 306.366 2.367 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001350357673 1151347205 /nfs/dbraw/zinc/34/72/05/1151347205.db2.gz SFGIMEGCDMGCQF-CQSZACIVSA-N 1 1 303.362 2.310 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001167751400 778413884 /nfs/dbraw/zinc/41/38/84/778413884.db2.gz KNNDLIARHHDUNS-LLVKDONJSA-N 1 1 318.381 2.494 20 5 DEBDMO C[N@@H+]1CCCC[C@@H]1C(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000745079951 784672949 /nfs/dbraw/zinc/67/29/49/784672949.db2.gz NSIQRSSRSHRAKX-OAHLLOKOSA-N 1 1 322.361 2.391 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1C(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000745079951 784672957 /nfs/dbraw/zinc/67/29/57/784672957.db2.gz NSIQRSSRSHRAKX-OAHLLOKOSA-N 1 1 322.361 2.391 20 5 DEBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000745084279 784678227 /nfs/dbraw/zinc/67/82/27/784678227.db2.gz IHDNYDIVMQNTCB-OAHLLOKOSA-N 1 1 322.361 2.391 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000745084279 784678235 /nfs/dbraw/zinc/67/82/35/784678235.db2.gz IHDNYDIVMQNTCB-OAHLLOKOSA-N 1 1 322.361 2.391 20 5 DEBDMO NC1(c2ccccc2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997508 784997058 /nfs/dbraw/zinc/99/70/58/784997058.db2.gz CUDHDXLRDFBSCR-ZBFHGGJFSA-N 1 1 303.406 2.382 20 5 DEBDMO [NH3+]C1(c2ccccc2)CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997508 784997062 /nfs/dbraw/zinc/99/70/62/784997062.db2.gz CUDHDXLRDFBSCR-ZBFHGGJFSA-N 1 1 303.406 2.382 20 5 DEBDMO COC(=O)CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169030426 785009411 /nfs/dbraw/zinc/00/94/11/785009411.db2.gz ZUVWRPVBWPGCBB-JKSUJKDBSA-N 1 1 320.389 2.497 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(N3CCC(F)CC3)CC2)C1 ZINC001169034242 785011304 /nfs/dbraw/zinc/01/13/04/785011304.db2.gz GHQKQQVGWLEGNP-XJKSGUPXSA-N 1 1 313.417 2.330 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@@H](N2CCC([NH+]3CCC(F)CC3)CC2)C1 ZINC001169034242 785011309 /nfs/dbraw/zinc/01/13/09/785011309.db2.gz GHQKQQVGWLEGNP-XJKSGUPXSA-N 1 1 313.417 2.330 20 5 DEBDMO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC001170296291 786892024 /nfs/dbraw/zinc/89/20/24/786892024.db2.gz GIWSQFCOJRLZHX-KBPBESRZSA-N 1 1 321.421 2.466 20 5 DEBDMO CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CN(C)C1 ZINC001170351224 786931957 /nfs/dbraw/zinc/93/19/57/786931957.db2.gz BIYLYCPDDKGCJU-LBPRGKRZSA-N 1 1 307.394 2.170 20 5 DEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001129486140 787219869 /nfs/dbraw/zinc/21/98/69/787219869.db2.gz CMJLKKGGAFRLQV-UHFFFAOYSA-N 1 1 318.333 2.459 20 5 DEBDMO CC[C@]([NH3+])(CO)Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001170856789 789523386 /nfs/dbraw/zinc/52/33/86/789523386.db2.gz AJARNBCIGBOVMP-OAHLLOKOSA-N 1 1 302.334 2.126 20 5 DEBDMO C[N@H+]1CC[C@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000712529843 792199511 /nfs/dbraw/zinc/19/95/11/792199511.db2.gz NHJNPLDUVQJMFL-VIFPVBQESA-N 1 1 300.156 2.473 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)C[N@H+](C)C(C)C)c1 ZINC001094457045 792931986 /nfs/dbraw/zinc/93/19/86/792931986.db2.gz XMUWACFKABBDAP-UHFFFAOYSA-N 1 1 322.409 2.162 20 5 DEBDMO CC[N@@H+](C)CCC(=O)N(C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC001101757033 793361592 /nfs/dbraw/zinc/36/15/92/793361592.db2.gz WUTWJNZSQGVVLT-UHFFFAOYSA-N 1 1 322.409 2.115 20 5 DEBDMO Cc1nc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)no1 ZINC001172895781 793530911 /nfs/dbraw/zinc/53/09/11/793530911.db2.gz IWMOKQRMVKTKOP-CYBMUJFWSA-N 1 1 302.334 2.323 20 5 DEBDMO COC(C[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)OC ZINC001172919534 793532665 /nfs/dbraw/zinc/53/26/65/793532665.db2.gz GKXCGJQUAQLUCC-CQSZACIVSA-N 1 1 308.378 2.393 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001116126581 794940229 /nfs/dbraw/zinc/94/02/29/794940229.db2.gz SGWOLRKTLSKXFM-NWDGAFQWSA-N 1 1 320.393 2.191 20 5 DEBDMO Cc1ccc(NC(=O)C[NH+]2CCC(C)CC2)c(N)c1[N+](=O)[O-] ZINC001179875417 795197570 /nfs/dbraw/zinc/19/75/70/795197570.db2.gz VAXRSPCTDOTZOS-UHFFFAOYSA-N 1 1 306.366 2.156 20 5 DEBDMO O=[N+]([O-])c1cccc(N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)n1 ZINC001155090618 797679292 /nfs/dbraw/zinc/67/92/92/797679292.db2.gz GVWHZJCNJYNXCN-HNNXBMFYSA-N 1 1 310.357 2.409 20 5 DEBDMO O=[N+]([O-])c1cccc(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)n1 ZINC001155090618 797679295 /nfs/dbraw/zinc/67/92/95/797679295.db2.gz GVWHZJCNJYNXCN-HNNXBMFYSA-N 1 1 310.357 2.409 20 5 DEBDMO CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001198157640 798290162 /nfs/dbraw/zinc/29/01/62/798290162.db2.gz RTYJAPHOPPCJLH-LBPRGKRZSA-N 1 1 309.341 2.034 20 5 DEBDMO CC(C)[N@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1C ZINC001158501323 798417878 /nfs/dbraw/zinc/41/78/78/798417878.db2.gz ROCOYKYZSYETED-LBPRGKRZSA-N 1 1 315.377 2.457 20 5 DEBDMO CC(=O)NCCC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001158997053 798501829 /nfs/dbraw/zinc/50/18/29/798501829.db2.gz YSVUYNNQQNSGFK-UHFFFAOYSA-N 1 1 303.362 2.253 20 5 DEBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc2ccc3cccnc3c2n1 ZINC001159293677 798548138 /nfs/dbraw/zinc/54/81/38/798548138.db2.gz MQNHJLIZGJEZAB-UHFFFAOYSA-N 1 1 319.368 2.484 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001160161131 798657135 /nfs/dbraw/zinc/65/71/35/798657135.db2.gz VSJJUKOMLZLMNB-CYBMUJFWSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1c(C)c(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC001160725833 798729802 /nfs/dbraw/zinc/72/98/02/798729802.db2.gz QUUAPIZRGNVUDD-UONOGXRCSA-N 1 1 320.393 2.272 20 5 DEBDMO Cc1ccnc(NCC[NH+]2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC001160747085 798734678 /nfs/dbraw/zinc/73/46/78/798734678.db2.gz GSQFACZMPJOMDQ-UHFFFAOYSA-N 1 1 300.309 2.441 20 5 DEBDMO CCOC(=O)[C@H](C)CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001160891396 798756622 /nfs/dbraw/zinc/75/66/22/798756622.db2.gz FYEKJTCKNIYDSN-XUIVZRPNSA-N 1 1 322.365 2.133 20 5 DEBDMO C[NH+]1CCN(CCCNc2cc3cc[nH]c3c([N+](=O)[O-])c2)CC1 ZINC001161708465 798919054 /nfs/dbraw/zinc/91/90/54/798919054.db2.gz LHVBXHGASNWYNG-UHFFFAOYSA-N 1 1 317.393 2.126 20 5 DEBDMO Cc1nccnc1CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001162001935 798990936 /nfs/dbraw/zinc/99/09/36/798990936.db2.gz IDIQDPUTHRPHGX-QPJJXVBHSA-N 1 1 314.349 2.233 20 5 DEBDMO CCOC(=O)c1ccnc(N[C@]2(C)CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001162340989 799066666 /nfs/dbraw/zinc/06/66/66/799066666.db2.gz YCABDIVBVJBQQV-OAHLLOKOSA-N 1 1 322.365 2.063 20 5 DEBDMO [NH3+][C@@H]1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)CCC1(F)F ZINC001164319554 799570809 /nfs/dbraw/zinc/57/08/09/799570809.db2.gz JKQRNJCAXXCPAT-GFCCVEGCSA-N 1 1 308.288 2.316 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNc2cccc3ncc([N+](=O)[O-])n32)C1 ZINC001165299776 799700943 /nfs/dbraw/zinc/70/09/43/799700943.db2.gz CFPWPFPJRXZXTB-GFCCVEGCSA-N 1 1 303.366 2.386 20 5 DEBDMO Cc1[nH+]cc2n1CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])C2 ZINC001165384915 799717850 /nfs/dbraw/zinc/71/78/50/799717850.db2.gz KPSRHQPTTXJZLC-UHFFFAOYSA-N 1 1 307.741 2.477 20 5 DEBDMO Cc1csc(C[C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000933135497 800019642 /nfs/dbraw/zinc/01/96/42/800019642.db2.gz VPJAHSALDHMQFM-LBPRGKRZSA-N 1 1 321.406 2.121 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933926137 800216721 /nfs/dbraw/zinc/21/67/21/800216721.db2.gz AKCRUVBYJVLOJE-WQVCFCJDSA-N 1 1 317.389 2.156 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000935246148 800606682 /nfs/dbraw/zinc/60/66/82/800606682.db2.gz CSDUKAUTEQAERL-UHFFFAOYSA-N 1 1 321.352 2.045 20 5 DEBDMO CC[N@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2C(=O)OC)C1 ZINC001229049501 801215307 /nfs/dbraw/zinc/21/53/07/801215307.db2.gz BVOUTLJYHWOEHE-LLVKDONJSA-N 1 1 308.334 2.245 20 5 DEBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(O)c(Cl)cc1Cl ZINC001229410387 801273117 /nfs/dbraw/zinc/27/31/17/801273117.db2.gz KFKDGGMSHCGMJQ-MRVPVSSYSA-O 1 1 323.196 2.062 20 5 DEBDMO CC[N@H+]1CC[C@@H](Oc2c(C(=O)OC)ccc(C)c2[N+](=O)[O-])C1 ZINC001229903899 801335298 /nfs/dbraw/zinc/33/52/98/801335298.db2.gz RVHWLEKENYSXPI-LLVKDONJSA-N 1 1 308.334 2.163 20 5 DEBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001230314869 801385100 /nfs/dbraw/zinc/38/51/00/801385100.db2.gz JFCIGCDOEDVSCR-SECBINFHSA-N 1 1 304.262 2.093 20 5 DEBDMO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001217989464 802128016 /nfs/dbraw/zinc/12/80/16/802128016.db2.gz QTMYSNAUETWRRL-RNCFNFMXSA-N 1 1 318.333 2.011 20 5 DEBDMO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@@H](C)[NH3+] ZINC001219005130 802273394 /nfs/dbraw/zinc/27/33/94/802273394.db2.gz DCIJOZKKYLEZQU-SNVBAGLBSA-N 1 1 324.384 2.242 20 5 DEBDMO COC(=O)c1c(CO[C@H]2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC001223293211 802778490 /nfs/dbraw/zinc/77/84/90/802778490.db2.gz IJFZARYJKNQNED-ZDUSSCGKSA-N 1 1 322.361 2.382 20 5 DEBDMO COc1cc(CO[C@H]2CCc3[nH+]ccn3C2)cc([N+](=O)[O-])c1 ZINC001223396372 802786589 /nfs/dbraw/zinc/78/65/89/802786589.db2.gz OSWICSMEDNNLRH-ZDUSSCGKSA-N 1 1 303.318 2.332 20 5 DEBDMO COC(=O)c1cccc(CO[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001223662885 802807044 /nfs/dbraw/zinc/80/70/44/802807044.db2.gz PNUMJYVJKPAFCA-ZDUSSCGKSA-N 1 1 322.361 2.381 20 5 DEBDMO C[N@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225897610 803026933 /nfs/dbraw/zinc/02/69/33/803026933.db2.gz LQZMRTLMMYLUJH-SECBINFHSA-N 1 1 305.256 2.482 20 5 DEBDMO CC[N@H+]1CC[C@H](Oc2ccc(Br)nc2[N+](=O)[O-])C1 ZINC001227256947 803223133 /nfs/dbraw/zinc/22/31/33/803223133.db2.gz OCWWXVOVJLVLRF-QMMMGPOBSA-N 1 1 316.155 2.225 20 5 DEBDMO Cc1nc(Cl)nc(O[C@@H]2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC001227334059 803231418 /nfs/dbraw/zinc/23/14/18/803231418.db2.gz CTGXGYFMURHQPK-SECBINFHSA-N 1 1 300.746 2.210 20 5 DEBDMO Cc1cc(C)c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001228229285 803333811 /nfs/dbraw/zinc/33/38/11/803333811.db2.gz HKVPIPSPAPVOTJ-NJZAAPMLSA-N 1 1 304.346 2.395 20 5 DEBDMO Cc1cc(C)c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c([N+](=O)[O-])c1 ZINC001228229285 803333819 /nfs/dbraw/zinc/33/38/19/803333819.db2.gz HKVPIPSPAPVOTJ-NJZAAPMLSA-N 1 1 304.346 2.395 20 5 DEBDMO COCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001331112058 1149382758 /nfs/dbraw/zinc/38/27/58/1149382758.db2.gz DGBOBSIJPLIZBM-UHFFFAOYSA-N 1 1 304.350 2.133 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001344749126 1150839456 /nfs/dbraw/zinc/83/94/56/1150839456.db2.gz OGCRYPVYCGIAMH-UHFFFAOYSA-N 1 1 322.365 2.163 20 5 DEBDMO COc1ccc(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001345745787 1150911760 /nfs/dbraw/zinc/91/17/60/1150911760.db2.gz PFAPTNLLSGTHLN-LLVKDONJSA-N 1 1 324.381 2.454 20 5 DEBDMO CSc1cccc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001526564341 1070309537 /nfs/dbraw/zinc/30/95/37/1070309537.db2.gz BSVLWHAQGAOJJR-PWSUYJOCSA-N 1 1 321.402 2.093 20 5 DEBDMO CC(C)c1ncc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[nH]1 ZINC001456342799 1057847027 /nfs/dbraw/zinc/84/70/27/1057847027.db2.gz HJKDQSWBGHFOAJ-UHFFFAOYSA-N 1 1 321.312 2.093 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001465899236 1059382099 /nfs/dbraw/zinc/38/20/99/1059382099.db2.gz ABWJEOPIEHOHDU-JOYOIKCWSA-N 1 1 323.780 2.461 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC001466716680 1059521397 /nfs/dbraw/zinc/52/13/97/1059521397.db2.gz NZUCLRBYPFOGDR-GFCCVEGCSA-N 1 1 309.341 2.337 20 5 DEBDMO O=C(NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC001493338120 1063725815 /nfs/dbraw/zinc/72/58/15/1063725815.db2.gz VRHKLHMITVKPOJ-UHFFFAOYSA-N 1 1 303.362 2.085 20 5 DEBDMO Cc1c[nH+]cn1CC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001538628180 1072347284 /nfs/dbraw/zinc/34/72/84/1072347284.db2.gz IWOONWTZXIQZTE-UHFFFAOYSA-N 1 1 311.301 2.287 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](c3ncccn3)C2)c1 ZINC001620619083 1078165620 /nfs/dbraw/zinc/16/56/20/1078165620.db2.gz UTOXUEJCDBGPBF-CYBMUJFWSA-N 1 1 314.345 2.253 20 5 DEBDMO C[C@H](NC(=O)CC[N@H+]1CC[C@@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC001625072258 1078237522 /nfs/dbraw/zinc/23/75/22/1078237522.db2.gz SNPXRSKOAKZTMG-WCQYABFASA-N 1 1 309.341 2.206 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC001625244310 1078240688 /nfs/dbraw/zinc/24/06/88/1078240688.db2.gz HNSGAVMJSVCYLZ-AWEZNQCLSA-N 1 1 305.378 2.331 20 5 DEBDMO CC/C=C\CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001570039107 1065897636 /nfs/dbraw/zinc/89/76/36/1065897636.db2.gz FGBNVRZMVBKZRD-DYMJSYIFSA-N 1 1 323.437 2.273 20 5 DEBDMO CC(C)CC(=O)NC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001497516758 1066121490 /nfs/dbraw/zinc/12/14/90/1066121490.db2.gz CZUCUAFUALQPJK-ARJAWSKDSA-N 1 1 311.407 2.464 20 5 DEBDMO C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001628635030 1078301280 /nfs/dbraw/zinc/30/12/80/1078301280.db2.gz SLACDPNLNGJSSJ-LLVKDONJSA-N 1 1 311.769 2.001 20 5 DEBDMO Cc1cccnc1N(C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001579809142 1067427858 /nfs/dbraw/zinc/42/78/58/1067427858.db2.gz RPXCZXPOFSIENP-INIZCTEOSA-N 1 1 314.345 2.135 20 5 DEBDMO Cc1cncc(NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC001579824469 1067432504 /nfs/dbraw/zinc/43/25/04/1067432504.db2.gz CLPAHFMMWRAQHK-HNNXBMFYSA-N 1 1 300.318 2.111 20 5 DEBDMO Cc1csc(NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001579834919 1067434685 /nfs/dbraw/zinc/43/46/85/1067434685.db2.gz LVDWNICDSCTJJN-CYBMUJFWSA-N 1 1 306.347 2.172 20 5 DEBDMO C[C@@H](Nc1nn(C)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001642555253 1078759872 /nfs/dbraw/zinc/75/98/72/1078759872.db2.gz SDCCSAZLXGBJSX-VXGBXAGGSA-N 1 1 307.398 2.393 20 5 DEBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccns1 ZINC001644059432 1078826812 /nfs/dbraw/zinc/82/68/12/1078826812.db2.gz XYYKATNFBRQDCA-SECBINFHSA-N 1 1 306.347 2.341 20 5 DEBDMO C[N@H+]1CCCC[C@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001563058208 1074925383 /nfs/dbraw/zinc/92/53/83/1074925383.db2.gz VKKUYRUSFMMVAT-LLVKDONJSA-N 1 1 321.381 2.030 20 5 DEBDMO C[C@@]1(C2CC2)COCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001648553626 1075001372 /nfs/dbraw/zinc/00/13/72/1075001372.db2.gz KCFVZGIHUKMGAY-INIZCTEOSA-N 1 1 306.362 2.475 20 5 DEBDMO C[C@@]1(C2CC2)COCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001648553626 1075001378 /nfs/dbraw/zinc/00/13/78/1075001378.db2.gz KCFVZGIHUKMGAY-INIZCTEOSA-N 1 1 306.362 2.475 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@]12CC[N@@H+](C1)CCC2 ZINC001557278850 1075061124 /nfs/dbraw/zinc/06/11/24/1075061124.db2.gz LMNYWPOBSDCLLL-MRXNPFEDSA-N 1 1 321.352 2.258 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001558874769 1075107148 /nfs/dbraw/zinc/10/71/48/1075107148.db2.gz OIDBKNOEKVIZDQ-NSHDSACASA-N 1 1 311.769 2.414 20 5 DEBDMO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001559841039 1075129179 /nfs/dbraw/zinc/12/91/79/1075129179.db2.gz XHJGVFQUIDTKFP-UFBFGSQYSA-N 1 1 315.167 2.312 20 5 DEBDMO C[C@H]1[C@@H](O)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001559841039 1075129182 /nfs/dbraw/zinc/12/91/82/1075129182.db2.gz XHJGVFQUIDTKFP-UFBFGSQYSA-N 1 1 315.167 2.312 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001608182352 1077604278 /nfs/dbraw/zinc/60/42/78/1077604278.db2.gz JXRKOVASTPREGE-DOMZBBRYSA-N 1 1 305.378 2.251 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001652632394 1079889450 /nfs/dbraw/zinc/88/94/50/1079889450.db2.gz YSFBCPCRGKXNCH-ZJUUUORDSA-N 1 1 314.288 2.396 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001652632394 1079889455 /nfs/dbraw/zinc/88/94/55/1079889455.db2.gz YSFBCPCRGKXNCH-ZJUUUORDSA-N 1 1 314.288 2.396 20 5 DEBDMO Cc1noc(C[C@H]2CCC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)n1 ZINC001656289418 1080076320 /nfs/dbraw/zinc/07/63/20/1080076320.db2.gz UYILBQBJLKKPPU-LLVKDONJSA-N 1 1 321.337 2.037 20 5 DEBDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)n1 ZINC001656289418 1080076329 /nfs/dbraw/zinc/07/63/29/1080076329.db2.gz UYILBQBJLKKPPU-LLVKDONJSA-N 1 1 321.337 2.037 20 5 DEBDMO C[N@H+](CCNC(=O)C=C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001266267769 1081928309 /nfs/dbraw/zinc/92/83/09/1081928309.db2.gz OEBOCTLMEVZXAT-UHFFFAOYSA-N 1 1 303.362 2.253 20 5 DEBDMO C[N@@H+](CCNC(=O)C=C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001266267769 1081928315 /nfs/dbraw/zinc/92/83/15/1081928315.db2.gz OEBOCTLMEVZXAT-UHFFFAOYSA-N 1 1 303.362 2.253 20 5 DEBDMO C[C@H]1C[N@@H+](C2CC2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001648854724 1082107732 /nfs/dbraw/zinc/10/77/32/1082107732.db2.gz GDLACHDHPIHCIG-JTQLQIEISA-N 1 1 307.325 2.043 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001648854724 1082107734 /nfs/dbraw/zinc/10/77/34/1082107734.db2.gz GDLACHDHPIHCIG-JTQLQIEISA-N 1 1 307.325 2.043 20 5 DEBDMO CC[N@H+]1CCC[C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001248273106 1141753134 /nfs/dbraw/zinc/75/31/34/1141753134.db2.gz JBMKPSPEHZQVIY-VIFPVBQESA-N 1 1 321.312 2.378 20 5 DEBDMO O=C(C[NH+]1CCCC1)Nc1cc(N2CCCC2)ccc1[N+](=O)[O-] ZINC001324140703 1142015055 /nfs/dbraw/zinc/01/50/55/1142015055.db2.gz VIVWQOUBQMUKRX-UHFFFAOYSA-N 1 1 318.377 2.229 20 5 DEBDMO CNc1c(C(=O)Nc2cc(C)[nH+]c(C)c2)cccc1[N+](=O)[O-] ZINC001338023753 1142820393 /nfs/dbraw/zinc/82/03/93/1142820393.db2.gz OFQFVQXCJZZJIB-UHFFFAOYSA-N 1 1 300.318 2.323 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCC[C@@H]3CO)CC2)cc1 ZINC001254476373 1143131050 /nfs/dbraw/zinc/13/10/50/1143131050.db2.gz OZFGRXNONGOAHG-QGZVFWFLSA-N 1 1 319.405 2.410 20 5 DEBDMO C[C@@H]1CC[C@H](O)C[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254473515 1143131123 /nfs/dbraw/zinc/13/11/23/1143131123.db2.gz DHIIHMXRLFXABH-DYVFJYSZSA-N 1 1 319.405 2.409 20 5 DEBDMO CC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254566353 1143250431 /nfs/dbraw/zinc/25/04/31/1143250431.db2.gz STXAMEXJUDDDSU-DOMZBBRYSA-N 1 1 305.378 2.078 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001254569107 1143253142 /nfs/dbraw/zinc/25/31/42/1143253142.db2.gz HZPWJBAHUPFERA-ZFWWWQNUSA-N 1 1 315.377 2.454 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1nc(C3CC3)no1)C2 ZINC001254576399 1143261650 /nfs/dbraw/zinc/26/16/50/1143261650.db2.gz WKFSAQRNMYSSIZ-LBPRGKRZSA-N 1 1 300.318 2.112 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@](O)(C(F)(F)F)C1)C2 ZINC001254593359 1143271765 /nfs/dbraw/zinc/27/17/65/1143271765.db2.gz LJJPFQMQSHEYIG-QWHCGFSZSA-N 1 1 316.279 2.061 20 5 DEBDMO COC(=O)[C@H](C(C)C)[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254606446 1143279380 /nfs/dbraw/zinc/27/93/80/1143279380.db2.gz GJRCTEBKCUXHKU-GJZGRUSLSA-N 1 1 306.362 2.191 20 5 DEBDMO COC(=O)[C@H](C(C)C)[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254606446 1143279394 /nfs/dbraw/zinc/27/93/94/1143279394.db2.gz GJRCTEBKCUXHKU-GJZGRUSLSA-N 1 1 306.362 2.191 20 5 DEBDMO Cc1cc(F)cc(C(=O)NC[C@@]23CC[N@@H+](C2)CCC3)c1[N+](=O)[O-] ZINC001263859103 1144414229 /nfs/dbraw/zinc/41/42/29/1144414229.db2.gz CBEGUUPUTRKIKW-MRXNPFEDSA-N 1 1 321.352 2.258 20 5 DEBDMO O=[N+]([O-])c1cccc2c1ccnc2N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001307224641 1147408416 /nfs/dbraw/zinc/40/84/16/1147408416.db2.gz LFXAFWIFHQXRQI-RYUDHWBXSA-N 1 1 316.336 2.375 20 5 DEBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001308060979 1147445073 /nfs/dbraw/zinc/44/50/73/1147445073.db2.gz RBTCDRRZDAVLGY-GFCCVEGCSA-N 1 1 323.349 2.486 20 5 DEBDMO O=C(NCCC[N@@H+](CC1=CCCCC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316915431 1147630667 /nfs/dbraw/zinc/63/06/67/1147630667.db2.gz QSVLPDZDYNSCQT-HZPDHXFCSA-N 1 1 321.421 2.123 20 5 DEBDMO O=C(NCCC[N@H+](CC1=CCCCC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001316915431 1147630669 /nfs/dbraw/zinc/63/06/69/1147630669.db2.gz QSVLPDZDYNSCQT-HZPDHXFCSA-N 1 1 321.421 2.123 20 5 DEBDMO O=C(NCCC[N@@H+](CC1=CCCCC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001316915431 1147630671 /nfs/dbraw/zinc/63/06/71/1147630671.db2.gz QSVLPDZDYNSCQT-HZPDHXFCSA-N 1 1 321.421 2.123 20 5 DEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1cccc(F)c1[N+](=O)[O-] ZINC000278663301 214309525 /nfs/dbraw/zinc/30/95/25/214309525.db2.gz BYXBJIDNTYSMQK-GFCCVEGCSA-N 1 1 323.368 2.423 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000278721247 214352670 /nfs/dbraw/zinc/35/26/70/214352670.db2.gz POSOJZLDJKIQDM-RYUDHWBXSA-N 1 1 315.377 2.188 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272775610 210179284 /nfs/dbraw/zinc/17/92/84/210179284.db2.gz CYOPYJYCVKFGSZ-UHFFFAOYSA-N 1 1 324.381 2.457 20 5 DEBDMO C[N@@H+](CCCNC(=O)CCC(C)(C)[N+](=O)[O-])Cc1ccccc1 ZINC000294580525 529889131 /nfs/dbraw/zinc/88/91/31/529889131.db2.gz XZNUUKSFMAKTDH-UHFFFAOYSA-N 1 1 321.421 2.460 20 5 DEBDMO CCCn1cc[nH+]c1CCCN(C)c1c([N+](=O)[O-])c(C)nn1C ZINC000192235812 282339903 /nfs/dbraw/zinc/33/99/03/282339903.db2.gz UYFVNUJJLLBLPD-UHFFFAOYSA-N 1 1 320.397 2.312 20 5 DEBDMO C[N@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c(N)c1F)CC2 ZINC000614976609 362504597 /nfs/dbraw/zinc/50/45/97/362504597.db2.gz SANATFOAPXTFEG-UHFFFAOYSA-N 1 1 308.357 2.381 20 5 DEBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000615237559 362564010 /nfs/dbraw/zinc/56/40/10/362564010.db2.gz BVUSGVRZMRABOQ-HNNXBMFYSA-N 1 1 305.334 2.473 20 5 DEBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000279560104 214965273 /nfs/dbraw/zinc/96/52/73/214965273.db2.gz RTDAJLMXIWQBJT-OAHLLOKOSA-N 1 1 303.362 2.180 20 5 DEBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000615845109 362715466 /nfs/dbraw/zinc/71/54/66/362715466.db2.gz UVWSJDRKRRXFPO-DOZJDAHKSA-N 1 1 315.373 2.194 20 5 DEBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000615845109 362715467 /nfs/dbraw/zinc/71/54/67/362715467.db2.gz UVWSJDRKRRXFPO-DOZJDAHKSA-N 1 1 315.373 2.194 20 5 DEBDMO C[C@H]1OCC[C@]12C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000279676002 215053614 /nfs/dbraw/zinc/05/36/14/215053614.db2.gz DWDAGYPIVJRYKT-CPUCHLNUSA-N 1 1 320.389 2.406 20 5 DEBDMO O=C(NCC[N@H+]1CC=CCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000279910736 215229576 /nfs/dbraw/zinc/22/95/76/215229576.db2.gz FLDTYNKDHUWELW-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000279910736 215229577 /nfs/dbraw/zinc/22/95/77/215229577.db2.gz FLDTYNKDHUWELW-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCC(F)(F)CC1 ZINC000287056290 219290492 /nfs/dbraw/zinc/29/04/92/219290492.db2.gz UQKOTUKSYUWESG-UHFFFAOYSA-N 1 1 315.320 2.266 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000139360227 186021785 /nfs/dbraw/zinc/02/17/85/186021785.db2.gz ZFGHJRVKCUWWIH-QWHCGFSZSA-N 1 1 321.377 2.341 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)[N@H+]1C ZINC000141957273 186031526 /nfs/dbraw/zinc/03/15/26/186031526.db2.gz GIFIEWGUJGSYRG-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)[N@@H+]1C ZINC000141957273 186031528 /nfs/dbraw/zinc/03/15/28/186031528.db2.gz GIFIEWGUJGSYRG-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000155686601 186102949 /nfs/dbraw/zinc/10/29/49/186102949.db2.gz BHBZKDCKRINEKD-DNMVVKLTSA-N 1 1 303.362 2.159 20 5 DEBDMO C[N@H+]1CC[C@]2(C1)CCCN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000595506453 358468826 /nfs/dbraw/zinc/46/88/26/358468826.db2.gz CPNQEBLGFVSCLH-KRWDZBQOSA-N 1 1 319.405 2.391 20 5 DEBDMO O=C([C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000331748483 234077250 /nfs/dbraw/zinc/07/72/50/234077250.db2.gz YJUCNXACYAIDGX-HNNXBMFYSA-N 1 1 317.389 2.429 20 5 DEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173154334 198189974 /nfs/dbraw/zinc/18/99/74/198189974.db2.gz BVCFIMQWLWPXTP-LBPRGKRZSA-N 1 1 316.361 2.474 20 5 DEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(OC)cc1 ZINC000174822808 198390000 /nfs/dbraw/zinc/39/00/00/198390000.db2.gz NCEZDHUQPMCXLS-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000017281853 354040634 /nfs/dbraw/zinc/04/06/34/354040634.db2.gz GRQRNDYFBFMQDQ-LBPRGKRZSA-N 1 1 320.393 2.370 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000046955697 354299067 /nfs/dbraw/zinc/29/90/67/354299067.db2.gz DVDZAOWFNPJMLD-LBPRGKRZSA-N 1 1 306.366 2.367 20 5 DEBDMO Cc1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000046995841 354300744 /nfs/dbraw/zinc/30/07/44/354300744.db2.gz BPUATGGIPSDQAF-UKRRQHHQSA-N 1 1 303.362 2.260 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000048270504 354347377 /nfs/dbraw/zinc/34/73/77/354347377.db2.gz DKGUXPJGVADKBF-TXEJJXNPSA-N 1 1 309.366 2.286 20 5 DEBDMO CNC(=O)c1ccc(NCCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000053560387 354438387 /nfs/dbraw/zinc/43/83/87/354438387.db2.gz BTSBXJSCQVYGAJ-UHFFFAOYSA-N 1 1 308.382 2.097 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](CC)C(C)C)c1 ZINC000338536216 283033552 /nfs/dbraw/zinc/03/35/52/283033552.db2.gz LRYRNHPSNHYERV-UHFFFAOYSA-N 1 1 323.393 2.454 20 5 DEBDMO C[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000072769684 354919635 /nfs/dbraw/zinc/91/96/35/354919635.db2.gz UEAQNUHUEQUUNO-NXEZZACHSA-N 1 1 309.391 2.020 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000072874799 354927767 /nfs/dbraw/zinc/92/77/67/354927767.db2.gz WOUVVACLGFBSFE-LLVKDONJSA-N 1 1 305.334 2.377 20 5 DEBDMO Cc1cnc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000074772796 355048989 /nfs/dbraw/zinc/04/89/89/355048989.db2.gz LZLYIEXGKUIGOB-CQSZACIVSA-N 1 1 304.394 2.466 20 5 DEBDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000078641574 355272419 /nfs/dbraw/zinc/27/24/19/355272419.db2.gz OTQISOLLZSYOED-LBPRGKRZSA-N 1 1 303.362 2.117 20 5 DEBDMO Cc1[nH+]ccn1CCCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000078336085 355253807 /nfs/dbraw/zinc/25/38/07/355253807.db2.gz SCZUKSRSHUHDDA-UHFFFAOYSA-N 1 1 317.349 2.091 20 5 DEBDMO C[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCCCC1 ZINC000078915191 355286057 /nfs/dbraw/zinc/28/60/57/355286057.db2.gz WQKMQQVHJIDCAC-UHFFFAOYSA-N 1 1 308.382 2.307 20 5 DEBDMO CCN1CC[NH+](CCCNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088700813 355518347 /nfs/dbraw/zinc/51/83/47/355518347.db2.gz JJXPRRDZMIYEJG-UHFFFAOYSA-N 1 1 306.410 2.343 20 5 DEBDMO Cc1cccc(NCCNC(=O)c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000126233848 355815436 /nfs/dbraw/zinc/81/54/36/355815436.db2.gz ZSIYWMPYQNSWOF-UHFFFAOYSA-N 1 1 300.318 2.140 20 5 DEBDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000136326232 355867965 /nfs/dbraw/zinc/86/79/65/355867965.db2.gz BEKGYLLKNYIFAN-RYUDHWBXSA-N 1 1 322.361 2.054 20 5 DEBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136992623 355868782 /nfs/dbraw/zinc/86/87/82/355868782.db2.gz FKIAESUYJZGINB-LLVKDONJSA-N 1 1 323.780 2.462 20 5 DEBDMO COC(=O)[C@H](C)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171298765 355999958 /nfs/dbraw/zinc/99/99/58/355999958.db2.gz GETMVTZLXRGKLG-GFCCVEGCSA-N 1 1 322.361 2.247 20 5 DEBDMO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695773 356210172 /nfs/dbraw/zinc/21/01/72/356210172.db2.gz UDRKYFOSIHYLMI-KBPBESRZSA-N 1 1 321.425 2.034 20 5 DEBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255740092 356338254 /nfs/dbraw/zinc/33/82/54/356338254.db2.gz IDEYPYZRQSHNJN-UYZDIKGJSA-N 1 1 315.373 2.351 20 5 DEBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255740092 356338259 /nfs/dbraw/zinc/33/82/59/356338259.db2.gz IDEYPYZRQSHNJN-UYZDIKGJSA-N 1 1 315.373 2.351 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000081362511 192257237 /nfs/dbraw/zinc/25/72/37/192257237.db2.gz UHRAUGZHVYJSEW-ZDUSSCGKSA-N 1 1 305.378 2.399 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000581989563 357279642 /nfs/dbraw/zinc/27/96/42/357279642.db2.gz WNORWWISCPIUCU-VBNZEHGJSA-N 1 1 317.389 2.156 20 5 DEBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[N@@H+](CC3CC3)C2)s1 ZINC000587973643 357384241 /nfs/dbraw/zinc/38/42/41/357384241.db2.gz BLCSPNPPEHNKHE-SNVBAGLBSA-N 1 1 319.390 2.496 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000590522921 357553663 /nfs/dbraw/zinc/55/36/63/357553663.db2.gz HBCQEXAGZJRUCB-CQSZACIVSA-N 1 1 305.378 2.323 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000590522921 357553666 /nfs/dbraw/zinc/55/36/66/357553666.db2.gz HBCQEXAGZJRUCB-CQSZACIVSA-N 1 1 305.378 2.323 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000591004644 357658863 /nfs/dbraw/zinc/65/88/63/357658863.db2.gz FIGYSZPZQGMGPI-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000591004644 357658868 /nfs/dbraw/zinc/65/88/68/357658868.db2.gz FIGYSZPZQGMGPI-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO Cn1cc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000591348109 357709593 /nfs/dbraw/zinc/70/95/93/357709593.db2.gz LEVIUGOAVAEVAV-OAHLLOKOSA-N 1 1 301.350 2.281 20 5 DEBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCCN1 ZINC000591275605 357697519 /nfs/dbraw/zinc/69/75/19/357697519.db2.gz IPKGUQJNSHLWKU-JSGCOSHPSA-N 1 1 320.393 2.044 20 5 DEBDMO COc1ccc(OCC[N@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000592133998 357837174 /nfs/dbraw/zinc/83/71/74/357837174.db2.gz FRFUCWXTYRMNMW-CQSZACIVSA-N 1 1 324.377 2.482 20 5 DEBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000179241432 199004378 /nfs/dbraw/zinc/00/43/78/199004378.db2.gz KSVYHVWDBXDRTJ-PXCJXSSVSA-N 1 1 308.378 2.111 20 5 DEBDMO CC(C)OC1CC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000459365309 283299425 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C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC000053349582 402054869 /nfs/dbraw/zinc/05/48/69/402054869.db2.gz KMJHSYLOHRRODP-UHFFFAOYSA-N 1 1 303.318 2.050 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055400537 402081339 /nfs/dbraw/zinc/08/13/39/402081339.db2.gz HGGMCJZNMJQKHS-QWHCGFSZSA-N 1 1 305.378 2.445 20 5 DEBDMO C[C@@H](O)C[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123010228 402105915 /nfs/dbraw/zinc/10/59/15/402105915.db2.gz MWYZZXAOPLZTGG-MRVPVSSYSA-N 1 1 303.156 2.170 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000123036441 402107057 /nfs/dbraw/zinc/10/70/57/402107057.db2.gz DMTYLCHYSNXKFW-GHMZBOCLSA-N 1 1 307.350 2.415 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000152872389 402113836 /nfs/dbraw/zinc/11/38/36/402113836.db2.gz IMFRXCOXGVPXLF-CHWSQXEVSA-N 1 1 321.377 2.077 20 5 DEBDMO C[N@@H+](CCNC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000103716496 402193300 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DEBDMO CC[C@H]1[C@@H](C)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185603652 402364956 /nfs/dbraw/zinc/36/49/56/402364956.db2.gz VSXZUBPKRZZKBM-NOLJZWGESA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177084030 402367969 /nfs/dbraw/zinc/36/79/69/402367969.db2.gz JLZYTVQLPTXCCS-GXSJLCMTSA-N 1 1 307.325 2.089 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177083988 402368020 /nfs/dbraw/zinc/36/80/20/402368020.db2.gz JLZYTVQLPTXCCS-KOLCDFICSA-N 1 1 307.325 2.089 20 5 DEBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000161490506 402389070 /nfs/dbraw/zinc/38/90/70/402389070.db2.gz VYECXIRUPJATDV-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000161689493 402395888 /nfs/dbraw/zinc/39/58/88/402395888.db2.gz PACSEAMLCPFGFP-NSHDSACASA-N 1 1 311.407 2.364 20 5 DEBDMO Cc1c([C@@H](C)[NH2+]CCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000162524119 402423214 /nfs/dbraw/zinc/42/32/14/402423214.db2.gz VWCIOYSLGMXPQV-OAHLLOKOSA-N 1 1 320.437 2.191 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1CCCOC1 ZINC000245499560 402465851 /nfs/dbraw/zinc/46/58/51/402465851.db2.gz YISSRRFFFSXBDW-CHWSQXEVSA-N 1 1 321.377 2.280 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000247213082 402560017 /nfs/dbraw/zinc/56/00/17/402560017.db2.gz CHLLDXLYBTZEPM-WHHBIATBSA-N 1 1 317.389 2.407 20 5 DEBDMO CC(C)(NC(=O)c1csc(C[NH3+])n1)c1ccc([N+](=O)[O-])cc1 ZINC000178629652 402519450 /nfs/dbraw/zinc/51/94/50/402519450.db2.gz DQANYDKIWVCVLX-UHFFFAOYSA-N 1 1 320.374 2.175 20 5 DEBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1C ZINC000249388051 402627972 /nfs/dbraw/zinc/62/79/72/402627972.db2.gz QFDRVNNBUCFYGJ-SNPRPXQTSA-N 1 1 310.398 2.053 20 5 DEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180778985 402626012 /nfs/dbraw/zinc/62/60/12/402626012.db2.gz WBEHMQIRXSZLPC-LBPRGKRZSA-N 1 1 320.393 2.171 20 5 DEBDMO Cc1occc1C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182221208 402673426 /nfs/dbraw/zinc/67/34/26/402673426.db2.gz TWVQAOMXYQMMTN-AWEZNQCLSA-N 1 1 320.345 2.368 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000254967897 402673571 /nfs/dbraw/zinc/67/35/71/402673571.db2.gz CESCYOOMGOAEKW-LJTDUEICSA-N 1 1 303.362 2.066 20 5 DEBDMO CC[NH+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000192751799 402748213 /nfs/dbraw/zinc/74/82/13/402748213.db2.gz DJFOLLVFGMHPQD-UHFFFAOYSA-N 1 1 309.391 2.094 20 5 DEBDMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC12CCC2 ZINC000271399683 402866746 /nfs/dbraw/zinc/86/67/46/402866746.db2.gz WSSBNPNSXSMHHR-ZDUSSCGKSA-N 1 1 305.378 2.269 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000291724319 404493388 /nfs/dbraw/zinc/49/33/88/404493388.db2.gz JFDSNMVFSFTVTR-AWEZNQCLSA-N 1 1 302.334 2.117 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000278559135 402868237 /nfs/dbraw/zinc/86/82/37/402868237.db2.gz WKZJQDILQGWFAA-IINYFYTJSA-N 1 1 301.350 2.002 20 5 DEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000278823141 402875270 /nfs/dbraw/zinc/87/52/70/402875270.db2.gz PRKQXAWDBFDYJJ-CYBMUJFWSA-N 1 1 305.378 2.284 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000264465131 402881381 /nfs/dbraw/zinc/88/13/81/402881381.db2.gz LRDXVGSUMVPGNR-BETUJISGSA-N 1 1 308.382 2.209 20 5 DEBDMO CCC(C)(C)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000265181480 402898756 /nfs/dbraw/zinc/89/87/56/402898756.db2.gz GPVMBWYEDSSLSK-UHFFFAOYSA-N 1 1 323.349 2.382 20 5 DEBDMO CC(C)[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265796090 402951060 /nfs/dbraw/zinc/95/10/60/402951060.db2.gz MRYGQTKYEBEMPQ-UHFFFAOYSA-N 1 1 319.405 2.425 20 5 DEBDMO CO[C@@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000279207724 402916459 /nfs/dbraw/zinc/91/64/59/402916459.db2.gz BKUBYUITEPVIKF-INIZCTEOSA-N 1 1 322.361 2.462 20 5 DEBDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000279207724 402916461 /nfs/dbraw/zinc/91/64/61/402916461.db2.gz BKUBYUITEPVIKF-INIZCTEOSA-N 1 1 322.361 2.462 20 5 DEBDMO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280372567 402993461 /nfs/dbraw/zinc/99/34/61/402993461.db2.gz VJOZENAJEZAACV-JUALTMEFSA-N 1 1 318.373 2.488 20 5 DEBDMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280372567 402993464 /nfs/dbraw/zinc/99/34/64/402993464.db2.gz VJOZENAJEZAACV-JUALTMEFSA-N 1 1 318.373 2.488 20 5 DEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CC(C)(C)O ZINC000267142593 403019241 /nfs/dbraw/zinc/01/92/41/403019241.db2.gz IZUPKCIKIJDUGL-SNVBAGLBSA-N 1 1 320.349 2.409 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CC[C@H]21 ZINC000268830220 403119141 /nfs/dbraw/zinc/11/91/41/403119141.db2.gz MEFORXURZZVHNG-GHMZBOCLSA-N 1 1 321.406 2.225 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000275845861 403127759 /nfs/dbraw/zinc/12/77/59/403127759.db2.gz QUDMVYVYRSHEFR-ZDUSSCGKSA-N 1 1 307.394 2.185 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000269663567 403155223 /nfs/dbraw/zinc/15/52/23/403155223.db2.gz REPSGDNTDXPBOE-HIFRSBDPSA-N 1 1 316.361 2.231 20 5 DEBDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998483 403237787 /nfs/dbraw/zinc/23/77/87/403237787.db2.gz HSFOOKBSJGZVQR-NILFDRSVSA-N 1 1 304.394 2.454 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)[C@H](C)CC)c1 ZINC000283644916 403212271 /nfs/dbraw/zinc/21/22/71/403212271.db2.gz CMIIOUIBOQQRNJ-GFCCVEGCSA-N 1 1 323.393 2.454 20 5 DEBDMO C[C@@H](CO)[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000276453027 403176403 /nfs/dbraw/zinc/17/64/03/403176403.db2.gz NGWXAIFBOHYGDF-BLLLJJGKSA-N 1 1 308.378 2.254 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000330643125 403296887 /nfs/dbraw/zinc/29/68/87/403296887.db2.gz XTXQYFLIXDJXMY-QWHCGFSZSA-N 1 1 305.378 2.078 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284736090 403271746 /nfs/dbraw/zinc/27/17/46/403271746.db2.gz KPLNZRNYSPTYTJ-JQFCIGGWSA-N 1 1 319.405 2.369 20 5 DEBDMO C[C@H]1[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCC[N@H+]1C ZINC000345332621 403290039 /nfs/dbraw/zinc/29/00/39/403290039.db2.gz YUJJKZHSXSTCTM-IINYFYTJSA-N 1 1 316.361 2.289 20 5 DEBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2O1 ZINC000292311385 403351248 /nfs/dbraw/zinc/35/12/48/403351248.db2.gz DSOJWAKVIWDWHY-GFCCVEGCSA-N 1 1 302.334 2.074 20 5 DEBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2O1 ZINC000292311385 403351253 /nfs/dbraw/zinc/35/12/53/403351253.db2.gz DSOJWAKVIWDWHY-GFCCVEGCSA-N 1 1 302.334 2.074 20 5 DEBDMO CSc1cccc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000331156614 403342061 /nfs/dbraw/zinc/34/20/61/403342061.db2.gz VTGWKBYWTZXNEZ-LLVKDONJSA-N 1 1 323.418 2.340 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(c3nc4sccn4c3[N+](=O)[O-])C2)C1 ZINC000292683309 403374554 /nfs/dbraw/zinc/37/45/54/403374554.db2.gz DTIMGDCDEFKIAK-AWEZNQCLSA-N 1 1 321.406 2.226 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1C ZINC000342934997 403402535 /nfs/dbraw/zinc/40/25/35/403402535.db2.gz QFOZEVVXEFGRLF-MNOVXSKESA-N 1 1 316.361 2.289 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000331687221 403451995 /nfs/dbraw/zinc/45/19/95/403451995.db2.gz VRSJCSVAIDCVKA-LLVKDONJSA-N 1 1 316.361 2.242 20 5 DEBDMO CN(C)CC[NH+]1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286221714 403474911 /nfs/dbraw/zinc/47/49/11/403474911.db2.gz STZYAENZGRUHJG-UHFFFAOYSA-N 1 1 310.373 2.172 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000293996116 403619794 /nfs/dbraw/zinc/61/97/94/403619794.db2.gz WVMPKMPXKJQZFS-OAHLLOKOSA-N 1 1 323.780 2.416 20 5 DEBDMO Cc1cc(NC[C@@H](CC(C)C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000301430009 403628171 /nfs/dbraw/zinc/62/81/71/403628171.db2.gz JFWGKLZHXNFFDD-CQSZACIVSA-N 1 1 322.409 2.457 20 5 DEBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000347294443 403652943 /nfs/dbraw/zinc/65/29/43/403652943.db2.gz XFFDWQWDINTWQJ-DGCLKSJQSA-N 1 1 322.340 2.482 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347322182 403663231 /nfs/dbraw/zinc/66/32/31/403663231.db2.gz YYKDXUBIWKBJJP-JTQLQIEISA-N 1 1 310.329 2.197 20 5 DEBDMO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000343614683 403663766 /nfs/dbraw/zinc/66/37/66/403663766.db2.gz CIYKDLWEACJPFW-QWHCGFSZSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000343614683 403663771 /nfs/dbraw/zinc/66/37/71/403663771.db2.gz CIYKDLWEACJPFW-QWHCGFSZSA-N 1 1 321.377 2.423 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)NC(C)C ZINC000347335556 403668415 /nfs/dbraw/zinc/66/84/15/403668415.db2.gz KLKWAWQPAZGCCE-MDWZMJQESA-N 1 1 305.378 2.455 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(=O)NC(C)C ZINC000347335556 403668418 /nfs/dbraw/zinc/66/84/18/403668418.db2.gz KLKWAWQPAZGCCE-MDWZMJQESA-N 1 1 305.378 2.455 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCNC(=O)N(C)C ZINC000347378630 403686698 /nfs/dbraw/zinc/68/66/98/403686698.db2.gz PUKYNPWFYIYBRH-RAXLEYEMSA-N 1 1 320.393 2.201 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301951104 403705005 /nfs/dbraw/zinc/70/50/05/403705005.db2.gz ZYRAOOISTRCWIW-LBPRGKRZSA-N 1 1 318.381 2.314 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000294104703 403648828 /nfs/dbraw/zinc/64/88/28/403648828.db2.gz KVXHMTAYHRNXEI-CQSZACIVSA-N 1 1 309.391 2.214 20 5 DEBDMO CCOC1CC([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000347447355 403712769 /nfs/dbraw/zinc/71/27/69/403712769.db2.gz IPFBDUFKNBWBSN-UHFFFAOYSA-N 1 1 324.377 2.482 20 5 DEBDMO C[C@@H](C1CCC1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343758003 403721475 /nfs/dbraw/zinc/72/14/75/403721475.db2.gz GWYZZXUGPQLQIW-JSGCOSHPSA-N 1 1 308.378 2.455 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000295299089 403840090 /nfs/dbraw/zinc/84/00/90/403840090.db2.gz JFAODZVZRQSRLH-ZDUSSCGKSA-N 1 1 317.389 2.460 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000362407026 403953653 /nfs/dbraw/zinc/95/36/53/403953653.db2.gz YSPHWMABEWQLIO-LRDDRELGSA-N 1 1 303.362 2.258 20 5 DEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344284498 404030602 /nfs/dbraw/zinc/03/06/02/404030602.db2.gz PGFANXVSHUIZJB-KBPBESRZSA-N 1 1 307.325 2.091 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344284501 404030630 /nfs/dbraw/zinc/03/06/30/404030630.db2.gz PGFANXVSHUIZJB-ZIAGYGMSSA-N 1 1 307.325 2.091 20 5 DEBDMO COc1cc(C[N@@H+]2CC[C@H](CO)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000344190906 403968384 /nfs/dbraw/zinc/96/83/84/403968384.db2.gz XRYBJQLYOLWVNG-MNOVXSKESA-N 1 1 312.341 2.335 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@H](CO)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000344190906 403968386 /nfs/dbraw/zinc/96/83/86/403968386.db2.gz XRYBJQLYOLWVNG-MNOVXSKESA-N 1 1 312.341 2.335 20 5 DEBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000412074762 404112642 /nfs/dbraw/zinc/11/26/42/404112642.db2.gz IUDHHHDWISISSJ-QWHCGFSZSA-N 1 1 321.377 2.016 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000344426246 404129665 /nfs/dbraw/zinc/12/96/65/404129665.db2.gz PMWXDQNZPUJWHN-BETUJISGSA-N 1 1 305.378 2.458 20 5 DEBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)(C)CN1CCOCC1 ZINC000412096912 404130896 /nfs/dbraw/zinc/13/08/96/404130896.db2.gz UXEINPDXQFRGAD-UHFFFAOYSA-N 1 1 321.421 2.180 20 5 DEBDMO COc1ccc(C2([NH2+]Cc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000341710033 404126119 /nfs/dbraw/zinc/12/61/19/404126119.db2.gz VRRRIXSJMJCLJO-UHFFFAOYSA-N 1 1 302.334 2.116 20 5 DEBDMO COC(=O)[C@]1(C)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000412110598 404140954 /nfs/dbraw/zinc/14/09/54/404140954.db2.gz VARSLJPXLWAGIR-MRXNPFEDSA-N 1 1 322.361 2.249 20 5 DEBDMO CC[N@@H+](CCC1CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000355064438 404191633 /nfs/dbraw/zinc/19/16/33/404191633.db2.gz SFLWFBBKOISBTJ-AWEZNQCLSA-N 1 1 308.378 2.457 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000341827004 404197784 /nfs/dbraw/zinc/19/77/84/404197784.db2.gz UGFYEWZTIOUISU-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000341827004 404197788 /nfs/dbraw/zinc/19/77/88/404197788.db2.gz UGFYEWZTIOUISU-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO C[C@@H](NC(=O)N1CC[N@@H+](C)CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341912015 404250647 /nfs/dbraw/zinc/25/06/47/404250647.db2.gz AGSPSAIRHIZIBI-CHWSQXEVSA-N 1 1 320.393 2.391 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000290718151 404283487 /nfs/dbraw/zinc/28/34/87/404283487.db2.gz YJXYTQUBZNDIGB-JTQLQIEISA-N 1 1 319.365 2.386 20 5 DEBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCOC1 ZINC000352228912 404230686 /nfs/dbraw/zinc/23/06/86/404230686.db2.gz BKAHMBTUVNVQDC-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCOC1 ZINC000352228912 404230695 /nfs/dbraw/zinc/23/06/95/404230695.db2.gz BKAHMBTUVNVQDC-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO C[C@@H](NC(=O)N1CC[N@@H+](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000355425352 404334695 /nfs/dbraw/zinc/33/46/95/404334695.db2.gz SXYLXGXBMZHDMN-QWHCGFSZSA-N 1 1 320.393 2.391 20 5 DEBDMO Cn1cncc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352479339 404399104 /nfs/dbraw/zinc/39/91/04/404399104.db2.gz DPCWAOYBRCMKPC-UHFFFAOYSA-N 1 1 312.276 2.220 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3cncn3)CC2)c(F)c1 ZINC000352695539 404555934 /nfs/dbraw/zinc/55/59/34/404555934.db2.gz ZOIRXRFQHSOGKC-UHFFFAOYSA-N 1 1 305.313 2.163 20 5 DEBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352894495 404684689 /nfs/dbraw/zinc/68/46/89/404684689.db2.gz SWKSYAHWHKTCRV-STQMWFEESA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352894495 404684693 /nfs/dbraw/zinc/68/46/93/404684693.db2.gz SWKSYAHWHKTCRV-STQMWFEESA-N 1 1 323.368 2.029 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000356771391 404686739 /nfs/dbraw/zinc/68/67/39/404686739.db2.gz CUAHCZINQWHABD-AWEZNQCLSA-N 1 1 304.394 2.466 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000330586824 404693561 /nfs/dbraw/zinc/69/35/61/404693561.db2.gz SVIWIJQPTUAWMM-BETUJISGSA-N 1 1 322.409 2.031 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356869830 404712282 /nfs/dbraw/zinc/71/22/82/404712282.db2.gz IDYWSGMIBPBIJO-NEPJUHHUSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356869830 404712286 /nfs/dbraw/zinc/71/22/86/404712286.db2.gz IDYWSGMIBPBIJO-NEPJUHHUSA-N 1 1 321.377 2.158 20 5 DEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000376189809 404816128 /nfs/dbraw/zinc/81/61/28/404816128.db2.gz UCDRJMZPOZLDKQ-KGLIPLIRSA-N 1 1 319.361 2.073 20 5 DEBDMO CCc1nn(C)c(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000360959759 404862502 /nfs/dbraw/zinc/86/25/02/404862502.db2.gz HWDVGMCGYJPXPC-VXGBXAGGSA-N 1 1 309.414 2.423 20 5 DEBDMO Cc1ccc(C[N@@H+](C)CCN2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000435061069 404954686 /nfs/dbraw/zinc/95/46/86/404954686.db2.gz WZFXMEUUNUEDIT-UHFFFAOYSA-N 1 1 321.421 2.446 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000408071733 405104319 /nfs/dbraw/zinc/10/43/19/405104319.db2.gz LCOATZFANJQZJG-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000408071733 405104322 /nfs/dbraw/zinc/10/43/22/405104322.db2.gz LCOATZFANJQZJG-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+]1C ZINC000408091939 405110062 /nfs/dbraw/zinc/11/00/62/405110062.db2.gz YEVWUZPYBFCZOO-MNOVXSKESA-N 1 1 316.361 2.241 20 5 DEBDMO CC[N@@H+](C[C@H](C)OC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361574282 405139007 /nfs/dbraw/zinc/13/90/07/405139007.db2.gz ULDDHDCKQZYMKE-RYUDHWBXSA-N 1 1 309.366 2.279 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000452125226 405185326 /nfs/dbraw/zinc/18/53/26/405185326.db2.gz XNQBNDKDUBJNSR-CQSZACIVSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CCCO)C1 ZINC000452137158 405191879 /nfs/dbraw/zinc/19/18/79/405191879.db2.gz ZKBPIJRQEJETOO-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO COc1c(C(=O)NCCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000354394678 405192433 /nfs/dbraw/zinc/19/24/33/405192433.db2.gz RKOOYPDPAJJIRH-UHFFFAOYSA-N 1 1 309.366 2.064 20 5 DEBDMO C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000354401881 405195461 /nfs/dbraw/zinc/19/54/61/405195461.db2.gz XPRVUSDXXKKCSO-RYUDHWBXSA-N 1 1 320.393 2.170 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331096 405322296 /nfs/dbraw/zinc/32/22/96/405322296.db2.gz QPCUGOJONOOBLQ-UKRRQHHQSA-N 1 1 319.405 2.343 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C[NH3+])C(C)(C)C ZINC000420360251 405331077 /nfs/dbraw/zinc/33/10/77/405331077.db2.gz KWOXVQHGNJLQGR-CQSZACIVSA-N 1 1 322.409 2.195 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3ncsc3C2)c1 ZINC000445848918 405358391 /nfs/dbraw/zinc/35/83/91/405358391.db2.gz ZHWIQTUYXMLBDJ-UHFFFAOYSA-N 1 1 305.359 2.488 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3ncsc3C2)c1 ZINC000445848918 405358393 /nfs/dbraw/zinc/35/83/93/405358393.db2.gz ZHWIQTUYXMLBDJ-UHFFFAOYSA-N 1 1 305.359 2.488 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420405075 405345282 /nfs/dbraw/zinc/34/52/82/405345282.db2.gz SQLPIDBLFNFGCE-YOEHRIQHSA-N 1 1 319.405 2.438 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420405072 405345540 /nfs/dbraw/zinc/34/55/40/405345540.db2.gz SQLPIDBLFNFGCE-PBHICJAKSA-N 1 1 319.405 2.438 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000427149627 405391963 /nfs/dbraw/zinc/39/19/63/405391963.db2.gz IMMUUXRNVUEPNU-CQSZACIVSA-N 1 1 321.377 2.016 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000427391780 405403398 /nfs/dbraw/zinc/40/33/98/405403398.db2.gz PKDAEDLCXQNSFS-NEPJUHHUSA-N 1 1 321.377 2.158 20 5 DEBDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000420932733 405408753 /nfs/dbraw/zinc/40/87/53/405408753.db2.gz FIQRPEWPMSFFIL-WDEREUQCSA-N 1 1 305.334 2.186 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426482467 405362756 /nfs/dbraw/zinc/36/27/56/405362756.db2.gz LFSLZPPOUBYWKH-RISCZKNCSA-N 1 1 319.361 2.416 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1CCC[N@H+]1CCCO ZINC000449385081 405535638 /nfs/dbraw/zinc/53/56/38/405535638.db2.gz DOOHVLKOMUQASX-LERPRCHQSA-N 1 1 319.405 2.044 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1CCC[N@@H+]1CCCO ZINC000449385081 405535641 /nfs/dbraw/zinc/53/56/41/405535641.db2.gz DOOHVLKOMUQASX-LERPRCHQSA-N 1 1 319.405 2.044 20 5 DEBDMO C[C@@H]1C[C@@H](C)N(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422625625 405674236 /nfs/dbraw/zinc/67/42/36/405674236.db2.gz CAWYXEWKIYOTJX-MGPQQGTHSA-N 1 1 307.394 2.279 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000421764993 405635591 /nfs/dbraw/zinc/63/55/91/405635591.db2.gz XOODYROKFMSRFC-GFCCVEGCSA-N 1 1 305.378 2.424 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000421767913 405637466 /nfs/dbraw/zinc/63/74/66/405637466.db2.gz CHDZRJLGOONKEX-ZDUSSCGKSA-N 1 1 305.378 2.378 20 5 DEBDMO CCC(N)(CC)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423288854 405750119 /nfs/dbraw/zinc/75/01/19/405750119.db2.gz VKRQGYKFHUKPKO-STQMWFEESA-N 1 1 309.414 2.382 20 5 DEBDMO C[N@H+]1CC[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000532873329 406106853 /nfs/dbraw/zinc/10/68/53/406106853.db2.gz SRAJXDFERPZKNJ-CYBMUJFWSA-N 1 1 303.362 2.038 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000533292420 406133285 /nfs/dbraw/zinc/13/32/85/406133285.db2.gz JYMIDFALLHVAAF-GHMZBOCLSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H]1C ZINC000533292420 406133292 /nfs/dbraw/zinc/13/32/92/406133292.db2.gz JYMIDFALLHVAAF-GHMZBOCLSA-N 1 1 307.350 2.272 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000533355017 406138946 /nfs/dbraw/zinc/13/89/46/406138946.db2.gz SEJMTFKZOXLECK-CHWSQXEVSA-N 1 1 318.377 2.145 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000487075810 406202602 /nfs/dbraw/zinc/20/26/02/406202602.db2.gz IMWFYIAAZPYTIY-OAHLLOKOSA-N 1 1 320.393 2.076 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000489429992 406404472 /nfs/dbraw/zinc/40/44/72/406404472.db2.gz QYHURARXHBCRHI-ZDUSSCGKSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000489429992 406404476 /nfs/dbraw/zinc/40/44/76/406404476.db2.gz QYHURARXHBCRHI-ZDUSSCGKSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CC1(C)C ZINC000489433308 406405694 /nfs/dbraw/zinc/40/56/94/406405694.db2.gz BPLXHFNWBHLPKA-ZDUSSCGKSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CC1(C)C ZINC000489433308 406405699 /nfs/dbraw/zinc/40/56/99/406405699.db2.gz BPLXHFNWBHLPKA-ZDUSSCGKSA-N 1 1 307.350 2.272 20 5 DEBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCO[C@H]1C ZINC000489444961 406406859 /nfs/dbraw/zinc/40/68/59/406406859.db2.gz ZKFVVWLYZNCCOE-GXTWGEPZSA-N 1 1 324.377 2.229 20 5 DEBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000489490031 406411781 /nfs/dbraw/zinc/41/17/81/406411781.db2.gz APXNHHNPENKARK-UONOGXRCSA-N 1 1 324.377 2.099 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCCC[C@@H]3O)C2)nc1 ZINC000571687557 406553154 /nfs/dbraw/zinc/55/31/54/406553154.db2.gz IYORSSPHCPULTP-NFAWXSAZSA-N 1 1 320.393 2.027 20 5 DEBDMO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000491794075 406723803 /nfs/dbraw/zinc/72/38/03/406723803.db2.gz JFEHZRSYKNWFRP-WHWKNOJMSA-N 1 1 315.373 2.303 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000491940679 406784758 /nfs/dbraw/zinc/78/47/58/406784758.db2.gz RBSPHOIRKZWNNK-WXJAXGNASA-N 1 1 303.362 2.066 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296577626 226011816 /nfs/dbraw/zinc/01/18/16/226011816.db2.gz DNLULKPGDJQAOS-BXUZGUMPSA-N 1 1 307.350 2.428 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296577626 226011821 /nfs/dbraw/zinc/01/18/21/226011821.db2.gz DNLULKPGDJQAOS-BXUZGUMPSA-N 1 1 307.350 2.428 20 5 DEBDMO Cc1[nH+]ccn1CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000297668003 227438138 /nfs/dbraw/zinc/43/81/38/227438138.db2.gz VLQJXUXYTGASAJ-LLVKDONJSA-N 1 1 302.334 2.286 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3nc4sccn4c3[N+](=O)[O-])[C@H]2C1 ZINC001348565091 1151170611 /nfs/dbraw/zinc/17/06/11/1151170611.db2.gz LFRLGHLRMXATPH-LPEHRKFASA-N 1 1 307.379 2.056 20 5 DEBDMO CC(C)Oc1nc(N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000566477304 424910166 /nfs/dbraw/zinc/91/01/66/424910166.db2.gz AXHCNCBKGUPOOX-QWHCGFSZSA-N 1 1 320.393 2.816 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000413434203 424944301 /nfs/dbraw/zinc/94/43/01/424944301.db2.gz FPGKFMPWDFIGSN-LBPRGKRZSA-N 1 1 315.377 2.682 20 5 DEBDMO CCC[N@H+]1CC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347404455 425011180 /nfs/dbraw/zinc/01/11/80/425011180.db2.gz WOSVZSSITFGQKV-LBPRGKRZSA-N 1 1 315.377 2.682 20 5 DEBDMO C[C@@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CC[N@H+]1C ZINC000352358987 425045676 /nfs/dbraw/zinc/04/56/76/425045676.db2.gz AQMZDQXKRRYVNM-YPMHNXCESA-N 1 1 300.362 3.038 20 5 DEBDMO C[C@H]1C[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000450353692 425069789 /nfs/dbraw/zinc/06/97/89/425069789.db2.gz GHLVRKVXNBBHNB-AAEUAGOBSA-N 1 1 300.362 3.038 20 5 DEBDMO CO[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000363670624 269068054 /nfs/dbraw/zinc/06/80/54/269068054.db2.gz FMTJSIASJUGXKV-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO CO[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000363670624 269068057 /nfs/dbraw/zinc/06/80/57/269068057.db2.gz FMTJSIASJUGXKV-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430206673 269126462 /nfs/dbraw/zinc/12/64/62/269126462.db2.gz XRWJWWWIXCUFDK-NSHDSACASA-N 1 1 322.361 2.377 20 5 DEBDMO CN1C[C@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)OC1=O ZINC000497240388 269296759 /nfs/dbraw/zinc/29/67/59/269296759.db2.gz PWGUNFSSTIBPGM-DZGCQCFKSA-N 1 1 319.361 2.225 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCCCO1 ZINC000342683525 274203706 /nfs/dbraw/zinc/20/37/06/274203706.db2.gz ZTVSDTYXJSUPRW-STQMWFEESA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCCO1 ZINC000342683525 274203709 /nfs/dbraw/zinc/20/37/09/274203709.db2.gz ZTVSDTYXJSUPRW-STQMWFEESA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000266745961 274203726 /nfs/dbraw/zinc/20/37/26/274203726.db2.gz RFXPUQHSXKYCMU-WFASDCNBSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000266745961 274203728 /nfs/dbraw/zinc/20/37/28/274203728.db2.gz RFXPUQHSXKYCMU-WFASDCNBSA-N 1 1 321.377 2.423 20 5 DEBDMO O=[N+]([O-])c1cccc2c(N3CCN(c4[nH]cc[nH+]4)CC3)ccnc21 ZINC000432154906 275039579 /nfs/dbraw/zinc/03/95/79/275039579.db2.gz ITGCCMZSHGQSOQ-UHFFFAOYSA-N 1 1 324.344 2.193 20 5 DEBDMO CC(C)c1ccc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000423690214 275732782 /nfs/dbraw/zinc/73/27/82/275732782.db2.gz NWSPRIKHTHDLKK-INIZCTEOSA-N 1 1 323.368 2.492 20 5 DEBDMO C[N@H+]1CC[C@@H]2OCCN(C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284466556 277152909 /nfs/dbraw/zinc/15/29/09/277152909.db2.gz AVPCWMFPVDILBE-UPXOEVQQSA-N 1 1 317.389 2.013 20 5 DEBDMO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000360556244 277369425 /nfs/dbraw/zinc/36/94/25/277369425.db2.gz HUUKPULEFXLTEH-DOMZBBRYSA-N 1 1 306.362 2.411 20 5 DEBDMO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000360556244 277369427 /nfs/dbraw/zinc/36/94/27/277369427.db2.gz HUUKPULEFXLTEH-DOMZBBRYSA-N 1 1 306.362 2.411 20 5 DEBDMO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000186589745 278231677 /nfs/dbraw/zinc/23/16/77/278231677.db2.gz CAOCWQDSHOCXCG-GJZGRUSLSA-N 1 1 320.437 2.271 20 5 DEBDMO CC(C)(C(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449576339 278264457 /nfs/dbraw/zinc/26/44/57/278264457.db2.gz RVJRACWBENWRIY-MRXNPFEDSA-N 1 1 323.368 2.032 20 5 DEBDMO Cc1ccc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286406383 278824326 /nfs/dbraw/zinc/82/43/26/278824326.db2.gz PYJPVHNFGPIYNE-ZIAGYGMSSA-N 1 1 305.378 2.203 20 5 DEBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000154980140 280941084 /nfs/dbraw/zinc/94/10/84/280941084.db2.gz LHVMMDJHYKLYMH-LSDHHAIUSA-N 1 1 320.437 2.190 20 5 DEBDMO C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000573035140 326013552 /nfs/dbraw/zinc/01/35/52/326013552.db2.gz FKZKGWGYNXZJRA-YNEHKIRRSA-N 1 1 305.378 2.249 20 5 DEBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000573554481 326068216 /nfs/dbraw/zinc/06/82/16/326068216.db2.gz UWQRYPAPWFKDQL-ZDUSSCGKSA-N 1 1 301.350 2.418 20 5 DEBDMO C[C@H]1CC[N@@H+](CC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000573862206 326099615 /nfs/dbraw/zinc/09/96/15/326099615.db2.gz ZRLBLKLSZNBMAA-JTQLQIEISA-N 1 1 311.769 2.206 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000583275257 337300674 /nfs/dbraw/zinc/30/06/74/337300674.db2.gz OUNWWODSTVOWLP-LBPRGKRZSA-N 1 1 316.361 2.410 20 5 DEBDMO COC(=O)Cc1ccc(N[C@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000295716332 533763347 /nfs/dbraw/zinc/76/33/47/533763347.db2.gz SQJUTWFSTZIIDV-GFCCVEGCSA-N 1 1 323.393 2.451 20 5 DEBDMO COc1cc(CN2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000442920372 533806693 /nfs/dbraw/zinc/80/66/93/533806693.db2.gz KZYLIYKCHUMJTH-GFCCVEGCSA-N 1 1 323.393 2.173 20 5 DEBDMO COc1cc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000330970964 533827435 /nfs/dbraw/zinc/82/74/35/533827435.db2.gz GSIRCSLDSLKAGJ-GHMZBOCLSA-N 1 1 311.357 2.267 20 5 DEBDMO CC(=O)c1cc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000367718703 518291948 /nfs/dbraw/zinc/29/19/48/518291948.db2.gz ZEOSOKVWOTUTCL-KBPBESRZSA-N 1 1 319.361 2.073 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338038299 519620759 /nfs/dbraw/zinc/62/07/59/519620759.db2.gz ITXPUJGXDFUBDQ-UHFFFAOYSA-N 1 1 322.409 2.119 20 5 DEBDMO CC[N@@H+](CCNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000102559267 521059393 /nfs/dbraw/zinc/05/93/93/521059393.db2.gz YWJSWHOVKKTYJY-UHFFFAOYSA-N 1 1 308.382 2.124 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000338074743 521616615 /nfs/dbraw/zinc/61/66/15/521616615.db2.gz SEKBSNIFCMLUEL-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO C[N@@H+]1CCC[C@]2(CCN(Cc3cc(O)ccc3[N+](=O)[O-])C2)C1 ZINC000339439128 523860328 /nfs/dbraw/zinc/86/03/28/523860328.db2.gz RLSRLQGTYPVETQ-INIZCTEOSA-N 1 1 305.378 2.218 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(Cc3cc(O)ccc3[N+](=O)[O-])C2)C1 ZINC000339439128 523860333 /nfs/dbraw/zinc/86/03/33/523860333.db2.gz RLSRLQGTYPVETQ-INIZCTEOSA-N 1 1 305.378 2.218 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365667018 524903234 /nfs/dbraw/zinc/90/32/34/524903234.db2.gz CXUWEWQCQJCEGF-QWHCGFSZSA-N 1 1 303.362 2.260 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCO[C@@H](C)C1 ZINC000245403190 526145708 /nfs/dbraw/zinc/14/57/08/526145708.db2.gz KRZYMUBUEJUVIA-NWDGAFQWSA-N 1 1 307.350 2.033 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCO[C@@H](C)C1 ZINC000245403190 526145715 /nfs/dbraw/zinc/14/57/15/526145715.db2.gz KRZYMUBUEJUVIA-NWDGAFQWSA-N 1 1 307.350 2.033 20 5 DEBDMO CC(C)([NH2+]CC(=O)NCC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000429234917 527289617 /nfs/dbraw/zinc/28/96/17/527289617.db2.gz ZTKNQAHPJRLJSC-UHFFFAOYSA-N 1 1 305.378 2.336 20 5 DEBDMO CC(C)[NH+](CCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000357051969 535060900 /nfs/dbraw/zinc/06/09/00/535060900.db2.gz CZESPMJORNNYLU-UHFFFAOYSA-N 1 1 323.393 2.491 20 5 DEBDMO CCN1CC[NH+](CC(C)(C)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000450921067 535673738 /nfs/dbraw/zinc/67/37/38/535673738.db2.gz DJEYYTAMLVRAEB-UHFFFAOYSA-N 1 1 306.410 2.423 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000247924945 536380106 /nfs/dbraw/zinc/38/01/06/536380106.db2.gz BNQAELSOZBOHJC-UKRRQHHQSA-N 1 1 303.362 2.151 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000493462842 536382339 /nfs/dbraw/zinc/38/23/39/536382339.db2.gz KCDZEPXEYVJROE-WUKHSURWSA-N 1 1 317.389 2.456 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000374873186 536462860 /nfs/dbraw/zinc/46/28/60/536462860.db2.gz GYKGNHYTSIHZBY-QMTHXVAHSA-N 1 1 323.780 2.414 20 5 DEBDMO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355338910 537052236 /nfs/dbraw/zinc/05/22/36/537052236.db2.gz HLGVWLXRBKBDMD-GFCCVEGCSA-N 1 1 318.377 2.400 20 5 DEBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355338910 537052238 /nfs/dbraw/zinc/05/22/38/537052238.db2.gz HLGVWLXRBKBDMD-GFCCVEGCSA-N 1 1 318.377 2.400 20 5 DEBDMO COCC(COC)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930638789 625289664 /nfs/dbraw/zinc/28/96/64/625289664.db2.gz OUZZVJRNCFAHIV-CQSZACIVSA-N 1 1 308.378 2.436 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000892732285 625508149 /nfs/dbraw/zinc/50/81/49/625508149.db2.gz XHJNUQAPRVAMNQ-LLVKDONJSA-N 1 1 308.338 2.281 20 5 DEBDMO C[C@H](CNc1c([N+](=O)[O-])cnn1C)[N@H+]1CCc2ccccc2C1 ZINC000891736782 624568926 /nfs/dbraw/zinc/56/89/26/624568926.db2.gz QELKRFDUTUHAAZ-GFCCVEGCSA-N 1 1 315.377 2.187 20 5 DEBDMO Cn1ncc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000891778746 624596798 /nfs/dbraw/zinc/59/67/98/624596798.db2.gz BEROGPUPZSEGFN-AWEZNQCLSA-N 1 1 315.377 2.405 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000891897930 624652741 /nfs/dbraw/zinc/65/27/41/624652741.db2.gz UAYORWUGZKEUFZ-XQQFMLRXSA-N 1 1 307.398 2.170 20 5 DEBDMO C[C@H](NC(=O)NCC[N@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000892112112 624784718 /nfs/dbraw/zinc/78/47/18/624784718.db2.gz PKJHTACGNSFBCL-OLZOCXBDSA-N 1 1 320.393 2.297 20 5 DEBDMO C[C@H](NC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000892113117 624785218 /nfs/dbraw/zinc/78/52/18/624785218.db2.gz WKNVDKROMGIKIX-SWLSCSKDSA-N 1 1 320.393 2.391 20 5 DEBDMO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000892329827 625126193 /nfs/dbraw/zinc/12/61/93/625126193.db2.gz CYYYEIGQHFJSIS-STQMWFEESA-N 1 1 320.393 2.092 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1Cl ZINC000836448689 650092650 /nfs/dbraw/zinc/09/26/50/650092650.db2.gz GGLGPWDMXVOWDJ-JTQLQIEISA-N 1 1 311.769 2.238 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000923317631 637107491 /nfs/dbraw/zinc/10/74/91/637107491.db2.gz AMOCODOZSIBCPK-OCCSQVGLSA-N 1 1 320.393 2.439 20 5 DEBDMO C[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000923389270 637156123 /nfs/dbraw/zinc/15/61/23/637156123.db2.gz USLVYSWEYORPLG-WQVCFCJDSA-N 1 1 307.394 2.078 20 5 DEBDMO C[N@H+]1C[C@@]2(C)CN(c3c(Cl)cncc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894800330 637213600 /nfs/dbraw/zinc/21/36/00/637213600.db2.gz CNOWDANQKDBXPD-OKILXGFUSA-N 1 1 310.785 2.421 20 5 DEBDMO C[C@H](NC(=O)NCC[N@H+]1CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000895066289 637469532 /nfs/dbraw/zinc/46/95/32/637469532.db2.gz KQPJXORZKJCWCA-OLZOCXBDSA-N 1 1 320.393 2.439 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCCCC[C@H]2CO)c1[N+](=O)[O-] ZINC000895192930 637779291 /nfs/dbraw/zinc/77/92/91/637779291.db2.gz LKMYLPURAMYMEB-LBPRGKRZSA-N 1 1 310.350 2.046 20 5 DEBDMO Cc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000895244986 637840372 /nfs/dbraw/zinc/84/03/72/637840372.db2.gz BONSFJGOSAKUOD-NHYWBVRUSA-N 1 1 310.373 2.089 20 5 DEBDMO CCOCC[N@H+](CC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742147802 638039476 /nfs/dbraw/zinc/03/94/76/638039476.db2.gz NOMQBYLGZPWWMZ-UHFFFAOYSA-N 1 1 319.365 2.169 20 5 DEBDMO CCOCC[N@@H+](CC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742147802 638039485 /nfs/dbraw/zinc/03/94/85/638039485.db2.gz NOMQBYLGZPWWMZ-UHFFFAOYSA-N 1 1 319.365 2.169 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000742572072 638078881 /nfs/dbraw/zinc/07/88/81/638078881.db2.gz PBNQIDAQFGSSDB-GFCCVEGCSA-N 1 1 303.366 2.385 20 5 DEBDMO Nc1ccc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)c([N+](=O)[O-])c1 ZINC000895569243 638093987 /nfs/dbraw/zinc/09/39/87/638093987.db2.gz LFXZCZGCBYORJQ-SMDDNHRTSA-N 1 1 308.407 2.169 20 5 DEBDMO CCOC(=O)CC[N@H+](CC1CC1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000743357590 638137571 /nfs/dbraw/zinc/13/75/71/638137571.db2.gz KSODSUSVTYYMHF-UHFFFAOYSA-N 1 1 324.381 2.031 20 5 DEBDMO CCOC(=O)CC[N@@H+](CC1CC1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000743357590 638137572 /nfs/dbraw/zinc/13/75/72/638137572.db2.gz KSODSUSVTYYMHF-UHFFFAOYSA-N 1 1 324.381 2.031 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC(NC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000841033194 650410026 /nfs/dbraw/zinc/41/00/26/650410026.db2.gz OWOJVWKDQCFYQI-OAHLLOKOSA-N 1 1 318.421 2.295 20 5 DEBDMO Cc1nn(C[N@H+](C)CCCOC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749955394 638697239 /nfs/dbraw/zinc/69/72/39/638697239.db2.gz RTZSPOJEERLTBI-UHFFFAOYSA-N 1 1 321.381 2.352 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)Cn1cc[nH+]c1C ZINC000753963032 639367618 /nfs/dbraw/zinc/36/76/18/639367618.db2.gz ZLXIKNXDKSZPNO-JTQLQIEISA-N 1 1 319.317 2.354 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@@H]4COCC[C@H]43)c2c1 ZINC000756879781 639708727 /nfs/dbraw/zinc/70/87/27/639708727.db2.gz QPKLAACFJPYRPT-UKRRQHHQSA-N 1 1 316.361 2.403 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(OCCCO)CC1 ZINC000756908008 639713477 /nfs/dbraw/zinc/71/34/77/639713477.db2.gz WPZXZGMMEFDDTH-UHFFFAOYSA-N 1 1 312.341 2.097 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000764401610 640632005 /nfs/dbraw/zinc/63/20/05/640632005.db2.gz HVENGDLYEZUMSX-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000764401610 640632012 /nfs/dbraw/zinc/63/20/12/640632012.db2.gz HVENGDLYEZUMSX-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897726914 640912054 /nfs/dbraw/zinc/91/20/54/640912054.db2.gz XZBOZYAAJMXLTE-OAHLLOKOSA-N 1 1 319.405 2.469 20 5 DEBDMO C[N@@H+]1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000767128719 640947518 /nfs/dbraw/zinc/94/75/18/640947518.db2.gz MJJGMPPGLDZCEY-UHFFFAOYSA-N 1 1 313.304 2.039 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000767128719 640947524 /nfs/dbraw/zinc/94/75/24/640947524.db2.gz MJJGMPPGLDZCEY-UHFFFAOYSA-N 1 1 313.304 2.039 20 5 DEBDMO C[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000898167869 641041774 /nfs/dbraw/zinc/04/17/74/641041774.db2.gz YKMWRZIWLBLOQO-VHDGCEQUSA-N 1 1 317.389 2.108 20 5 DEBDMO Cc1nn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccc([N+](=O)[O-])cc12 ZINC000842035222 650631511 /nfs/dbraw/zinc/63/15/11/650631511.db2.gz FCBGNUQMIHDGNK-OKILXGFUSA-N 1 1 316.361 2.116 20 5 DEBDMO Cc1nn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccc([N+](=O)[O-])cc12 ZINC000842035222 650631512 /nfs/dbraw/zinc/63/15/12/650631512.db2.gz FCBGNUQMIHDGNK-OKILXGFUSA-N 1 1 316.361 2.116 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000771394492 641504226 /nfs/dbraw/zinc/50/42/26/641504226.db2.gz HWXUPYPISAMVEJ-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000771394492 641504230 /nfs/dbraw/zinc/50/42/30/641504230.db2.gz HWXUPYPISAMVEJ-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO Cc1[nH+]ccn1-c1ncccc1CNc1cccnc1[N+](=O)[O-] ZINC000774535682 641916549 /nfs/dbraw/zinc/91/65/49/641916549.db2.gz SBIBGJJZUSYOBM-UHFFFAOYSA-N 1 1 310.317 2.491 20 5 DEBDMO Cc1ccc(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)cc1[N+](=O)[O-] ZINC000899180445 641980972 /nfs/dbraw/zinc/98/09/72/641980972.db2.gz XBZHUVYAAXKHLR-INIZCTEOSA-N 1 1 303.362 2.005 20 5 DEBDMO C[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000842331651 650711529 /nfs/dbraw/zinc/71/15/29/650711529.db2.gz HUDXPIXQLZGHPP-ARLBYUKCSA-N 1 1 318.373 2.105 20 5 DEBDMO C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000842331651 650711532 /nfs/dbraw/zinc/71/15/32/650711532.db2.gz HUDXPIXQLZGHPP-ARLBYUKCSA-N 1 1 318.373 2.105 20 5 DEBDMO C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000842331651 650711540 /nfs/dbraw/zinc/71/15/40/650711540.db2.gz HUDXPIXQLZGHPP-ARLBYUKCSA-N 1 1 318.373 2.105 20 5 DEBDMO C[N@H+]1CCCC12CCN(c1nc3ccccn3c1[N+](=O)[O-])CC2 ZINC000775483331 642050885 /nfs/dbraw/zinc/05/08/85/642050885.db2.gz HPFLCSLUPKHZSC-UHFFFAOYSA-N 1 1 315.377 2.307 20 5 DEBDMO C[C@@H]1[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000842369887 650720242 /nfs/dbraw/zinc/72/02/42/650720242.db2.gz PMAVXKURDNIQKA-DTZQCDIJSA-N 1 1 318.373 2.248 20 5 DEBDMO C[C@@H]1[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000842369887 650720246 /nfs/dbraw/zinc/72/02/46/650720246.db2.gz PMAVXKURDNIQKA-DTZQCDIJSA-N 1 1 318.373 2.248 20 5 DEBDMO C[C@@H]1[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000842369887 650720249 /nfs/dbraw/zinc/72/02/49/650720249.db2.gz PMAVXKURDNIQKA-DTZQCDIJSA-N 1 1 318.373 2.248 20 5 DEBDMO Cc1cc(F)cc(C(=O)NCC2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000775962250 642116997 /nfs/dbraw/zinc/11/69/97/642116997.db2.gz RWJRXOOGLRVDKO-UHFFFAOYSA-N 1 1 307.325 2.034 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000776274682 642151687 /nfs/dbraw/zinc/15/16/87/642151687.db2.gz BWQUJYWVWLRGHC-ZMSDIMECSA-N 1 1 320.389 2.377 20 5 DEBDMO Cc1nccn1CCC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590768 642189641 /nfs/dbraw/zinc/18/96/41/642189641.db2.gz KTRFVWPTVCHFFI-INIZCTEOSA-N 1 1 318.377 2.155 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000776592267 642190192 /nfs/dbraw/zinc/19/01/92/642190192.db2.gz WBDWPVKOXFYTDP-QGZVFWFLSA-N 1 1 314.341 2.392 20 5 DEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900287775 642311444 /nfs/dbraw/zinc/31/14/44/642311444.db2.gz MCHHVGRQCVLDBS-UKRRQHHQSA-N 1 1 303.362 2.228 20 5 DEBDMO COCCC[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777953662 642324160 /nfs/dbraw/zinc/32/41/60/642324160.db2.gz ITCAWLJMLZHNCL-UHFFFAOYSA-N 1 1 304.350 2.384 20 5 DEBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901234322 642601491 /nfs/dbraw/zinc/60/14/91/642601491.db2.gz POXZDTVBKSFOMT-ZBFHGGJFSA-N 1 1 317.389 2.270 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000781354435 642742719 /nfs/dbraw/zinc/74/27/19/642742719.db2.gz RHNNEAPXQWAESB-QWHCGFSZSA-N 1 1 316.304 2.332 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000781354435 642742721 /nfs/dbraw/zinc/74/27/21/642742721.db2.gz RHNNEAPXQWAESB-QWHCGFSZSA-N 1 1 316.304 2.332 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000783918441 643068262 /nfs/dbraw/zinc/06/82/62/643068262.db2.gz DPUKRTMWWIILKH-LLVKDONJSA-N 1 1 316.361 2.290 20 5 DEBDMO Cc1nn(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c(C)c1[N+](=O)[O-] ZINC000902646322 643099663 /nfs/dbraw/zinc/09/96/63/643099663.db2.gz KRTUQVVXGDLCAS-GFCCVEGCSA-N 1 1 321.406 2.387 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@H](Cc3nccs3)C2)c(C)c1[N+](=O)[O-] ZINC000902646322 643099666 /nfs/dbraw/zinc/09/96/66/643099666.db2.gz KRTUQVVXGDLCAS-GFCCVEGCSA-N 1 1 321.406 2.387 20 5 DEBDMO C[NH+](C)CC(N)=NOCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000904438181 643671359 /nfs/dbraw/zinc/67/13/59/643671359.db2.gz SLVTWPFBIVYJIP-UHFFFAOYSA-N 1 1 320.271 2.174 20 5 DEBDMO CC(C)CC(N)=[NH+]O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000789586753 643751418 /nfs/dbraw/zinc/75/14/18/643751418.db2.gz BYOCHXUMYZKKFL-JTQLQIEISA-N 1 1 308.338 2.466 20 5 DEBDMO Cc1ccncc1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796506158 644746664 /nfs/dbraw/zinc/74/66/64/644746664.db2.gz KRJHKQHADMNXDO-MRXNPFEDSA-N 1 1 301.346 2.464 20 5 DEBDMO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796581128 644758084 /nfs/dbraw/zinc/75/80/84/644758084.db2.gz UOWCQKVLLVMSQC-MFKMUULPSA-N 1 1 314.769 2.220 20 5 DEBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796581128 644758090 /nfs/dbraw/zinc/75/80/90/644758090.db2.gz UOWCQKVLLVMSQC-MFKMUULPSA-N 1 1 314.769 2.220 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000910281395 645387285 /nfs/dbraw/zinc/38/72/85/645387285.db2.gz XTXICOADJNVXJG-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910285638 645389132 /nfs/dbraw/zinc/38/91/32/645389132.db2.gz UFZGFDCHAFWYML-LLVKDONJSA-N 1 1 309.341 2.290 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910296040 645408082 /nfs/dbraw/zinc/40/80/82/645408082.db2.gz ZDXHWNHAUIOFDB-CYBMUJFWSA-N 1 1 305.378 2.460 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843756355 651025481 /nfs/dbraw/zinc/02/54/81/651025481.db2.gz XIIRTJOGARDWKW-NSHDSACASA-N 1 1 309.341 2.256 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000843847220 651039348 /nfs/dbraw/zinc/03/93/48/651039348.db2.gz ZWSRAVXBSYKXPV-NXEZZACHSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000843847220 651039352 /nfs/dbraw/zinc/03/93/52/651039352.db2.gz ZWSRAVXBSYKXPV-NXEZZACHSA-N 1 1 309.341 2.207 20 5 DEBDMO C[C@H]1CN(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C(=O)[C@H]1C ZINC000840065358 645852894 /nfs/dbraw/zinc/85/28/94/645852894.db2.gz OZXYKMPYYZSTCT-STQMWFEESA-N 1 1 305.378 2.141 20 5 DEBDMO C[C@H]1CN(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C(=O)[C@H]1C ZINC000840065358 645852906 /nfs/dbraw/zinc/85/29/06/645852906.db2.gz OZXYKMPYYZSTCT-STQMWFEESA-N 1 1 305.378 2.141 20 5 DEBDMO CO[C@H]1C[C@H]([N@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)C12CCC2 ZINC000840138545 646082731 /nfs/dbraw/zinc/08/27/31/646082731.db2.gz FCENVHBWBPQXGD-STQMWFEESA-N 1 1 308.382 2.255 20 5 DEBDMO CO[C@H]1C[C@H]([N@@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)C12CCC2 ZINC000840138545 646082733 /nfs/dbraw/zinc/08/27/33/646082733.db2.gz FCENVHBWBPQXGD-STQMWFEESA-N 1 1 308.382 2.255 20 5 DEBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913287389 646316783 /nfs/dbraw/zinc/31/67/83/646316783.db2.gz BNYZFUUUSYPUHM-IYBDPMFKSA-N 1 1 321.352 2.148 20 5 DEBDMO CC1(C)[C@@H]2C[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]21 ZINC000172939725 646757423 /nfs/dbraw/zinc/75/74/23/646757423.db2.gz BSHJYVKXQWTDCS-PHIMTYICSA-N 1 1 303.318 2.048 20 5 DEBDMO CC1(C)[C@@H]2C[N@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]21 ZINC000172939725 646757424 /nfs/dbraw/zinc/75/74/24/646757424.db2.gz BSHJYVKXQWTDCS-PHIMTYICSA-N 1 1 303.318 2.048 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1N ZINC000840289006 646764437 /nfs/dbraw/zinc/76/44/37/646764437.db2.gz UDORIFCRFMJWEJ-LLVKDONJSA-N 1 1 307.350 2.208 20 5 DEBDMO O=C1CCCN1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173434716 646769564 /nfs/dbraw/zinc/76/95/64/646769564.db2.gz HLYONHORNWRUHP-UHFFFAOYSA-N 1 1 319.361 2.018 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000152029648 647078972 /nfs/dbraw/zinc/07/89/72/647078972.db2.gz VVGXHNLCWGRGTR-HUUCEWRRSA-N 1 1 321.425 2.335 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000152721020 647257691 /nfs/dbraw/zinc/25/76/91/647257691.db2.gz PPAILPKVZFDCMA-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](CCO)CC2)c1 ZINC000817297239 647261833 /nfs/dbraw/zinc/26/18/33/647261833.db2.gz PABFLHZBLHIWPZ-XJKSGUPXSA-N 1 1 308.378 2.113 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000732050819 647536094 /nfs/dbraw/zinc/53/60/94/647536094.db2.gz VHEHSZPEJLHLBI-SNVBAGLBSA-N 1 1 305.338 2.417 20 5 DEBDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818973419 647553740 /nfs/dbraw/zinc/55/37/40/647553740.db2.gz PQTPJZRFFZAGDG-KEYYUXOJSA-N 1 1 321.421 2.338 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818973419 647553742 /nfs/dbraw/zinc/55/37/42/647553742.db2.gz PQTPJZRFFZAGDG-KEYYUXOJSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C[C@@H]2C1 ZINC000821331689 648036343 /nfs/dbraw/zinc/03/63/43/648036343.db2.gz CYGIGGDIWWJNCC-AEGPPILISA-N 1 1 317.389 2.374 20 5 DEBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000918601734 648093451 /nfs/dbraw/zinc/09/34/51/648093451.db2.gz IIPVMXJLAMTBKY-IRHPPKKSSA-N 1 1 315.373 2.351 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000822104476 648157678 /nfs/dbraw/zinc/15/76/78/648157678.db2.gz YZEANJGGCYWQDS-LLVKDONJSA-N 1 1 309.341 2.338 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000823194964 648371597 /nfs/dbraw/zinc/37/15/97/648371597.db2.gz KXYGSIVBGSEWDN-LBPRGKRZSA-N 1 1 308.338 2.029 20 5 DEBDMO Cc1cc(Cl)c(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000825517208 648774185 /nfs/dbraw/zinc/77/41/85/648774185.db2.gz PVVXYUIRJFOYEX-JTQLQIEISA-N 1 1 311.769 2.381 20 5 DEBDMO C[C@H](C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000827266344 649004369 /nfs/dbraw/zinc/00/43/69/649004369.db2.gz KBBZRLNHJUFMSZ-NOLJZWGESA-N 1 1 317.389 2.251 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000827311320 649012205 /nfs/dbraw/zinc/01/22/05/649012205.db2.gz OQVVNZFVDSUJBK-TZMCWYRMSA-N 1 1 303.362 2.069 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827374302 649026060 /nfs/dbraw/zinc/02/60/60/649026060.db2.gz MXNCJBABMHQKQU-GWCFXTLKSA-N 1 1 323.780 2.414 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829572182 649324616 /nfs/dbraw/zinc/32/46/16/649324616.db2.gz FPWYGIRZRHYFQI-LBPRGKRZSA-N 1 1 308.338 2.422 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000830110276 649395218 /nfs/dbraw/zinc/39/52/18/649395218.db2.gz COMRLBCWIZYEJD-CABZTGNLSA-N 1 1 309.391 2.139 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1F ZINC000830823135 649500976 /nfs/dbraw/zinc/50/09/76/649500976.db2.gz MKLXJUHNLUEPQS-IOASZLSFSA-N 1 1 324.352 2.096 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCSC[C@H]2C2CC2)c1 ZINC000831778030 649641591 /nfs/dbraw/zinc/64/15/91/649641591.db2.gz IJSCXADZZHCLID-LSDHHAIUSA-N 1 1 308.403 2.456 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000832290640 649692736 /nfs/dbraw/zinc/69/27/36/649692736.db2.gz ASKXHTMVXYIGBF-UFBFGSQYSA-N 1 1 322.258 2.479 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000832290640 649692738 /nfs/dbraw/zinc/69/27/38/649692738.db2.gz ASKXHTMVXYIGBF-UFBFGSQYSA-N 1 1 322.258 2.479 20 5 DEBDMO C[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000844420538 651126185 /nfs/dbraw/zinc/12/61/85/651126185.db2.gz BSLOVZUBZFBHPN-WFASDCNBSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000844420538 651126186 /nfs/dbraw/zinc/12/61/86/651126186.db2.gz BSLOVZUBZFBHPN-WFASDCNBSA-N 1 1 306.362 2.272 20 5 DEBDMO Cc1nn(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c2ncc([N+](=O)[O-])cc12 ZINC000844757696 651166249 /nfs/dbraw/zinc/16/62/49/651166249.db2.gz QCFGKNRXWMKONT-CYBMUJFWSA-N 1 1 323.303 2.337 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c2ncc([N+](=O)[O-])cc12 ZINC000844757696 651166251 /nfs/dbraw/zinc/16/62/51/651166251.db2.gz QCFGKNRXWMKONT-CYBMUJFWSA-N 1 1 323.303 2.337 20 5 DEBDMO CC[N@H+](CCOC)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848474881 651461460 /nfs/dbraw/zinc/46/14/60/651461460.db2.gz HRCCPZWOZYYWES-UHFFFAOYSA-N 1 1 304.350 2.384 20 5 DEBDMO CC[N@@H+](CCOC)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848474881 651461461 /nfs/dbraw/zinc/46/14/61/651461461.db2.gz HRCCPZWOZYYWES-UHFFFAOYSA-N 1 1 304.350 2.384 20 5 DEBDMO C[C@H]1C[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C ZINC000848480757 651461679 /nfs/dbraw/zinc/46/16/79/651461679.db2.gz SSDVVPWKCPGUGT-DVOMOZLQSA-N 1 1 317.389 2.456 20 5 DEBDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000848519735 651466224 /nfs/dbraw/zinc/46/62/24/651466224.db2.gz OQPNLSGMHCBRBL-UFBFGSQYSA-N 1 1 307.306 2.116 20 5 DEBDMO COCC[N@H+]1[C@H](C)CN(c2c(OC)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000848735093 651503346 /nfs/dbraw/zinc/50/33/46/651503346.db2.gz LRCYFBQFPMRNED-BETUJISGSA-N 1 1 323.393 2.149 20 5 DEBDMO COCC[N@@H+]1[C@H](C)CN(c2c(OC)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000848735093 651503349 /nfs/dbraw/zinc/50/33/49/651503349.db2.gz LRCYFBQFPMRNED-BETUJISGSA-N 1 1 323.393 2.149 20 5 DEBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c(N)c([N+](=O)[O-])c1 ZINC000855164370 651638822 /nfs/dbraw/zinc/63/88/22/651638822.db2.gz KXLFUFPPDFYYKT-NSHDSACASA-N 1 1 320.393 2.088 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852315085 652383595 /nfs/dbraw/zinc/38/35/95/652383595.db2.gz QALVSTSAFHDAIM-LLVKDONJSA-N 1 1 321.768 2.362 20 5 DEBDMO COc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])cc1C ZINC000853644982 652583735 /nfs/dbraw/zinc/58/37/35/652583735.db2.gz HYSIEBRZZFKXIK-MRXNPFEDSA-N 1 1 305.378 2.444 20 5 DEBDMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928245086 693747524 /nfs/dbraw/zinc/74/75/24/693747524.db2.gz JUQIWVBIXGOEBR-ABAIWWIYSA-N 1 1 303.362 2.399 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000160417255 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321.308 2.280 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C2CC2)c1 ZINC000929854852 694043986 /nfs/dbraw/zinc/04/39/86/694043986.db2.gz WKQVTZFMRILZGR-RRQGHBQHSA-N 1 1 318.373 2.363 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865127066 686946112 /nfs/dbraw/zinc/94/61/12/686946112.db2.gz ZJPGIFLCZUOSHM-LLVKDONJSA-N 1 1 311.357 2.123 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC1 ZINC000930062298 694081885 /nfs/dbraw/zinc/08/18/85/694081885.db2.gz XXBFEWITMXMZKD-KMFMINBZSA-N 1 1 318.373 2.363 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC1 ZINC000930062298 694081890 /nfs/dbraw/zinc/08/18/90/694081890.db2.gz XXBFEWITMXMZKD-KMFMINBZSA-N 1 1 318.373 2.363 20 5 DEBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1ncn(C)n1 ZINC000866343102 687541328 /nfs/dbraw/zinc/54/13/28/687541328.db2.gz HVKJYMMSAMRSLV-ZJUUUORDSA-N 1 1 307.329 2.144 20 5 DEBDMO O=[N+]([O-])CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000930457774 694166712 /nfs/dbraw/zinc/16/67/12/694166712.db2.gz GWWNYCXKQYNDGC-KRWDZBQOSA-N 1 1 300.358 2.499 20 5 DEBDMO O=[N+]([O-])CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000930457774 694166714 /nfs/dbraw/zinc/16/67/14/694166714.db2.gz GWWNYCXKQYNDGC-KRWDZBQOSA-N 1 1 300.358 2.499 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000868809713 688147431 /nfs/dbraw/zinc/14/74/31/688147431.db2.gz LLIITYBXOXDSFA-CYBMUJFWSA-N 1 1 323.368 2.218 20 5 DEBDMO C[C@@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000870789248 688654214 /nfs/dbraw/zinc/65/42/14/688654214.db2.gz UVLUZABESUWIAJ-NWDGAFQWSA-N 1 1 309.366 2.353 20 5 DEBDMO CCC1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000870870246 688672785 /nfs/dbraw/zinc/67/27/85/688672785.db2.gz KCFHVAJYMLWXGC-MRXNPFEDSA-N 1 1 305.378 2.417 20 5 DEBDMO C[C@]([NH3+])(C(=O)N1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000870886703 688678032 /nfs/dbraw/zinc/67/80/32/688678032.db2.gz QFZLITXUJJUUDH-MRXNPFEDSA-N 1 1 305.378 2.417 20 5 DEBDMO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047203 688919197 /nfs/dbraw/zinc/91/91/97/688919197.db2.gz CNUUYENPFMRGHE-NXEZZACHSA-N 1 1 307.325 2.148 20 5 DEBDMO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051977 688919662 /nfs/dbraw/zinc/91/96/62/688919662.db2.gz LUTUCRQXXZVEQV-MJVIPROJSA-N 1 1 311.357 2.104 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1ncnc2sc([N+](=O)[O-])cc21 ZINC000872781028 689092012 /nfs/dbraw/zinc/09/20/12/689092012.db2.gz PCPXJACHZNPYRL-WDEREUQCSA-N 1 1 319.390 2.272 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000873044356 689147550 /nfs/dbraw/zinc/14/75/50/689147550.db2.gz KZODGODTWBEYQU-HUUCEWRRSA-N 1 1 319.405 2.164 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000873044356 689147553 /nfs/dbraw/zinc/14/75/53/689147553.db2.gz KZODGODTWBEYQU-HUUCEWRRSA-N 1 1 319.405 2.164 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNc1cc2n(n1)CC[N@H+](C)C2 ZINC000873152547 689171898 /nfs/dbraw/zinc/17/18/98/689171898.db2.gz TUJLOHWIXBFASB-UHFFFAOYSA-N 1 1 315.377 2.466 20 5 DEBDMO Cc1ccc(C[N@H+]2[C@H](C)CC[C@H](C(N)=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000930914286 694271184 /nfs/dbraw/zinc/27/11/84/694271184.db2.gz TXUOGYYGGBNBRJ-DYEKYZERSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874823138 689499409 /nfs/dbraw/zinc/49/94/09/689499409.db2.gz GAMUWEAVBWABNW-STQMWFEESA-N 1 1 321.352 2.351 20 5 DEBDMO Cc1c(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874834457 689509290 /nfs/dbraw/zinc/50/92/90/689509290.db2.gz SDAGNRIHXZKPOO-HOTGVXAUSA-N 1 1 317.389 2.141 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000877437089 690112685 /nfs/dbraw/zinc/11/26/85/690112685.db2.gz VPHURBGRZVTGFH-ZUZCIYMTSA-N 1 1 305.378 2.297 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000877437089 690112688 /nfs/dbraw/zinc/11/26/88/690112688.db2.gz VPHURBGRZVTGFH-ZUZCIYMTSA-N 1 1 305.378 2.297 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000877594328 690161831 /nfs/dbraw/zinc/16/18/31/690161831.db2.gz FLVNXJBAXKRGJE-ZDUSSCGKSA-N 1 1 308.378 2.183 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000877594328 690161834 /nfs/dbraw/zinc/16/18/34/690161834.db2.gz FLVNXJBAXKRGJE-ZDUSSCGKSA-N 1 1 308.378 2.183 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877902524 690256179 /nfs/dbraw/zinc/25/61/79/690256179.db2.gz CMBSFIZFRDNHND-DOMZBBRYSA-N 1 1 318.377 2.461 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000879124495 690572854 /nfs/dbraw/zinc/57/28/54/690572854.db2.gz VJZWXEPPEDNFFJ-IUODEOHRSA-N 1 1 318.377 2.461 20 5 DEBDMO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@H+](CC[N+](=O)[O-])C1 ZINC000931376623 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2.142 20 5 DEBDMO CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000880134419 690813525 /nfs/dbraw/zinc/81/35/25/690813525.db2.gz ZABLDOGDENNIOO-HOTGVXAUSA-N 1 1 305.378 2.142 20 5 DEBDMO CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000880134419 690813526 /nfs/dbraw/zinc/81/35/26/690813526.db2.gz ZABLDOGDENNIOO-HOTGVXAUSA-N 1 1 305.378 2.142 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCOc1cccc([N+](=O)[O-])c1 ZINC000880134421 690814593 /nfs/dbraw/zinc/81/45/93/690814593.db2.gz ZABLDOGDENNIOO-JKSUJKDBSA-N 1 1 305.378 2.142 20 5 DEBDMO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000880134421 690814595 /nfs/dbraw/zinc/81/45/95/690814595.db2.gz ZABLDOGDENNIOO-JKSUJKDBSA-N 1 1 305.378 2.142 20 5 DEBDMO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000880134421 690814598 /nfs/dbraw/zinc/81/45/98/690814598.db2.gz ZABLDOGDENNIOO-JKSUJKDBSA-N 1 1 305.378 2.142 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](CF)C2)c1 ZINC000880230670 690844411 /nfs/dbraw/zinc/84/44/11/690844411.db2.gz MUFCPTPEIWMEMU-TZMCWYRMSA-N 1 1 312.341 2.016 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](CF)C1 ZINC000880237160 690847315 /nfs/dbraw/zinc/84/73/15/690847315.db2.gz RPXMGGSZVOTCOJ-CHWSQXEVSA-N 1 1 312.341 2.016 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000886184257 692019900 /nfs/dbraw/zinc/01/99/00/692019900.db2.gz XVWLAAMFLTYBFA-HNNXBMFYSA-N 1 1 314.345 2.176 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000886184257 692019902 /nfs/dbraw/zinc/01/99/02/692019902.db2.gz XVWLAAMFLTYBFA-HNNXBMFYSA-N 1 1 314.345 2.176 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000886301059 692049062 /nfs/dbraw/zinc/04/90/62/692049062.db2.gz VBIBPADYUBAWMU-MGPQQGTHSA-N 1 1 319.361 2.153 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000886301059 692049066 /nfs/dbraw/zinc/04/90/66/692049066.db2.gz VBIBPADYUBAWMU-MGPQQGTHSA-N 1 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ZINC001334076468 1150188646 /nfs/dbraw/zinc/18/86/46/1150188646.db2.gz SJKOSWJXWNCKJD-UHFFFAOYSA-N 1 1 310.329 2.292 20 5 DEBDMO Cc1cc(C)c(OC(=O)c2cc(C[NH+](C)C)on2)c([N+](=O)[O-])c1 ZINC001334739086 1150337751 /nfs/dbraw/zinc/33/77/51/1150337751.db2.gz ZXDBFQWPFWFLEG-UHFFFAOYSA-N 1 1 319.317 2.480 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC001442451230 1182479542 /nfs/dbraw/zinc/47/95/42/1182479542.db2.gz ZTAFYPLRYOXMLA-UHFFFAOYSA-N 1 1 320.393 2.245 20 5 DEBDMO CC(C)(C)c1ccc(-n2cnc(C[NH3+])cc2=N)c([N+](=O)[O-])c1 ZINC001167359050 776949536 /nfs/dbraw/zinc/94/95/36/776949536.db2.gz JFEQAOAQDZORCP-UHFFFAOYSA-N 1 1 301.350 2.016 20 5 DEBDMO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nnnn1C1CC1 ZINC000588582312 777512177 /nfs/dbraw/zinc/51/21/77/777512177.db2.gz GSXFVARJECHNPF-QZPNVGJNSA-N 1 1 314.349 2.280 20 5 DEBDMO CCOC(=O)c1cccc([N+](=O)[O-])c1NC1C[NH+](C(C)C)C1 ZINC001168313971 780832653 /nfs/dbraw/zinc/83/26/53/780832653.db2.gz HXQBEUVTTHXSAM-UHFFFAOYSA-N 1 1 307.350 2.276 20 5 DEBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169013370 785003683 /nfs/dbraw/zinc/00/36/83/785003683.db2.gz UJWYWZPTZDPFTN-AGIUHOORSA-N 1 1 313.398 2.031 20 5 DEBDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169042774 785015530 /nfs/dbraw/zinc/01/55/30/785015530.db2.gz FLOPZRXULHBOQE-AVGNSLFASA-N 1 1 313.398 2.331 20 5 DEBDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169042774 785015535 /nfs/dbraw/zinc/01/55/35/785015535.db2.gz FLOPZRXULHBOQE-AVGNSLFASA-N 1 1 313.398 2.331 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC001170335643 786913878 /nfs/dbraw/zinc/91/38/78/786913878.db2.gz PSVVFJYKQIYPMX-SGIREYDYSA-N 1 1 306.362 2.398 20 5 DEBDMO COC(=O)[C@H]1CC[N@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170335146 786914504 /nfs/dbraw/zinc/91/45/04/786914504.db2.gz LRJDYIYMNKFFSV-AAEUAGOBSA-N 1 1 322.361 2.029 20 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793530405 /nfs/dbraw/zinc/53/04/05/793530405.db2.gz DVIVPCZWUGGMQJ-BXUZGUMPSA-N 1 1 306.362 2.336 20 5 DEBDMO COC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910348 793542654 /nfs/dbraw/zinc/54/26/54/793542654.db2.gz XUZIIDNTCUQJAA-ZBFHGGJFSA-N 1 1 318.373 2.480 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2nnc(C)o2)c1F ZINC001173179077 793620188 /nfs/dbraw/zinc/62/01/88/793620188.db2.gz JWTDRMMRSXMETC-MRVPVSSYSA-N 1 1 324.312 2.155 20 5 DEBDMO CCOC(=O)[C@@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173226154 793643285 /nfs/dbraw/zinc/64/32/85/793643285.db2.gz HYFZQNMPKJPLAI-TZMCWYRMSA-N 1 1 306.362 2.411 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001173229861 793644505 /nfs/dbraw/zinc/64/45/05/793644505.db2.gz VWUINDUVCWHOCN-AAEUAGOBSA-N 1 1 314.332 2.475 20 5 DEBDMO CC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232835 793646138 /nfs/dbraw/zinc/64/61/38/793646138.db2.gz UBXXUWQLWPJALF-DYVFJYSZSA-N 1 1 319.405 2.469 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001173233695 793646276 /nfs/dbraw/zinc/64/62/76/793646276.db2.gz MEBSOKZXNYXIEZ-DOMZBBRYSA-N 1 1 305.378 2.078 20 5 DEBDMO O=c1[nH]ccc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC001185565397 796282819 /nfs/dbraw/zinc/28/28/19/796282819.db2.gz PWHBAHFFJVQDRT-GFCCVEGCSA-N 1 1 306.366 2.372 20 5 DEBDMO Cc1oncc1CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001154883771 797633483 /nfs/dbraw/zinc/63/34/83/797633483.db2.gz CUMFZFCIWGAVBT-SNAWJCMRSA-N 1 1 303.322 2.431 20 5 DEBDMO O=[N+]([O-])c1cnc(Cl)cc1NCC[NH+]1CCSCC1 ZINC001157044186 798132884 /nfs/dbraw/zinc/13/28/84/798132884.db2.gz REFLNBICYRDSQU-UHFFFAOYSA-N 1 1 302.787 2.104 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)nc1Cl ZINC001157265615 798173680 /nfs/dbraw/zinc/17/36/80/798173680.db2.gz KBMKJPKXNXTXIQ-ZYHUDNBSSA-N 1 1 310.785 2.482 20 5 DEBDMO O=[N+]([O-])c1ccnc(-n2ccc(C[NH2+]Cc3ccccc3)n2)c1 ZINC001157607133 798239856 /nfs/dbraw/zinc/23/98/56/798239856.db2.gz JNNXDJDEZNVTFM-UHFFFAOYSA-N 1 1 309.329 2.465 20 5 DEBDMO CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001157766849 798274491 /nfs/dbraw/zinc/27/44/91/798274491.db2.gz ATBUCMUEMHPUME-HZPDHXFCSA-N 1 1 319.405 2.071 20 5 DEBDMO N[C@H](CCC[NH3+])Nc1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001159786633 798608376 /nfs/dbraw/zinc/60/83/76/798608376.db2.gz GBGRIWLLYSHWIP-ZDUSSCGKSA-N 1 1 309.757 2.232 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001160161132 798657288 /nfs/dbraw/zinc/65/72/88/798657288.db2.gz VSJJUKOMLZLMNB-ZDUSSCGKSA-N 1 1 305.378 2.378 20 5 DEBDMO Nc1cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001161186553 798807067 /nfs/dbraw/zinc/80/70/67/798807067.db2.gz OWYVEZKKONDXRT-LBPRGKRZSA-N 1 1 305.382 2.248 20 5 DEBDMO C[N@@H+]1CCc2c(NCCCn3ccnc3)ccc([N+](=O)[O-])c2C1 ZINC001161689137 798912656 /nfs/dbraw/zinc/91/26/56/798912656.db2.gz IYCHODWSOTVEHL-UHFFFAOYSA-N 1 1 315.377 2.281 20 5 DEBDMO C[N@H+]1CCc2c(NCCCn3ccnc3)ccc([N+](=O)[O-])c2C1 ZINC001161689137 798912662 /nfs/dbraw/zinc/91/26/62/798912662.db2.gz IYCHODWSOTVEHL-UHFFFAOYSA-N 1 1 315.377 2.281 20 5 DEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001162337478 799064132 /nfs/dbraw/zinc/06/41/32/799064132.db2.gz PCNKGPBXPZZCIL-HNNXBMFYSA-N 1 1 322.365 2.063 20 5 DEBDMO Cc1ncc([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001163668712 799401227 /nfs/dbraw/zinc/40/12/27/799401227.db2.gz DMOBWZSSPLLQQW-OAHLLOKOSA-N 1 1 313.361 2.186 20 5 DEBDMO Cc1ncc([N+](=O)[O-])c(N2CC[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001163668712 799401230 /nfs/dbraw/zinc/40/12/30/799401230.db2.gz DMOBWZSSPLLQQW-OAHLLOKOSA-N 1 1 313.361 2.186 20 5 DEBDMO COc1cccc(NCC2(N(C)C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164213099 799540683 /nfs/dbraw/zinc/54/06/83/799540683.db2.gz OCULVLGVROCJMO-UHFFFAOYSA-N 1 1 322.409 2.041 20 5 DEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccc(=O)[nH]1 ZINC000933395425 800084899 /nfs/dbraw/zinc/08/48/99/800084899.db2.gz KFBNULUAVFRFBJ-UHFFFAOYSA-N 1 1 303.318 2.206 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000933705874 800166990 /nfs/dbraw/zinc/16/69/90/800166990.db2.gz OLBGJVOXPNVKBI-CTASWTNQSA-N 1 1 304.394 2.468 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933914166 800214845 /nfs/dbraw/zinc/21/48/45/800214845.db2.gz ZNEPGPWCMMYOIY-CYBMUJFWSA-N 1 1 310.423 2.317 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933926135 800217083 /nfs/dbraw/zinc/21/70/83/800217083.db2.gz AKCRUVBYJVLOJE-KCXAZCMYSA-N 1 1 317.389 2.156 20 5 DEBDMO O=C1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCCCCN1 ZINC000934163966 800279026 /nfs/dbraw/zinc/27/90/26/800279026.db2.gz XCXOFOGVXYFHLV-UHFFFAOYSA-N 1 1 309.341 2.226 20 5 DEBDMO CC[N@H+]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000935928552 800801882 /nfs/dbraw/zinc/80/18/82/800801882.db2.gz LKFGPKKDCXUXTO-GFCCVEGCSA-N 1 1 323.368 2.219 20 5 DEBDMO C[N@@H+](CCCNC(=O)CC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001231137824 801589459 /nfs/dbraw/zinc/58/94/59/801589459.db2.gz BBLOXRURFBUIKC-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO c1ccc2nc3c(cccc3O[C@H]3C[C@H]4CNCC[N@H+]4C3)nc2c1 ZINC001218072460 802139762 /nfs/dbraw/zinc/13/97/62/802139762.db2.gz PZPYBQLIEBXULA-KBPBESRZSA-N 1 1 320.396 2.208 20 5 DEBDMO c1ccc2nc3c(cccc3O[C@H]3C[C@H]4CNCC[N@@H+]4C3)nc2c1 ZINC001218072460 802139765 /nfs/dbraw/zinc/13/97/65/802139765.db2.gz PZPYBQLIEBXULA-KBPBESRZSA-N 1 1 320.396 2.208 20 5 DEBDMO COc1cc(CO[C@@H]2CCc3[nH+]ccn3C2)cc([N+](=O)[O-])c1 ZINC001223396371 802786717 /nfs/dbraw/zinc/78/67/17/802786717.db2.gz OSWICSMEDNNLRH-CYBMUJFWSA-N 1 1 303.318 2.332 20 5 DEBDMO COC(=O)c1ccc(CO[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001223413659 802788367 /nfs/dbraw/zinc/78/83/67/802788367.db2.gz NKBHBZGYTFJFBA-AWEZNQCLSA-N 1 1 322.361 2.381 20 5 DEBDMO COC(=O)[C@H](O[C@H]1CCC[N@@H+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001223645054 802805323 /nfs/dbraw/zinc/80/53/23/802805323.db2.gz ZKDNWAJPZXJBLP-SWLSCSKDSA-N 1 1 322.361 2.310 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001225449313 802967608 /nfs/dbraw/zinc/96/76/08/802967608.db2.gz SYJGDILRZJIYTQ-PTEHBNRSSA-N 1 1 320.345 2.385 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001225594532 802987919 /nfs/dbraw/zinc/98/79/19/802987919.db2.gz PMZWYUNAMIVXPB-SNVBAGLBSA-N 1 1 318.289 2.402 20 5 DEBDMO C[NH+](C)C1CCC(Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001228603085 803379615 /nfs/dbraw/zinc/37/96/15/803379615.db2.gz INOVSHNZCLNYEB-UHFFFAOYSA-N 1 1 322.365 2.219 20 5 DEBDMO Cc1ccc(N2CCC[C@H](Oc3ncncc3[N+](=O)[O-])C2)[nH+]c1 ZINC001228655892 803388230 /nfs/dbraw/zinc/38/82/30/803388230.db2.gz XFASOIXRBNJDQK-LBPRGKRZSA-N 1 1 315.333 2.136 20 5 DEBDMO COc1cc([C@@H](C)[NH2+]CC(=O)NCC(C)C)cc([N+](=O)[O-])c1 ZINC001334755873 1150339460 /nfs/dbraw/zinc/33/94/60/1150339460.db2.gz ZWGWLLUSPGJVSQ-LLVKDONJSA-N 1 1 309.366 2.026 20 5 DEBDMO COCCn1cc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC001335052304 1150370715 /nfs/dbraw/zinc/37/07/15/1150370715.db2.gz XHHUNFBSRYYTGR-UHFFFAOYSA-N 1 1 324.768 2.381 20 5 DEBDMO CC(C)C[N@@H+](C)CCCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335461880 1150424259 /nfs/dbraw/zinc/42/42/59/1150424259.db2.gz ZQTNZGZPUKIFMZ-MRXNPFEDSA-N 1 1 309.410 2.196 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001346501726 1150997285 /nfs/dbraw/zinc/99/72/85/1150997285.db2.gz ZFALNWWOOCBMQJ-NSHDSACASA-N 1 1 310.329 2.340 20 5 DEBDMO CC1=C[C@@H](C)C[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001603826152 1070114541 /nfs/dbraw/zinc/11/45/41/1070114541.db2.gz GJASEWLPYXDZCM-SNVBAGLBSA-N 1 1 314.349 2.173 20 5 DEBDMO Cc1ccc(NCCNC(=O)c2ccc([N+](=O)[O-])cc2F)[nH+]c1 ZINC001472010706 1060361521 /nfs/dbraw/zinc/36/15/21/1060361521.db2.gz JCURTKCVSFQVLW-UHFFFAOYSA-N 1 1 318.308 2.279 20 5 DEBDMO C/C=C(\C)C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479764261 1061704274 /nfs/dbraw/zinc/70/42/74/1061704274.db2.gz OYGHUNOSGHDYKW-YIXHJXPBSA-N 1 1 305.378 2.499 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(c3ncccn3)CCC2)c1 ZINC001620537977 1078164700 /nfs/dbraw/zinc/16/47/00/1078164700.db2.gz JWTQIKUCMSHUCX-CQSZACIVSA-N 1 1 314.345 2.087 20 5 DEBDMO CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001570103693 1065925177 /nfs/dbraw/zinc/92/51/77/1065925177.db2.gz DNIJAIWRISJHAO-CHWSQXEVSA-N 1 1 311.426 2.106 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(c3cnc[nH]3)CC2)n1 ZINC001629465867 1078318235 /nfs/dbraw/zinc/31/82/35/1078318235.db2.gz IFDMRAHHLLOZOK-UHFFFAOYSA-N 1 1 315.333 2.041 20 5 DEBDMO CC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC001577162341 1066777379 /nfs/dbraw/zinc/77/73/79/1066777379.db2.gz VTGQTOGXCBISSR-GHMZBOCLSA-N 1 1 316.365 2.395 20 5 DEBDMO Cc1cc(NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)ccc1O ZINC001579623937 1067388750 /nfs/dbraw/zinc/38/87/50/1067388750.db2.gz ORAYXRYUCBGVSJ-MRXNPFEDSA-N 1 1 315.329 2.421 20 5 DEBDMO Cc1cccc2c1C[NH2+]CCN2C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001579778919 1067421241 /nfs/dbraw/zinc/42/12/41/1067421241.db2.gz FXJHKRRPIIPZLN-UHFFFAOYSA-N 1 1 305.378 2.267 20 5 DEBDMO Cc1ncc(NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)s1 ZINC001579878637 1067444927 /nfs/dbraw/zinc/44/49/27/1067444927.db2.gz VFCZOQLNXTYOTN-CYBMUJFWSA-N 1 1 306.347 2.172 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC001637907568 1078539136 /nfs/dbraw/zinc/53/91/36/1078539136.db2.gz YTLZVKYRZLUOEE-GFCCVEGCSA-N 1 1 309.341 2.209 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001514832795 1068789613 /nfs/dbraw/zinc/78/96/13/1068789613.db2.gz ZYYDKMNJXUMOHK-VSGCLNPGSA-N 1 1 303.362 2.209 20 5 DEBDMO Cc1nc(N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)ncc1[N+](=O)[O-] ZINC001516245970 1068919307 /nfs/dbraw/zinc/91/93/07/1068919307.db2.gz RDCPASHWMZHCAH-IYBDPMFKSA-N 1 1 317.393 2.005 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NCCn2cc[nH+]c2C(C)C)n1 ZINC001543081582 1072473901 /nfs/dbraw/zinc/47/39/01/1072473901.db2.gz FJATVHOEQSAAHF-UHFFFAOYSA-N 1 1 317.349 2.048 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC[C@@H]21 ZINC001329298494 1148882221 /nfs/dbraw/zinc/88/22/21/1148882221.db2.gz NJSKFHPNHTYRRF-RISCZKNCSA-N 1 1 302.378 2.093 20 5 DEBDMO O=C(NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCC1 ZINC001493337978 1079030864 /nfs/dbraw/zinc/03/08/64/1079030864.db2.gz QQLWNEYSKAOBKN-UHFFFAOYSA-N 1 1 317.389 2.476 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001558874768 1075107105 /nfs/dbraw/zinc/10/71/05/1075107105.db2.gz OIDBKNOEKVIZDQ-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC001560242925 1075135015 /nfs/dbraw/zinc/13/50/15/1075135015.db2.gz LNSVTEYOPIWELB-GFCCVEGCSA-N 1 1 311.357 2.269 20 5 DEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001620678337 1076065839 /nfs/dbraw/zinc/06/58/39/1076065839.db2.gz RZJWWANKTJXGNW-CHWSQXEVSA-N 1 1 321.377 2.423 20 5 DEBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC001593466993 1077005198 /nfs/dbraw/zinc/00/51/98/1077005198.db2.gz JEVLMPZZHYMMLV-AAEUAGOBSA-N 1 1 314.349 2.149 20 5 DEBDMO CC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609200611 1077795794 /nfs/dbraw/zinc/79/57/94/1077795794.db2.gz ADBKRDSMXCHCKL-SNVBAGLBSA-N 1 1 302.338 2.007 20 5 DEBDMO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CC[N@@H+](C)[C@H]3C)c2c1 ZINC001652248913 1079860937 /nfs/dbraw/zinc/86/09/37/1079860937.db2.gz WKYMFEHEAJZJEL-GXFFZTMASA-N 1 1 316.361 2.078 20 5 DEBDMO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3CC[N@@H+](C)[C@@H]3C)c2c1 ZINC001652248914 1079861184 /nfs/dbraw/zinc/86/11/84/1079861184.db2.gz WKYMFEHEAJZJEL-MFKMUULPSA-N 1 1 316.361 2.078 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001652342348 1079871383 /nfs/dbraw/zinc/87/13/83/1079871383.db2.gz LKQKVRKXBKXKLL-LBPRGKRZSA-N 1 1 301.350 2.068 20 5 DEBDMO C[N@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)(C)C1 ZINC001652488236 1079877847 /nfs/dbraw/zinc/87/78/47/1079877847.db2.gz MTLSPOADSBQNNJ-GFCCVEGCSA-N 1 1 311.769 2.318 20 5 DEBDMO COC(=O)c1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)on1 ZINC001657689715 1080183860 /nfs/dbraw/zinc/18/38/60/1080183860.db2.gz LIMSFOJBJJCULQ-UHFFFAOYSA-N 1 1 319.317 2.394 20 5 DEBDMO C/C(=C/C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001266260871 1081923730 /nfs/dbraw/zinc/92/37/30/1081923730.db2.gz XQWTXVRWQFDARG-QBFSEMIESA-N 1 1 317.389 2.499 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001649114004 1084135742 /nfs/dbraw/zinc/13/57/42/1084135742.db2.gz CZBXTQBODSSBGJ-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CSc1ccc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC001129073532 1086590243 /nfs/dbraw/zinc/59/02/43/1086590243.db2.gz HZSJMSCMZVXKQQ-YPMHNXCESA-N 1 1 321.402 2.093 20 5 DEBDMO CN(CCC(F)(F)F)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001119042236 1090083035 /nfs/dbraw/zinc/08/30/35/1090083035.db2.gz LSYWHSIVBABHSA-LBPRGKRZSA-N 1 1 319.283 2.180 20 5 DEBDMO COC(=O)N1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC001319701799 1140674721 /nfs/dbraw/zinc/67/47/21/1140674721.db2.gz KUSXACOJUBJFPK-DAXSKMNVSA-N 1 1 319.361 2.382 20 5 DEBDMO COC(=O)N1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC001319701799 1140674736 /nfs/dbraw/zinc/67/47/36/1140674736.db2.gz KUSXACOJUBJFPK-DAXSKMNVSA-N 1 1 319.361 2.382 20 5 DEBDMO C[C@@H](C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001321134659 1141062822 /nfs/dbraw/zinc/06/28/22/1141062822.db2.gz FKBQRVAAEMXGIQ-CZUORRHYSA-N 1 1 317.389 2.395 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@@H](CF)C3)n2)cc1 ZINC001337169823 1142701460 /nfs/dbraw/zinc/70/14/60/1142701460.db2.gz QZPWZZXDJZMMJE-NSHDSACASA-N 1 1 305.313 2.102 20 5 DEBDMO C[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001337478235 1142759678 /nfs/dbraw/zinc/75/96/78/1142759678.db2.gz CXARBGYJYMIGLI-IUODEOHRSA-N 1 1 305.378 2.299 20 5 DEBDMO COc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C)cc([N+](=O)[O-])c1C ZINC001337559039 1142768485 /nfs/dbraw/zinc/76/84/85/1142768485.db2.gz ZMMGRUHXHYFXPH-ZDUSSCGKSA-N 1 1 321.377 2.126 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC001339199248 1142979575 /nfs/dbraw/zinc/97/95/75/1142979575.db2.gz BFZAPPPNOPFKKT-UMNHJUIQSA-N 1 1 323.780 2.318 20 5 DEBDMO C[C@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1O ZINC001254475034 1143132686 /nfs/dbraw/zinc/13/26/86/1143132686.db2.gz YSPCZSJLJADTKK-GUYCJALGSA-N 1 1 319.405 2.266 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCC[C@H](O)CC3)CC2)cc1 ZINC001254476306 1143133236 /nfs/dbraw/zinc/13/32/36/1143133236.db2.gz NPKWHQFIEYXPOL-KRWDZBQOSA-N 1 1 319.405 2.410 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC[N@H+]3CCC[C@@H]3C1)C2 ZINC001254601357 1143273525 /nfs/dbraw/zinc/27/35/25/1143273525.db2.gz YQDNRTPOYVGIAI-IAGOWNOFSA-N 1 1 301.390 2.232 20 5 DEBDMO C[N@@H+](C1CC1)[C@@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254607702 1143279647 /nfs/dbraw/zinc/27/96/47/1143279647.db2.gz MFCSYYMPPYSZRX-IAGOWNOFSA-N 1 1 301.390 2.231 20 5 DEBDMO CN(C1CC1)[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254607702 1143279662 /nfs/dbraw/zinc/27/96/62/1143279662.db2.gz MFCSYYMPPYSZRX-IAGOWNOFSA-N 1 1 301.390 2.231 20 5 DEBDMO CN(C1CC1)[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254607702 1143279678 /nfs/dbraw/zinc/27/96/78/1143279678.db2.gz MFCSYYMPPYSZRX-IAGOWNOFSA-N 1 1 301.390 2.231 20 5 DEBDMO C[N@@H+]1CC[C@]2(CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608216 1143280929 /nfs/dbraw/zinc/28/09/29/1143280929.db2.gz PRGIIGPJQJXRQN-SJORKVTESA-N 1 1 301.390 2.090 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608216 1143280940 /nfs/dbraw/zinc/28/09/40/1143280940.db2.gz PRGIIGPJQJXRQN-SJORKVTESA-N 1 1 301.390 2.090 20 5 DEBDMO CN1CC[C@]2(CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608216 1143280952 /nfs/dbraw/zinc/28/09/52/1143280952.db2.gz PRGIIGPJQJXRQN-SJORKVTESA-N 1 1 301.390 2.090 20 5 DEBDMO CN1CC[C@]2(CC[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608216 1143280968 /nfs/dbraw/zinc/28/09/68/1143280968.db2.gz PRGIIGPJQJXRQN-SJORKVTESA-N 1 1 301.390 2.090 20 5 DEBDMO CC(=O)N1CCC[C@H]([N@@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612787 1143281466 /nfs/dbraw/zinc/28/14/66/1143281466.db2.gz ZAOLRAMVKCNLEG-DLBZAZTESA-N 1 1 317.389 2.005 20 5 DEBDMO Cc1cc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC001341006507 1143522006 /nfs/dbraw/zinc/52/20/06/1143522006.db2.gz NMPYPZOUOMLIHR-UHFFFAOYSA-N 1 1 314.345 2.393 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001304040969 1147343060 /nfs/dbraw/zinc/34/30/60/1147343060.db2.gz DRGVNHAQSOLDSH-ZDUSSCGKSA-N 1 1 309.341 2.194 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001306045105 1147378489 /nfs/dbraw/zinc/37/84/89/1147378489.db2.gz LROYNVXIUGODGI-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001339268027 1147399729 /nfs/dbraw/zinc/39/97/29/1147399729.db2.gz WATSAWAYCIYIRS-OAGGEKHMSA-N 1 1 317.389 2.299 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H]4OCCC[C@H]4C3)nc2c1 ZINC001326464739 1148107078 /nfs/dbraw/zinc/10/70/78/1148107078.db2.gz DINABUASXLOZKI-NHYWBVRUSA-N 1 1 316.361 2.472 20 5 DEBDMO COCCn1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000291657703 404467062 /nfs/dbraw/zinc/46/70/62/404467062.db2.gz DQDVMSVPZUCVJZ-UHFFFAOYSA-N 1 1 318.377 2.463 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000088055966 185238417 /nfs/dbraw/zinc/23/84/17/185238417.db2.gz IARJJZNKGNJMRE-KOLCDFICSA-N 1 1 311.769 2.461 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000090552065 185302645 /nfs/dbraw/zinc/30/26/45/185302645.db2.gz GZKAOEMVBIRWFP-UONOGXRCSA-N 1 1 323.418 2.117 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000613779181 362206619 /nfs/dbraw/zinc/20/66/19/362206619.db2.gz BTCFZAAITKBODI-LBPRGKRZSA-N 1 1 306.366 2.461 20 5 DEBDMO Cc1nn(C)c(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000161886436 282272285 /nfs/dbraw/zinc/27/22/85/282272285.db2.gz LILMOLNRAOOZLO-OCCSQVGLSA-N 1 1 319.409 2.090 20 5 DEBDMO CCc1nn(C)c(NCC[N@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000443961420 529767648 /nfs/dbraw/zinc/76/76/48/529767648.db2.gz LIEKRGUZINPYDW-UHFFFAOYSA-N 1 1 309.414 2.425 20 5 DEBDMO COC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000181573597 199320145 /nfs/dbraw/zinc/32/01/45/199320145.db2.gz ZJLWUDPWEWEYOB-CYBMUJFWSA-N 1 1 318.333 2.159 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000278180854 214008289 /nfs/dbraw/zinc/00/82/89/214008289.db2.gz UGQGOXBXWFXSAP-CHWSQXEVSA-N 1 1 303.362 2.260 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000278180860 214008172 /nfs/dbraw/zinc/00/81/72/214008172.db2.gz UGQGOXBXWFXSAP-STQMWFEESA-N 1 1 303.362 2.260 20 5 DEBDMO C[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000299274074 529915381 /nfs/dbraw/zinc/91/53/81/529915381.db2.gz LTHDDPKZYLYMON-UHFFFAOYSA-N 1 1 312.757 2.464 20 5 DEBDMO CNC(=O)c1ccc(NCC[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000302167428 529942608 /nfs/dbraw/zinc/94/26/08/529942608.db2.gz SDUOPUKVNPWWIW-UHFFFAOYSA-N 1 1 318.377 2.018 20 5 DEBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc(F)cc(F)c1 ZINC000444703220 529939519 /nfs/dbraw/zinc/93/95/19/529939519.db2.gz JQWDGKFUQYOCRI-UHFFFAOYSA-N 1 1 323.299 2.167 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc(F)cc(F)c1 ZINC000444703220 529939521 /nfs/dbraw/zinc/93/95/21/529939521.db2.gz JQWDGKFUQYOCRI-UHFFFAOYSA-N 1 1 323.299 2.167 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C[C@@H]1C ZINC000614446837 362383264 /nfs/dbraw/zinc/38/32/64/362383264.db2.gz SNGOGIICJBYHLU-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C[C@@H]1C ZINC000614446837 362383269 /nfs/dbraw/zinc/38/32/69/362383269.db2.gz SNGOGIICJBYHLU-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO C[C@@H]1COC[C@H](C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331360345 233171033 /nfs/dbraw/zinc/17/10/33/233171033.db2.gz XSKVNRRUKUDIBQ-TXEJJXNPSA-N 1 1 307.350 2.033 20 5 DEBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+](C)C1CC1 ZINC000139273655 186020897 /nfs/dbraw/zinc/02/08/97/186020897.db2.gz UZWBBADZHQOYJE-VIFPVBQESA-N 1 1 311.769 2.461 20 5 DEBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000140657488 186027511 /nfs/dbraw/zinc/02/75/11/186027511.db2.gz IREYWXLNUUYGCD-KBPBESRZSA-N 1 1 310.398 2.317 20 5 DEBDMO C[N@@H+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC000155978550 186124620 /nfs/dbraw/zinc/12/46/20/186124620.db2.gz DMKATLPVFBCUIE-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC000155978550 186124622 /nfs/dbraw/zinc/12/46/22/186124622.db2.gz DMKATLPVFBCUIE-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1ccc([C@H](C)NC(=O)c2csc(C[NH3+])n2)cc1[N+](=O)[O-] ZINC000237460248 186293102 /nfs/dbraw/zinc/29/31/02/186293102.db2.gz RCGKISCLKWXABO-VIFPVBQESA-N 1 1 320.374 2.309 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000617753262 363252999 /nfs/dbraw/zinc/25/29/99/363252999.db2.gz UOLYSQIOTSZKFK-STQMWFEESA-N 1 1 305.378 2.251 20 5 DEBDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000030150457 354119834 /nfs/dbraw/zinc/11/98/34/354119834.db2.gz PCFNPERODVTBDO-LBPRGKRZSA-N 1 1 305.378 2.460 20 5 DEBDMO CC(C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000046551952 354286125 /nfs/dbraw/zinc/28/61/25/354286125.db2.gz OGWZMUPAAAENMD-INIZCTEOSA-N 1 1 324.400 2.418 20 5 DEBDMO Cc1cccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000047226857 354310268 /nfs/dbraw/zinc/31/02/68/354310268.db2.gz ICFYBVMEFCSMQT-UONOGXRCSA-N 1 1 303.362 2.260 20 5 DEBDMO Cc1nn(C)c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000051265281 354382042 /nfs/dbraw/zinc/38/20/42/354382042.db2.gz ZEWVWQSRNPYNMG-AWEZNQCLSA-N 1 1 315.377 2.323 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNc2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 ZINC000060333555 354610455 /nfs/dbraw/zinc/61/04/55/354610455.db2.gz ZFNHOEQIHOLMOF-LBPRGKRZSA-N 1 1 320.393 2.098 20 5 DEBDMO CCOC(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000070977099 354893363 /nfs/dbraw/zinc/89/33/63/354893363.db2.gz YSLUCALFEOKHOH-UHFFFAOYSA-N 1 1 321.377 2.060 20 5 DEBDMO C[C@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000072873044 354927057 /nfs/dbraw/zinc/92/70/57/354927057.db2.gz JNYWQSPRKJKLJS-TYNCELHUSA-N 1 1 303.362 2.288 20 5 DEBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCOC1 ZINC000352232374 540061764 /nfs/dbraw/zinc/06/17/64/540061764.db2.gz UWCXWSCZBOBNFT-CYBMUJFWSA-N 1 1 318.333 2.256 20 5 DEBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCOC1 ZINC000352232374 540061766 /nfs/dbraw/zinc/06/17/66/540061766.db2.gz UWCXWSCZBOBNFT-CYBMUJFWSA-N 1 1 318.333 2.256 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000076665138 355161014 /nfs/dbraw/zinc/16/10/14/355161014.db2.gz NUFJYCMUXPBEPK-CQSZACIVSA-N 1 1 308.382 2.067 20 5 DEBDMO O=C(C[N@@H+]1CCC12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000081545500 355436369 /nfs/dbraw/zinc/43/63/69/355436369.db2.gz BIWSLWWWYDGULL-UHFFFAOYSA-N 1 1 301.346 2.112 20 5 DEBDMO O=C(C[N@H+]1CCC12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000081545500 355436372 /nfs/dbraw/zinc/43/63/72/355436372.db2.gz BIWSLWWWYDGULL-UHFFFAOYSA-N 1 1 301.346 2.112 20 5 DEBDMO CC[N@@H+](CCC(=O)OC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083169803 355464051 /nfs/dbraw/zinc/46/40/51/355464051.db2.gz YEZFTWZHJPXTCZ-UHFFFAOYSA-N 1 1 307.306 2.121 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089968927 355551887 /nfs/dbraw/zinc/55/18/87/355551887.db2.gz BZIVGAWOQPNHON-UHFFFAOYSA-N 1 1 304.268 2.484 20 5 DEBDMO CCC[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000090884135 355568593 /nfs/dbraw/zinc/56/85/93/355568593.db2.gz VOTPWVZGPVCOHE-CVEARBPZSA-N 1 1 318.377 2.493 20 5 DEBDMO CC[N@@H+](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000102563311 355712278 /nfs/dbraw/zinc/71/22/78/355712278.db2.gz UGRGBRZAWJRSPG-UHFFFAOYSA-N 1 1 308.382 2.124 20 5 DEBDMO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093741905 355686146 /nfs/dbraw/zinc/68/61/46/355686146.db2.gz IPTIHBAMASDHFR-ZDUSSCGKSA-N 1 1 307.394 2.464 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093741905 355686148 /nfs/dbraw/zinc/68/61/48/355686148.db2.gz IPTIHBAMASDHFR-ZDUSSCGKSA-N 1 1 307.394 2.464 20 5 DEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000834817313 649851627 /nfs/dbraw/zinc/85/16/27/649851627.db2.gz NWGSMNJEIUOEOY-CYBMUJFWSA-N 1 1 315.732 2.022 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185027700 356200497 /nfs/dbraw/zinc/20/04/97/356200497.db2.gz LQYQBGHZZXPPPJ-RYUDHWBXSA-N 1 1 323.368 2.295 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000292100790 356382511 /nfs/dbraw/zinc/38/25/11/356382511.db2.gz HWUGQHUEVCERCD-INIZCTEOSA-N 1 1 316.361 2.264 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000319918750 356442654 /nfs/dbraw/zinc/44/26/54/356442654.db2.gz LGWMHRTZXHARMS-JSGCOSHPSA-N 1 1 310.398 2.115 20 5 DEBDMO Cc1c(Cc2noc([C@@H]3CC[N@H+](C)C3)n2)cccc1[N+](=O)[O-] ZINC000350161183 356509691 /nfs/dbraw/zinc/50/96/91/356509691.db2.gz MWYCUAPDFXGSBG-GFCCVEGCSA-N 1 1 302.334 2.296 20 5 DEBDMO CCC[N@H+](C)Cc1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000350901727 356584022 /nfs/dbraw/zinc/58/40/22/356584022.db2.gz NMJDBRXISXDVHM-UHFFFAOYSA-N 1 1 320.349 2.419 20 5 DEBDMO CCC[N@@H+](C)Cc1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000350901727 356584028 /nfs/dbraw/zinc/58/40/28/356584028.db2.gz NMJDBRXISXDVHM-UHFFFAOYSA-N 1 1 320.349 2.419 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCn4cc[nH+]c4C3)n2)o1 ZINC000351143875 356621495 /nfs/dbraw/zinc/62/14/95/356621495.db2.gz HEGFDZCTDHXANI-QMMMGPOBSA-N 1 1 301.262 2.164 20 5 DEBDMO CCC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000581378390 357178794 /nfs/dbraw/zinc/17/87/94/357178794.db2.gz ISASPORPUDHVBA-UHFFFAOYSA-N 1 1 323.349 2.382 20 5 DEBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CC[N@@H+](CC3CC3)C2)s1 ZINC000587973642 357384347 /nfs/dbraw/zinc/38/43/47/357384347.db2.gz BLCSPNPPEHNKHE-JTQLQIEISA-N 1 1 319.390 2.496 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)n1 ZINC000590758584 357603882 /nfs/dbraw/zinc/60/38/82/357603882.db2.gz VOPVIANYKMCCCW-KGLIPLIRSA-N 1 1 320.393 2.072 20 5 DEBDMO Cc1ccc(NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000590796718 357613880 /nfs/dbraw/zinc/61/38/80/357613880.db2.gz NDXPSFBEJYKZAV-RISCZKNCSA-N 1 1 304.350 2.071 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000451992133 283283343 /nfs/dbraw/zinc/28/33/43/283283343.db2.gz LHJFXNVNQYIEIQ-AWEZNQCLSA-N 1 1 320.393 2.139 20 5 DEBDMO Cc1c(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000451992133 283283344 /nfs/dbraw/zinc/28/33/44/283283344.db2.gz LHJFXNVNQYIEIQ-AWEZNQCLSA-N 1 1 320.393 2.139 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000592140547 357838377 /nfs/dbraw/zinc/83/83/77/357838377.db2.gz XHDKBTJHNSBMGI-JMSVASOKSA-N 1 1 319.361 2.033 20 5 DEBDMO CCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592831788 357952664 /nfs/dbraw/zinc/95/26/64/357952664.db2.gz OVQIQZTZRNNUNU-CYBMUJFWSA-N 1 1 309.341 2.290 20 5 DEBDMO CCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592831356 357953271 /nfs/dbraw/zinc/95/32/71/357953271.db2.gz LJNATOFGLCXZGY-AWEZNQCLSA-N 1 1 305.378 2.460 20 5 DEBDMO Cc1c(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000593187414 358029190 /nfs/dbraw/zinc/02/91/90/358029190.db2.gz KEIFTLQOUGCMEL-RTXFEEFZSA-N 1 1 305.378 2.456 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593466052 358085165 /nfs/dbraw/zinc/08/51/65/358085165.db2.gz USVQNIQLOBLARC-UHFFFAOYSA-N 1 1 311.357 2.125 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1CO ZINC000594017137 358189725 /nfs/dbraw/zinc/18/97/25/358189725.db2.gz RTNZNZMCQFYXPR-CQSZACIVSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCCC[C@@H]1CO ZINC000594017137 358189729 /nfs/dbraw/zinc/18/97/29/358189729.db2.gz RTNZNZMCQFYXPR-CQSZACIVSA-N 1 1 321.377 2.079 20 5 DEBDMO C[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594503218 358285219 /nfs/dbraw/zinc/28/52/19/358285219.db2.gz HCBQVMDHUNYTBE-SUMWQHHRSA-N 1 1 319.405 2.499 20 5 DEBDMO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041315 358382394 /nfs/dbraw/zinc/38/23/94/358382394.db2.gz PAJCDGXRCYYEBU-WDEREUQCSA-N 1 1 309.366 2.121 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595388927 358437649 /nfs/dbraw/zinc/43/76/49/358437649.db2.gz YWPWMIXWZMEYOY-MRXNPFEDSA-N 1 1 321.421 2.260 20 5 DEBDMO COCCO[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595391016 358437976 /nfs/dbraw/zinc/43/79/76/358437976.db2.gz BNYWYBAACQXWHV-CQSZACIVSA-N 1 1 312.341 2.361 20 5 DEBDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595391016 358437978 /nfs/dbraw/zinc/43/79/78/358437978.db2.gz BNYWYBAACQXWHV-CQSZACIVSA-N 1 1 312.341 2.361 20 5 DEBDMO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000595831640 358558135 /nfs/dbraw/zinc/55/81/35/358558135.db2.gz LICYIEYUJFSQSJ-LBPRGKRZSA-N 1 1 321.352 2.178 20 5 DEBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000595831640 358558139 /nfs/dbraw/zinc/55/81/39/358558139.db2.gz LICYIEYUJFSQSJ-LBPRGKRZSA-N 1 1 321.352 2.178 20 5 DEBDMO O=C1CC[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000597206643 358854366 /nfs/dbraw/zinc/85/43/66/358854366.db2.gz PSGGQUGEPXVPCH-SZWGIHMLSA-N 1 1 315.373 2.209 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000598217784 359127687 /nfs/dbraw/zinc/12/76/87/359127687.db2.gz BQTDMQSNAVURQU-LLVKDONJSA-N 1 1 307.350 2.325 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000598341972 359168856 /nfs/dbraw/zinc/16/88/56/359168856.db2.gz JPYZLYHIQPMXNN-SNVBAGLBSA-N 1 1 311.769 2.462 20 5 DEBDMO COc1ccc(CNC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000598993433 359377837 /nfs/dbraw/zinc/37/78/37/359377837.db2.gz BQBPNJUOKOOOGN-AWEZNQCLSA-N 1 1 307.394 2.425 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCc3nc[nH]c3C2)cc1 ZINC000599429741 359494337 /nfs/dbraw/zinc/49/43/37/359494337.db2.gz JIYFBSRVBJCTBW-UHFFFAOYSA-N 1 1 302.334 2.145 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCc3nc[nH]c3C2)cc1 ZINC000599429741 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C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1CO ZINC000361661654 405188447 /nfs/dbraw/zinc/18/84/47/405188447.db2.gz NZVGHEISPRWWET-ONGXEEELSA-N 1 1 316.304 2.256 20 5 DEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000439074762 405264811 /nfs/dbraw/zinc/26/48/11/405264811.db2.gz BSRISZOXHQXBFN-LBPRGKRZSA-N 1 1 308.382 2.163 20 5 DEBDMO CCOc1cc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000425547911 405301100 /nfs/dbraw/zinc/30/11/00/405301100.db2.gz MGSUUJLYYQLPCP-GFCCVEGCSA-N 1 1 317.349 2.101 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000446487073 405383226 /nfs/dbraw/zinc/38/32/26/405383226.db2.gz YZVPJWLVQIXJIC-NWDGAFQWSA-N 1 1 306.366 2.460 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000427391782 405403634 /nfs/dbraw/zinc/40/36/34/405403634.db2.gz PKDAEDLCXQNSFS-NWDGAFQWSA-N 1 1 321.377 2.158 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426466323 405361863 /nfs/dbraw/zinc/36/18/63/405361863.db2.gz FKLGRAFQWABTIR-MCIONIFRSA-N 1 1 306.362 2.209 20 5 DEBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000429787651 405449594 /nfs/dbraw/zinc/44/95/94/405449594.db2.gz OOXHAHFZXXOEIK-ZIAGYGMSSA-N 1 1 308.378 2.457 20 5 DEBDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000421365538 405475705 /nfs/dbraw/zinc/47/57/05/405475705.db2.gz UVDGZSXPBVOONO-RYUDHWBXSA-N 1 1 324.377 2.062 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000449516639 405593544 /nfs/dbraw/zinc/59/35/44/405593544.db2.gz GZSJJGAMIUMHSZ-SWLSCSKDSA-N 1 1 305.378 2.129 20 5 DEBDMO O=C(NCC[NH+]1CCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450198359 405777226 /nfs/dbraw/zinc/77/72/26/405777226.db2.gz BTXFUDPWAPEFSM-UHFFFAOYSA-N 1 1 317.267 2.049 20 5 DEBDMO CCNC(=O)C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000459561549 405956430 /nfs/dbraw/zinc/95/64/30/405956430.db2.gz MNNJNESGADOCDS-UHFFFAOYSA-N 1 1 323.393 2.386 20 5 DEBDMO Cn1cc(C(C)(C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000516534721 406096441 /nfs/dbraw/zinc/09/64/41/406096441.db2.gz SNDMAYHWYMGIMT-UHFFFAOYSA-N 1 1 314.349 2.230 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000516547564 406097282 /nfs/dbraw/zinc/09/72/82/406097282.db2.gz WTFAORIDVRGPOC-GXTWGEPZSA-N 1 1 320.393 2.391 20 5 DEBDMO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000516864716 406107068 /nfs/dbraw/zinc/10/70/68/406107068.db2.gz DYNXIELJCHIKPB-SWLSCSKDSA-N 1 1 321.377 2.421 20 5 DEBDMO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000516864716 406107073 /nfs/dbraw/zinc/10/70/73/406107073.db2.gz DYNXIELJCHIKPB-SWLSCSKDSA-N 1 1 321.377 2.421 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCO)CC1 ZINC000533279987 406133863 /nfs/dbraw/zinc/13/38/63/406133863.db2.gz CMBHSOBPPZDPNF-GFCCVEGCSA-N 1 1 321.377 2.016 20 5 DEBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000475723927 406147688 /nfs/dbraw/zinc/14/76/88/406147688.db2.gz HDKZLMCMWZNMGS-NEPJUHHUSA-N 1 1 322.361 2.377 20 5 DEBDMO CSc1cccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000486954048 406192884 /nfs/dbraw/zinc/19/28/84/406192884.db2.gz HVNBXCJUXAAMGY-GHMZBOCLSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1cccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000486954048 406192887 /nfs/dbraw/zinc/19/28/87/406192887.db2.gz HVNBXCJUXAAMGY-GHMZBOCLSA-N 1 1 323.418 2.481 20 5 DEBDMO C[N@H+]1CC[C@H](C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000536552281 406264464 /nfs/dbraw/zinc/26/44/64/406264464.db2.gz PZLWZRDDHPGMPJ-SWLSCSKDSA-N 1 1 321.402 2.121 20 5 DEBDMO O=C(CC[N@H+]1CC[C@@H]2OCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000520575598 406302149 /nfs/dbraw/zinc/30/21/49/406302149.db2.gz VNOJONSCFVZHGZ-DOMZBBRYSA-N 1 1 319.361 2.034 20 5 DEBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CC1(C)C ZINC000489470021 406410515 /nfs/dbraw/zinc/41/05/15/406410515.db2.gz LSJHHGAEOSYIKP-CQSZACIVSA-N 1 1 303.362 2.214 20 5 DEBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CC1(C)C ZINC000489470021 406410516 /nfs/dbraw/zinc/41/05/16/406410516.db2.gz LSJHHGAEOSYIKP-CQSZACIVSA-N 1 1 303.362 2.214 20 5 DEBDMO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c3cnccc23)CCO1 ZINC000523079158 406417165 /nfs/dbraw/zinc/41/71/65/406417165.db2.gz KDSRLWKYWOBMBA-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c3cnccc23)CCO1 ZINC000523079158 406417173 /nfs/dbraw/zinc/41/71/73/406417173.db2.gz KDSRLWKYWOBMBA-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO CC(C)O[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000570798199 406441072 /nfs/dbraw/zinc/44/10/72/406441072.db2.gz UBSNUZDGCULMCC-OAHLLOKOSA-N 1 1 321.377 2.423 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491860194 406751379 /nfs/dbraw/zinc/75/13/79/406751379.db2.gz AMPHKMKSVJBPSS-KTKRTIGZSA-N 1 1 305.378 2.456 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296629222 226065537 /nfs/dbraw/zinc/06/55/37/226065537.db2.gz CFBYEHPBJAOPCH-UHFFFAOYSA-N 1 1 321.312 2.369 20 5 DEBDMO Cc1cccc(NCCNc2ncnc3cccc([N+](=O)[O-])c32)[nH+]1 ZINC000347415391 425012999 /nfs/dbraw/zinc/01/29/99/425012999.db2.gz PYMKOFDHVYIMIL-UHFFFAOYSA-N 1 1 324.344 2.765 20 5 DEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CC)CC1 ZINC000351501814 425038881 /nfs/dbraw/zinc/03/88/81/425038881.db2.gz ZFNOXVWSVGTTAW-HNNXBMFYSA-N 1 1 319.405 2.328 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1C ZINC000611222072 425079990 /nfs/dbraw/zinc/07/99/90/425079990.db2.gz XBXZFJHTWKOWPR-NXEZZACHSA-N 1 1 309.395 2.223 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000026156730 267360511 /nfs/dbraw/zinc/36/05/11/267360511.db2.gz PIWVAUALQMCLIP-TXEJJXNPSA-N 1 1 321.377 2.341 20 5 DEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccco1 ZINC000192707593 267743355 /nfs/dbraw/zinc/74/33/55/267743355.db2.gz BZRWPMVZCSUTOR-AWEZNQCLSA-N 1 1 320.345 2.197 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CN1CCN(C)c2[nH+]cccc21 ZINC000430225131 269126313 /nfs/dbraw/zinc/12/63/13/269126313.db2.gz XHIYYFQSZFTXAM-UHFFFAOYSA-N 1 1 314.345 2.455 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000430229138 269127494 /nfs/dbraw/zinc/12/74/94/269127494.db2.gz VAAHLWNZTDEAEO-CYBMUJFWSA-N 1 1 307.394 2.377 20 5 DEBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430261157 269128999 /nfs/dbraw/zinc/12/89/99/269128999.db2.gz UBOWNCBOLLECEI-AWEZNQCLSA-N 1 1 311.769 2.206 20 5 DEBDMO C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000517065160 269376144 /nfs/dbraw/zinc/37/61/44/269376144.db2.gz PLDNFFJMTLHHBS-WOSRLPQWSA-N 1 1 317.389 2.251 20 5 DEBDMO CO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000281650704 274064558 /nfs/dbraw/zinc/06/45/58/274064558.db2.gz JXHLFLYSGULWHD-IAQYHMDHSA-N 1 1 322.361 2.461 20 5 DEBDMO CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000281650704 274064560 /nfs/dbraw/zinc/06/45/60/274064560.db2.gz JXHLFLYSGULWHD-IAQYHMDHSA-N 1 1 322.361 2.461 20 5 DEBDMO C[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000420590491 274226524 /nfs/dbraw/zinc/22/65/24/274226524.db2.gz VMMYMYSGQLSUBH-NEPJUHHUSA-N 1 1 320.393 2.226 20 5 DEBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000274212345 274279601 /nfs/dbraw/zinc/27/96/01/274279601.db2.gz WVRZMKZUAQTQGT-NSHDSACASA-N 1 1 321.406 2.273 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c2ccncc21 ZINC000278473205 275036380 /nfs/dbraw/zinc/03/63/80/275036380.db2.gz DJORDEDZTGDSRH-UHFFFAOYSA-N 1 1 324.344 2.193 20 5 DEBDMO CC(=O)c1ccc(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000264946348 275504009 /nfs/dbraw/zinc/50/40/09/275504009.db2.gz JRDYXMASYONAEW-UHFFFAOYSA-N 1 1 303.362 2.472 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CC[C@@H]21 ZINC000133619817 277070327 /nfs/dbraw/zinc/07/03/27/277070327.db2.gz MEFORXURZZVHNG-MNOVXSKESA-N 1 1 321.406 2.225 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000269099490 277182086 /nfs/dbraw/zinc/18/20/86/277182086.db2.gz QJGNQHKSXTUZTC-QWRGUYRKSA-N 1 1 321.406 2.225 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408091875 279082483 /nfs/dbraw/zinc/08/24/83/279082483.db2.gz XSXJPMTXNGQXOI-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408091875 279082485 /nfs/dbraw/zinc/08/24/85/279082485.db2.gz XSXJPMTXNGQXOI-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO Cc1cccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000332239024 281195665 /nfs/dbraw/zinc/19/56/65/281195665.db2.gz ICFYBVMEFCSMQT-KBPBESRZSA-N 1 1 303.362 2.260 20 5 DEBDMO CC[C@H](C)[N@H+](C)CCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573199482 326031450 /nfs/dbraw/zinc/03/14/50/326031450.db2.gz YYSPRTYQDFETIJ-ZDUSSCGKSA-N 1 1 322.409 2.243 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573199482 326031453 /nfs/dbraw/zinc/03/14/53/326031453.db2.gz YYSPRTYQDFETIJ-ZDUSSCGKSA-N 1 1 322.409 2.243 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C[C@@H]21 ZINC000573457170 326059858 /nfs/dbraw/zinc/05/98/58/326059858.db2.gz MGGWPWWPKZQLJJ-KCJUWKMLSA-N 1 1 316.283 2.149 20 5 DEBDMO C[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CC(C)C1 ZINC000574463976 326157261 /nfs/dbraw/zinc/15/72/61/326157261.db2.gz XBTHVOKUTDBSQO-GFCCVEGCSA-N 1 1 305.378 2.286 20 5 DEBDMO CN1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000574479301 326158304 /nfs/dbraw/zinc/15/83/04/326158304.db2.gz RYOSRBUGGDOGMK-RBSFLKMASA-N 1 1 321.425 2.206 20 5 DEBDMO O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000575910650 326255024 /nfs/dbraw/zinc/25/50/24/326255024.db2.gz ZTGWGHOJLNJYQU-INIZCTEOSA-N 1 1 315.373 2.106 20 5 DEBDMO CC(C)Oc1nc(N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000577191100 326349322 /nfs/dbraw/zinc/34/93/22/326349322.db2.gz AFCPSUMQIJNSAN-RYUDHWBXSA-N 1 1 308.382 2.306 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000577276346 326354430 /nfs/dbraw/zinc/35/44/30/326354430.db2.gz MNFVDJREKMMNSG-GFCCVEGCSA-N 1 1 311.357 2.269 20 5 DEBDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000583675472 336395204 /nfs/dbraw/zinc/39/52/04/336395204.db2.gz GCWGUVJKCXDUNF-LSDHHAIUSA-N 1 1 317.389 2.253 20 5 DEBDMO CC[N@@H+](CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001329992208 1149029602 /nfs/dbraw/zinc/02/96/02/1149029602.db2.gz UQFRTELQIPAATK-UHFFFAOYSA-N 1 1 318.377 2.104 20 5 DEBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001330303714 1149088920 /nfs/dbraw/zinc/08/89/20/1149088920.db2.gz FZFJVNXVUVCFQP-LLVKDONJSA-N 1 1 307.325 2.044 20 5 DEBDMO Cc1nc(N(C)CCC[N@@H+](C)Cc2ccco2)ncc1[N+](=O)[O-] ZINC000295717513 534438380 /nfs/dbraw/zinc/43/83/80/534438380.db2.gz SURYATCUBZHAIM-UHFFFAOYSA-N 1 1 319.365 2.245 20 5 DEBDMO C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338362142 524113144 /nfs/dbraw/zinc/11/31/44/524113144.db2.gz UCPVCDPEXVXUED-AWEZNQCLSA-N 1 1 319.405 2.470 20 5 DEBDMO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337087920 526760505 /nfs/dbraw/zinc/76/05/05/526760505.db2.gz GPWYCYRIPLQTRN-KBPBESRZSA-N 1 1 318.377 2.021 20 5 DEBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000157158285 526973068 /nfs/dbraw/zinc/97/30/68/526973068.db2.gz JNEWSXJRJLPMOY-GFCCVEGCSA-N 1 1 315.329 2.162 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000292816620 528358280 /nfs/dbraw/zinc/35/82/80/528358280.db2.gz VSMDQRKZQLUIDN-NSHDSACASA-N 1 1 308.382 2.027 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000292690943 528825769 /nfs/dbraw/zinc/82/57/69/528825769.db2.gz XYPCMSUJHNMJKF-CYBMUJFWSA-N 1 1 322.409 2.165 20 5 DEBDMO CC[C@H]1CO[C@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411165323 529311207 /nfs/dbraw/zinc/31/12/07/529311207.db2.gz JNQKWJXAARDMPC-OCCSQVGLSA-N 1 1 321.377 2.423 20 5 DEBDMO CCO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451522498 535627576 /nfs/dbraw/zinc/62/75/76/535627576.db2.gz BHMCLKBPTLEXOA-DOMZBBRYSA-N 1 1 321.377 2.280 20 5 DEBDMO CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451522498 535627585 /nfs/dbraw/zinc/62/75/85/535627585.db2.gz BHMCLKBPTLEXOA-DOMZBBRYSA-N 1 1 321.377 2.280 20 5 DEBDMO CCOc1cc(N[C@@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000450607119 535686522 /nfs/dbraw/zinc/68/65/22/535686522.db2.gz BABHCWWFMOJQQN-CQSZACIVSA-N 1 1 323.393 2.252 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000456355675 536136455 /nfs/dbraw/zinc/13/64/55/536136455.db2.gz QLLMQDDLRSAIRL-AWEZNQCLSA-N 1 1 305.378 2.460 20 5 DEBDMO COc1ccc(OCC[NH2+][C@@H](C)c2ccon2)c([N+](=O)[O-])c1 ZINC000349234180 536850861 /nfs/dbraw/zinc/85/08/61/536850861.db2.gz AQWQLMGRORCLMN-JTQLQIEISA-N 1 1 307.306 2.321 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001355252872 1151996443 /nfs/dbraw/zinc/99/64/43/1151996443.db2.gz OIVJRGPQCHZPDZ-IAQYHMDHSA-N 1 1 320.349 2.424 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2OC)C1 ZINC000892724388 625485342 /nfs/dbraw/zinc/48/53/42/625485342.db2.gz SLIZLSQGRZTOJM-GFCCVEGCSA-N 1 1 308.382 2.167 20 5 DEBDMO COCCO[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000179362864 625618465 /nfs/dbraw/zinc/61/84/65/625618465.db2.gz PRTCTYXKOUMLLD-CQSZACIVSA-N 1 1 312.341 2.361 20 5 DEBDMO COCCO[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000179362864 625618467 /nfs/dbraw/zinc/61/84/67/625618467.db2.gz PRTCTYXKOUMLLD-CQSZACIVSA-N 1 1 312.341 2.361 20 5 DEBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933251163 624127160 /nfs/dbraw/zinc/12/71/60/624127160.db2.gz HEXZEIGYPITZQF-DLBZAZTESA-N 1 1 321.421 2.290 20 5 DEBDMO CC(C)C[C@H]1CN(C)CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933251163 624127164 /nfs/dbraw/zinc/12/71/64/624127164.db2.gz HEXZEIGYPITZQF-DLBZAZTESA-N 1 1 321.421 2.290 20 5 DEBDMO COc1ccc(OCC[N@H+](C)[C@@H]2CC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000934129542 624744047 /nfs/dbraw/zinc/74/40/47/624744047.db2.gz JIPYPHQNATWMHO-OCCSQVGLSA-N 1 1 310.350 2.091 20 5 DEBDMO CC(C)N1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000892989504 625845995 /nfs/dbraw/zinc/84/59/95/625845995.db2.gz RGNUUTAHBZGZMO-GFCCVEGCSA-N 1 1 311.769 2.347 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)C1 ZINC000893965248 636077184 /nfs/dbraw/zinc/07/71/84/636077184.db2.gz ZLATZPOVGFXYFO-CQSZACIVSA-N 1 1 306.322 2.035 20 5 DEBDMO CCO[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CN(C)C ZINC000922758011 636380841 /nfs/dbraw/zinc/38/08/41/636380841.db2.gz ZVFCMLCKJPMECT-HEWZJLJBSA-N 1 1 307.394 2.164 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000151033770 636382081 /nfs/dbraw/zinc/38/20/81/636382081.db2.gz JLHUKVZJPAKROZ-GFCCVEGCSA-N 1 1 323.368 2.456 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500903 637217472 /nfs/dbraw/zinc/21/74/72/637217472.db2.gz ROTZEGKHUXADEP-QWHCGFSZSA-N 1 1 307.394 2.410 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838281835 637515323 /nfs/dbraw/zinc/51/53/23/637515323.db2.gz RAQCBDLVGNZESJ-DZGCQCFKSA-N 1 1 322.361 2.046 20 5 DEBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000928553507 637668320 /nfs/dbraw/zinc/66/83/20/637668320.db2.gz FUSZWWXILXTVOI-VIFPVBQESA-N 1 1 317.267 2.048 20 5 DEBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000928553507 637668324 /nfs/dbraw/zinc/66/83/24/637668324.db2.gz FUSZWWXILXTVOI-VIFPVBQESA-N 1 1 317.267 2.048 20 5 DEBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000928557422 637684517 /nfs/dbraw/zinc/68/45/17/637684517.db2.gz FYKWCBGDMIZFME-QMMMGPOBSA-N 1 1 317.267 2.048 20 5 DEBDMO C[N@H+]1CC[C@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000928557422 637684522 /nfs/dbraw/zinc/68/45/22/637684522.db2.gz FYKWCBGDMIZFME-QMMMGPOBSA-N 1 1 317.267 2.048 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000895193573 637779255 /nfs/dbraw/zinc/77/92/55/637779255.db2.gz WZAKRUHCVJVTHG-WCQYABFASA-N 1 1 313.361 2.211 20 5 DEBDMO C[C@@H](Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895244974 637840919 /nfs/dbraw/zinc/84/09/19/637840919.db2.gz BNORTICFXOVUIV-YGRLFVJLSA-N 1 1 312.801 2.294 20 5 DEBDMO C[C@H]1C[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000741503162 637990039 /nfs/dbraw/zinc/99/00/39/637990039.db2.gz KEEVLAZRWFQHJS-JQWIXIFHSA-N 1 1 308.407 2.364 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000895571104 638086279 /nfs/dbraw/zinc/08/62/79/638086279.db2.gz BIXAMPXJYYWNFN-STQMWFEESA-N 1 1 308.407 2.290 20 5 DEBDMO Cc1nc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)ccc1[N+](=O)[O-] ZINC000895565994 638091355 /nfs/dbraw/zinc/09/13/55/638091355.db2.gz GKYAFFBRBPMVJC-YPMHNXCESA-N 1 1 308.407 2.290 20 5 DEBDMO Nc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000895566926 638093625 /nfs/dbraw/zinc/09/36/25/638093625.db2.gz CTEMXYOHBZVQEZ-FZMZJTMJSA-N 1 1 308.407 2.169 20 5 DEBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)o1 ZINC000895650986 638126127 /nfs/dbraw/zinc/12/61/27/638126127.db2.gz XXUXIGLTGZOGLP-ZBEGNZNMSA-N 1 1 300.314 2.421 20 5 DEBDMO C[C@@H]1[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC[N@H+]1C ZINC000895736050 638178205 /nfs/dbraw/zinc/17/82/05/638178205.db2.gz ZYVVLZUJHVMANX-BXKDBHETSA-N 1 1 304.325 2.209 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC3CC4(C3)OCCO4)c2c1 ZINC000896152530 638386701 /nfs/dbraw/zinc/38/67/01/638386701.db2.gz ZEDLAILJZADNRM-UHFFFAOYSA-N 1 1 315.329 2.130 20 5 DEBDMO CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000053245445 638438054 /nfs/dbraw/zinc/43/80/54/638438054.db2.gz KVGZOIBSKQYTIE-NSHDSACASA-N 1 1 311.769 2.414 20 5 DEBDMO C[C@@H](NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000896317104 638467014 /nfs/dbraw/zinc/46/70/14/638467014.db2.gz JCIRAERFQINHMT-JMSVASOKSA-N 1 1 318.377 2.001 20 5 DEBDMO C[C@@H](NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000896611571 638603739 /nfs/dbraw/zinc/60/37/39/638603739.db2.gz BRQFWSYKJGUENB-UXIGCNINSA-N 1 1 318.377 2.001 20 5 DEBDMO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000896622989 638611192 /nfs/dbraw/zinc/61/11/92/638611192.db2.gz XUCQWGKQCZVSJE-MBNYWOFBSA-N 1 1 320.393 2.090 20 5 DEBDMO C[C@H]1C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000751932243 639136950 /nfs/dbraw/zinc/13/69/50/639136950.db2.gz ZGDPQYAJMZMOFR-TXEJJXNPSA-N 1 1 301.350 2.399 20 5 DEBDMO Cc1nn(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c2ccc([N+](=O)[O-])cc12 ZINC000752812864 639222513 /nfs/dbraw/zinc/22/25/13/639222513.db2.gz OGNDLOKCKCVGDG-AAEUAGOBSA-N 1 1 318.377 2.446 20 5 DEBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000728562078 639258173 /nfs/dbraw/zinc/25/81/73/639258173.db2.gz FALYTZPDXMTJAL-AWEZNQCLSA-N 1 1 315.329 2.023 20 5 DEBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CCC[C@H]1C1CC1 ZINC000728562078 639258177 /nfs/dbraw/zinc/25/81/77/639258177.db2.gz FALYTZPDXMTJAL-AWEZNQCLSA-N 1 1 315.329 2.023 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)Cn1cc[nH+]c1C ZINC000753963035 639368039 /nfs/dbraw/zinc/36/80/39/639368039.db2.gz ZLXIKNXDKSZPNO-SNVBAGLBSA-N 1 1 319.317 2.354 20 5 DEBDMO COCC[N@@H+]1CC[C@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872035882 639889109 /nfs/dbraw/zinc/88/91/09/639889109.db2.gz OIHORCUQCGGJOD-RYUDHWBXSA-N 1 1 311.357 2.105 20 5 DEBDMO COCC[N@H+]1CC[C@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872035882 639889113 /nfs/dbraw/zinc/88/91/13/639889113.db2.gz OIHORCUQCGGJOD-RYUDHWBXSA-N 1 1 311.357 2.105 20 5 DEBDMO C[C@@H](C[NH2+]Cc1nnn(C(C)(C)C)n1)c1ccccc1[N+](=O)[O-] ZINC000897459508 640430442 /nfs/dbraw/zinc/43/04/42/640430442.db2.gz ACHIAXCXPJHQMH-NSHDSACASA-N 1 1 318.381 2.230 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000897475910 640454862 /nfs/dbraw/zinc/45/48/62/640454862.db2.gz FOPUQMKEAXOXAD-CYBMUJFWSA-N 1 1 320.393 2.221 20 5 DEBDMO Cc1nn(C[N@@H+](C)C[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc12 ZINC000765057631 640731418 /nfs/dbraw/zinc/73/14/18/640731418.db2.gz CHNNFTFRMXAJOZ-GFCCVEGCSA-N 1 1 304.350 2.179 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000771291431 641490622 /nfs/dbraw/zinc/49/06/22/641490622.db2.gz ZIUPFWCTFWRALX-GHMZBOCLSA-N 1 1 318.377 2.008 20 5 DEBDMO Cc1[nH]ncc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773014700 641717279 /nfs/dbraw/zinc/71/72/79/641717279.db2.gz KGTVUJOYYGXHES-UHFFFAOYSA-N 1 1 315.377 2.385 20 5 DEBDMO Cc1ccc(CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000899180382 641981007 /nfs/dbraw/zinc/98/10/07/641981007.db2.gz VLVGKFPNEPZLKE-ZDUSSCGKSA-N 1 1 305.378 2.392 20 5 DEBDMO O=C(OC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842350863 650715385 /nfs/dbraw/zinc/71/53/85/650715385.db2.gz WAKNISWXONXHPD-ARFHVFGLSA-N 1 1 318.373 2.250 20 5 DEBDMO O=C(OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842350863 650715387 /nfs/dbraw/zinc/71/53/87/650715387.db2.gz WAKNISWXONXHPD-ARFHVFGLSA-N 1 1 318.373 2.250 20 5 DEBDMO O=C(OC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842350863 650715389 /nfs/dbraw/zinc/71/53/89/650715389.db2.gz WAKNISWXONXHPD-ARFHVFGLSA-N 1 1 318.373 2.250 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590574 642189386 /nfs/dbraw/zinc/18/93/86/642189386.db2.gz FAQVKZXSGGHPQR-PBHICJAKSA-N 1 1 321.421 2.292 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCCOCC3)c2)c1 ZINC000777955396 642324906 /nfs/dbraw/zinc/32/49/06/642324906.db2.gz YPGYWESVQSNLBA-UHFFFAOYSA-N 1 1 302.334 2.138 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCCOCC3)c2)c1 ZINC000777955396 642324908 /nfs/dbraw/zinc/32/49/08/642324908.db2.gz YPGYWESVQSNLBA-UHFFFAOYSA-N 1 1 302.334 2.138 20 5 DEBDMO Cc1[nH+]ccn1CCCCOC(=O)c1cccc([N+](=O)[O-])c1N ZINC000778821778 642435913 /nfs/dbraw/zinc/43/59/13/642435913.db2.gz IPSKNGGGCJNOJQ-UHFFFAOYSA-N 1 1 318.333 2.319 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900697407 642439982 /nfs/dbraw/zinc/43/99/82/642439982.db2.gz AHAHQPXQKQPYIZ-UHFFFAOYSA-N 1 1 317.748 2.457 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000347058479 642999399 /nfs/dbraw/zinc/99/93/99/642999399.db2.gz WOXFLHFQBLCGGO-SWLSCSKDSA-N 1 1 322.361 2.247 20 5 DEBDMO COc1nn(C)cc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000903337198 643318775 /nfs/dbraw/zinc/31/87/75/643318775.db2.gz URDNOMFAACCNJT-LLVKDONJSA-N 1 1 304.350 2.496 20 5 DEBDMO Cc1c(Cc2noc(C[C@H]3CC[N@H+](C)C3)n2)cccc1[N+](=O)[O-] ZINC000904023675 643545059 /nfs/dbraw/zinc/54/50/59/643545059.db2.gz SFMNYCKUEGCPNM-GFCCVEGCSA-N 1 1 316.361 2.371 20 5 DEBDMO CC(C)CC(N)=[NH+]O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000789587651 643751648 /nfs/dbraw/zinc/75/16/48/643751648.db2.gz INPYRGSPCHKBGT-CYBMUJFWSA-N 1 1 320.349 2.245 20 5 DEBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000790431205 643851887 /nfs/dbraw/zinc/85/18/87/643851887.db2.gz NZTSMTXQXAKERW-APHBMKBZSA-N 1 1 308.378 2.254 20 5 DEBDMO COc1cc(C(=O)NCC[N@H+]2CCC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000792460157 644116023 /nfs/dbraw/zinc/11/60/23/644116023.db2.gz RKHCMCBSNLMSPN-LLVKDONJSA-N 1 1 321.377 2.126 20 5 DEBDMO CC[NH2+]Cc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000843145022 650907024 /nfs/dbraw/zinc/90/70/24/650907024.db2.gz RQOFSLNNEBJEOB-UHFFFAOYSA-N 1 1 317.349 2.355 20 5 DEBDMO Cc1nn(C[N@H+]2CCC[C@@](C)(O)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000794674250 644458073 /nfs/dbraw/zinc/45/80/73/644458073.db2.gz XVYKAUVYHVBKJW-MRXNPFEDSA-N 1 1 318.377 2.447 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC2(CC2)C(=O)O1 ZINC000796112017 644687341 /nfs/dbraw/zinc/68/73/41/644687341.db2.gz FASIIFJCWZGPAX-CYBMUJFWSA-N 1 1 304.346 2.165 20 5 DEBDMO CC[C@@H]1CC(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000800865375 645314219 /nfs/dbraw/zinc/31/42/19/645314219.db2.gz AQRGMHGTBAIPGC-CYBMUJFWSA-N 1 1 305.378 2.285 20 5 DEBDMO CC[C@@H]1CC(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000800865375 645314226 /nfs/dbraw/zinc/31/42/26/645314226.db2.gz AQRGMHGTBAIPGC-CYBMUJFWSA-N 1 1 305.378 2.285 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000804382214 645763393 /nfs/dbraw/zinc/76/33/93/645763393.db2.gz YRQHYPGUWSPUPV-NSHDSACASA-N 1 1 309.341 2.209 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000804382214 645763396 /nfs/dbraw/zinc/76/33/96/645763396.db2.gz YRQHYPGUWSPUPV-NSHDSACASA-N 1 1 309.341 2.209 20 5 DEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804461576 645775221 /nfs/dbraw/zinc/77/52/21/645775221.db2.gz MCLCMASHXDGDIL-LLVKDONJSA-N 1 1 308.338 2.281 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c(F)c1 ZINC000808453526 646086716 /nfs/dbraw/zinc/08/67/16/646086716.db2.gz HMWLKQJWFJCFQT-GOEBONIOSA-N 1 1 318.304 2.318 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810838359 646432553 /nfs/dbraw/zinc/43/25/53/646432553.db2.gz OVEHSAFSQCZAGF-AAEUAGOBSA-N 1 1 320.345 2.387 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000811601633 646549425 /nfs/dbraw/zinc/54/94/25/646549425.db2.gz XJBRCTVFNPSCMH-GFCCVEGCSA-N 1 1 322.409 2.336 20 5 DEBDMO C[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@@H]1CCOC1 ZINC000730259961 646871714 /nfs/dbraw/zinc/87/17/14/646871714.db2.gz YWRTZTFVCMQAON-OAHLLOKOSA-N 1 1 302.334 2.137 20 5 DEBDMO C[N@@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@@H]1CCOC1 ZINC000730259961 646871717 /nfs/dbraw/zinc/87/17/17/646871717.db2.gz YWRTZTFVCMQAON-OAHLLOKOSA-N 1 1 302.334 2.137 20 5 DEBDMO CC(C)[N@H+](CC1CC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000915209061 647496281 /nfs/dbraw/zinc/49/62/81/647496281.db2.gz RMUXGHPZLNLVPJ-UHFFFAOYSA-N 1 1 317.345 2.269 20 5 DEBDMO CC(C)[N@@H+](CC1CC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000915209061 647496282 /nfs/dbraw/zinc/49/62/82/647496282.db2.gz RMUXGHPZLNLVPJ-UHFFFAOYSA-N 1 1 317.345 2.269 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000818978128 647555999 /nfs/dbraw/zinc/55/59/99/647555999.db2.gz RYSHBLFXDIHCMN-SECBINFHSA-N 1 1 313.304 2.039 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000818978128 647556001 /nfs/dbraw/zinc/55/60/01/647556001.db2.gz RYSHBLFXDIHCMN-SECBINFHSA-N 1 1 313.304 2.039 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000819174820 647600949 /nfs/dbraw/zinc/60/09/49/647600949.db2.gz YEBBCVYZCROSSA-KGLIPLIRSA-N 1 1 302.334 2.019 20 5 DEBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000819904519 647737407 /nfs/dbraw/zinc/73/74/07/647737407.db2.gz SGHYPCPRBDCKNK-CQSZACIVSA-N 1 1 306.366 2.030 20 5 DEBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000819904519 647737422 /nfs/dbraw/zinc/73/74/22/647737422.db2.gz SGHYPCPRBDCKNK-CQSZACIVSA-N 1 1 306.366 2.030 20 5 DEBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000819905220 647738060 /nfs/dbraw/zinc/73/80/60/647738060.db2.gz YAPWONFESQSJNQ-CQSZACIVSA-N 1 1 306.366 2.030 20 5 DEBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000819905220 647738066 /nfs/dbraw/zinc/73/80/66/647738066.db2.gz YAPWONFESQSJNQ-CQSZACIVSA-N 1 1 306.366 2.030 20 5 DEBDMO Cc1ccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000825648099 648793785 /nfs/dbraw/zinc/79/37/85/648793785.db2.gz LMPYRMRMLSYKEA-BETUJISGSA-N 1 1 305.378 2.392 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Cl)CC[C@H]21 ZINC000827253578 649002212 /nfs/dbraw/zinc/00/22/12/649002212.db2.gz IYDOYMAFIMZGTQ-ZYHUDNBSSA-N 1 1 323.780 2.414 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000831165791 649547435 /nfs/dbraw/zinc/54/74/35/649547435.db2.gz MZLFRDJWVHCBQX-WCXIOVBPSA-N 1 1 320.389 2.254 20 5 DEBDMO CC1(C)C[C@@H](O)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832151779 649679060 /nfs/dbraw/zinc/67/90/60/649679060.db2.gz AKJQBRDRXMGVMX-GJZGRUSLSA-N 1 1 308.378 2.111 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832778736 649744940 /nfs/dbraw/zinc/74/49/40/649744940.db2.gz OWMQBIFOLOWDGA-HZPDHXFCSA-N 1 1 307.394 2.043 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000834377663 649788876 /nfs/dbraw/zinc/78/88/76/649788876.db2.gz GPTYGLNUOHEJBG-BRWVUGGUSA-N 1 1 318.373 2.272 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000834377663 649788880 /nfs/dbraw/zinc/78/88/80/649788880.db2.gz GPTYGLNUOHEJBG-BRWVUGGUSA-N 1 1 318.373 2.272 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000834377664 649789009 /nfs/dbraw/zinc/78/90/09/649789009.db2.gz GPTYGLNUOHEJBG-IKGGRYGDSA-N 1 1 318.373 2.272 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000834377664 649789011 /nfs/dbraw/zinc/78/90/11/649789011.db2.gz GPTYGLNUOHEJBG-IKGGRYGDSA-N 1 1 318.373 2.272 20 5 DEBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC000847657788 651408784 /nfs/dbraw/zinc/40/87/84/651408784.db2.gz VIBOIFOGQBCGKP-LLVKDONJSA-N 1 1 303.362 2.134 20 5 DEBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000848370917 651454808 /nfs/dbraw/zinc/45/48/08/651454808.db2.gz CVGGRCVMCRGJBM-UKVQZPPCSA-N 1 1 303.362 2.161 20 5 DEBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000848370917 651454809 /nfs/dbraw/zinc/45/48/09/651454809.db2.gz CVGGRCVMCRGJBM-UKVQZPPCSA-N 1 1 303.362 2.161 20 5 DEBDMO CNc1nccc(C(=O)OCC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000848790011 651520591 /nfs/dbraw/zinc/52/05/91/651520591.db2.gz LFYLZYQFQDGRAH-LLVKDONJSA-N 1 1 322.365 2.063 20 5 DEBDMO CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](CC)C1 ZINC000855491110 651709176 /nfs/dbraw/zinc/70/91/76/651709176.db2.gz NWXOXOSIIFWADJ-GFCCVEGCSA-N 1 1 309.341 2.290 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000857858531 652187967 /nfs/dbraw/zinc/18/79/67/652187967.db2.gz KZJKAFILDHCEHE-CQSZACIVSA-N 1 1 302.334 2.364 20 5 DEBDMO CC[N@H+](C[C@@H](C)OC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853513529 652560136 /nfs/dbraw/zinc/56/01/36/652560136.db2.gz AQUIFZXFJFBEFL-GFCCVEGCSA-N 1 1 319.365 2.168 20 5 DEBDMO CC[N@@H+](C[C@@H](C)OC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853513529 652560137 /nfs/dbraw/zinc/56/01/37/652560137.db2.gz AQUIFZXFJFBEFL-GFCCVEGCSA-N 1 1 319.365 2.168 20 5 DEBDMO C[N@H+](C[C@H]1CC1(C)C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000853627445 652580738 /nfs/dbraw/zinc/58/07/38/652580738.db2.gz VGGVWIVOVCOZHI-SNVBAGLBSA-N 1 1 305.334 2.438 20 5 DEBDMO C[N@@H+](C[C@H]1CC1(C)C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000853627445 652580741 /nfs/dbraw/zinc/58/07/41/652580741.db2.gz VGGVWIVOVCOZHI-SNVBAGLBSA-N 1 1 305.334 2.438 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(Cc2noc(C[NH2+]C(C)C)n2)c1 ZINC000854153802 652647888 /nfs/dbraw/zinc/64/78/88/652647888.db2.gz UNKAYLIBDDHSPL-UHFFFAOYSA-N 1 1 306.322 2.075 20 5 DEBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000119813547 684087758 /nfs/dbraw/zinc/08/77/58/684087758.db2.gz NGEFSPLAYSYZHF-ZDUSSCGKSA-N 1 1 304.325 2.453 20 5 DEBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000119813547 684087760 /nfs/dbraw/zinc/08/77/60/684087760.db2.gz NGEFSPLAYSYZHF-ZDUSSCGKSA-N 1 1 304.325 2.453 20 5 DEBDMO COCC[N@@H+]1[C@H](C)CN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000130464078 684189306 /nfs/dbraw/zinc/18/93/06/684189306.db2.gz AWDXGCQQVJWLNE-TXEJJXNPSA-N 1 1 313.423 2.197 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000929117963 693899610 /nfs/dbraw/zinc/89/96/10/693899610.db2.gz DAZVHXAMAHRRHC-ZDUSSCGKSA-N 1 1 306.366 2.461 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000246254702 685126575 /nfs/dbraw/zinc/12/65/75/685126575.db2.gz JWJNGFRUVMFUOF-WBMJQRKESA-N 1 1 306.362 2.129 20 5 DEBDMO Cn1cc(CC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)nn1 ZINC000859167707 685671106 /nfs/dbraw/zinc/67/11/06/685671106.db2.gz AZFTXEKPPMLLGT-UHFFFAOYSA-N 1 1 309.757 2.051 20 5 DEBDMO Cn1cc(CC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)nn1 ZINC000859167707 685671108 /nfs/dbraw/zinc/67/11/08/685671108.db2.gz AZFTXEKPPMLLGT-UHFFFAOYSA-N 1 1 309.757 2.051 20 5 DEBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000861345275 686049971 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XAOHSIHSBFNWHZ-FZMZJTMJSA-N 1 1 322.361 2.310 20 5 DEBDMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3cccc([N+](=O)[O-])c3)C[N@H+]2C1 ZINC001346369429 1150975717 /nfs/dbraw/zinc/97/57/17/1150975717.db2.gz QZGIZVLFTZJURP-SNPRPXQTSA-N 1 1 317.389 2.331 20 5 DEBDMO COc1ccc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC001526687723 1070335199 /nfs/dbraw/zinc/33/51/99/1070335199.db2.gz IUDIZACAVYDWFV-GHMZBOCLSA-N 1 1 322.365 2.160 20 5 DEBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001458329921 1058056836 /nfs/dbraw/zinc/05/68/36/1058056836.db2.gz GQHROSMHACVKKI-NSHDSACASA-N 1 1 321.406 2.273 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC[C@@]23CCOC3)cc1 ZINC001460959294 1058554118 /nfs/dbraw/zinc/55/41/18/1058554118.db2.gz MRBLFLXXMWJJDK-HOTGVXAUSA-N 1 1 306.362 2.273 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001465899235 1059380894 /nfs/dbraw/zinc/38/08/94/1059380894.db2.gz ABWJEOPIEHOHDU-CABZTGNLSA-N 1 1 323.780 2.461 20 5 DEBDMO Nc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cc1[N+](=O)[O-] ZINC001468695087 1059836106 /nfs/dbraw/zinc/83/61/06/1059836106.db2.gz SPRSOPOHWOIZFQ-YPMHNXCESA-N 1 1 304.350 2.132 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001477214040 1061155232 /nfs/dbraw/zinc/15/52/32/1061155232.db2.gz VMKOPODAHDXCMS-LBPRGKRZSA-N 1 1 306.366 2.461 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001618831079 1078160133 /nfs/dbraw/zinc/16/01/33/1078160133.db2.gz QMIGWEIEWXMURH-ZDUSSCGKSA-N 1 1 320.393 2.293 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC001329175902 1148871742 /nfs/dbraw/zinc/87/17/42/1148871742.db2.gz HFPBQRCWFWNKRE-GFCCVEGCSA-N 1 1 320.393 2.098 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000044564347 1078341642 /nfs/dbraw/zinc/34/16/42/1078341642.db2.gz RBSBKJOVIBZDAZ-NSHDSACASA-N 1 1 311.769 2.462 20 5 DEBDMO C[C@@H](OC(=O)c1csc(C[NH3+])n1)c1ccccc1[N+](=O)[O-] ZINC001579420362 1067335276 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DEBDMO Cc1noc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595398478 358439345 /nfs/dbraw/zinc/43/93/45/358439345.db2.gz QDXPEGFJSDVOKP-CQSZACIVSA-N 1 1 316.361 2.380 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCN2CCOCC2)CC2CC2)c1 ZINC000595806727 358552248 /nfs/dbraw/zinc/55/22/48/358552248.db2.gz FRURBSIIRCNUFJ-UHFFFAOYSA-N 1 1 319.405 2.139 20 5 DEBDMO COCC[N@@H+](C)CCCNc1cc(OC)c(C)cc1[N+](=O)[O-] ZINC000596075175 358604529 /nfs/dbraw/zinc/60/45/29/358604529.db2.gz YKSGCHCYNQBAGG-UHFFFAOYSA-N 1 1 311.382 2.292 20 5 DEBDMO Cc1cc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])s1 ZINC000596127957 358617951 /nfs/dbraw/zinc/61/79/51/358617951.db2.gz DJZPOGKUIZJYGG-ZDUSSCGKSA-N 1 1 324.450 2.181 20 5 DEBDMO Cn1cc[nH+]c1[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596174143 358629699 /nfs/dbraw/zinc/62/96/99/358629699.db2.gz IEIJIEJWMMJZPI-VIFPVBQESA-N 1 1 307.741 2.371 20 5 DEBDMO CC1(C)CCC[N@@H+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596212091 358641489 /nfs/dbraw/zinc/64/14/89/358641489.db2.gz ACJWOPZDKMOELP-UHFFFAOYSA-N 1 1 320.393 2.228 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000596434407 358686354 /nfs/dbraw/zinc/68/63/54/358686354.db2.gz XZHJOTNRYAYQSA-OLZOCXBDSA-N 1 1 323.393 2.262 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000596434407 358686357 /nfs/dbraw/zinc/68/63/57/358686357.db2.gz XZHJOTNRYAYQSA-OLZOCXBDSA-N 1 1 323.393 2.262 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000597921802 359041373 /nfs/dbraw/zinc/04/13/73/359041373.db2.gz BOVUQDMQUJMSDT-JTQLQIEISA-N 1 1 309.341 2.337 20 5 DEBDMO CNc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597925378 359043265 /nfs/dbraw/zinc/04/32/65/359043265.db2.gz NZPFEKOTEDOHQK-LBPRGKRZSA-N 1 1 320.393 2.239 20 5 DEBDMO CNc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597925377 359043819 /nfs/dbraw/zinc/04/38/19/359043819.db2.gz NZPFEKOTEDOHQK-GFCCVEGCSA-N 1 1 320.393 2.239 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597925943 359044121 /nfs/dbraw/zinc/04/41/21/359044121.db2.gz YXUUGHRVPXIFHT-NSHDSACASA-N 1 1 309.341 2.337 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000598342287 359168475 /nfs/dbraw/zinc/16/84/75/359168475.db2.gz LSHFZZFKRWCTKA-LLVKDONJSA-N 1 1 316.361 2.290 20 5 DEBDMO Cc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccn1 ZINC000598597256 359255191 /nfs/dbraw/zinc/25/51/91/359255191.db2.gz YOADSAVAHUCCHW-CQSZACIVSA-N 1 1 313.361 2.380 20 5 DEBDMO C[C@@H](C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000599633272 359548808 /nfs/dbraw/zinc/54/88/08/359548808.db2.gz PFEKYEWWPDDCBB-BBRMVZONSA-N 1 1 324.425 2.300 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC3(CC3)C2)c1 ZINC000186975039 200041588 /nfs/dbraw/zinc/04/15/88/200041588.db2.gz NGJGWLPZGNFWGW-CQSZACIVSA-N 1 1 306.362 2.211 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600311005 359718873 /nfs/dbraw/zinc/71/88/73/359718873.db2.gz NFBKQHMYDFOVBQ-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000600314190 359719760 /nfs/dbraw/zinc/71/97/60/359719760.db2.gz MVZWLQJXMMKJFA-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000600998707 359887888 /nfs/dbraw/zinc/88/78/88/359887888.db2.gz PHTJFQLYQMNNEQ-RYUDHWBXSA-N 1 1 307.325 2.091 20 5 DEBDMO CC(C)C(=O)NCCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601135020 359935597 /nfs/dbraw/zinc/93/55/97/359935597.db2.gz JYLGMPVNZHQANP-UHFFFAOYSA-N 1 1 316.361 2.139 20 5 DEBDMO COCCO[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601151322 359942912 /nfs/dbraw/zinc/94/29/12/359942912.db2.gz WCJSOOZYCQFWJO-ZDUSSCGKSA-N 1 1 317.345 2.385 20 5 DEBDMO C[C@H](Cc1cnn(C)c1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601171366 359951434 /nfs/dbraw/zinc/95/14/34/359951434.db2.gz KBLDNCDDLKMOKC-LLVKDONJSA-N 1 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ZINC000602738210 360528889 /nfs/dbraw/zinc/52/88/89/360528889.db2.gz AUBARHANEUNBSX-INIZCTEOSA-N 1 1 324.377 2.349 20 5 DEBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602779227 360549903 /nfs/dbraw/zinc/54/99/03/360549903.db2.gz LILUJPZIYBQERQ-OLZOCXBDSA-N 1 1 310.398 2.235 20 5 DEBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000602835577 360579933 /nfs/dbraw/zinc/57/99/33/360579933.db2.gz ZLMOIDGWAWGVIY-CYBMUJFWSA-N 1 1 310.398 2.379 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000602838009 360582182 /nfs/dbraw/zinc/58/21/82/360582182.db2.gz RHGNJGWWCFWGAA-CQSZACIVSA-N 1 1 310.423 2.319 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000602839708 360583203 /nfs/dbraw/zinc/58/32/03/360583203.db2.gz XDWLLHXHCKCGNB-HIFRSBDPSA-N 1 1 320.393 2.133 20 5 DEBDMO COC(=O)C[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000604305052 360895666 /nfs/dbraw/zinc/89/56/66/360895666.db2.gz 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CCC[N@H+]1CCC[C@@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089301571 401941525 /nfs/dbraw/zinc/94/15/25/401941525.db2.gz XAHXKFTWNHGHBS-OAHLLOKOSA-N 1 1 305.378 2.128 20 5 DEBDMO Cc1cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc([N+](=O)[O-])c1 ZINC000119344661 401942926 /nfs/dbraw/zinc/94/29/26/401942926.db2.gz CXKFRQAPUHIDLS-CZUORRHYSA-N 1 1 317.389 2.460 20 5 DEBDMO Cc1c(C[N@@H+]2CCOC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000135647907 401949592 /nfs/dbraw/zinc/94/95/92/401949592.db2.gz MRZHSLYLPURZNQ-UHFFFAOYSA-N 1 1 306.362 2.285 20 5 DEBDMO Cc1c(C[N@H+]2CCOC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000135647907 401949594 /nfs/dbraw/zinc/94/95/94/401949594.db2.gz MRZHSLYLPURZNQ-UHFFFAOYSA-N 1 1 306.362 2.285 20 5 DEBDMO CCCC[N@@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000121444817 402036075 /nfs/dbraw/zinc/03/60/75/402036075.db2.gz PKAVLOGZEODZJW-UHFFFAOYSA-N 1 1 323.393 2.326 20 5 DEBDMO COCCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092536911 402005961 /nfs/dbraw/zinc/00/59/61/402005961.db2.gz NFPWQYBHIVSCCR-UHFFFAOYSA-N 1 1 318.377 2.464 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1(O)CCCC1 ZINC000152328309 402090031 /nfs/dbraw/zinc/09/00/31/402090031.db2.gz HSXWUBGJZYWLJO-LBPRGKRZSA-N 1 1 321.377 2.159 20 5 DEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1(O)CCCC1 ZINC000151948339 402067131 /nfs/dbraw/zinc/06/71/31/402067131.db2.gz URKULLHCCCYHRN-UHFFFAOYSA-N 1 1 322.361 2.198 20 5 DEBDMO COCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000066379059 402132601 /nfs/dbraw/zinc/13/26/01/402132601.db2.gz LFENQTXPYFLBGJ-GFCCVEGCSA-N 1 1 309.366 2.199 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153572641 402153958 /nfs/dbraw/zinc/15/39/58/402153958.db2.gz KSMBXPKGZYBAPS-WBMJQRKESA-N 1 1 319.361 2.034 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000067179172 402154209 /nfs/dbraw/zinc/15/42/09/402154209.db2.gz PNRSFJGTPXUFPZ-JOZWUWCOSA-N 1 1 303.362 2.209 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000154062541 402189861 /nfs/dbraw/zinc/18/98/61/402189861.db2.gz QTJIMQXDQCWCAR-OAHLLOKOSA-N 1 1 305.378 2.315 20 5 DEBDMO COc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000154118697 402193550 /nfs/dbraw/zinc/19/35/50/402193550.db2.gz ZLQHTJOKCGOWEB-CQSZACIVSA-N 1 1 321.377 2.016 20 5 DEBDMO COc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000154118697 402193553 /nfs/dbraw/zinc/19/35/53/402193553.db2.gz ZLQHTJOKCGOWEB-CQSZACIVSA-N 1 1 321.377 2.016 20 5 DEBDMO COC(=O)CC[N@@H+](CC(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153822451 402172545 /nfs/dbraw/zinc/17/25/45/402172545.db2.gz BVYGHYBPCHVUQC-HNNXBMFYSA-N 1 1 324.377 2.149 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000155869657 402269694 /nfs/dbraw/zinc/26/96/94/402269694.db2.gz FTCHGJCCXCXXNA-OAHLLOKOSA-N 1 1 323.368 2.075 20 5 DEBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cnn(C)c1 ZINC000161137033 402374533 /nfs/dbraw/zinc/37/45/33/402374533.db2.gz SZIWOVASSZWNDZ-UHFFFAOYSA-N 1 1 304.350 2.229 20 5 DEBDMO Cc1c(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000177198833 402381056 /nfs/dbraw/zinc/38/10/56/402381056.db2.gz DWJXUEWIHPUHOY-JQWIXIFHSA-N 1 1 303.362 2.258 20 5 DEBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1cnccn1 ZINC000177242572 402384916 /nfs/dbraw/zinc/38/49/16/402384916.db2.gz VGMWDMHLUGZVIY-UHFFFAOYSA-N 1 1 302.334 2.286 20 5 DEBDMO CCN(C)C(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185176957 402331209 /nfs/dbraw/zinc/33/12/09/402331209.db2.gz IEGBIIDBNSXYHI-UHFFFAOYSA-N 1 1 317.345 2.423 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000161940366 402404689 /nfs/dbraw/zinc/40/46/89/402404689.db2.gz GUWLXFPFVRECDC-OAHLLOKOSA-N 1 1 319.405 2.231 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](OCCO)C2)ccc1Cl ZINC000178019386 402452716 /nfs/dbraw/zinc/45/27/16/402452716.db2.gz OJIQZKMFAZXKIF-LBPRGKRZSA-N 1 1 314.769 2.222 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](OCCO)C2)ccc1Cl ZINC000178019386 402452717 /nfs/dbraw/zinc/45/27/17/402452717.db2.gz OJIQZKMFAZXKIF-LBPRGKRZSA-N 1 1 314.769 2.222 20 5 DEBDMO Cc1cc(C)c2c(c1)C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000186718081 402458839 /nfs/dbraw/zinc/45/88/39/402458839.db2.gz XXWFJNKUAXFPIR-UHFFFAOYSA-N 1 1 300.362 2.466 20 5 DEBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000245533709 402468499 /nfs/dbraw/zinc/46/84/99/402468499.db2.gz DODRWNYDEGGLPB-IUODEOHRSA-N 1 1 321.377 2.016 20 5 DEBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000245533709 402468503 /nfs/dbraw/zinc/46/85/03/402468503.db2.gz DODRWNYDEGGLPB-IUODEOHRSA-N 1 1 321.377 2.016 20 5 DEBDMO COCCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000189680693 402552077 /nfs/dbraw/zinc/55/20/77/402552077.db2.gz NHAIMJHHYORMSR-ZDUSSCGKSA-N 1 1 314.769 2.486 20 5 DEBDMO COCCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000189680693 402552080 /nfs/dbraw/zinc/55/20/80/402552080.db2.gz NHAIMJHHYORMSR-ZDUSSCGKSA-N 1 1 314.769 2.486 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000247117849 402557638 /nfs/dbraw/zinc/55/76/38/402557638.db2.gz RMVAAKGLWJYSFO-QWHCGFSZSA-N 1 1 321.377 2.199 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000179571743 402595364 /nfs/dbraw/zinc/59/53/64/402595364.db2.gz KOVVMHTTWFTCBM-YFCVBGDOSA-N 1 1 306.362 2.081 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000249740875 402639961 /nfs/dbraw/zinc/63/99/61/402639961.db2.gz IGFOTKFQBBFJHY-VXGBXAGGSA-N 1 1 321.377 2.341 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000181388725 402643454 /nfs/dbraw/zinc/64/34/54/402643454.db2.gz LRSOVXSQQKFMNX-TZMCWYRMSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1[C@H](C)CCC[C@@H]1CO ZINC000181388725 402643456 /nfs/dbraw/zinc/64/34/56/402643456.db2.gz LRSOVXSQQKFMNX-TZMCWYRMSA-N 1 1 321.377 2.077 20 5 DEBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255841259 402696895 /nfs/dbraw/zinc/69/68/95/402696895.db2.gz DWNDQPOZFWBYQZ-JWINAJMKSA-N 1 1 317.389 2.453 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)n1 ZINC000183384970 402762048 /nfs/dbraw/zinc/76/20/48/402762048.db2.gz FDGRREUDNDCGKS-AWEZNQCLSA-N 1 1 320.324 2.084 20 5 DEBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)(C)C ZINC000263764907 402801102 /nfs/dbraw/zinc/80/11/02/402801102.db2.gz IZDVQAAYPHVYQT-UHFFFAOYSA-N 1 1 305.378 2.462 20 5 DEBDMO Cc1c(NC(=O)N(C)CC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000183940922 402806925 /nfs/dbraw/zinc/80/69/25/402806925.db2.gz OQAPICQSTOZDHJ-UHFFFAOYSA-N 1 1 306.366 2.461 20 5 DEBDMO COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)O)c([N+](=O)[O-])cc1F ZINC000184211110 402826959 /nfs/dbraw/zinc/82/69/59/402826959.db2.gz DTMZKIGBTSRTMY-MFKMUULPSA-N 1 1 312.341 2.478 20 5 DEBDMO COc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)O)c([N+](=O)[O-])cc1F ZINC000184211110 402826961 /nfs/dbraw/zinc/82/69/61/402826961.db2.gz DTMZKIGBTSRTMY-MFKMUULPSA-N 1 1 312.341 2.478 20 5 DEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183632911 402783896 /nfs/dbraw/zinc/78/38/96/402783896.db2.gz OBDWCSZKSSTVPY-GFCCVEGCSA-N 1 1 321.381 2.376 20 5 DEBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@H]1O ZINC000272512157 402946639 /nfs/dbraw/zinc/94/66/39/402946639.db2.gz KENHDHAGHMOXGU-IMJJTQAJSA-N 1 1 308.378 2.111 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272562815 402953579 /nfs/dbraw/zinc/95/35/79/402953579.db2.gz ULGFHNGZPFASRH-ZBFHGGJFSA-N 1 1 317.389 2.080 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000279842615 402963776 /nfs/dbraw/zinc/96/37/76/402963776.db2.gz AQQFSILISBBRAF-INIZCTEOSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000279842615 402963778 /nfs/dbraw/zinc/96/37/78/402963778.db2.gz AQQFSILISBBRAF-INIZCTEOSA-N 1 1 321.377 2.079 20 5 DEBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000273346702 402996630 /nfs/dbraw/zinc/99/66/30/402996630.db2.gz OQJKKWGYGKYYAW-QWHCGFSZSA-N 1 1 308.378 2.455 20 5 DEBDMO CCC(C)(C)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273106120 402972221 /nfs/dbraw/zinc/97/22/21/402972221.db2.gz FTXYTCZCEUVAPI-UHFFFAOYSA-N 1 1 314.407 2.489 20 5 DEBDMO CCC(C)(C)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273106120 402972224 /nfs/dbraw/zinc/97/22/24/402972224.db2.gz FTXYTCZCEUVAPI-UHFFFAOYSA-N 1 1 314.407 2.489 20 5 DEBDMO CSCCC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000281321472 403064710 /nfs/dbraw/zinc/06/47/10/403064710.db2.gz ITJOSENLHPRRGJ-UHFFFAOYSA-N 1 1 323.418 2.169 20 5 DEBDMO CSCCC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000281321472 403064712 /nfs/dbraw/zinc/06/47/12/403064712.db2.gz ITJOSENLHPRRGJ-UHFFFAOYSA-N 1 1 323.418 2.169 20 5 DEBDMO Cc1c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268238859 403065210 /nfs/dbraw/zinc/06/52/10/403065210.db2.gz OLPWAEQSHQRFQI-YGRLFVJLSA-N 1 1 303.362 2.116 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000268243962 403065825 /nfs/dbraw/zinc/06/58/25/403065825.db2.gz VNRDMKFWBOACJM-YMTOWFKASA-N 1 1 323.780 2.461 20 5 DEBDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000281731943 403086371 /nfs/dbraw/zinc/08/63/71/403086371.db2.gz PVEQZUIGUMPKPX-TZMCWYRMSA-N 1 1 321.377 2.341 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000281731943 403086373 /nfs/dbraw/zinc/08/63/73/403086373.db2.gz PVEQZUIGUMPKPX-TZMCWYRMSA-N 1 1 321.377 2.341 20 5 DEBDMO C[C@H](O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269785346 403165934 /nfs/dbraw/zinc/16/59/34/403165934.db2.gz HVFIGGARKOPWPB-RWMBFGLXSA-N 1 1 321.377 2.157 20 5 DEBDMO CCOCCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282345225 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302.334 2.114 20 5 DEBDMO C[N@@H+]1CCCC12CCN(Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000407992468 405085112 /nfs/dbraw/zinc/08/51/12/405085112.db2.gz DYDWEPJONCWLPA-UHFFFAOYSA-N 1 1 305.378 2.361 20 5 DEBDMO C[N@H+]1CCCC12CCN(Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000407992468 405085115 /nfs/dbraw/zinc/08/51/15/405085115.db2.gz DYDWEPJONCWLPA-UHFFFAOYSA-N 1 1 305.378 2.361 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000354217417 405104699 /nfs/dbraw/zinc/10/46/99/405104699.db2.gz LSQXVLNZXUQWHR-CYBMUJFWSA-N 1 1 319.405 2.425 20 5 DEBDMO CC[N@H+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000354217417 405104703 /nfs/dbraw/zinc/10/47/03/405104703.db2.gz LSQXVLNZXUQWHR-CYBMUJFWSA-N 1 1 319.405 2.425 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000408102110 405112975 /nfs/dbraw/zinc/11/29/75/405112975.db2.gz ABALNKBEYQZPNO-DTWKUNHWSA-N 1 1 307.379 2.128 20 5 DEBDMO Cc1cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] 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FIQRPEWPMSFFIL-QWRGUYRKSA-N 1 1 305.334 2.186 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000426474603 405362451 /nfs/dbraw/zinc/36/24/51/405362451.db2.gz UTSKSRYEBZKMRU-BXUZGUMPSA-N 1 1 319.361 2.416 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000421501920 405521451 /nfs/dbraw/zinc/52/14/51/405521451.db2.gz DMXIOIQWIIBNRA-TZMCWYRMSA-N 1 1 305.378 2.424 20 5 DEBDMO COc1cc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1C ZINC000421715058 405610410 /nfs/dbraw/zinc/61/04/10/405610410.db2.gz XABCSUORPVBLOB-CYBMUJFWSA-N 1 1 321.377 2.078 20 5 DEBDMO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000449503494 405585977 /nfs/dbraw/zinc/58/59/77/405585977.db2.gz UFPMSQQLXGSXRY-CYBMUJFWSA-N 1 1 301.350 2.103 20 5 DEBDMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000449503494 405585982 /nfs/dbraw/zinc/58/59/82/405585982.db2.gz UFPMSQQLXGSXRY-CYBMUJFWSA-N 1 1 301.350 2.103 20 5 DEBDMO COC(=O)Cc1ccc(N[C@H]2CCC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000450432618 405894043 /nfs/dbraw/zinc/89/40/43/405894043.db2.gz BCEDJKCHRTZMPE-AAEUAGOBSA-N 1 1 321.377 2.205 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000433015955 405851377 /nfs/dbraw/zinc/85/13/77/405851377.db2.gz ZORDRRZMBNTECW-OAHLLOKOSA-N 1 1 306.362 2.483 20 5 DEBDMO O=[N+]([O-])c1cc(F)c(NC[C@H]2CCC[N@@H+]2CCCO)c(F)c1 ZINC000450590831 405967273 /nfs/dbraw/zinc/96/72/73/405967273.db2.gz DTMVKSVSQGQVID-SNVBAGLBSA-N 1 1 315.320 2.132 20 5 DEBDMO COc1cccc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000562467822 406015143 /nfs/dbraw/zinc/01/51/43/406015143.db2.gz FMMLDXOOJKVMAJ-GFCCVEGCSA-N 1 1 321.377 2.064 20 5 DEBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000532978640 406112769 /nfs/dbraw/zinc/11/27/69/406112769.db2.gz KLMSALLSLPWWAI-UHFFFAOYSA-N 1 1 307.350 2.416 20 5 DEBDMO C[C@@H](c1ccccn1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000533220856 406130833 /nfs/dbraw/zinc/13/08/33/406130833.db2.gz MFOUQDWNMNDNIN-ZDUSSCGKSA-N 1 1 313.361 2.268 20 5 DEBDMO C[C@H](c1ccccn1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000533220855 406131314 /nfs/dbraw/zinc/13/13/14/406131314.db2.gz MFOUQDWNMNDNIN-CYBMUJFWSA-N 1 1 313.361 2.268 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000518788576 406159308 /nfs/dbraw/zinc/15/93/08/406159308.db2.gz NMYBWCJKGBCBFG-BETUJISGSA-N 1 1 322.409 2.031 20 5 DEBDMO C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000519853843 406262824 /nfs/dbraw/zinc/26/28/24/406262824.db2.gz LWCIQPXFVILDFW-YPMHNXCESA-N 1 1 303.362 2.051 20 5 DEBDMO Cc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000488711251 406340505 /nfs/dbraw/zinc/34/05/05/406340505.db2.gz HMLOYISLUXJHRF-OUCADQQQSA-N 1 1 304.394 2.465 20 5 DEBDMO CSc1ccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000524776216 406459972 /nfs/dbraw/zinc/45/99/72/406459972.db2.gz DKTZXBUZLOMGTC-NSHDSACASA-N 1 1 323.418 2.388 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524776271 406460502 /nfs/dbraw/zinc/46/05/02/406460502.db2.gz MLQFOUVUGSCIHN-CYBMUJFWSA-N 1 1 319.405 2.330 20 5 DEBDMO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000548754304 406549830 /nfs/dbraw/zinc/54/98/30/406549830.db2.gz SRJOLKDHDUCCQV-WBMJQRKESA-N 1 1 306.362 2.473 20 5 DEBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000548754304 406549831 /nfs/dbraw/zinc/54/98/31/406549831.db2.gz SRJOLKDHDUCCQV-WBMJQRKESA-N 1 1 306.362 2.473 20 5 DEBDMO CC(C)(C)[N@H+]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000553339660 406751918 /nfs/dbraw/zinc/75/19/18/406751918.db2.gz NKEUXGXODQRETD-UHFFFAOYSA-N 1 1 320.393 2.004 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000556083947 406861277 /nfs/dbraw/zinc/86/12/77/406861277.db2.gz RDZJERRGINJGKP-MRXNPFEDSA-N 1 1 319.405 2.282 20 5 DEBDMO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000556083947 406861279 /nfs/dbraw/zinc/86/12/79/406861279.db2.gz RDZJERRGINJGKP-MRXNPFEDSA-N 1 1 319.405 2.282 20 5 DEBDMO C[C@@H](NC[C@H]1CCC[N@@H+]1CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000453246052 287038077 /nfs/dbraw/zinc/03/80/77/287038077.db2.gz CJHTYBPBOTWCKI-CZUORRHYSA-N 1 1 307.394 2.092 20 5 DEBDMO C[C@@H](NC[C@H]1CCC[N@H+]1CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000453246052 287038078 /nfs/dbraw/zinc/03/80/78/287038078.db2.gz CJHTYBPBOTWCKI-CZUORRHYSA-N 1 1 307.394 2.092 20 5 DEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134359858 196381775 /nfs/dbraw/zinc/38/17/75/196381775.db2.gz QRDKQXQRCXELDZ-LLVKDONJSA-N 1 1 309.341 2.148 20 5 DEBDMO Cc1nc(NC[C@H]2CCC[N@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC000297468999 227207299 /nfs/dbraw/zinc/20/72/99/227207299.db2.gz KQSQSMFUSUDARU-CYBMUJFWSA-N 1 1 307.398 2.473 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000299222223 229002575 /nfs/dbraw/zinc/00/25/75/229002575.db2.gz LBJFXQSJAKSGCA-CHWSQXEVSA-N 1 1 321.377 2.341 20 5 DEBDMO COC1CC[NH+](CCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301776590 229887506 /nfs/dbraw/zinc/88/75/06/229887506.db2.gz HWMGIBLVKWREBJ-UHFFFAOYSA-N 1 1 315.320 2.396 20 5 DEBDMO Cc1ccc(CNc2ncc([N+](=O)[O-])cn2)c(N2CCCC2)[nH+]1 ZINC000302216697 230173242 /nfs/dbraw/zinc/17/32/42/230173242.db2.gz JUDHWAUBXFUACD-UHFFFAOYSA-N 1 1 314.349 2.301 20 5 DEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000302533248 230286656 /nfs/dbraw/zinc/28/66/56/230286656.db2.gz LXDLRLLOGIMULL-LLVKDONJSA-N 1 1 311.357 2.015 20 5 DEBDMO COc1cccnc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834904746 649858990 /nfs/dbraw/zinc/85/89/90/649858990.db2.gz CDFFANSLBIADRT-JTQLQIEISA-N 1 1 302.334 2.431 20 5 DEBDMO Nc1nccc([C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000331629942 424914308 /nfs/dbraw/zinc/91/43/08/424914308.db2.gz RORRHBUUGZMWSW-NSHDSACASA-N 1 1 319.390 2.408 20 5 DEBDMO Nc1nccc([C@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000331629942 424914311 /nfs/dbraw/zinc/91/43/11/424914311.db2.gz RORRHBUUGZMWSW-NSHDSACASA-N 1 1 319.390 2.408 20 5 DEBDMO O=[N+]([O-])c1ccc2nc(NC[C@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000390396628 424916558 /nfs/dbraw/zinc/91/65/58/424916558.db2.gz GCKCWTGGYNIOER-GFCCVEGCSA-N 1 1 312.373 3.039 20 5 DEBDMO CC(C)Oc1nc(NC[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000563418017 424898690 /nfs/dbraw/zinc/89/86/90/424898690.db2.gz QDVYHGNQXIMNGQ-GFCCVEGCSA-N 1 1 320.393 2.673 20 5 DEBDMO C[C@@H]1[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CCC[N@H+]1C ZINC000343434388 424978408 /nfs/dbraw/zinc/97/84/08/424978408.db2.gz ALNFFMVSTYVQPQ-RISCZKNCSA-N 1 1 300.362 3.038 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588081878 424993813 /nfs/dbraw/zinc/99/38/13/424993813.db2.gz KQWWSMRXOCCJCK-ZDUSSCGKSA-N 1 1 315.377 2.824 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088349739 267398739 /nfs/dbraw/zinc/39/87/39/267398739.db2.gz QQANRFAKQXZQEF-INIZCTEOSA-N 1 1 317.389 2.354 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000363683105 269069499 /nfs/dbraw/zinc/06/94/99/269069499.db2.gz PFJVKHKBCRAZAM-CYBMUJFWSA-N 1 1 303.362 2.342 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488753841 269146675 /nfs/dbraw/zinc/14/66/75/269146675.db2.gz SLPGRHMEHNSPQT-OUCADQQQSA-N 1 1 321.425 2.286 20 5 DEBDMO COCCOCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543506 274037211 /nfs/dbraw/zinc/03/72/11/274037211.db2.gz CCXILLCPIXPJJO-HNNXBMFYSA-N 1 1 308.378 2.437 20 5 DEBDMO CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000449492725 274064522 /nfs/dbraw/zinc/06/45/22/274064522.db2.gz CNVYARZFYHJGIK-IAQYHMDHSA-N 1 1 322.361 2.318 20 5 DEBDMO Cc1c(NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000332341712 274664580 /nfs/dbraw/zinc/66/45/80/274664580.db2.gz SSXORLMEPIBGSX-CQSZACIVSA-N 1 1 310.329 2.069 20 5 DEBDMO C[N@H+]1CC[C@H]2OCCN(C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000284466552 277180243 /nfs/dbraw/zinc/18/02/43/277180243.db2.gz AVPCWMFPVDILBE-JSYWMUGDSA-N 1 1 317.389 2.013 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1 ZINC000354011382 278174865 /nfs/dbraw/zinc/17/48/65/278174865.db2.gz ZSYIELBXBBZVPZ-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295318391 279166814 /nfs/dbraw/zinc/16/68/14/279166814.db2.gz WNUACRVDBBLEMX-CYBMUJFWSA-N 1 1 315.732 2.022 20 5 DEBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000376486585 279379519 /nfs/dbraw/zinc/37/95/19/279379519.db2.gz SJGRXQZMIHKILC-NSHDSACASA-N 1 1 301.350 2.295 20 5 DEBDMO CC[C@H](c1ccncc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000092225150 288170451 /nfs/dbraw/zinc/17/04/51/288170451.db2.gz NVYLWFMCORAJJX-OAHLLOKOSA-N 1 1 316.361 2.235 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000356758601 295253713 /nfs/dbraw/zinc/25/37/13/295253713.db2.gz FDGQAYVHMUQBPO-NSHDSACASA-N 1 1 309.366 2.062 20 5 DEBDMO CC(C)(C)OCCC[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC001349775007 1151282455 /nfs/dbraw/zinc/28/24/55/1151282455.db2.gz VBAHGEQXZFBRRP-UHFFFAOYSA-N 1 1 322.409 2.317 20 5 DEBDMO C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000573744978 326088448 /nfs/dbraw/zinc/08/84/48/326088448.db2.gz WGNOWWYVCFZUKK-DYEKYZERSA-N 1 1 317.389 2.440 20 5 DEBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+](C2CC2)C1 ZINC000575134143 326222406 /nfs/dbraw/zinc/22/24/06/326222406.db2.gz YMPZWZRAXMZFNW-SNVBAGLBSA-N 1 1 309.391 2.213 20 5 DEBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+](C2CC2)C1 ZINC000575134143 326222409 /nfs/dbraw/zinc/22/24/09/326222409.db2.gz YMPZWZRAXMZFNW-SNVBAGLBSA-N 1 1 309.391 2.213 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2CC)c1 ZINC000576325730 326285173 /nfs/dbraw/zinc/28/51/73/326285173.db2.gz VBQCCZOPBINWDH-GFCCVEGCSA-N 1 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ZINC000826994774 648958408 /nfs/dbraw/zinc/95/84/08/648958408.db2.gz NIBUAZJBWLEFKP-MFBWXBCUSA-N 1 1 317.345 2.135 20 5 DEBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1COCCO1 ZINC000827141641 648980730 /nfs/dbraw/zinc/98/07/30/648980730.db2.gz WHJDJYHWDAKOBS-NSHDSACASA-N 1 1 300.742 2.095 20 5 DEBDMO Cc1cc(Cl)c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000832697347 649736863 /nfs/dbraw/zinc/73/68/63/649736863.db2.gz ADQLSVGVLRZZRD-YGRLFVJLSA-N 1 1 323.780 2.333 20 5 DEBDMO Cc1cc(Cl)c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000832697345 649736934 /nfs/dbraw/zinc/73/69/34/649736934.db2.gz ADQLSVGVLRZZRD-IINYFYTJSA-N 1 1 323.780 2.333 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832778108 649745000 /nfs/dbraw/zinc/74/50/00/649745000.db2.gz ICLYNXAKRVKKQP-CVEARBPZSA-N 1 1 307.394 2.043 20 5 DEBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000846840001 651356105 /nfs/dbraw/zinc/35/61/05/651356105.db2.gz WNWPXKPGQTXPSM-LBPRGKRZSA-N 1 1 304.325 2.457 20 5 DEBDMO C[C@H](CNc1cc(N)ccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848755164 651510509 /nfs/dbraw/zinc/51/05/09/651510509.db2.gz YGHQMITZOBOKFA-UTUOFQBUSA-N 1 1 308.382 2.087 20 5 DEBDMO C[C@H](CNc1cc(N)ccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848755164 651510512 /nfs/dbraw/zinc/51/05/12/651510512.db2.gz YGHQMITZOBOKFA-UTUOFQBUSA-N 1 1 308.382 2.087 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000855166473 651639394 /nfs/dbraw/zinc/63/93/94/651639394.db2.gz KDAIVCWWUCAYDH-NSHDSACASA-N 1 1 309.341 2.337 20 5 DEBDMO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000856805109 651989175 /nfs/dbraw/zinc/98/91/75/651989175.db2.gz KLKCWDFOPIFSPE-ZDUSSCGKSA-N 1 1 323.349 2.486 20 5 DEBDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000856805109 651989179 /nfs/dbraw/zinc/98/91/79/651989179.db2.gz KLKCWDFOPIFSPE-ZDUSSCGKSA-N 1 1 323.349 2.486 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000851806054 652244411 /nfs/dbraw/zinc/24/44/11/652244411.db2.gz HVZKTICWVURJJX-UHFFFAOYSA-N 1 1 305.313 2.232 20 5 DEBDMO CO[C@@H]1CC[C@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000851843459 652256444 /nfs/dbraw/zinc/25/64/44/652256444.db2.gz HTUWENDCDDZUHL-SGMGOOAPSA-N 1 1 306.366 2.044 20 5 DEBDMO O=C1[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCN1C1CCC1 ZINC000858343389 652313579 /nfs/dbraw/zinc/31/35/79/652313579.db2.gz ZFUBBFOLXXHAKY-CQSZACIVSA-N 1 1 323.780 2.491 20 5 DEBDMO Cc1noc(C[NH2+][C@@H]2CCc3ccccc3OC2)c1[N+](=O)[O-] ZINC000852017281 652313788 /nfs/dbraw/zinc/31/37/88/652313788.db2.gz ADXYICBBYNTXBI-GFCCVEGCSA-N 1 1 303.318 2.375 20 5 DEBDMO C[C@@]1(C2CC2)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000852322230 652385602 /nfs/dbraw/zinc/38/56/02/652385602.db2.gz FCALZUQIPVXMCV-HOTGVXAUSA-N 1 1 306.362 2.129 20 5 DEBDMO C[C@@]1(C2CC2)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000852322230 652385604 /nfs/dbraw/zinc/38/56/04/652385604.db2.gz FCALZUQIPVXMCV-HOTGVXAUSA-N 1 1 306.362 2.129 20 5 DEBDMO CCC[N@@H+](C)CC(C)(C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852716564 652443317 /nfs/dbraw/zinc/44/33/17/652443317.db2.gz NZRRGZHTXOYTMJ-HNNXBMFYSA-N 1 1 309.410 2.338 20 5 DEBDMO CCCN(C)CC(C)(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852716564 652443318 /nfs/dbraw/zinc/44/33/18/652443318.db2.gz NZRRGZHTXOYTMJ-HNNXBMFYSA-N 1 1 309.410 2.338 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(OCCO)CC2)c1 ZINC000135394027 684235251 /nfs/dbraw/zinc/23/52/51/684235251.db2.gz XKPNZAKSPVOVLJ-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000251935153 685192316 /nfs/dbraw/zinc/19/23/16/685192316.db2.gz ZCFPPGTVSDGATI-BXKDBHETSA-N 1 1 312.753 2.489 20 5 DEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000251935153 685192319 /nfs/dbraw/zinc/19/23/19/685192319.db2.gz ZCFPPGTVSDGATI-BXKDBHETSA-N 1 1 312.753 2.489 20 5 DEBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000861033111 685987690 /nfs/dbraw/zinc/98/76/90/685987690.db2.gz GKGDJMAFXWGNSI-ZDUSSCGKSA-N 1 1 322.361 2.171 20 5 DEBDMO CC(C)(C)c1csc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)n1 ZINC000865495983 687235094 /nfs/dbraw/zinc/23/50/94/687235094.db2.gz OTNVQKQPGZJNKX-UHFFFAOYSA-N 1 1 309.395 2.335 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865629916 687283234 /nfs/dbraw/zinc/28/32/34/687283234.db2.gz VGMDVCMQLQZATL-UHFFFAOYSA-N 1 1 322.340 2.258 20 5 DEBDMO Cc1nc(F)ccc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000865705604 687307883 /nfs/dbraw/zinc/30/78/83/687307883.db2.gz VJHBCZBWZRZDDM-MRXNPFEDSA-N 1 1 319.336 2.435 20 5 DEBDMO CC(=O)NCCCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930442229 694163604 /nfs/dbraw/zinc/16/36/04/694163604.db2.gz WMPDKHOYKRCREE-UHFFFAOYSA-N 1 1 307.394 2.376 20 5 DEBDMO C[N@@H+](CC1CCCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964393 688583956 /nfs/dbraw/zinc/58/39/56/688583956.db2.gz FTANSWWAQLUJCE-HZPDHXFCSA-N 1 1 323.437 2.012 20 5 DEBDMO C[N@H+](CC1CCCC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964393 688583958 /nfs/dbraw/zinc/58/39/58/688583958.db2.gz FTANSWWAQLUJCE-HZPDHXFCSA-N 1 1 323.437 2.012 20 5 DEBDMO C[N@@H+](CC1CCCC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964393 688583960 /nfs/dbraw/zinc/58/39/60/688583960.db2.gz FTANSWWAQLUJCE-HZPDHXFCSA-N 1 1 323.437 2.012 20 5 DEBDMO CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C[C@@H]2CCCC[N@H+]2C)n1 ZINC000870784238 688651863 /nfs/dbraw/zinc/65/18/63/688651863.db2.gz FRCPHGNAYFCDCA-RYUDHWBXSA-N 1 1 324.381 2.231 20 5 DEBDMO CNc1c(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000871155784 688737646 /nfs/dbraw/zinc/73/76/46/688737646.db2.gz BFIBTTXTWMXXHQ-UHFFFAOYSA-N 1 1 320.393 2.193 20 5 DEBDMO CC(C)N1C[C@@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1=O ZINC000872046943 688919167 /nfs/dbraw/zinc/91/91/67/688919167.db2.gz AABXVMZEQXKUAO-MNOVXSKESA-N 1 1 309.341 2.394 20 5 DEBDMO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872048011 688919220 /nfs/dbraw/zinc/91/92/20/688919220.db2.gz GJZTYFSLEYDMRV-WDEREUQCSA-N 1 1 324.356 2.188 20 5 DEBDMO CC(=O)c1ccc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000872778501 689091190 /nfs/dbraw/zinc/09/11/90/689091190.db2.gz AUXHDZDZIPDGHK-UONOGXRCSA-N 1 1 303.362 2.470 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCCN1CCOCC1 ZINC000873013611 689140645 /nfs/dbraw/zinc/14/06/45/689140645.db2.gz FILGNYSNOOFDPR-UHFFFAOYSA-N 1 1 321.421 2.414 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000873840518 689316720 /nfs/dbraw/zinc/31/67/20/689316720.db2.gz SUIBBUVIYAOPTA-CYBMUJFWSA-N 1 1 305.378 2.426 20 5 DEBDMO COCC[N@@H+](CCC(=O)OC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876735673 689921383 /nfs/dbraw/zinc/92/13/83/689921383.db2.gz BBFVTZLMZRAHLS-UHFFFAOYSA-N 1 1 324.377 2.223 20 5 DEBDMO Cn1cc(C[N@@H+](C)[C@@H]2CCc3ccccc3C2)c([N+](=O)[O-])n1 ZINC000876742439 689923783 /nfs/dbraw/zinc/92/37/83/689923783.db2.gz UHPDQUBQROIHAO-OAHLLOKOSA-N 1 1 300.362 2.318 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000876780277 689935057 /nfs/dbraw/zinc/93/50/57/689935057.db2.gz DMAQSMHCPUAYLP-ZDUSSCGKSA-N 1 1 305.378 2.299 20 5 DEBDMO O=[N+]([O-])CC[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000931159110 694329711 /nfs/dbraw/zinc/32/97/11/694329711.db2.gz KBZQYOUFYCYTJN-UHFFFAOYSA-N 1 1 308.382 2.258 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000877485084 690127742 /nfs/dbraw/zinc/12/77/42/690127742.db2.gz KCMDYTNOFODMPK-AWEZNQCLSA-N 1 1 321.421 2.364 20 5 DEBDMO Cc1c(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000877952460 690268961 /nfs/dbraw/zinc/26/89/61/690268961.db2.gz NLNSUKLCYDJPPT-IUODEOHRSA-N 1 1 318.377 2.461 20 5 DEBDMO C[NH+]1C[C@]2(C)CN(Cc3cc(O)ccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931313384 694365380 /nfs/dbraw/zinc/36/53/80/694365380.db2.gz BEEFTRHMQYZAQJ-HZPDHXFCSA-N 1 1 305.378 2.074 20 5 DEBDMO C[N@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000878840555 690511654 /nfs/dbraw/zinc/51/16/54/690511654.db2.gz OGPQVXJPRUVOBR-CVEARBPZSA-N 1 1 321.421 2.290 20 5 DEBDMO CN1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000878840555 690511656 /nfs/dbraw/zinc/51/16/56/690511656.db2.gz OGPQVXJPRUVOBR-CVEARBPZSA-N 1 1 321.421 2.290 20 5 DEBDMO CN1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000878840555 690511659 /nfs/dbraw/zinc/51/16/59/690511659.db2.gz OGPQVXJPRUVOBR-CVEARBPZSA-N 1 1 321.421 2.290 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879569800 690675401 /nfs/dbraw/zinc/67/54/01/690675401.db2.gz BQMACLZMKRSQET-YOEHRIQHSA-N 1 1 319.405 2.390 20 5 DEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+]1CC ZINC000879608406 690686720 /nfs/dbraw/zinc/68/67/20/690686720.db2.gz BEHCVHZPOXKZEA-CYBMUJFWSA-N 1 1 306.366 2.373 20 5 DEBDMO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)Cc2c[nH]nc21 ZINC000931458910 694401959 /nfs/dbraw/zinc/40/19/59/694401959.db2.gz KTDDBLMMLYDPSE-LLVKDONJSA-N 1 1 302.334 2.316 20 5 DEBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)Cc2c[nH]nc21 ZINC000931458910 694401960 /nfs/dbraw/zinc/40/19/60/694401960.db2.gz KTDDBLMMLYDPSE-LLVKDONJSA-N 1 1 302.334 2.316 20 5 DEBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000880429745 690896794 /nfs/dbraw/zinc/89/67/94/690896794.db2.gz XJRJCYZDJFWUEO-HOTGVXAUSA-N 1 1 324.377 2.099 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000881440249 691098700 /nfs/dbraw/zinc/09/87/00/691098700.db2.gz XAUUMWURSFLFTF-YPMHNXCESA-N 1 1 323.780 2.414 20 5 DEBDMO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000886076954 691998642 /nfs/dbraw/zinc/99/86/42/691998642.db2.gz UINGCJPOMGRZHS-TZMCWYRMSA-N 1 1 301.350 2.269 20 5 DEBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000886076954 691998644 /nfs/dbraw/zinc/99/86/44/691998644.db2.gz UINGCJPOMGRZHS-TZMCWYRMSA-N 1 1 301.350 2.269 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H]([C@@H]4CCCO4)C3)nc2c1 ZINC000886822418 692201160 /nfs/dbraw/zinc/20/11/60/692201160.db2.gz QEFUJQJYZANTAW-NHYWBVRUSA-N 1 1 316.361 2.472 20 5 DEBDMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000887399576 692354596 /nfs/dbraw/zinc/35/45/96/692354596.db2.gz XYXJERJUSAZZMD-YRGRVCCFSA-N 1 1 305.378 2.155 20 5 DEBDMO Cn1cc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)c([N+](=O)[O-])n1 ZINC000932194148 694571627 /nfs/dbraw/zinc/57/16/27/694571627.db2.gz MNVXNGXOIIMTSR-LLVKDONJSA-N 1 1 321.406 2.240 20 5 DEBDMO Cn1cc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c([N+](=O)[O-])n1 ZINC000932194148 694571630 /nfs/dbraw/zinc/57/16/30/694571630.db2.gz MNVXNGXOIIMTSR-LLVKDONJSA-N 1 1 321.406 2.240 20 5 DEBDMO C[C@H](C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001349972560 1151313042 /nfs/dbraw/zinc/31/30/42/1151313042.db2.gz WBNUIWJDGRIBSP-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001350357670 1151347430 /nfs/dbraw/zinc/34/74/30/1151347430.db2.gz SFGIMEGCDMGCQF-AWEZNQCLSA-N 1 1 303.362 2.310 20 5 DEBDMO C[NH+](C)Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC001440936672 1181783317 /nfs/dbraw/zinc/78/33/17/1181783317.db2.gz ANPMHELHOACZHY-UHFFFAOYSA-N 1 1 315.329 2.452 20 5 DEBDMO Cc1cc(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC001347890155 1151104267 /nfs/dbraw/zinc/10/42/67/1151104267.db2.gz MYXHGRSNVDICKK-SWLSCSKDSA-N 1 1 318.377 2.461 20 5 DEBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000443961184 782896307 /nfs/dbraw/zinc/89/63/07/782896307.db2.gz KIAMBUOOYPNZNZ-SNVBAGLBSA-N 1 1 319.340 2.434 20 5 DEBDMO Cc1[nH+]c(N)ccc1CNc1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001167787929 778590349 /nfs/dbraw/zinc/59/03/49/778590349.db2.gz LAFQTRJYBJBIRF-UHFFFAOYSA-N 1 1 314.349 2.265 20 5 DEBDMO [NH3+]CC(=O)c1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168970947 784991734 /nfs/dbraw/zinc/99/17/34/784991734.db2.gz JHZVGQJOIRJDLS-NWDGAFQWSA-N 1 1 301.346 2.401 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)C1 ZINC001169035765 785011230 /nfs/dbraw/zinc/01/12/30/785011230.db2.gz LQXUEQGTXCPITR-BDXSIMOUSA-N 1 1 315.417 2.391 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCN3CCc4ccccc4[C@@H]3C2)C1 ZINC001169040090 785013944 /nfs/dbraw/zinc/01/39/44/785013944.db2.gz XWBFNWUGUIVRMN-HFTRVMKXSA-N 1 1 315.417 2.347 20 5 DEBDMO CC(C)C(=O)N1CC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169026940 785020432 /nfs/dbraw/zinc/02/04/32/785020432.db2.gz ZFQLQSZSTIDGQE-ZJIFWQFVSA-N 1 1 323.437 2.011 20 5 DEBDMO COC(=O)c1cccc2c1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169050443 785021953 /nfs/dbraw/zinc/02/19/53/785021953.db2.gz ZRDCMBLRDVURDX-GXTWGEPZSA-N 1 1 318.373 2.277 20 5 DEBDMO Cc1cnc(O[C@@H]2CCC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054874 785024382 /nfs/dbraw/zinc/02/43/82/785024382.db2.gz NYYYVUGMOQYPKP-QLFBSQMISA-N 1 1 320.393 2.074 20 5 DEBDMO O=[N+]([O-])c1sc(C[NH2+][C@]23C[C@H]2COC3)cc1Br ZINC001333733570 1150084812 /nfs/dbraw/zinc/08/48/12/1150084812.db2.gz HDMVGYSDVKVNBC-WKEGUHRASA-N 1 1 319.180 2.297 20 5 DEBDMO Cc1cc(Cl)nc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001157265337 786218248 /nfs/dbraw/zinc/21/82/48/786218248.db2.gz JHLOQGSEWOUHAE-MNOVXSKESA-N 1 1 310.785 2.482 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170336143 786914239 /nfs/dbraw/zinc/91/42/39/786914239.db2.gz UNYVLDFPUWNDDO-TZMCWYRMSA-N 1 1 308.378 2.381 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2[C@@H](C)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170336173 786914827 /nfs/dbraw/zinc/91/48/27/786914827.db2.gz VGDAKFPIZMMXAD-SCRDCRAPSA-N 1 1 308.378 2.380 20 5 DEBDMO COc1ccc(C[C@H](C)N2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170343148 786928192 /nfs/dbraw/zinc/92/81/92/786928192.db2.gz NZEPZFFOJXCIDL-ZFWWWQNUSA-N 1 1 319.405 2.314 20 5 DEBDMO CC(C)(C)CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147506609 791556324 /nfs/dbraw/zinc/55/63/24/791556324.db2.gz GVCZWVDPZSVTEC-ZIAGYGMSSA-N 1 1 323.437 2.012 20 5 DEBDMO CC(C)(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147506609 791556332 /nfs/dbraw/zinc/55/63/32/791556332.db2.gz GVCZWVDPZSVTEC-ZIAGYGMSSA-N 1 1 323.437 2.012 20 5 DEBDMO CC(C)(C)CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147506609 791556338 /nfs/dbraw/zinc/55/63/38/791556338.db2.gz GVCZWVDPZSVTEC-ZIAGYGMSSA-N 1 1 323.437 2.012 20 5 DEBDMO NC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914475 793530834 /nfs/dbraw/zinc/53/08/34/793530834.db2.gz GWMRLBYHJVBJDT-ZBFHGGJFSA-N 1 1 317.389 2.182 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001173224603 793642018 /nfs/dbraw/zinc/64/20/18/793642018.db2.gz HNMQUMRKLRLKQS-APHBMKBZSA-N 1 1 317.389 2.221 20 5 DEBDMO CC(=O)N1CCC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173228934 793643999 /nfs/dbraw/zinc/64/39/99/793643999.db2.gz NWOOXSYPVIGHFI-CYBMUJFWSA-N 1 1 305.378 2.080 20 5 DEBDMO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC001176027742 794336240 /nfs/dbraw/zinc/33/62/40/794336240.db2.gz CLQSDUABQGYKDV-SECBINFHSA-N 1 1 305.290 2.220 20 5 DEBDMO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001176364653 794414925 /nfs/dbraw/zinc/41/49/25/794414925.db2.gz DLIZWOMUEURVGC-KWBADKCTSA-N 1 1 318.333 2.330 20 5 DEBDMO CC(C)Oc1cc(-c2nnc(C[NH+](C)C)o2)ccc1[N+](=O)[O-] ZINC001118372124 795182464 /nfs/dbraw/zinc/18/24/64/795182464.db2.gz OXKUJHOLVRRETD-UHFFFAOYSA-N 1 1 306.322 2.494 20 5 DEBDMO O=[N+]([O-])c1cc([N+](=O)[O-])cc(N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC001119939180 795375756 /nfs/dbraw/zinc/37/57/56/795375756.db2.gz QLYFFZNJMMQFLA-NSHDSACASA-N 1 1 306.322 2.178 20 5 DEBDMO COCn1ncc(C)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001120051982 795398484 /nfs/dbraw/zinc/39/84/84/795398484.db2.gz HKYHEQMFDVFUOV-UHFFFAOYSA-N 1 1 318.377 2.378 20 5 DEBDMO Cc1c(OC(=O)c2cc(C[NH+](C)C)on2)cccc1[N+](=O)[O-] ZINC001120255311 795429598 /nfs/dbraw/zinc/42/95/98/795429598.db2.gz DNKORKKLNSLJAV-UHFFFAOYSA-N 1 1 305.290 2.172 20 5 DEBDMO Cc1cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC001123361223 795901065 /nfs/dbraw/zinc/90/10/65/795901065.db2.gz VWUGMNMZTGQDSI-VXGBXAGGSA-N 1 1 306.366 2.460 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC001124004136 796019497 /nfs/dbraw/zinc/01/94/97/796019497.db2.gz UHZCBRVGMKPGMR-BHYNMZESSA-N 1 1 323.780 2.318 20 5 DEBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001192627078 797426878 /nfs/dbraw/zinc/42/68/78/797426878.db2.gz SSRHVVFRXVKHRF-SNVBAGLBSA-N 1 1 319.321 2.396 20 5 DEBDMO O=C(CCCF)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001196799160 798106916 /nfs/dbraw/zinc/10/69/16/798106916.db2.gz JHTUSIAGMAERTH-UHFFFAOYSA-N 1 1 323.368 2.379 20 5 DEBDMO O=C(CCCF)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001196799160 798106919 /nfs/dbraw/zinc/10/69/19/798106919.db2.gz JHTUSIAGMAERTH-UHFFFAOYSA-N 1 1 323.368 2.379 20 5 DEBDMO Cc1cc(CNc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)nn1C ZINC001156953794 798116724 /nfs/dbraw/zinc/11/67/24/798116724.db2.gz KTQMZIWTCGGZCU-AATRIKPKSA-N 1 1 316.365 2.176 20 5 DEBDMO C[NH+](C)/C=C/c1cc(NCCOC(F)(F)F)ncc1[N+](=O)[O-] ZINC001157390665 798193618 /nfs/dbraw/zinc/19/36/18/798193618.db2.gz FSNBIMMSNRRKLU-HWKANZROSA-N 1 1 320.271 2.470 20 5 DEBDMO O=[N+]([O-])c1cccc(-n2ccc(C[NH2+]Cc3ccccc3)n2)n1 ZINC001157609442 798240838 /nfs/dbraw/zinc/24/08/38/798240838.db2.gz MNRRIYKGTGKCNR-UHFFFAOYSA-N 1 1 309.329 2.465 20 5 DEBDMO CCC[N@@H+]1C[C@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@H]2C1 ZINC001157688316 798258250 /nfs/dbraw/zinc/25/82/50/798258250.db2.gz BVZUOVPMZYJDGZ-PHIMTYICSA-N 1 1 310.785 2.421 20 5 DEBDMO CCOc1cc(CN2CC[N@H+]3C[C@@H](F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001198422283 798332410 /nfs/dbraw/zinc/33/24/10/798332410.db2.gz WGRMYAQARTXUDV-KBPBESRZSA-N 1 1 323.368 2.222 20 5 DEBDMO C[NH+](C)/C=C/c1cc(N[C@H]2CCC[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC001158370749 798396108 /nfs/dbraw/zinc/39/61/08/798396108.db2.gz IFQQVPONLLSSFK-VFZNBBLXSA-N 1 1 306.366 2.238 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001162694624 799149751 /nfs/dbraw/zinc/14/97/51/799149751.db2.gz RDVPXIRHTMEWIQ-CYBMUJFWSA-N 1 1 323.393 2.433 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001162694624 799149756 /nfs/dbraw/zinc/14/97/56/799149756.db2.gz RDVPXIRHTMEWIQ-CYBMUJFWSA-N 1 1 323.393 2.433 20 5 DEBDMO O=[N+]([O-])c1cnc(Cl)nc1NCC[C@H]1CC[NH2+]CC1(F)F ZINC001162807654 799180753 /nfs/dbraw/zinc/18/07/53/799180753.db2.gz HACSZYTUYQSIPJ-SSDOTTSWSA-N 1 1 321.715 2.085 20 5 DEBDMO CC(C)(C)[C@@H](C[NH+]1CCOCC1)Nc1cccc([N+](=O)[O-])n1 ZINC001162878077 799194259 /nfs/dbraw/zinc/19/42/59/799194259.db2.gz ZRYHVXAAYCUOOF-GFCCVEGCSA-N 1 1 308.382 2.149 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC001163365157 799323331 /nfs/dbraw/zinc/32/33/31/799323331.db2.gz XTYHEQRXJYBVQK-ZYHUDNBSSA-N 1 1 323.353 2.429 20 5 DEBDMO CC(C)[N@H+]1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC001165199367 799670794 /nfs/dbraw/zinc/67/07/94/799670794.db2.gz RTCLYERANMGKLK-GFCCVEGCSA-N 1 1 315.377 2.457 20 5 DEBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933251950 800053196 /nfs/dbraw/zinc/05/31/96/800053196.db2.gz NCMRKURXGCVADH-SJORKVTESA-N 1 1 321.421 2.290 20 5 DEBDMO CC(C)C[C@@H]1CN(C)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933251950 800053203 /nfs/dbraw/zinc/05/32/03/800053203.db2.gz NCMRKURXGCVADH-SJORKVTESA-N 1 1 321.421 2.290 20 5 DEBDMO CC(C)C[C@@H]1CN(C)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933251950 800053210 /nfs/dbraw/zinc/05/32/10/800053210.db2.gz NCMRKURXGCVADH-SJORKVTESA-N 1 1 321.421 2.290 20 5 DEBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCC[N@@H+]2CC[N+](=O)[O-] ZINC000933497101 800112172 /nfs/dbraw/zinc/11/21/72/800112172.db2.gz NFMLUIWZOZGDDU-SWLSCSKDSA-N 1 1 313.398 2.032 20 5 DEBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCC[N@H+]2CC[N+](=O)[O-] ZINC000933497101 800112174 /nfs/dbraw/zinc/11/21/74/800112174.db2.gz NFMLUIWZOZGDDU-SWLSCSKDSA-N 1 1 313.398 2.032 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000934116105 800265666 /nfs/dbraw/zinc/26/56/66/800265666.db2.gz FCHBSNCRBVAERF-HUUCEWRRSA-N 1 1 321.377 2.341 20 5 DEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205230863 800325158 /nfs/dbraw/zinc/32/51/58/800325158.db2.gz WGSTXGXDNPLJMB-HZPDHXFCSA-N 1 1 323.437 2.060 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000935192092 800590252 /nfs/dbraw/zinc/59/02/52/800590252.db2.gz YAOSQBMEBDVTEN-NWDGAFQWSA-N 1 1 323.368 2.218 20 5 DEBDMO C[N@H+]1CC[C@@H](Oc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001229145114 801230832 /nfs/dbraw/zinc/23/08/32/801230832.db2.gz JGOXEKIEKWHVEE-SNVBAGLBSA-N 1 1 301.140 2.440 20 5 DEBDMO C[C@@H]1CC[NH2+]CC[C@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001218029153 802133909 /nfs/dbraw/zinc/13/39/09/802133909.db2.gz ZIDOHWGGWFMEQH-NOZJJQNGSA-N 1 1 318.333 2.011 20 5 DEBDMO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CC2(F)F)cc1Br ZINC001218235030 802158573 /nfs/dbraw/zinc/15/85/73/802158573.db2.gz IVWGFDUQAURZAG-SECBINFHSA-N 1 1 323.093 2.343 20 5 DEBDMO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CC2(F)F)cc1Br ZINC001218235031 802158723 /nfs/dbraw/zinc/15/87/23/802158723.db2.gz IVWGFDUQAURZAG-VIFPVBQESA-N 1 1 323.093 2.343 20 5 DEBDMO COC(=O)c1c(COC2C[NH+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001223292906 802778856 /nfs/dbraw/zinc/77/88/56/802778856.db2.gz CSIJKWVJGJROGN-UHFFFAOYSA-N 1 1 322.361 2.381 20 5 DEBDMO COC(=O)[C@H](O[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001223643890 802805788 /nfs/dbraw/zinc/80/57/88/802805788.db2.gz QLQHFGJBCZSNCW-SWLSCSKDSA-N 1 1 322.361 2.308 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCO[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001224778030 802903290 /nfs/dbraw/zinc/90/32/90/802903290.db2.gz IKWBPTBZQADGSG-CQSZACIVSA-N 1 1 303.318 2.202 20 5 DEBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccccc3[N+](=O)[O-])C[C@H]1[N@H+]2C ZINC001227484315 803245162 /nfs/dbraw/zinc/24/51/62/803245162.db2.gz MBXHKBHNVRWWFG-CAVOSLQRSA-N 1 1 320.345 2.140 20 5 DEBDMO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3ccccc3[N+](=O)[O-])C[N@H+]2C1 ZINC001346189026 1150949284 /nfs/dbraw/zinc/94/92/84/1150949284.db2.gz AVXGOSCARBEGNP-VHDGCEQUSA-N 1 1 317.389 2.331 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])[C@@H]2C1 ZINC001458718790 1058088580 /nfs/dbraw/zinc/08/85/80/1058088580.db2.gz ZOJSDAQWVJYUCE-AXFHLTTASA-N 1 1 306.322 2.255 20 5 DEBDMO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC001460746739 1058497995 /nfs/dbraw/zinc/49/79/95/1058497995.db2.gz CLQSDUABQGYKDV-VIFPVBQESA-N 1 1 305.290 2.220 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC[C@]23CCOC3)cc1 ZINC001460959298 1058552249 /nfs/dbraw/zinc/55/22/49/1058552249.db2.gz MRBLFLXXMWJJDK-JKSUJKDBSA-N 1 1 306.362 2.273 20 5 DEBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C1N=NC(=O)N1C ZINC001462392910 1058814848 /nfs/dbraw/zinc/81/48/48/1058814848.db2.gz HNBJQMWXAUQREH-ZJRUKIMVSA-N 1 1 317.349 2.183 20 5 DEBDMO CN(CCC[N@@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001502192865 1060040991 /nfs/dbraw/zinc/04/09/91/1060040991.db2.gz HRCWQHZOOQCJAZ-ZIAGYGMSSA-N 1 1 313.442 2.258 20 5 DEBDMO CN(CCC[N@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001502192865 1060041011 /nfs/dbraw/zinc/04/10/11/1060041011.db2.gz HRCWQHZOOQCJAZ-ZIAGYGMSSA-N 1 1 313.442 2.258 20 5 DEBDMO CN(CCC[N@@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001502192865 1060041032 /nfs/dbraw/zinc/04/10/32/1060041032.db2.gz HRCWQHZOOQCJAZ-ZIAGYGMSSA-N 1 1 313.442 2.258 20 5 DEBDMO CC1(C)OCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001617994507 1078150435 /nfs/dbraw/zinc/15/04/35/1078150435.db2.gz ZJCZBNCIMGTLDX-GFCCVEGCSA-N 1 1 318.333 2.302 20 5 DEBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001632477132 1078384023 /nfs/dbraw/zinc/38/40/23/1078384023.db2.gz HMUBNCOGPXMEKZ-LLVKDONJSA-N 1 1 323.397 2.044 20 5 DEBDMO C[C@@H](NC(=O)CC[N@H+]1CC[C@@H](F)C1)c1ccccc1[N+](=O)[O-] ZINC001633834852 1078414333 /nfs/dbraw/zinc/41/43/33/1078414333.db2.gz FYQUJBXOGLFJIN-VXGBXAGGSA-N 1 1 309.341 2.206 20 5 DEBDMO COc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC001639941137 1078633294 /nfs/dbraw/zinc/63/32/94/1078633294.db2.gz NVLRHSAAWVSAIH-RNCFNFMXSA-N 1 1 311.769 2.397 20 5 DEBDMO Cc1cocc1C(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001267212780 1078670372 /nfs/dbraw/zinc/67/03/72/1078670372.db2.gz STZMZCLKSUFWGG-UHFFFAOYSA-N 1 1 317.345 2.358 20 5 DEBDMO Cc1cocc1C(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001267212780 1078670377 /nfs/dbraw/zinc/67/03/77/1078670377.db2.gz STZMZCLKSUFWGG-UHFFFAOYSA-N 1 1 317.345 2.358 20 5 DEBDMO C[C@H](NC(=O)CC[N@H+]1CC[C@H](F)C1)c1ccccc1[N+](=O)[O-] ZINC001644863591 1078866585 /nfs/dbraw/zinc/86/65/85/1078866585.db2.gz FYQUJBXOGLFJIN-RYUDHWBXSA-N 1 1 309.341 2.206 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001542178783 1072453098 /nfs/dbraw/zinc/45/30/98/1072453098.db2.gz JNFSEBROGGIADE-UHFFFAOYSA-N 1 1 320.324 2.367 20 5 DEBDMO Cc1[nH]c(C2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)[nH+]c1C ZINC001645596834 1078931019 /nfs/dbraw/zinc/93/10/19/1078931019.db2.gz VZUQPSSAMQBMDQ-UHFFFAOYSA-N 1 1 317.349 2.283 20 5 DEBDMO CC(C)C[N@@H+](C)CCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC001559229039 1075115755 /nfs/dbraw/zinc/11/57/55/1075115755.db2.gz XWKSVMGJXFINBO-UHFFFAOYSA-N 1 1 300.790 2.455 20 5 DEBDMO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001560256359 1075135030 /nfs/dbraw/zinc/13/50/30/1075135030.db2.gz LHEDPVXUPHMTLW-NSHDSACASA-N 1 1 317.345 2.469 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCc3cc(O)ccc3C2)cc1 ZINC001560238441 1075135078 /nfs/dbraw/zinc/13/50/78/1075135078.db2.gz OQNRBAUAGIKMEW-KRWDZBQOSA-N 1 1 314.341 2.392 20 5 DEBDMO CC(C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC001589626531 1076503474 /nfs/dbraw/zinc/50/34/74/1076503474.db2.gz YDLLURPEPDISQX-UHFFFAOYSA-N 1 1 316.365 2.395 20 5 DEBDMO C[C@H]1CCC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001590261577 1076603918 /nfs/dbraw/zinc/60/39/18/1076603918.db2.gz PDFGKEFDSREFBC-NSHDSACASA-N 1 1 316.365 2.397 20 5 DEBDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001590309994 1076609089 /nfs/dbraw/zinc/60/90/89/1076609089.db2.gz RRNWBFRVYWPZME-MXWKQRLJSA-N 1 1 316.365 2.251 20 5 DEBDMO CCC[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])CC1CC1 ZINC001590627984 1076662958 /nfs/dbraw/zinc/66/29/58/1076662958.db2.gz OBHVWZMAVJJDNN-UHFFFAOYSA-N 1 1 316.365 2.397 20 5 DEBDMO CC(C)C[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001609095459 1077760973 /nfs/dbraw/zinc/76/09/73/1077760973.db2.gz SOWUQRBKBMTVOJ-UHFFFAOYSA-N 1 1 316.365 2.395 20 5 DEBDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609108794 1077763781 /nfs/dbraw/zinc/76/37/81/1077763781.db2.gz VPLKHJMFAMGTMV-SECBINFHSA-N 1 1 302.338 2.005 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCO)[C@@H](C)c1ccccc1 ZINC001652954430 1079907347 /nfs/dbraw/zinc/90/73/47/1079907347.db2.gz NDTIVOATSMZNIU-ZDUSSCGKSA-N 1 1 318.377 2.155 20 5 DEBDMO COc1cc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)sn1 ZINC001654900798 1079980061 /nfs/dbraw/zinc/98/00/61/1079980061.db2.gz OORNTHBBIZBUFB-CYBMUJFWSA-N 1 1 323.374 2.225 20 5 DEBDMO COc1cc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)sn1 ZINC001654900798 1079980069 /nfs/dbraw/zinc/98/00/69/1079980069.db2.gz OORNTHBBIZBUFB-CYBMUJFWSA-N 1 1 323.374 2.225 20 5 DEBDMO Nc1nnc([C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC001655202910 1079989948 /nfs/dbraw/zinc/98/99/48/1079989948.db2.gz NGUFXWBAOUNPNZ-VIFPVBQESA-N 1 1 309.351 2.001 20 5 DEBDMO Nc1nnc([C@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC001655202910 1079989954 /nfs/dbraw/zinc/98/99/54/1079989954.db2.gz NGUFXWBAOUNPNZ-VIFPVBQESA-N 1 1 309.351 2.001 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1[nH+]ccn1CC(F)F ZINC001656151068 1080055355 /nfs/dbraw/zinc/05/53/55/1080055355.db2.gz DWGGNAXPPJUMNJ-UHFFFAOYSA-N 1 1 324.243 2.013 20 5 DEBDMO CC(C)[N@@H+](C)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107233173 1080687923 /nfs/dbraw/zinc/68/79/23/1080687923.db2.gz LTIZKWOSYIZATI-SNAWJCMRSA-N 1 1 320.393 2.019 20 5 DEBDMO CC[N@@H+](CCNC(=O)C(C)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001266372194 1082005493 /nfs/dbraw/zinc/00/54/93/1082005493.db2.gz TWLBKQQSDQHMEE-UHFFFAOYSA-N 1 1 315.320 2.188 20 5 DEBDMO C/C=C(\C)C(=O)N(C)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001482589053 1082296570 /nfs/dbraw/zinc/29/65/70/1082296570.db2.gz QFNWRJYZVGXSLM-WLRTZDKTSA-N 1 1 305.378 2.451 20 5 DEBDMO C/C=C(\C)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001482589053 1082296571 /nfs/dbraw/zinc/29/65/71/1082296571.db2.gz QFNWRJYZVGXSLM-WLRTZDKTSA-N 1 1 305.378 2.451 20 5 DEBDMO Cc1c(Br)c(O[C@@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001231092295 1090637725 /nfs/dbraw/zinc/63/77/25/1090637725.db2.gz FQQVBFTZKKYKHO-MRVPVSSYSA-N 1 1 316.155 2.144 20 5 DEBDMO Cc1c(Br)c(O[C@@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001231092295 1090637731 /nfs/dbraw/zinc/63/77/31/1090637731.db2.gz FQQVBFTZKKYKHO-MRVPVSSYSA-N 1 1 316.155 2.144 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC001323536234 1141862953 /nfs/dbraw/zinc/86/29/53/1141862953.db2.gz UHTZJBIDVDGPRB-CYBMUJFWSA-N 1 1 318.377 2.363 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ncnc4sc([N+](=O)[O-])cc43)[C@H]2C1 ZINC001336884910 1142613120 /nfs/dbraw/zinc/61/31/20/1142613120.db2.gz DWIJKZXIXDZTRF-INTQDDNPSA-N 1 1 319.390 2.352 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ncnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC001336887205 1142615370 /nfs/dbraw/zinc/61/53/70/1142615370.db2.gz UAILLKOTXPGDIW-ZBINZKHDSA-N 1 1 313.361 2.290 20 5 DEBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001338046753 1142822783 /nfs/dbraw/zinc/82/27/83/1142822783.db2.gz UCPZHXFEUMHROL-HWYHOQROSA-N 1 1 315.373 2.305 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1N1CCC(c2c[nH+]cn2C)CC1 ZINC001338319997 1142847944 /nfs/dbraw/zinc/84/79/44/1142847944.db2.gz QOHAXGBSLDCRSD-UHFFFAOYSA-N 1 1 301.350 2.416 20 5 DEBDMO Cc1c[nH+]cn1CC(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001278725023 1142877034 /nfs/dbraw/zinc/87/70/34/1142877034.db2.gz AHJHYAGQCFEXCY-UHFFFAOYSA-N 1 1 311.301 2.287 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCC34COC4)CC2)cc1 ZINC001254479240 1143130543 /nfs/dbraw/zinc/13/05/43/1143130543.db2.gz UJXVGMKSZOFDGU-UHFFFAOYSA-N 1 1 317.389 2.428 20 5 DEBDMO Cc1noc(C2([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC001254543781 1143242188 /nfs/dbraw/zinc/24/21/88/1143242188.db2.gz GZKWJIXPIHRITF-SNVBAGLBSA-N 1 1 302.334 2.496 20 5 DEBDMO CCNC(=O)[C@@H]1CCC[N@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254570861 1143252595 /nfs/dbraw/zinc/25/25/95/1143252595.db2.gz QDRHPAXGYIUKIL-WFASDCNBSA-N 1 1 305.378 2.126 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@](O)(CF)CC1)C2 ZINC001254600739 1143275507 /nfs/dbraw/zinc/27/55/07/1143275507.db2.gz VHTXVUCBYCITQC-JKSUJKDBSA-N 1 1 308.353 2.249 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)Cn1cc[nH+]c1C ZINC001342692404 1143830750 /nfs/dbraw/zinc/83/07/50/1143830750.db2.gz IRLPDVQARUVLBD-SNVBAGLBSA-N 1 1 318.333 2.387 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001262081752 1144289020 /nfs/dbraw/zinc/28/90/20/1144289020.db2.gz FJDDYENNOQWNLO-UHFFFAOYSA-N 1 1 308.313 2.117 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001262652904 1144324965 /nfs/dbraw/zinc/32/49/65/1144324965.db2.gz TUAVDLWSOZZAMD-JTQLQIEISA-N 1 1 311.769 2.462 20 5 DEBDMO CC(C)(CCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[N+](=O)[O-] ZINC001265581057 1144714565 /nfs/dbraw/zinc/71/45/65/1144714565.db2.gz OUXWJZIFGMZTRQ-AWEZNQCLSA-N 1 1 311.426 2.203 20 5 DEBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)[N@H+]1CCCC[C@H]1C ZINC001290955712 1146844030 /nfs/dbraw/zinc/84/40/30/1146844030.db2.gz VWIPMNPYUJORAS-VXGBXAGGSA-N 1 1 320.393 2.170 20 5 DEBDMO CC[N@@H+](CCCNC(=O)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC001316885450 1147568740 /nfs/dbraw/zinc/56/87/40/1147568740.db2.gz XIGYCDMKHJVAJF-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001325276034 1147889642 /nfs/dbraw/zinc/88/96/42/1147889642.db2.gz ZCNNHGFKVZWLOS-LLVKDONJSA-N 1 1 319.340 2.322 20 5 DEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000428897021 282167489 /nfs/dbraw/zinc/16/74/89/282167489.db2.gz VYZPDVZJRDPPLH-UHFFFAOYSA-N 1 1 312.329 2.048 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000092627020 185330014 /nfs/dbraw/zinc/33/00/14/185330014.db2.gz MWDWYULXGMGYAP-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614920649 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CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccncc1 ZINC000596591695 358721141 /nfs/dbraw/zinc/72/11/41/358721141.db2.gz JYXAXKMZZBCMPF-CQSZACIVSA-N 1 1 301.350 2.269 20 5 DEBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccncc1 ZINC000596591695 358721145 /nfs/dbraw/zinc/72/11/45/358721145.db2.gz JYXAXKMZZBCMPF-CQSZACIVSA-N 1 1 301.350 2.269 20 5 DEBDMO O=C1CC[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000597206644 358854306 /nfs/dbraw/zinc/85/43/06/358854306.db2.gz PSGGQUGEPXVPCH-UJOCRUBTSA-N 1 1 315.373 2.209 20 5 DEBDMO CC1=C(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280812327 215885686 /nfs/dbraw/zinc/88/56/86/215885686.db2.gz TYSMOMOIYJJMIS-OAHLLOKOSA-N 1 1 306.362 2.377 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000618980655 363655005 /nfs/dbraw/zinc/65/50/05/363655005.db2.gz RUYGRAWAEALMJC-UHFFFAOYSA-N 1 1 323.393 2.150 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC000618980655 363655009 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20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122250949 402069094 /nfs/dbraw/zinc/06/90/94/402069094.db2.gz KJYKICSIUMDEGP-HNNXBMFYSA-N 1 1 319.405 2.436 20 5 DEBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000123433804 402127729 /nfs/dbraw/zinc/12/77/29/402127729.db2.gz TXQZPLLMXIIYIZ-NXEZZACHSA-N 1 1 321.333 2.135 20 5 DEBDMO O=C1[C@@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000153123590 402128438 /nfs/dbraw/zinc/12/84/38/402128438.db2.gz WLBYLTZJJBKFRA-ZENOOKHLSA-N 1 1 315.373 2.432 20 5 DEBDMO COCCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000066865629 402144821 /nfs/dbraw/zinc/14/48/21/402144821.db2.gz QRBOHWUGQXGTHV-UHFFFAOYSA-N 1 1 315.757 2.155 20 5 DEBDMO COCCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000066865629 402144823 /nfs/dbraw/zinc/14/48/23/402144823.db2.gz QRBOHWUGQXGTHV-UHFFFAOYSA-N 1 1 315.757 2.155 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000123964186 402156248 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321.377 2.200 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000154400366 402210917 /nfs/dbraw/zinc/21/09/17/402210917.db2.gz CMEWZMRBBPLICE-UHFFFAOYSA-N 1 1 323.418 2.485 20 5 DEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000109849575 402278002 /nfs/dbraw/zinc/27/80/02/402278002.db2.gz QWQLZOICKIQUCX-NWDGAFQWSA-N 1 1 323.418 2.143 20 5 DEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000159603485 402326403 /nfs/dbraw/zinc/32/64/03/402326403.db2.gz UEPQDYYOXXSWRU-FZMZJTMJSA-N 1 1 303.362 2.458 20 5 DEBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccc(F)cc1 ZINC000177049081 402363658 /nfs/dbraw/zinc/36/36/58/402363658.db2.gz MHIHTMFDRBRMNG-UHFFFAOYSA-N 1 1 321.308 2.189 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177084006 402368227 /nfs/dbraw/zinc/36/82/27/402368227.db2.gz JLZYTVQLPTXCCS-ONGXEEELSA-N 1 1 307.325 2.089 20 5 DEBDMO NC(=O)CC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163321868 402446769 /nfs/dbraw/zinc/44/67/69/402446769.db2.gz IUHLBAZSXZFNKN-UHFFFAOYSA-N 1 1 311.769 2.336 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCCOC1 ZINC000245481948 402464778 /nfs/dbraw/zinc/46/47/78/402464778.db2.gz CWKXFTNPWBYZEC-QWHCGFSZSA-N 1 1 321.377 2.280 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245668902 402477794 /nfs/dbraw/zinc/47/77/94/402477794.db2.gz FDBTYSSZZQYQCB-DOMZBBRYSA-N 1 1 320.393 2.439 20 5 DEBDMO C[N@@H+](CCNC(=O)NCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000170921702 402541884 /nfs/dbraw/zinc/54/18/84/402541884.db2.gz MQXHSMBQHKGPNC-UHFFFAOYSA-N 1 1 320.393 2.268 20 5 DEBDMO CC[N@@H+](CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000171161002 402562385 /nfs/dbraw/zinc/56/23/85/402562385.db2.gz AIHBEEJVOAMZTF-GFCCVEGCSA-N 1 1 320.393 2.439 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)C(C)C ZINC000171247960 402570892 /nfs/dbraw/zinc/57/08/92/402570892.db2.gz NGBZVGROOUWJIO-UHFFFAOYSA-N 1 1 310.354 2.065 20 5 DEBDMO COC(=O)C[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000179145362 402575947 /nfs/dbraw/zinc/57/59/47/402575947.db2.gz KEMZUNASCPVRTK-CQSZACIVSA-N 1 1 322.361 2.391 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000246620995 402538663 /nfs/dbraw/zinc/53/86/63/402538663.db2.gz IMFRXCOXGVPXLF-QWHCGFSZSA-N 1 1 321.377 2.077 20 5 DEBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000255276294 402682382 /nfs/dbraw/zinc/68/23/82/402682382.db2.gz HAWDEXGXTJYWAI-XURSXEJRSA-N 1 1 317.389 2.453 20 5 DEBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255499284 402689016 /nfs/dbraw/zinc/68/90/16/402689016.db2.gz BHBZKDCKRINEKD-IMVYOHCJSA-N 1 1 303.362 2.159 20 5 DEBDMO Cn1cccc1[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000175135598 402782395 /nfs/dbraw/zinc/78/23/95/402782395.db2.gz CRTOCIXMZSPBBS-OAHLLOKOSA-N 1 1 303.366 2.357 20 5 DEBDMO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])cc1F ZINC000184211152 402827008 /nfs/dbraw/zinc/82/70/08/402827008.db2.gz DTMZKIGBTSRTMY-ZWNOBZJWSA-N 1 1 312.341 2.478 20 5 DEBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])cc1F ZINC000184211152 402827010 /nfs/dbraw/zinc/82/70/10/402827010.db2.gz DTMZKIGBTSRTMY-ZWNOBZJWSA-N 1 1 312.341 2.478 20 5 DEBDMO COc1cc(C[N@@H+]2[C@H](C)CCC[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000184266943 402831362 /nfs/dbraw/zinc/83/13/62/402831362.db2.gz PBISNVRSCQUJJH-ZYHUDNBSSA-N 1 1 312.341 2.478 20 5 DEBDMO COc1cc(C[N@H+]2[C@H](C)CCC[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000184266943 402831363 /nfs/dbraw/zinc/83/13/63/402831363.db2.gz PBISNVRSCQUJJH-ZYHUDNBSSA-N 1 1 312.341 2.478 20 5 DEBDMO COc1cccc(N(C)CC[N@@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000278833461 402876210 /nfs/dbraw/zinc/87/62/10/402876210.db2.gz KGZDFUPXBTWSBK-UHFFFAOYSA-N 1 1 323.393 2.150 20 5 DEBDMO COc1cccc(N(C)CC[N@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000278833461 402876212 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DEBDMO COc1cc(C[NH2+]CC2(N(C)C)CCC2)c([N+](=O)[O-])cc1OC ZINC000275551523 403105161 /nfs/dbraw/zinc/10/51/61/403105161.db2.gz CBIDBBATHFDRIE-UHFFFAOYSA-N 1 1 323.393 2.186 20 5 DEBDMO CO[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000282121994 403124333 /nfs/dbraw/zinc/12/43/33/403124333.db2.gz QQYVGWCWCCPHJL-STQMWFEESA-N 1 1 321.377 2.423 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)c1ccc([N+](=O)[O-])c2nonc21 ZINC000269490283 403143196 /nfs/dbraw/zinc/14/31/96/403143196.db2.gz NVIQGCGFCBYYSS-UHFFFAOYSA-N 1 1 316.321 2.162 20 5 DEBDMO CC(C)N1CC[C@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000282356583 403146308 /nfs/dbraw/zinc/14/63/08/403146308.db2.gz CYMBUABJQDRHOO-HNNXBMFYSA-N 1 1 305.378 2.078 20 5 DEBDMO CCOC[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269700931 403158524 /nfs/dbraw/zinc/15/85/24/403158524.db2.gz YEKGXWFRIDVTRJ-XJKSGUPXSA-N 1 1 308.378 2.377 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@@H+](C)C(C)C ZINC000277596020 403234899 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DEBDMO CC(C)CNC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285456662 403300578 /nfs/dbraw/zinc/30/05/78/403300578.db2.gz YYJGWIDNLLWNRI-CYBMUJFWSA-N 1 1 307.394 2.230 20 5 DEBDMO CC(C)CNC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285456662 403300583 /nfs/dbraw/zinc/30/05/83/403300583.db2.gz YYJGWIDNLLWNRI-CYBMUJFWSA-N 1 1 307.394 2.230 20 5 DEBDMO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158177 403250249 /nfs/dbraw/zinc/25/02/49/403250249.db2.gz PRUBWDDFHZOSLH-RYUDHWBXSA-N 1 1 304.394 2.312 20 5 DEBDMO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158177 403250250 /nfs/dbraw/zinc/25/02/50/403250250.db2.gz PRUBWDDFHZOSLH-RYUDHWBXSA-N 1 1 304.394 2.312 20 5 DEBDMO C[C@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284228026 403255709 /nfs/dbraw/zinc/25/57/09/403255709.db2.gz ULWUKUOQVYKPFE-MDZLAQPJSA-N 1 1 304.394 2.453 20 5 DEBDMO C[C@H](N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284228026 403255710 /nfs/dbraw/zinc/25/57/10/403255710.db2.gz ULWUKUOQVYKPFE-MDZLAQPJSA-N 1 1 304.394 2.453 20 5 DEBDMO Cc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000277975073 403276103 /nfs/dbraw/zinc/27/61/03/403276103.db2.gz JWNUBFKLZITTMB-ZDUSSCGKSA-N 1 1 308.382 2.211 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000345494212 403355101 /nfs/dbraw/zinc/35/51/01/403355101.db2.gz HDLSJGCITKIQGM-LBPRGKRZSA-N 1 1 323.393 2.454 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN(c3ncnc4sc([N+](=O)[O-])cc43)C2)C1 ZINC000292166630 403310371 /nfs/dbraw/zinc/31/03/71/403310371.db2.gz DJXNTPRVHQZREJ-AWEZNQCLSA-N 1 1 319.390 2.132 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2c([N+](=O)[O-])ncn2C)C1 ZINC000339034422 403329390 /nfs/dbraw/zinc/32/93/90/403329390.db2.gz KYPZVWKEJOVEGA-BETUJISGSA-N 1 1 309.414 2.498 20 5 DEBDMO C[N@H+]1CC[C@](O)(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000342833147 403365459 /nfs/dbraw/zinc/36/54/59/403365459.db2.gz XTQDAPGLAODZFW-LBPRGKRZSA-N 1 1 320.176 2.380 20 5 DEBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000331280228 403368149 /nfs/dbraw/zinc/36/81/49/403368149.db2.gz HYTHKIRKNBUOIE-LALPHHSUSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000331280228 403368151 /nfs/dbraw/zinc/36/81/51/403368151.db2.gz HYTHKIRKNBUOIE-LALPHHSUSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339192421 403373181 /nfs/dbraw/zinc/37/31/81/403373181.db2.gz DOQXDUDGKNOWMU-TZMCWYRMSA-N 1 1 305.378 2.359 20 5 DEBDMO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331538040 403411362 /nfs/dbraw/zinc/41/13/62/403411362.db2.gz RSNUOQSBUDFIEC-QWRGUYRKSA-N 1 1 304.350 2.206 20 5 DEBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331538040 403411364 /nfs/dbraw/zinc/41/13/64/403411364.db2.gz RSNUOQSBUDFIEC-QWRGUYRKSA-N 1 1 304.350 2.206 20 5 DEBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000342960097 403412001 /nfs/dbraw/zinc/41/20/01/403412001.db2.gz LLMNLHNTQQEPRV-WBMJQRKESA-N 1 1 317.389 2.284 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1C ZINC000332125446 403490708 /nfs/dbraw/zinc/49/07/08/403490708.db2.gz CYEMOKDYUZKFSP-CMPLNLGQSA-N 1 1 316.361 2.289 20 5 DEBDMO C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000339849945 403469870 /nfs/dbraw/zinc/46/98/70/403469870.db2.gz GAGMYIVZZNJTTP-GFCCVEGCSA-N 1 1 319.405 2.471 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299022330 403503422 /nfs/dbraw/zinc/50/34/22/403503422.db2.gz MCYDUFSYLQHRFO-LBPRGKRZSA-N 1 1 308.382 2.307 20 5 DEBDMO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293864330 403585284 /nfs/dbraw/zinc/58/52/84/403585284.db2.gz UQVYBNZSNDFLPO-NSHDSACASA-N 1 1 304.394 2.454 20 5 DEBDMO C[N@@H+](CCCO)C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287236493 403556979 /nfs/dbraw/zinc/55/69/79/403556979.db2.gz JOLLQFMCSXCDPG-UHFFFAOYSA-N 1 1 311.357 2.017 20 5 DEBDMO O=C([C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000287269592 403563773 /nfs/dbraw/zinc/56/37/73/403563773.db2.gz HRFZGBDBJIEURF-OAHLLOKOSA-N 1 1 317.389 2.082 20 5 DEBDMO C[C@@H]1C[C@@H](C)[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000343529272 403624759 /nfs/dbraw/zinc/62/47/59/403624759.db2.gz MWYUMKRQRQXYAD-VXGBXAGGSA-N 1 1 312.391 2.099 20 5 DEBDMO C[C@@H]1C[C@@H](C)[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000343529272 403624763 /nfs/dbraw/zinc/62/47/63/403624763.db2.gz MWYUMKRQRQXYAD-VXGBXAGGSA-N 1 1 312.391 2.099 20 5 DEBDMO CCOc1cc(N[C@@H](C)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000301502131 403638871 /nfs/dbraw/zinc/63/88/71/403638871.db2.gz FLNUEWRXYIQVHP-ZDUSSCGKSA-N 1 1 322.409 2.041 20 5 DEBDMO CNC(=O)N[C@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347363073 403681106 /nfs/dbraw/zinc/68/11/06/403681106.db2.gz AQFDILSXGJGRHB-BCNIOPEESA-N 1 1 318.377 2.001 20 5 DEBDMO CNC(=O)[C@@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347369496 403683456 /nfs/dbraw/zinc/68/34/56/403683456.db2.gz OFGALTJNXPGPDG-UZGISAJGSA-N 1 1 317.389 2.456 20 5 DEBDMO C[C@@H]1C[N@@H+](CCCNc2ccc(N)cc2[N+](=O)[O-])CCCO1 ZINC000287892836 403687117 /nfs/dbraw/zinc/68/71/17/403687117.db2.gz VAIUOEZVRTZAOZ-GFCCVEGCSA-N 1 1 308.382 2.090 20 5 DEBDMO Cc1cc(N(C)CCC[N@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000341053048 403752606 /nfs/dbraw/zinc/75/26/06/403752606.db2.gz PWAOOFUXGSXWCH-UHFFFAOYSA-N 1 1 308.426 2.223 20 5 DEBDMO Cc1cc(N(C)CCCN(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000341053048 403752609 /nfs/dbraw/zinc/75/26/09/403752609.db2.gz PWAOOFUXGSXWCH-UHFFFAOYSA-N 1 1 308.426 2.223 20 5 DEBDMO CCOc1cc(C[N@@H+](C)CCOCCOC)ccc1[N+](=O)[O-] ZINC000289025968 403810031 /nfs/dbraw/zinc/81/00/31/403810031.db2.gz OIYRZXAUNWRNSR-UHFFFAOYSA-N 1 1 312.366 2.088 20 5 DEBDMO CC1(C)C[C@H](O)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000295295559 403837842 /nfs/dbraw/zinc/83/78/42/403837842.db2.gz GYRIWJAQFDOEPO-CQSZACIVSA-N 1 1 308.378 2.457 20 5 DEBDMO CC1(C)C[C@@H](O)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000295295557 403838244 /nfs/dbraw/zinc/83/82/44/403838244.db2.gz GYRIWJAQFDOEPO-AWEZNQCLSA-N 1 1 308.378 2.457 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000347775993 403861938 /nfs/dbraw/zinc/86/19/38/403861938.db2.gz KVMDTXWDUDRDQB-CQSZACIVSA-N 1 1 305.378 2.128 20 5 DEBDMO Cc1cc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000361810938 403880342 /nfs/dbraw/zinc/88/03/42/403880342.db2.gz GSXLRUQJQGWSOC-UONOGXRCSA-N 1 1 320.393 2.354 20 5 DEBDMO Cc1cc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc[nH+]1 ZINC000361817712 403884342 /nfs/dbraw/zinc/88/43/42/403884342.db2.gz ZPIMYGWEEHSIST-UHFFFAOYSA-N 1 1 321.358 2.432 20 5 DEBDMO C[C@H](O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000305232701 403889387 /nfs/dbraw/zinc/88/93/87/403889387.db2.gz TYESRRZWVHRVQX-QWHCGFSZSA-N 1 1 321.377 2.159 20 5 DEBDMO COc1ccc(OCC[N@H+]2CC[C@H](CO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000344177810 403959186 /nfs/dbraw/zinc/95/91/86/403959186.db2.gz SJAPLTVARUPVBW-OLZOCXBDSA-N 1 1 324.377 2.075 20 5 DEBDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000362586300 403967712 /nfs/dbraw/zinc/96/77/12/403967712.db2.gz ASRPJFPPABBNPF-LBPRGKRZSA-N 1 1 323.393 2.209 20 5 DEBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000362586300 403967720 /nfs/dbraw/zinc/96/77/20/403967720.db2.gz ASRPJFPPABBNPF-LBPRGKRZSA-N 1 1 323.393 2.209 20 5 DEBDMO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351816410 403937581 /nfs/dbraw/zinc/93/75/81/403937581.db2.gz QZMBZFLUWTZNSC-ZIAGYGMSSA-N 1 1 316.304 2.157 20 5 DEBDMO CCC(=O)N[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000354667590 403937689 /nfs/dbraw/zinc/93/76/89/403937689.db2.gz GZDNTVZMJWSTLA-AWEZNQCLSA-N 1 1 305.378 2.128 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344248255 404007469 /nfs/dbraw/zinc/00/74/69/404007469.db2.gz DBOHSBKTFVFVAS-CYBMUJFWSA-N 1 1 321.352 2.481 20 5 DEBDMO C[C@H]1[C@H](CO)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000412074764 404111993 /nfs/dbraw/zinc/11/19/93/404111993.db2.gz IUDHHHDWISISSJ-STQMWFEESA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000412098671 404132540 /nfs/dbraw/zinc/13/25/40/404132540.db2.gz VUCHMQWWHSDIKD-RYUDHWBXSA-N 1 1 322.361 2.054 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000341801122 404181545 /nfs/dbraw/zinc/18/15/45/404181545.db2.gz SRXXWRIHYZUDEZ-NEPJUHHUSA-N 1 1 323.368 2.390 20 5 DEBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C1CC1 ZINC000290497427 404193443 /nfs/dbraw/zinc/19/34/43/404193443.db2.gz AMGONVKJRQAUNW-CZUORRHYSA-N 1 1 320.389 2.455 20 5 DEBDMO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H](C)O ZINC000352188425 404201769 /nfs/dbraw/zinc/20/17/69/404201769.db2.gz YXHGGYWMVNSUGS-NSHDSACASA-N 1 1 305.334 2.453 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000369810345 404234801 /nfs/dbraw/zinc/23/48/01/404234801.db2.gz JILNXMVBPFUJQP-UHFFFAOYSA-N 1 1 324.377 2.483 20 5 DEBDMO C[N@@H+](C[C@@H](O)COc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000290771223 404305650 /nfs/dbraw/zinc/30/56/50/404305650.db2.gz LPKXAAJISOSFQT-SNVBAGLBSA-N 1 1 300.742 2.082 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000370056832 404318694 /nfs/dbraw/zinc/31/86/94/404318694.db2.gz SQIWFSFRUDWYEF-CQSZACIVSA-N 1 1 316.361 2.372 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000370056832 404318702 /nfs/dbraw/zinc/31/87/02/404318702.db2.gz SQIWFSFRUDWYEF-CQSZACIVSA-N 1 1 316.361 2.372 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCn1ccnc1)CCO2 ZINC000352621968 404497342 /nfs/dbraw/zinc/49/73/42/404497342.db2.gz VUGZEXNHQNEUBD-UHFFFAOYSA-N 1 1 302.334 2.076 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCn1ccnc1)CCO2 ZINC000352621968 404497345 /nfs/dbraw/zinc/49/73/45/404497345.db2.gz VUGZEXNHQNEUBD-UHFFFAOYSA-N 1 1 302.334 2.076 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1F ZINC000297659255 404581422 /nfs/dbraw/zinc/58/14/22/404581422.db2.gz BOIJFZVMPQECAL-MRXNPFEDSA-N 1 1 321.352 2.210 20 5 DEBDMO Cc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000297651333 404578829 /nfs/dbraw/zinc/57/88/29/404578829.db2.gz YMQOEGBEQCUFCF-TZMCWYRMSA-N 1 1 317.393 2.146 20 5 DEBDMO C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000352819509 404645577 /nfs/dbraw/zinc/64/55/77/404645577.db2.gz PGUUHYUSQBWQEI-OLZOCXBDSA-N 1 1 319.405 2.423 20 5 DEBDMO C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C ZINC000352819509 404645581 /nfs/dbraw/zinc/64/55/81/404645581.db2.gz PGUUHYUSQBWQEI-OLZOCXBDSA-N 1 1 319.405 2.423 20 5 DEBDMO Cc1c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000373933857 404647306 /nfs/dbraw/zinc/64/73/06/404647306.db2.gz NYIUKWNYYXBOFX-OLZOCXBDSA-N 1 1 303.362 2.260 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000342469667 404599349 /nfs/dbraw/zinc/59/93/49/404599349.db2.gz LVUIIAJYJLCXJF-XPTSAGLGSA-N 1 1 323.780 2.461 20 5 DEBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330505010 404674653 /nfs/dbraw/zinc/67/46/53/404674653.db2.gz JOJPRLNKSPZDFX-UHFFFAOYSA-N 1 1 308.382 2.259 20 5 DEBDMO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000330572774 404691045 /nfs/dbraw/zinc/69/10/45/404691045.db2.gz DQWDODYGRDQBNB-MNOVXSKESA-N 1 1 306.366 2.003 20 5 DEBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc2n[nH]cc2c1 ZINC000353184519 404762971 /nfs/dbraw/zinc/76/29/71/404762971.db2.gz SEUNXPCYYUOENS-SECBINFHSA-N 1 1 300.322 2.055 20 5 DEBDMO COc1ccccc1C(C)(C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000356861343 404710880 /nfs/dbraw/zinc/71/08/80/404710880.db2.gz HWTVXTMHJLNSRM-UHFFFAOYSA-N 1 1 304.350 2.362 20 5 DEBDMO COCCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353460613 404836762 /nfs/dbraw/zinc/83/67/62/404836762.db2.gz CPYREWFQMZMDAD-CQSZACIVSA-N 1 1 304.350 2.044 20 5 DEBDMO Cc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000353527369 404857678 /nfs/dbraw/zinc/85/76/78/404857678.db2.gz CTHSTKWVTKKRGO-UHFFFAOYSA-N 1 1 321.421 2.446 20 5 DEBDMO O=C1C[C@@]2(CN1)CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000353747357 404954716 /nfs/dbraw/zinc/95/47/16/404954716.db2.gz AAMXDLJGAYVQLW-ZNNBYXKUSA-N 1 1 315.373 2.210 20 5 DEBDMO CC[N@@H+](C[C@@H](C)OC)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361561672 405132446 /nfs/dbraw/zinc/13/24/46/405132446.db2.gz BPMLSRIVBZHWKI-DOMZBBRYSA-N 1 1 321.377 2.057 20 5 DEBDMO C[C@H](CO)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000361500747 405104001 /nfs/dbraw/zinc/10/40/01/405104001.db2.gz IRLHNPJHNDBRGF-CYBMUJFWSA-N 1 1 308.378 2.457 20 5 DEBDMO CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000416334681 405108220 /nfs/dbraw/zinc/10/82/20/405108220.db2.gz RAFMWECVOUXXLV-UHFFFAOYSA-N 1 1 321.377 2.247 20 5 DEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000408091940 405110028 /nfs/dbraw/zinc/11/00/28/405110028.db2.gz YEVWUZPYBFCZOO-QWRGUYRKSA-N 1 1 316.361 2.241 20 5 DEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000361569993 405136008 /nfs/dbraw/zinc/13/60/08/405136008.db2.gz ZTVXYDUEXCYGPP-QWHCGFSZSA-N 1 1 304.350 2.343 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425058352 405239066 /nfs/dbraw/zinc/23/90/66/405239066.db2.gz OVKUIADOZNBMGH-SWLSCSKDSA-N 1 1 303.362 2.069 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420593297 405359490 /nfs/dbraw/zinc/35/94/90/405359490.db2.gz XMJNXYGDJFVMKW-LBPRGKRZSA-N 1 1 320.393 2.370 20 5 DEBDMO [NH3+]C[C@H](NCCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000420377305 405337778 /nfs/dbraw/zinc/33/77/78/405337778.db2.gz VZSOVAYEVMQQER-INIZCTEOSA-N 1 1 307.394 2.471 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420941887 405412172 /nfs/dbraw/zinc/41/21/72/405412172.db2.gz OKRDSGLTJHTLDO-QWHCGFSZSA-N 1 1 308.378 2.444 20 5 DEBDMO CC(C)[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000447673534 405418190 /nfs/dbraw/zinc/41/81/90/405418190.db2.gz YQAIFAVHKXFAAB-AWEZNQCLSA-N 1 1 303.366 2.248 20 5 DEBDMO Cc1cc(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000421089934 405445777 /nfs/dbraw/zinc/44/57/77/405445777.db2.gz NOJVMACBBYVUDP-CYBMUJFWSA-N 1 1 306.366 2.461 20 5 DEBDMO CNC(=O)[C@@]1(C)CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000430772711 405506453 /nfs/dbraw/zinc/50/64/53/405506453.db2.gz MQQVQNDSULWAEY-VEMDQMBVSA-N 1 1 317.389 2.456 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493803336 405564707 /nfs/dbraw/zinc/56/47/07/405564707.db2.gz OFVANRCAZUEICG-JOZWUWCOSA-N 1 1 303.362 2.161 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000493583587 405545727 /nfs/dbraw/zinc/54/57/27/405545727.db2.gz XKFKZRYQXUDRTO-QKCSRTOESA-N 1 1 305.334 2.086 20 5 DEBDMO C[C@H](NC(=O)N1CC[N@@H+](C)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000458890389 405642671 /nfs/dbraw/zinc/64/26/71/405642671.db2.gz OUHVNLUFTKGHIJ-STQMWFEESA-N 1 1 320.393 2.391 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000457099633 405696677 /nfs/dbraw/zinc/69/66/77/405696677.db2.gz VQSQVFOFSXOQSS-LBPRGKRZSA-N 1 1 309.341 2.289 20 5 DEBDMO COC[C@]1(CO)CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000449698911 405698269 /nfs/dbraw/zinc/69/82/69/405698269.db2.gz OUYXBWAZCHSOIV-LEHPZIBWSA-N 1 1 320.389 2.329 20 5 DEBDMO C[N@@H+](CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000457166644 405732564 /nfs/dbraw/zinc/73/25/64/405732564.db2.gz LFGBCLIEBYSBCJ-UHFFFAOYSA-N 1 1 323.368 2.267 20 5 DEBDMO CC(=O)c1cc(NC[C@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450590344 405967786 /nfs/dbraw/zinc/96/77/86/405967786.db2.gz DMEIXTWHPZAQHG-CQSZACIVSA-N 1 1 321.377 2.056 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CCO)CC1 ZINC000532552480 406084186 /nfs/dbraw/zinc/08/41/86/406084186.db2.gz QMZXZNFTUPNXIE-LBPRGKRZSA-N 1 1 321.377 2.016 20 5 DEBDMO CNc1c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000489321346 406391947 /nfs/dbraw/zinc/39/19/47/406391947.db2.gz RNCCTFMAJQQBQD-CQSZACIVSA-N 1 1 320.393 2.049 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1 ZINC000489373832 406399573 /nfs/dbraw/zinc/39/95/73/406399573.db2.gz SMKWZVPUGNCQEA-HNNXBMFYSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000571193765 406490501 /nfs/dbraw/zinc/49/05/01/406490501.db2.gz KKSMCSUQWITDFR-XQQFMLRXSA-N 1 1 305.378 2.249 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1CNCC[N@H+]1CC[C@@H](C)C1 ZINC000524771190 406458719 /nfs/dbraw/zinc/45/87/19/406458719.db2.gz SVWRGIPEOQUPBM-CYBMUJFWSA-N 1 1 307.394 2.425 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CC[C@@H](C)C1 ZINC000524771190 406458724 /nfs/dbraw/zinc/45/87/24/406458724.db2.gz SVWRGIPEOQUPBM-CYBMUJFWSA-N 1 1 307.394 2.425 20 5 DEBDMO CC[N@@H+](CCNc1c([N+](=O)[O-])c(C)nn1C)CCC(F)(F)F ZINC000491542230 406615512 /nfs/dbraw/zinc/61/55/12/406615512.db2.gz BURLLKKYIBQOTF-UHFFFAOYSA-N 1 1 323.319 2.323 20 5 DEBDMO C[C@H](C(=O)NCC[N@@H+]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000527019378 406571656 /nfs/dbraw/zinc/57/16/56/406571656.db2.gz XWVLIVCXCAEWOB-ZDUSSCGKSA-N 1 1 303.362 2.076 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491733047 406692478 /nfs/dbraw/zinc/69/24/78/406692478.db2.gz HDJPIUOJTFKGPX-QPBFKRLHSA-N 1 1 321.352 2.348 20 5 DEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129357983 196041920 /nfs/dbraw/zinc/04/19/20/196041920.db2.gz LMZPGYPSNWFNTB-LSDHHAIUSA-N 1 1 319.405 2.310 20 5 DEBDMO COc1cccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000195426589 225205732 /nfs/dbraw/zinc/20/57/32/225205732.db2.gz WJMRGFOWBZWJJQ-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296577630 226011007 /nfs/dbraw/zinc/01/10/07/226011007.db2.gz DNLULKPGDJQAOS-RISCZKNCSA-N 1 1 307.350 2.428 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296577630 226011009 /nfs/dbraw/zinc/01/10/09/226011009.db2.gz DNLULKPGDJQAOS-RISCZKNCSA-N 1 1 307.350 2.428 20 5 DEBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H](C)OC ZINC000291317073 222306916 /nfs/dbraw/zinc/30/69/16/222306916.db2.gz UHLKTDSMDIBBDJ-LBPRGKRZSA-N 1 1 309.366 2.199 20 5 DEBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H](C)OC ZINC000291317073 222306920 /nfs/dbraw/zinc/30/69/20/222306920.db2.gz UHLKTDSMDIBBDJ-LBPRGKRZSA-N 1 1 309.366 2.199 20 5 DEBDMO CC[N@@H+](C[C@@H](C)OC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000291336034 222322080 /nfs/dbraw/zinc/32/20/80/222322080.db2.gz WFCHYGDPKHRBGL-NEPJUHHUSA-N 1 1 309.366 2.279 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299599850 229248905 /nfs/dbraw/zinc/24/89/05/229248905.db2.gz HAXLRRFFKVZCCR-GJZGRUSLSA-N 1 1 303.362 2.260 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000421797857 230000934 /nfs/dbraw/zinc/00/09/34/230000934.db2.gz VXWMJPQCRFXQMO-STQMWFEESA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000421797857 230000938 /nfs/dbraw/zinc/00/09/38/230000938.db2.gz VXWMJPQCRFXQMO-STQMWFEESA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1nc(NC(C)(C)CCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000302284504 230206751 /nfs/dbraw/zinc/20/67/51/230206751.db2.gz VKNCFBSCHKUJHT-UHFFFAOYSA-N 1 1 321.425 2.126 20 5 DEBDMO CC[N@@H+](CCCNc1ncc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000593487675 425007373 /nfs/dbraw/zinc/00/73/73/425007373.db2.gz AFYYCLCNCYVHMD-UHFFFAOYSA-N 1 1 307.398 2.841 20 5 DEBDMO CCc1nc(NCCNc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000341350060 424952975 /nfs/dbraw/zinc/95/29/75/424952975.db2.gz SXRBPWRPEQZPMX-UHFFFAOYSA-N 1 1 301.350 2.780 20 5 DEBDMO C[N@H+]1CCC[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000579435340 424963374 /nfs/dbraw/zinc/96/33/74/424963374.db2.gz BGKJJLVTNRDFKU-GFCCVEGCSA-N 1 1 300.362 2.897 20 5 DEBDMO CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000596516242 425026748 /nfs/dbraw/zinc/02/67/48/425026748.db2.gz DDEDHUBWKVYMBV-GFCCVEGCSA-N 1 1 308.382 2.673 20 5 DEBDMO O=[N+]([O-])c1cccc(CNc2[nH+]cccc2N2CCOCC2)c1 ZINC000359864832 269042974 /nfs/dbraw/zinc/04/29/74/269042974.db2.gz DATNXUZKIQPADC-UHFFFAOYSA-N 1 1 314.345 2.439 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CN1CCC(C[NH+](C)C)CC1 ZINC000430205680 269125861 /nfs/dbraw/zinc/12/58/61/269125861.db2.gz UUCGREWKBRVCHU-UHFFFAOYSA-N 1 1 307.394 2.377 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000516068629 269357025 /nfs/dbraw/zinc/35/70/25/269357025.db2.gz JKGUPIKMMUHETO-UHFFFAOYSA-N 1 1 306.366 2.307 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000188076153 276221435 /nfs/dbraw/zinc/22/14/35/276221435.db2.gz FGVPUBWVOGLLPJ-LLVKDONJSA-N 1 1 323.418 2.388 20 5 DEBDMO COCC[N@H+](CCc1ccccc1)Cc1c([N+](=O)[O-])ncn1C ZINC000355540163 277217301 /nfs/dbraw/zinc/21/73/01/277217301.db2.gz FQVVFHULMQLARE-UHFFFAOYSA-N 1 1 318.377 2.019 20 5 DEBDMO COCC[N@@H+](CCc1ccccc1)Cc1c([N+](=O)[O-])ncn1C ZINC000355540163 277217302 /nfs/dbraw/zinc/21/73/02/277217302.db2.gz FQVVFHULMQLARE-UHFFFAOYSA-N 1 1 318.377 2.019 20 5 DEBDMO CNc1c(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000361197762 277301323 /nfs/dbraw/zinc/30/13/23/277301323.db2.gz AKVLXAVHJNECJC-GFCCVEGCSA-N 1 1 320.393 2.050 20 5 DEBDMO COc1cccc(N2CC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000373484243 278016852 /nfs/dbraw/zinc/01/68/52/278016852.db2.gz XILXRHRXDNLAHT-NSHDSACASA-N 1 1 302.334 2.331 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000286482918 278864892 /nfs/dbraw/zinc/86/48/92/278864892.db2.gz WSTRITFXFOOSPC-KBPBESRZSA-N 1 1 305.378 2.203 20 5 DEBDMO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457085170 280203983 /nfs/dbraw/zinc/20/39/83/280203983.db2.gz MJJUMXMBKXQTQR-CYBMUJFWSA-N 1 1 305.378 2.458 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(F)c1 ZINC000135561404 280363961 /nfs/dbraw/zinc/36/39/61/280363961.db2.gz JNYHLKLMARZXDK-UONOGXRCSA-N 1 1 312.366 2.440 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c(F)c1 ZINC000135561404 280363963 /nfs/dbraw/zinc/36/39/63/280363963.db2.gz JNYHLKLMARZXDK-UONOGXRCSA-N 1 1 312.366 2.440 20 5 DEBDMO Cc1cnc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488718815 302350673 /nfs/dbraw/zinc/35/06/73/302350673.db2.gz HGKZYWCETGNKFS-MELADBBJSA-N 1 1 304.394 2.465 20 5 DEBDMO CO[C@@H](C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCOCC1 ZINC001349600098 1151263824 /nfs/dbraw/zinc/26/38/24/1151263824.db2.gz QSCYOZXCKVUDNH-INIZCTEOSA-N 1 1 306.362 2.352 20 5 DEBDMO CO[C@@H](C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCOCC1 ZINC001349600098 1151263825 /nfs/dbraw/zinc/26/38/25/1151263825.db2.gz QSCYOZXCKVUDNH-INIZCTEOSA-N 1 1 306.362 2.352 20 5 DEBDMO Cc1nnc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000576544501 326301344 /nfs/dbraw/zinc/30/13/44/326301344.db2.gz DHWGFGZXAKUKFW-MNOVXSKESA-N 1 1 322.394 2.225 20 5 DEBDMO CC[N@@H+](CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC001329992368 1149029404 /nfs/dbraw/zinc/02/94/04/1149029404.db2.gz WIKRZZDJOSBFJZ-UHFFFAOYSA-N 1 1 320.393 2.350 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000337313850 519804459 /nfs/dbraw/zinc/80/44/59/519804459.db2.gz HEPXXLZVDLEOLT-HNNXBMFYSA-N 1 1 321.377 2.280 20 5 DEBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000338426748 520587237 /nfs/dbraw/zinc/58/72/37/520587237.db2.gz SZWVXGHDNNESNX-ZDUSSCGKSA-N 1 1 322.409 2.318 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000338448157 521279348 /nfs/dbraw/zinc/27/93/48/521279348.db2.gz SNTBUHMAAWWNBQ-SMDDNHRTSA-N 1 1 321.377 2.206 20 5 DEBDMO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000156321131 524899620 /nfs/dbraw/zinc/89/96/20/524899620.db2.gz WOPSVFUQXVBPLO-WCQYABFASA-N 1 1 323.368 2.218 20 5 DEBDMO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000364267858 526981715 /nfs/dbraw/zinc/98/17/15/526981715.db2.gz DPPYMCJIHRMRHF-CVEARBPZSA-N 1 1 318.373 2.207 20 5 DEBDMO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000364267858 526981718 /nfs/dbraw/zinc/98/17/18/526981718.db2.gz DPPYMCJIHRMRHF-CVEARBPZSA-N 1 1 318.373 2.207 20 5 DEBDMO CC(=O)c1ccc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292386407 527288692 /nfs/dbraw/zinc/28/86/92/527288692.db2.gz SYXKNHUXICOPPO-MRXNPFEDSA-N 1 1 303.362 2.329 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000292720725 528355065 /nfs/dbraw/zinc/35/50/65/528355065.db2.gz OUSHSGBYVZEJEC-ZDUSSCGKSA-N 1 1 307.394 2.374 20 5 DEBDMO CC[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000444924792 528497891 /nfs/dbraw/zinc/49/78/91/528497891.db2.gz OEXBPVTYFBMUQP-UHFFFAOYSA-N 1 1 324.381 2.455 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000330985319 528743131 /nfs/dbraw/zinc/74/31/31/528743131.db2.gz LDMKSVVJIUEOPJ-INIZCTEOSA-N 1 1 307.394 2.246 20 5 DEBDMO CC(C)[C@@H]1CN(C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000330985319 528743138 /nfs/dbraw/zinc/74/31/38/528743138.db2.gz LDMKSVVJIUEOPJ-INIZCTEOSA-N 1 1 307.394 2.246 20 5 DEBDMO CC(C)[C@@H]1CN(C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000330985319 528743144 /nfs/dbraw/zinc/74/31/44/528743144.db2.gz LDMKSVVJIUEOPJ-INIZCTEOSA-N 1 1 307.394 2.246 20 5 DEBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CC1 ZINC000355608118 535785078 /nfs/dbraw/zinc/78/50/78/535785078.db2.gz PECOZXOUBKNIHL-UHFFFAOYSA-N 1 1 308.334 2.131 20 5 DEBDMO C[N@H+]1CCCC12CCN(C(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000374874420 536352468 /nfs/dbraw/zinc/35/24/68/536352468.db2.gz JIPACFIRRWKJCG-UHFFFAOYSA-N 1 1 303.362 2.295 20 5 DEBDMO CC1([NH2+]CCC2CCCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001327981722 1148692000 /nfs/dbraw/zinc/69/20/00/1148692000.db2.gz IEJLILYMCZWDHZ-HUUCEWRRSA-N 1 1 323.437 2.203 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000892723114 625487614 /nfs/dbraw/zinc/48/76/14/625487614.db2.gz ZRGXKXBQTNJMLS-LLVKDONJSA-N 1 1 319.365 2.299 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000840762049 633222651 /nfs/dbraw/zinc/22/26/51/633222651.db2.gz LACJMCPWXGNWAS-LBPRGKRZSA-N 1 1 308.407 2.318 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000893515641 634079263 /nfs/dbraw/zinc/07/92/63/634079263.db2.gz LBAYZWVMNXYDRR-LBPRGKRZSA-N 1 1 306.366 2.427 20 5 DEBDMO O=C(NCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC001000345108 635150514 /nfs/dbraw/zinc/15/05/14/635150514.db2.gz GPIKEYFCOLZKIQ-UHFFFAOYSA-N 1 1 315.373 2.253 20 5 DEBDMO O=C(NCC1=CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC001000345108 635150515 /nfs/dbraw/zinc/15/05/15/635150515.db2.gz GPIKEYFCOLZKIQ-UHFFFAOYSA-N 1 1 315.373 2.253 20 5 DEBDMO CC(C)(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981764819 635634432 /nfs/dbraw/zinc/63/44/32/635634432.db2.gz DXXDNKFFDXUKHH-ZIAGYGMSSA-N 1 1 323.437 2.012 20 5 DEBDMO CC(C)(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981764819 635634436 /nfs/dbraw/zinc/63/44/36/635634436.db2.gz DXXDNKFFDXUKHH-ZIAGYGMSSA-N 1 1 323.437 2.012 20 5 DEBDMO CC(C)(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981764819 635634440 /nfs/dbraw/zinc/63/44/40/635634440.db2.gz DXXDNKFFDXUKHH-ZIAGYGMSSA-N 1 1 323.437 2.012 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000893873363 636052821 /nfs/dbraw/zinc/05/28/21/636052821.db2.gz PSSRPUANQPJCLK-LBPRGKRZSA-N 1 1 311.769 2.001 20 5 DEBDMO C[N@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@H]2C1 ZINC000893941689 636070712 /nfs/dbraw/zinc/07/07/12/636070712.db2.gz VGDHDZIMPUMBBY-SKDRFNHKSA-N 1 1 313.304 2.337 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000893959115 636076630 /nfs/dbraw/zinc/07/66/30/636076630.db2.gz GIKCLXALEMBARI-GFCCVEGCSA-N 1 1 320.393 2.309 20 5 DEBDMO COC(OC)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000922311662 636078785 /nfs/dbraw/zinc/07/87/85/636078785.db2.gz JGIRUEXYTOJFAI-MRVPVSSYSA-N 1 1 320.292 2.293 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000894756381 637197227 /nfs/dbraw/zinc/19/72/27/637197227.db2.gz YULTVRMXZRYMIA-GFCCVEGCSA-N 1 1 324.377 2.292 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000894756382 637197301 /nfs/dbraw/zinc/19/73/01/637197301.db2.gz YULTVRMXZRYMIA-LBPRGKRZSA-N 1 1 324.377 2.292 20 5 DEBDMO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1C[NH3+] ZINC000923498791 637216138 /nfs/dbraw/zinc/21/61/38/637216138.db2.gz QAIOQJMAKLJNMJ-GHMZBOCLSA-N 1 1 304.350 2.153 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928451488 637262881 /nfs/dbraw/zinc/26/28/81/637262881.db2.gz UENBIHAODHCOAQ-BXUZGUMPSA-N 1 1 305.378 2.081 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000895100394 637558684 /nfs/dbraw/zinc/55/86/84/637558684.db2.gz CDTOEFCWQLAXFA-LBPRGKRZSA-N 1 1 309.414 2.286 20 5 DEBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000928556811 637679432 /nfs/dbraw/zinc/67/94/32/637679432.db2.gz QSSGBTVQJJIZKH-QMMMGPOBSA-N 1 1 318.160 2.336 20 5 DEBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000928556811 637679436 /nfs/dbraw/zinc/67/94/36/637679436.db2.gz QSSGBTVQJJIZKH-QMMMGPOBSA-N 1 1 318.160 2.336 20 5 DEBDMO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000839199374 637823891 /nfs/dbraw/zinc/82/38/91/637823891.db2.gz AALPPKOTUBSFTA-WDEREUQCSA-N 1 1 321.160 2.405 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000839392884 637866193 /nfs/dbraw/zinc/86/61/93/637866193.db2.gz RQUUJAFPQVYNBK-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000839392884 637866197 /nfs/dbraw/zinc/86/61/97/637866197.db2.gz RQUUJAFPQVYNBK-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@]1(O)CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000895758723 638184768 /nfs/dbraw/zinc/18/47/68/638184768.db2.gz MJGSQNFPLUXVIH-HNNXBMFYSA-N 1 1 310.350 2.046 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000744344894 638211863 /nfs/dbraw/zinc/21/18/63/638211863.db2.gz HMUXDMKZXHXYEJ-ZDUSSCGKSA-N 1 1 319.405 2.473 20 5 DEBDMO O=C1CC2(CCC2)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1 ZINC000895926999 638270007 /nfs/dbraw/zinc/27/00/07/638270007.db2.gz JCUPUEPKVHSEBB-UHFFFAOYSA-N 1 1 323.780 2.493 20 5 DEBDMO O=C1CC2(CCC2)[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1 ZINC000895926999 638270011 /nfs/dbraw/zinc/27/00/11/638270011.db2.gz JCUPUEPKVHSEBB-UHFFFAOYSA-N 1 1 323.780 2.493 20 5 DEBDMO CNC(=O)C1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000746673323 638368413 /nfs/dbraw/zinc/36/84/13/638368413.db2.gz QDWZSSSCLGUORR-UHFFFAOYSA-N 1 1 311.769 2.397 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C3OCCO3)C2)cc1Cl ZINC000896388088 638497151 /nfs/dbraw/zinc/49/71/51/638497151.db2.gz XVCXMQZWYGURCW-NSHDSACASA-N 1 1 312.753 2.443 20 5 DEBDMO CO[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000751940934 639138968 /nfs/dbraw/zinc/13/89/68/639138968.db2.gz PAWISKUWYUQBNN-OAHLLOKOSA-N 1 1 302.334 2.137 20 5 DEBDMO CO[C@@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000751940934 639138970 /nfs/dbraw/zinc/13/89/70/639138970.db2.gz PAWISKUWYUQBNN-OAHLLOKOSA-N 1 1 302.334 2.137 20 5 DEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000755148940 639523187 /nfs/dbraw/zinc/52/31/87/639523187.db2.gz RRUZZMRQPOUPDF-IEZBTEQYSA-N 1 1 315.373 2.351 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCCOCC3)c2)cc1 ZINC000728899971 639630061 /nfs/dbraw/zinc/63/00/61/639630061.db2.gz ZQJUPSCNDBOESR-UHFFFAOYSA-N 1 1 302.334 2.138 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCCOCC3)c2)cc1 ZINC000728899971 639630063 /nfs/dbraw/zinc/63/00/63/639630063.db2.gz ZQJUPSCNDBOESR-UHFFFAOYSA-N 1 1 302.334 2.138 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@@H]4COCC[C@@H]43)c2c1 ZINC000756879778 639708826 /nfs/dbraw/zinc/70/88/26/639708826.db2.gz QPKLAACFJPYRPT-HIFRSBDPSA-N 1 1 316.361 2.403 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000839729315 639827040 /nfs/dbraw/zinc/82/70/40/639827040.db2.gz VWWKPTTWDFOMTJ-JTQLQIEISA-N 1 1 311.769 2.462 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2C[C@H]21 ZINC000761098958 640270244 /nfs/dbraw/zinc/27/02/44/640270244.db2.gz XELNOYSJDOLLFM-GXFFZTMASA-N 1 1 305.334 2.026 20 5 DEBDMO Cc1ccc(NC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000929117689 640770888 /nfs/dbraw/zinc/77/08/88/640770888.db2.gz CTIZEKAIAMPXLH-WBMJQRKESA-N 1 1 318.377 2.319 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000765632595 640803037 /nfs/dbraw/zinc/80/30/37/640803037.db2.gz ATBINSIQWDUIIT-WDEREUQCSA-N 1 1 308.338 2.422 20 5 DEBDMO O=C(C[NH2+]Cc1csc([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000729685129 640825842 /nfs/dbraw/zinc/82/58/42/640825842.db2.gz UENQFMPMZNWASZ-UHFFFAOYSA-N 1 1 317.370 2.335 20 5 DEBDMO C[N@H+]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000766713530 640907597 /nfs/dbraw/zinc/90/75/97/640907597.db2.gz SFZWFHZHRVUSCB-UHFFFAOYSA-N 1 1 308.407 2.318 20 5 DEBDMO COc1c(O)ccc(CNCC[N@H+]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000898034264 641007407 /nfs/dbraw/zinc/00/74/07/641007407.db2.gz MQDRCXNCVWRNLC-UHFFFAOYSA-N 1 1 323.393 2.131 20 5 DEBDMO COc1c(O)ccc(C[NH2+]CCN2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000898034264 641007410 /nfs/dbraw/zinc/00/74/10/641007410.db2.gz MQDRCXNCVWRNLC-UHFFFAOYSA-N 1 1 323.393 2.131 20 5 DEBDMO COc1ccc(CNCC[N@@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000898035721 641007932 /nfs/dbraw/zinc/00/79/32/641007932.db2.gz XLIZDDRAPKFPBL-UHFFFAOYSA-N 1 1 307.394 2.425 20 5 DEBDMO COc1ccc(CNCC[N@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000898035721 641007935 /nfs/dbraw/zinc/00/79/35/641007935.db2.gz XLIZDDRAPKFPBL-UHFFFAOYSA-N 1 1 307.394 2.425 20 5 DEBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000771394495 641504862 /nfs/dbraw/zinc/50/48/62/641504862.db2.gz HWXUPYPISAMVEJ-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000771394495 641504866 /nfs/dbraw/zinc/50/48/66/641504866.db2.gz HWXUPYPISAMVEJ-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[N@H+](CC(=O)OCc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000772046267 641591285 /nfs/dbraw/zinc/59/12/85/641591285.db2.gz HJZZUHUTJYFDOY-GFCCVEGCSA-N 1 1 310.375 2.075 20 5 DEBDMO C[N@@H+](CC(=O)OCc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000772046267 641591290 /nfs/dbraw/zinc/59/12/90/641591290.db2.gz HJZZUHUTJYFDOY-GFCCVEGCSA-N 1 1 310.375 2.075 20 5 DEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898495243 641681798 /nfs/dbraw/zinc/68/17/98/641681798.db2.gz KMZMZJBANKYGNB-AWEZNQCLSA-N 1 1 323.368 2.078 20 5 DEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898495243 641681799 /nfs/dbraw/zinc/68/17/99/641681799.db2.gz KMZMZJBANKYGNB-AWEZNQCLSA-N 1 1 323.368 2.078 20 5 DEBDMO O=C(OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842307221 650702013 /nfs/dbraw/zinc/70/20/13/650702013.db2.gz PCABCNDJCREPJS-BZUAXINKSA-N 1 1 318.373 2.107 20 5 DEBDMO O=C(OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842307221 650702019 /nfs/dbraw/zinc/70/20/19/650702019.db2.gz PCABCNDJCREPJS-BZUAXINKSA-N 1 1 318.373 2.107 20 5 DEBDMO O=C(OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842307221 650702022 /nfs/dbraw/zinc/70/20/22/650702022.db2.gz PCABCNDJCREPJS-BZUAXINKSA-N 1 1 318.373 2.107 20 5 DEBDMO C[C@H]1[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000842369888 650719869 /nfs/dbraw/zinc/71/98/69/650719869.db2.gz PMAVXKURDNIQKA-LCGIIJARSA-N 1 1 318.373 2.248 20 5 DEBDMO C[C@H]1[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000842369888 650719874 /nfs/dbraw/zinc/71/98/74/650719874.db2.gz PMAVXKURDNIQKA-LCGIIJARSA-N 1 1 318.373 2.248 20 5 DEBDMO C[C@H]1[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000842369888 650719877 /nfs/dbraw/zinc/71/98/77/650719877.db2.gz PMAVXKURDNIQKA-LCGIIJARSA-N 1 1 318.373 2.248 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842369621 650719961 /nfs/dbraw/zinc/71/99/61/650719961.db2.gz LGYSMTMXVJGFBO-MIGQKNRLSA-N 1 1 318.373 2.105 20 5 DEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842369621 650719965 /nfs/dbraw/zinc/71/99/65/650719965.db2.gz LGYSMTMXVJGFBO-MIGQKNRLSA-N 1 1 318.373 2.105 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842369621 650719968 /nfs/dbraw/zinc/71/99/68/650719968.db2.gz LGYSMTMXVJGFBO-MIGQKNRLSA-N 1 1 318.373 2.105 20 5 DEBDMO C[N@@H+](CCc1ccccn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272543 642152224 /nfs/dbraw/zinc/15/22/24/642152224.db2.gz VSUMCDKTZQIFEJ-MRXNPFEDSA-N 1 1 301.346 2.198 20 5 DEBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000776582935 642188367 /nfs/dbraw/zinc/18/83/67/642188367.db2.gz WVHPPMPZBWOFSB-IRXDYDNUSA-N 1 1 316.357 2.294 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000776590975 642189499 /nfs/dbraw/zinc/18/94/99/642189499.db2.gz LAGAKPYAAORNMP-UKRRQHHQSA-N 1 1 316.361 2.231 20 5 DEBDMO C[C@]1(CCCO)CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776595860 642190559 /nfs/dbraw/zinc/19/05/59/642190559.db2.gz BSGRBQKQICKPDQ-HZPDHXFCSA-N 1 1 308.378 2.255 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1C ZINC000901309339 642620447 /nfs/dbraw/zinc/62/04/47/642620447.db2.gz VILGVZQIDDHZKN-CHWSQXEVSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1C ZINC000901309339 642620450 /nfs/dbraw/zinc/62/04/50/642620450.db2.gz VILGVZQIDDHZKN-CHWSQXEVSA-N 1 1 305.378 2.376 20 5 DEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782608079 642904508 /nfs/dbraw/zinc/90/45/08/642904508.db2.gz KIBDWFBCTIURCZ-CJNGLKHVSA-N 1 1 306.362 2.196 20 5 DEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782608079 642904510 /nfs/dbraw/zinc/90/45/10/642904510.db2.gz KIBDWFBCTIURCZ-CJNGLKHVSA-N 1 1 306.362 2.196 20 5 DEBDMO COCCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783715230 643040705 /nfs/dbraw/zinc/04/07/05/643040705.db2.gz LBFMVFAEIAWKRB-LBPRGKRZSA-N 1 1 314.769 2.486 20 5 DEBDMO COCCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783715230 643040710 /nfs/dbraw/zinc/04/07/10/643040710.db2.gz LBFMVFAEIAWKRB-LBPRGKRZSA-N 1 1 314.769 2.486 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000902826787 643153137 /nfs/dbraw/zinc/15/31/37/643153137.db2.gz WOKMMCKHAZAMBR-GXTWGEPZSA-N 1 1 304.350 2.295 20 5 DEBDMO CCn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000842834159 650834900 /nfs/dbraw/zinc/83/49/00/650834900.db2.gz RAEAVPGIGWJXLE-GFCCVEGCSA-N 1 1 324.381 2.088 20 5 DEBDMO Cc1c(C(=O)OC[C@@H]2C[N@@H+](C(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000789771304 643773135 /nfs/dbraw/zinc/77/31/35/643773135.db2.gz IMPLJXNCQDACAE-ZDUSSCGKSA-N 1 1 322.361 2.169 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000793928709 644323319 /nfs/dbraw/zinc/32/33/19/644323319.db2.gz UUTINDUMCDGTTK-NEPJUHHUSA-N 1 1 321.352 2.066 20 5 DEBDMO CC(C)[C@@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794633235 644448766 /nfs/dbraw/zinc/44/87/66/644448766.db2.gz UNFDCWKCVBZHFO-LLVKDONJSA-N 1 1 305.334 2.438 20 5 DEBDMO CC(C)[C@@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794633235 644448770 /nfs/dbraw/zinc/44/87/70/644448770.db2.gz UNFDCWKCVBZHFO-LLVKDONJSA-N 1 1 305.334 2.438 20 5 DEBDMO Cc1c(-c2noc(C[NH2+]C[C@H]3CCCO3)n2)cccc1[N+](=O)[O-] ZINC000843238805 650936268 /nfs/dbraw/zinc/93/62/68/650936268.db2.gz ZVDKBBOVQBRGSQ-LLVKDONJSA-N 1 1 318.333 2.222 20 5 DEBDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cn2nccc2[N+](=O)[O-])C1 ZINC000799155257 645134385 /nfs/dbraw/zinc/13/43/85/645134385.db2.gz HJYHPTFTYKKFAO-RQJABVFESA-N 1 1 308.382 2.010 20 5 DEBDMO C[C@@H]1C[C@@H](C)[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840010296 645674943 /nfs/dbraw/zinc/67/49/43/645674943.db2.gz VKAYFXLTMRLMQF-HSMVNMDESA-N 1 1 319.361 2.220 20 5 DEBDMO C[C@@H]1C[C@@H](C)[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840010296 645674948 /nfs/dbraw/zinc/67/49/48/645674948.db2.gz VKAYFXLTMRLMQF-HSMVNMDESA-N 1 1 319.361 2.220 20 5 DEBDMO CC1(C)CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840014829 645683237 /nfs/dbraw/zinc/68/32/37/645683237.db2.gz KPMYMFBICRMFAA-HNNXBMFYSA-N 1 1 319.361 2.221 20 5 DEBDMO CC1(C)CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840014829 645683240 /nfs/dbraw/zinc/68/32/40/645683240.db2.gz KPMYMFBICRMFAA-HNNXBMFYSA-N 1 1 319.361 2.221 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000843838724 651038457 /nfs/dbraw/zinc/03/84/57/651038457.db2.gz POOWIRXMCYBAIY-SNVBAGLBSA-N 1 1 309.341 2.209 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000843838724 651038459 /nfs/dbraw/zinc/03/84/59/651038459.db2.gz POOWIRXMCYBAIY-SNVBAGLBSA-N 1 1 309.341 2.209 20 5 DEBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000804347086 645759413 /nfs/dbraw/zinc/75/94/13/645759413.db2.gz FNWKZELZNNBVKU-JTQLQIEISA-N 1 1 306.322 2.399 20 5 DEBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ccc([N+](=O)[O-])cc1F ZINC000808132330 646036637 /nfs/dbraw/zinc/03/66/37/646036637.db2.gz BAQVIABMPZYQBZ-UHFFFAOYSA-N 1 1 312.389 2.054 20 5 DEBDMO CN(CCCN(C)c1ccc([N+](=O)[O-])cc1F)CC[NH+](C)C ZINC000808132330 646036642 /nfs/dbraw/zinc/03/66/42/646036642.db2.gz BAQVIABMPZYQBZ-UHFFFAOYSA-N 1 1 312.389 2.054 20 5 DEBDMO CNc1c(C(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000810841060 646431785 /nfs/dbraw/zinc/43/17/85/646431785.db2.gz KDSDZAJLNLFTEE-VXGBXAGGSA-N 1 1 319.361 2.420 20 5 DEBDMO O=C(COc1cccc([N+](=O)[O-])c1)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810850907 646435879 /nfs/dbraw/zinc/43/58/79/646435879.db2.gz PDQRJCGMILOZDN-DOMZBBRYSA-N 1 1 320.345 2.144 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168623690 646593236 /nfs/dbraw/zinc/59/32/36/646593236.db2.gz BDNWHLMGVDSYQC-JTQLQIEISA-N 1 1 309.753 2.215 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1C ZINC000168654049 646593919 /nfs/dbraw/zinc/59/39/19/646593919.db2.gz PHIXTPHEVFXRRQ-GXSJLCMTSA-N 1 1 311.769 2.461 20 5 DEBDMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815560257 647031017 /nfs/dbraw/zinc/03/10/17/647031017.db2.gz BZHKQNNYYSVZJN-IACUBPJLSA-N 1 1 304.394 2.454 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000817296372 647261876 /nfs/dbraw/zinc/26/18/76/647261876.db2.gz HIFVHWYCZHTPAP-BBRMVZONSA-N 1 1 308.378 2.113 20 5 DEBDMO O=[N+]([O-])c1c(NC[C@H]2CC[N@H+](C3CC3)C2)nc2ccccn21 ZINC000915211512 647495224 /nfs/dbraw/zinc/49/52/24/647495224.db2.gz XKDLGOVAJGVXAG-LLVKDONJSA-N 1 1 301.350 2.139 20 5 DEBDMO C[NH+](C)[C@@H]1CCC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819134669 647590605 /nfs/dbraw/zinc/59/06/05/647590605.db2.gz KSUAIIZPLJLNNQ-SQWLQELKSA-N 1 1 307.394 2.091 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000819173955 647601265 /nfs/dbraw/zinc/60/12/65/647601265.db2.gz QMGALWBXRMCFSO-KGLIPLIRSA-N 1 1 302.334 2.019 20 5 DEBDMO C[NH+](C)[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000819909763 647738562 /nfs/dbraw/zinc/73/85/62/647738562.db2.gz HZDFTKFBCJIPIN-OAHLLOKOSA-N 1 1 314.345 2.418 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000821727561 648098522 /nfs/dbraw/zinc/09/85/22/648098522.db2.gz BTQXYOASDUGTJA-UHFFFAOYSA-N 1 1 303.362 2.203 20 5 DEBDMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000920403851 648223668 /nfs/dbraw/zinc/22/36/68/648223668.db2.gz IXSLTOGMKUFPJX-BZPMIXESSA-N 1 1 320.393 2.438 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823926522 648500596 /nfs/dbraw/zinc/50/05/96/648500596.db2.gz ALQNXBNKGQFHNW-LLVKDONJSA-N 1 1 321.381 2.030 20 5 DEBDMO C[N@@H+](CCCCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000823927355 648501392 /nfs/dbraw/zinc/50/13/92/648501392.db2.gz USYPIDWTAGYURU-UHFFFAOYSA-N 1 1 321.381 2.173 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000825625646 648789749 /nfs/dbraw/zinc/78/97/49/648789749.db2.gz OGDFMOYHOAPMBB-CQSZACIVSA-N 1 1 323.368 2.267 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827311990 649012219 /nfs/dbraw/zinc/01/22/19/649012219.db2.gz SGHCKCFHMCTRHQ-ZBFHGGJFSA-N 1 1 317.389 2.080 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000827499308 649043168 /nfs/dbraw/zinc/04/31/68/649043168.db2.gz BYMOKZJHYJEABD-CQSZACIVSA-N 1 1 309.341 2.146 20 5 DEBDMO Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000828466686 649182849 /nfs/dbraw/zinc/18/28/49/649182849.db2.gz UZUKSZBTTIFMMM-AWEZNQCLSA-N 1 1 305.378 2.392 20 5 DEBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000831547790 649609125 /nfs/dbraw/zinc/60/91/25/649609125.db2.gz WRXRCZWFPAATAX-HUUCEWRRSA-N 1 1 308.378 2.375 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000831971316 649665167 /nfs/dbraw/zinc/66/51/67/649665167.db2.gz NRKRYJYOKBPAOI-ZDUSSCGKSA-N 1 1 322.365 2.419 20 5 DEBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CO)CC(C)(C)C ZINC000832093955 649674610 /nfs/dbraw/zinc/67/46/10/649674610.db2.gz JZMHTJOLWMYESO-LSDHHAIUSA-N 1 1 310.394 2.357 20 5 DEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C1CC1 ZINC000844479122 651134388 /nfs/dbraw/zinc/13/43/88/651134388.db2.gz WDNNOUOVDVTLNT-QWHCGFSZSA-N 1 1 322.336 2.365 20 5 DEBDMO COCC[NH+]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845458037 651244869 /nfs/dbraw/zinc/24/48/69/651244869.db2.gz FJUGGVRINUKGCC-UHFFFAOYSA-N 1 1 317.748 2.156 20 5 DEBDMO CCON(C)C(=O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000846064119 651305618 /nfs/dbraw/zinc/30/56/18/651305618.db2.gz CZCJBQOPNWGJKQ-UHFFFAOYSA-N 1 1 309.366 2.218 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000846931684 651362860 /nfs/dbraw/zinc/36/28/60/651362860.db2.gz IFVCTKMEPHLJDE-OAHLLOKOSA-N 1 1 323.368 2.031 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000846931684 651362861 /nfs/dbraw/zinc/36/28/61/651362861.db2.gz IFVCTKMEPHLJDE-OAHLLOKOSA-N 1 1 323.368 2.031 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000846931684 651362863 /nfs/dbraw/zinc/36/28/63/651362863.db2.gz IFVCTKMEPHLJDE-OAHLLOKOSA-N 1 1 323.368 2.031 20 5 DEBDMO C[C@@H]([C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1)[NH+]1CCCC1 ZINC000851133477 652076618 /nfs/dbraw/zinc/07/66/18/652076618.db2.gz APEIFFKCPCACIR-XZDPQHSOSA-N 1 1 318.373 2.420 20 5 DEBDMO O=C1CC[C@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000852134865 652349410 /nfs/dbraw/zinc/34/94/10/652349410.db2.gz IOZZGLQJSHCXIH-DZGCQCFKSA-N 1 1 304.346 2.480 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852431555 652400519 /nfs/dbraw/zinc/40/05/19/652400519.db2.gz CKEBJINKMJRHPD-RYUDHWBXSA-N 1 1 305.334 2.182 20 5 DEBDMO CC1(C)[C@@H]2C[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccccn4)n3)C[C@@H]21 ZINC000853499784 652556410 /nfs/dbraw/zinc/55/64/10/652556410.db2.gz XSKNKLHHECEUFS-TXEJJXNPSA-N 1 1 313.361 2.399 20 5 DEBDMO CC1(C)[C@@H]2C[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccccn4)n3)C[C@@H]21 ZINC000853499784 652556418 /nfs/dbraw/zinc/55/64/18/652556418.db2.gz XSKNKLHHECEUFS-TXEJJXNPSA-N 1 1 313.361 2.399 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000853591885 652574880 /nfs/dbraw/zinc/57/48/80/652574880.db2.gz YHOOFECJBMPNAG-OLZOCXBDSA-N 1 1 316.361 2.179 20 5 DEBDMO CC[N@H+]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000853686856 652589976 /nfs/dbraw/zinc/58/99/76/652589976.db2.gz MQHVHOLZYMHRKX-LBPRGKRZSA-N 1 1 303.366 2.163 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000858715182 685584904 /nfs/dbraw/zinc/58/49/04/685584904.db2.gz IILCNCHTTLTAKP-LBPRGKRZSA-N 1 1 303.366 2.386 20 5 DEBDMO C[C@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000928439343 693779747 /nfs/dbraw/zinc/77/97/47/693779747.db2.gz NREOHMSHIMAGHP-IINYFYTJSA-N 1 1 323.368 2.220 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000932341993 694596616 /nfs/dbraw/zinc/59/66/16/694596616.db2.gz LKAVNYYUQXQHRW-GFCCVEGCSA-N 1 1 307.350 2.034 20 5 DEBDMO C[N@@H+](CC1CCOCC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000124635884 684137148 /nfs/dbraw/zinc/13/71/48/684137148.db2.gz JFYQZSFTVOFPDB-UHFFFAOYSA-N 1 1 304.350 2.260 20 5 DEBDMO CC(C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000160378075 684326647 /nfs/dbraw/zinc/32/66/47/684326647.db2.gz YARLFPNEXFCHTD-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1cccc([N+](=O)[O-])c1C ZINC000861031961 685987439 /nfs/dbraw/zinc/98/74/39/685987439.db2.gz DVPWIECKEIHYKY-ZDUSSCGKSA-N 1 1 322.361 2.171 20 5 DEBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000861339264 686046083 /nfs/dbraw/zinc/04/60/83/686046083.db2.gz SUHLCVZXULSFOZ-BLLLJJGKSA-N 1 1 322.361 2.169 20 5 DEBDMO O=C(OCC[NH+]1CCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000861387869 686072088 /nfs/dbraw/zinc/07/20/88/686072088.db2.gz LUNSMSJPFDHIOG-UHFFFAOYSA-N 1 1 318.251 2.476 20 5 DEBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000862725322 686365845 /nfs/dbraw/zinc/36/58/45/686365845.db2.gz NUWABDFWHUGQGY-KUGGDMIFSA-N 1 1 303.362 2.209 20 5 DEBDMO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[N+](=O)[O-] ZINC000930044378 694076542 /nfs/dbraw/zinc/07/65/42/694076542.db2.gz ZHNVJAZJZCEYST-YHWZYXNKSA-N 1 1 313.398 2.173 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865476233 687226912 /nfs/dbraw/zinc/22/69/12/687226912.db2.gz KRNILZULPAWRCA-LLVKDONJSA-N 1 1 311.357 2.368 20 5 DEBDMO CC(=O)c1ccc(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC000865998258 687404598 /nfs/dbraw/zinc/40/45/98/687404598.db2.gz AIEVLYRXCYJMIM-ZDUSSCGKSA-N 1 1 321.377 2.055 20 5 DEBDMO C[N@H+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CCC1(C)C ZINC000866109403 687449712 /nfs/dbraw/zinc/44/97/12/687449712.db2.gz GQBZKXURDPFTLL-UHFFFAOYSA-N 1 1 311.357 2.147 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000866152237 687467056 /nfs/dbraw/zinc/46/70/56/687467056.db2.gz AOEGRHCPPYVMBU-RISCZKNCSA-N 1 1 304.350 2.153 20 5 DEBDMO COc1cc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000866205811 687491273 /nfs/dbraw/zinc/49/12/73/687491273.db2.gz AMARSMTZAZVZTI-JQWIXIFHSA-N 1 1 309.341 2.273 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000866206520 687491566 /nfs/dbraw/zinc/49/15/66/687491566.db2.gz SASLXICFJSWVON-NHYWBVRUSA-N 1 1 313.361 2.068 20 5 DEBDMO CC[C@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1cccc([N+](=O)[O-])c1 ZINC000866411749 687563996 /nfs/dbraw/zinc/56/39/96/687563996.db2.gz VFNHMWAIISRHNT-HOCLYGCPSA-N 1 1 321.421 2.481 20 5 DEBDMO CC[C@H](N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1cccc([N+](=O)[O-])c1 ZINC000866411749 687564001 /nfs/dbraw/zinc/56/40/01/687564001.db2.gz VFNHMWAIISRHNT-HOCLYGCPSA-N 1 1 321.421 2.481 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868738631 688120888 /nfs/dbraw/zinc/12/08/88/688120888.db2.gz MNYXZDUSYMKSHE-CYBMUJFWSA-N 1 1 323.368 2.219 20 5 DEBDMO C[C@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000870789250 688654370 /nfs/dbraw/zinc/65/43/70/688654370.db2.gz UVLUZABESUWIAJ-VXGBXAGGSA-N 1 1 309.366 2.353 20 5 DEBDMO C[NH+](C)C1(C)CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000871361500 688780773 /nfs/dbraw/zinc/78/07/73/688780773.db2.gz LPXYKSCTZSCBQA-UHFFFAOYSA-N 1 1 321.377 2.293 20 5 DEBDMO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036476 688917676 /nfs/dbraw/zinc/91/76/76/688917676.db2.gz SLBNQRZAPSIOHI-NWDGAFQWSA-N 1 1 312.341 2.438 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000873044354 689147537 /nfs/dbraw/zinc/14/75/37/689147537.db2.gz KZODGODTWBEYQU-CABCVRRESA-N 1 1 319.405 2.164 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000873044354 689147539 /nfs/dbraw/zinc/14/75/39/689147539.db2.gz KZODGODTWBEYQU-CABCVRRESA-N 1 1 319.405 2.164 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000874827142 689501586 /nfs/dbraw/zinc/50/15/86/689501586.db2.gz BZVBDQMVVYOPAC-KBPBESRZSA-N 1 1 307.325 2.043 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000874850384 689518972 /nfs/dbraw/zinc/51/89/72/689518972.db2.gz RTIIYEWBHKPSLC-HKFHSAMXSA-N 1 1 315.373 2.303 20 5 DEBDMO CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001035144420 690036271 /nfs/dbraw/zinc/03/62/71/690036271.db2.gz YHYFMMXYIJMAMC-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO CCCn1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)nn1 ZINC000877505411 690134384 /nfs/dbraw/zinc/13/43/84/690134384.db2.gz UEYCIEOVRPWAQS-UHFFFAOYSA-N 1 1 303.366 2.271 20 5 DEBDMO CCCn1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)nn1 ZINC000877505411 690134386 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2.381 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](OC)CC[C@H]2C)c1 ZINC000879324048 690620035 /nfs/dbraw/zinc/62/00/35/690620035.db2.gz BMZULVHPHHJVPQ-BXUZGUMPSA-N 1 1 322.361 2.381 20 5 DEBDMO NC(=O)[C@H](C1CC1)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000879485782 690651363 /nfs/dbraw/zinc/65/13/63/690651363.db2.gz HMMNMXFGHJTCLI-HNNXBMFYSA-N 1 1 321.352 2.210 20 5 DEBDMO NC(=O)[C@H](C1CC1)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000879485782 690651366 /nfs/dbraw/zinc/65/13/66/690651366.db2.gz HMMNMXFGHJTCLI-HNNXBMFYSA-N 1 1 321.352 2.210 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880146297 690822552 /nfs/dbraw/zinc/82/25/52/690822552.db2.gz SXFRSKAIPRRCBU-NWDGAFQWSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880146297 690822556 /nfs/dbraw/zinc/82/25/56/690822556.db2.gz SXFRSKAIPRRCBU-NWDGAFQWSA-N 1 1 321.377 2.015 20 5 DEBDMO O=C1CC2(CCC2)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCN1 ZINC000880169456 690828820 /nfs/dbraw/zinc/82/88/20/690828820.db2.gz BFAOMCGLVUDGJW-UHFFFAOYSA-N 1 1 323.780 2.493 20 5 DEBDMO O=C1CC2(CCC2)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCN1 ZINC000880169456 690828823 /nfs/dbraw/zinc/82/88/23/690828823.db2.gz BFAOMCGLVUDGJW-UHFFFAOYSA-N 1 1 323.780 2.493 20 5 DEBDMO Cn1cc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000880579098 690931718 /nfs/dbraw/zinc/93/17/18/690931718.db2.gz YBWSNPQCKGPNAH-CQSZACIVSA-N 1 1 322.409 2.357 20 5 DEBDMO Cc1c(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000880588854 690935317 /nfs/dbraw/zinc/93/53/17/690935317.db2.gz HOYHPWZHQTXTPA-OAHLLOKOSA-N 1 1 320.389 2.267 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000881440247 691098637 /nfs/dbraw/zinc/09/86/37/691098637.db2.gz XAUUMWURSFLFTF-DGCLKSJQSA-N 1 1 323.780 2.414 20 5 DEBDMO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000882483708 691292541 /nfs/dbraw/zinc/29/25/41/691292541.db2.gz ISZHQZCQXDUCJX-GFCCVEGCSA-N 1 1 303.318 2.165 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000882483708 691292544 /nfs/dbraw/zinc/29/25/44/691292544.db2.gz ISZHQZCQXDUCJX-GFCCVEGCSA-N 1 1 303.318 2.165 20 5 DEBDMO Cc1cc(C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)n[nH]1 ZINC000886102956 692004141 /nfs/dbraw/zinc/00/41/41/692004141.db2.gz VOWKNKJBTRFRPU-UHFFFAOYSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1cc(C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)[nH]n1 ZINC000886102956 692004144 /nfs/dbraw/zinc/00/41/44/692004144.db2.gz VOWKNKJBTRFRPU-UHFFFAOYSA-N 1 1 301.350 2.401 20 5 DEBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886145351 692011702 /nfs/dbraw/zinc/01/17/02/692011702.db2.gz VVHGPBNYVYIXOR-KRWDZBQOSA-N 1 1 324.340 2.086 20 5 DEBDMO CCOc1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000931902198 694501371 /nfs/dbraw/zinc/50/13/71/694501371.db2.gz GCBGZMYPEAWRLT-JQWIXIFHSA-N 1 1 322.365 2.208 20 5 DEBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000886589336 692120564 /nfs/dbraw/zinc/12/05/64/692120564.db2.gz RCFGXVQAPLXTLA-MRXNPFEDSA-N 1 1 319.405 2.326 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)c1 ZINC000886625257 692137093 /nfs/dbraw/zinc/13/70/93/692137093.db2.gz LYTOQZBIKCYLEG-HZPDHXFCSA-N 1 1 306.362 2.211 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886624842 692137157 /nfs/dbraw/zinc/13/71/57/692137157.db2.gz BBMAXIMVNNJCIL-HZPDHXFCSA-N 1 1 306.362 2.211 20 5 DEBDMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000887398854 692354463 /nfs/dbraw/zinc/35/44/63/692354463.db2.gz IQIKTQSMSFVCOY-LLVKDONJSA-N 1 1 302.334 2.020 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932354823 694600573 /nfs/dbraw/zinc/60/05/73/694600573.db2.gz YMAQJSRLERPCTL-HOTGVXAUSA-N 1 1 317.389 2.253 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc4nonc4c3[N+](=O)[O-])CC[C@@H]21 ZINC001333709186 1150082319 /nfs/dbraw/zinc/08/23/19/1150082319.db2.gz BKDKXDWIOVMSCA-PWSUYJOCSA-N 1 1 317.349 2.052 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001347484908 1151071744 /nfs/dbraw/zinc/07/17/44/1151071744.db2.gz UZLDPEFPKJELNU-LLVKDONJSA-N 1 1 324.381 2.455 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001164640634 719176684 /nfs/dbraw/zinc/17/66/84/719176684.db2.gz UWLRYAFDYUJCBU-RNFRBKRXSA-N 1 1 320.180 2.220 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001164640634 719176686 /nfs/dbraw/zinc/17/66/86/719176686.db2.gz UWLRYAFDYUJCBU-RNFRBKRXSA-N 1 1 320.180 2.220 20 5 DEBDMO Cc1nc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)ccc1[N+](=O)[O-] ZINC001164767186 721279605 /nfs/dbraw/zinc/27/96/05/721279605.db2.gz HNLJCESYZZIFCZ-UHFFFAOYSA-N 1 1 302.378 2.220 20 5 DEBDMO Cc1[nH+]c(N)ccc1CNc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001167786184 778567162 /nfs/dbraw/zinc/56/71/62/778567162.db2.gz KFWZDUWHTQULHA-UHFFFAOYSA-N 1 1 310.317 2.436 20 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/nfs/dbraw/zinc/01/21/14/785012114.db2.gz MUDNGUICZBLLLS-LRDDRELGSA-N 1 1 318.373 2.277 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3nc(C4CC4)ncc3C2)C1 ZINC001169038689 785012862 /nfs/dbraw/zinc/01/28/62/785012862.db2.gz KFIZFJJVIHETBY-BXUZGUMPSA-N 1 1 302.378 2.158 20 5 DEBDMO C[N@@H+](CCCC(=O)c1cccnc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038011 785013124 /nfs/dbraw/zinc/01/31/24/785013124.db2.gz VACHGLWENROOTI-ZFWWWQNUSA-N 1 1 305.378 2.422 20 5 DEBDMO Cc1ccc2c(n1)N(C)CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018925 785016810 /nfs/dbraw/zinc/01/68/10/785016810.db2.gz DOCBECCNLUUVCL-HIFRSBDPSA-N 1 1 304.394 2.087 20 5 DEBDMO COC(=O)c1ccc2c(c1)C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169046875 785020021 /nfs/dbraw/zinc/02/00/21/785020021.db2.gz OBOCITXRFKBNGT-NHYWBVRUSA-N 1 1 304.346 2.234 20 5 DEBDMO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047448 785022276 /nfs/dbraw/zinc/02/22/76/785022276.db2.gz RABUQNOTMOEFEC-MELADBBJSA-N 1 1 312.410 2.486 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051944 785023447 /nfs/dbraw/zinc/02/34/47/785023447.db2.gz DPJGTFKWUHYOOT-WCVJEAGWSA-N 1 1 313.417 2.330 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051944 785023450 /nfs/dbraw/zinc/02/34/50/785023450.db2.gz DPJGTFKWUHYOOT-WCVJEAGWSA-N 1 1 313.417 2.330 20 5 DEBDMO [NH3+]Cc1cccc2c1cnn2-c1ccc2[nH]cnc2c1[N+](=O)[O-] ZINC001169193636 785081886 /nfs/dbraw/zinc/08/18/86/785081886.db2.gz ZSVFLTBEAIFDCP-UHFFFAOYSA-N 1 1 308.301 2.269 20 5 DEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(NCc2ccc(N)[nH+]c2C)n1 ZINC001156975069 786115686 /nfs/dbraw/zinc/11/56/86/786115686.db2.gz YKBBQZPWHHZDEZ-UHFFFAOYSA-N 1 1 308.729 2.244 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170355153 786917915 /nfs/dbraw/zinc/91/79/15/786917915.db2.gz VZZGNNBOTLWZMV-FZMZJTMJSA-N 1 1 306.362 2.445 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC001170351545 786931582 /nfs/dbraw/zinc/93/15/82/786931582.db2.gz CXNYRNQMVNDUMD-WBMJQRKESA-N 1 1 306.362 2.399 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170348505 786931975 /nfs/dbraw/zinc/93/19/75/786931975.db2.gz XVAUXWHSDQVLFF-BLLLJJGKSA-N 1 1 308.378 2.381 20 5 DEBDMO COC(=O)C[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750050397 791967802 /nfs/dbraw/zinc/96/78/02/791967802.db2.gz AEUHSVXSOBVYBL-HIFRSBDPSA-N 1 1 322.361 2.046 20 5 DEBDMO CC[N@@H+](C)CCC(=O)N(C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC001101756648 793362044 /nfs/dbraw/zinc/36/20/44/793362044.db2.gz HJIKUVNQULCEAF-UHFFFAOYSA-N 1 1 322.409 2.115 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC3(COC3)C2)c1F ZINC001173183195 793622225 /nfs/dbraw/zinc/62/22/25/793622225.db2.gz XAVJFPFXQSAHFS-NSHDSACASA-N 1 1 324.352 2.396 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cocn2)c1F ZINC001173190598 793623207 /nfs/dbraw/zinc/62/32/07/793623207.db2.gz ZIOMJMWHRIJHIS-VIFPVBQESA-N 1 1 309.297 2.451 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2nccn2CC1 ZINC001173232440 793644729 /nfs/dbraw/zinc/64/47/29/793644729.db2.gz GINBANSUJFURQG-ZDUSSCGKSA-N 1 1 300.362 2.281 20 5 DEBDMO O=C(NCCCCCC[NH2+]CC1=CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001178458371 794929188 /nfs/dbraw/zinc/92/91/88/794929188.db2.gz DKQBUAGGCRECSG-HZPDHXFCSA-N 1 1 323.437 2.418 20 5 DEBDMO CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178464205 794930150 /nfs/dbraw/zinc/93/01/50/794930150.db2.gz QIYQQIMFCSTLRD-HUUCEWRRSA-N 1 1 313.442 2.498 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2CN2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC001115921766 794932418 /nfs/dbraw/zinc/93/24/18/794932418.db2.gz RCZTZLMRRBCNMK-HNNXBMFYSA-N 1 1 315.377 2.072 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001116729067 794981153 /nfs/dbraw/zinc/98/11/53/794981153.db2.gz ITDRRMFJILKSFS-BETUJISGSA-N 1 1 322.409 2.020 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001116729067 794981163 /nfs/dbraw/zinc/98/11/63/794981163.db2.gz ITDRRMFJILKSFS-BETUJISGSA-N 1 1 322.409 2.020 20 5 DEBDMO O=[N+]([O-])c1c2nonc2ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001120014964 795390987 /nfs/dbraw/zinc/39/09/87/795390987.db2.gz QONWJCJTSILINQ-NXEZZACHSA-N 1 1 303.322 2.170 20 5 DEBDMO CC1(C)CC[N@@H+](CCNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC001187863165 796591600 /nfs/dbraw/zinc/59/16/00/796591600.db2.gz XBXZASYRVOMJBU-UHFFFAOYSA-N 1 1 303.366 2.386 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001156377774 797987954 /nfs/dbraw/zinc/98/79/54/797987954.db2.gz FFERHWVQIKINIU-JTQLQIEISA-N 1 1 309.326 2.042 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@H]21 ZINC001157270189 798174569 /nfs/dbraw/zinc/17/45/69/798174569.db2.gz DFFNBQBKTWXVER-GXFFZTMASA-N 1 1 301.350 2.002 20 5 DEBDMO Cn1cc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)nn1 ZINC001198624148 798376492 /nfs/dbraw/zinc/37/64/92/798376492.db2.gz VVZOUNSDTNSFMW-LLVKDONJSA-N 1 1 319.340 2.242 20 5 DEBDMO Cn1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)nn1 ZINC001198624148 798376499 /nfs/dbraw/zinc/37/64/99/798376499.db2.gz VVZOUNSDTNSFMW-LLVKDONJSA-N 1 1 319.340 2.242 20 5 DEBDMO CC[N@H+]1CCN(c2nc(C)nc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC001158563162 798429442 /nfs/dbraw/zinc/42/94/42/798429442.db2.gz ZZDDVSANMBNTPO-UHFFFAOYSA-N 1 1 313.789 2.267 20 5 DEBDMO COc1nc(C)c([N+](=O)[O-])c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001160469253 798692873 /nfs/dbraw/zinc/69/28/73/798692873.db2.gz ULXGGXXVQHTBPK-CNDDSTCGSA-N 1 1 321.381 2.129 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(NCCC[NH+]2CCN(C)CC2)c1F ZINC001161711375 798920019 /nfs/dbraw/zinc/92/00/19/798920019.db2.gz ZVDRMSSMNWOTIK-UHFFFAOYSA-N 1 1 310.373 2.092 20 5 DEBDMO Cn1cc([N+](=O)[O-])c(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1 ZINC001162658770 799141033 /nfs/dbraw/zinc/14/10/33/799141033.db2.gz AIDKXWNKCMQQFJ-AWEZNQCLSA-N 1 1 315.377 2.039 20 5 DEBDMO Cc1ccc2c(ccnc2NC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001162682947 799145835 /nfs/dbraw/zinc/14/58/35/799145835.db2.gz LSTLOUWRXOVIJK-GFCCVEGCSA-N 1 1 316.361 2.194 20 5 DEBDMO Cc1ccc2c(ccnc2NC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001162682947 799145839 /nfs/dbraw/zinc/14/58/39/799145839.db2.gz LSTLOUWRXOVIJK-GFCCVEGCSA-N 1 1 316.361 2.194 20 5 DEBDMO CC(C)(C)[C@H](C[NH+]1CCOCC1)Nc1cccc([N+](=O)[O-])n1 ZINC001162878078 799194344 /nfs/dbraw/zinc/19/43/44/799194344.db2.gz ZRYHVXAAYCUOOF-LBPRGKRZSA-N 1 1 308.382 2.149 20 5 DEBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001163366319 799323640 /nfs/dbraw/zinc/32/36/40/799323640.db2.gz UMODYFOPBANSDS-DGCLKSJQSA-N 1 1 308.382 2.067 20 5 DEBDMO CCCn1cncc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001203374228 800040676 /nfs/dbraw/zinc/04/06/76/800040676.db2.gz WLGNQYGCXQJNEI-INIZCTEOSA-N 1 1 318.377 2.199 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000933490770 800109564 /nfs/dbraw/zinc/10/95/64/800109564.db2.gz FVBCDGWZWUJJPI-UIBBOPPKSA-N 1 1 317.389 2.297 20 5 DEBDMO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000934118335 800266452 /nfs/dbraw/zinc/26/64/52/800266452.db2.gz IAFYDEWKZKVWMR-OLZOCXBDSA-N 1 1 318.333 2.254 20 5 DEBDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000934118335 800266453 /nfs/dbraw/zinc/26/64/53/800266453.db2.gz IAFYDEWKZKVWMR-OLZOCXBDSA-N 1 1 318.333 2.254 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000935088897 800556172 /nfs/dbraw/zinc/55/61/72/800556172.db2.gz HFMNPQRFPPGYNE-GHMZBOCLSA-N 1 1 323.418 2.481 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000935212674 800596593 /nfs/dbraw/zinc/59/65/93/800596593.db2.gz GVBHDXSNHPIHFT-VXGBXAGGSA-N 1 1 323.368 2.218 20 5 DEBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(F)c([N+](=O)[O-])c(F)c3)[C@H]1CC(=O)C2 ZINC001233746550 802196356 /nfs/dbraw/zinc/19/63/56/802196356.db2.gz BQSCOGBSTXVXIF-HAGUPOPPSA-N 1 1 312.272 2.056 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(F)c([N+](=O)[O-])c(F)c3)[C@H]1CC(=O)C2 ZINC001233746550 802196358 /nfs/dbraw/zinc/19/63/58/802196358.db2.gz BQSCOGBSTXVXIF-HAGUPOPPSA-N 1 1 312.272 2.056 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(CO[C@@H]3CCc4[nH+]ccn4C3)nc2c1 ZINC001222932396 802750062 /nfs/dbraw/zinc/75/00/62/802750062.db2.gz TUZDGVZBINXQAT-LLVKDONJSA-N 1 1 314.301 2.464 20 5 DEBDMO Cc1cnc(CO[C@H]2CCc3[nH+]ccn3C2)c(C)c1[N+](=O)[O-] ZINC001224185680 802845942 /nfs/dbraw/zinc/84/59/42/802845942.db2.gz MDQCPSIVKXPPGI-LBPRGKRZSA-N 1 1 302.334 2.335 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224986680 802924148 /nfs/dbraw/zinc/92/41/48/802924148.db2.gz IYRMXKIGSWARPC-HNNXBMFYSA-N 1 1 322.361 2.137 20 5 DEBDMO CC[N@H+]1CCC[C@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224989344 802924951 /nfs/dbraw/zinc/92/49/51/802924951.db2.gz MLPUQJGHAQHSKU-HNNXBMFYSA-N 1 1 322.361 2.139 20 5 DEBDMO CC(=O)c1ccc(O[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001226294885 803084726 /nfs/dbraw/zinc/08/47/26/803084726.db2.gz NFVGCCKRPWJQRQ-LBPRGKRZSA-N 1 1 301.302 2.388 20 5 DEBDMO C[N@H+]1CCC[C@@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226804843 803163231 /nfs/dbraw/zinc/16/32/31/803163231.db2.gz SXGHXLMQOQRZMY-SECBINFHSA-N 1 1 306.297 2.150 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227111342 803203384 /nfs/dbraw/zinc/20/33/84/803203384.db2.gz KMBYNURWPYDUQL-NSHDSACASA-N 1 1 310.310 2.150 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001228571755 803375822 /nfs/dbraw/zinc/37/58/22/803375822.db2.gz SKQKMVYTZQWCNH-NILFDRSVSA-N 1 1 304.346 2.395 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001228571755 803375823 /nfs/dbraw/zinc/37/58/23/803375823.db2.gz SKQKMVYTZQWCNH-NILFDRSVSA-N 1 1 304.346 2.395 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001228571754 803376592 /nfs/dbraw/zinc/37/65/92/803376592.db2.gz SKQKMVYTZQWCNH-GLQYFDAESA-N 1 1 304.346 2.395 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001228571754 803376596 /nfs/dbraw/zinc/37/65/96/803376596.db2.gz SKQKMVYTZQWCNH-GLQYFDAESA-N 1 1 304.346 2.395 20 5 DEBDMO C[C@@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@@H]1C ZINC001603909870 1070145899 /nfs/dbraw/zinc/14/58/99/1070145899.db2.gz FJEUFWIINARWED-MNOVXSKESA-N 1 1 316.365 2.253 20 5 DEBDMO CC[C@H](C)[N@@H+](CC)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604007636 1070174423 /nfs/dbraw/zinc/17/44/23/1070174423.db2.gz PUSZOBFBNGZCDT-JTQLQIEISA-N 1 1 304.354 2.395 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001467529358 1059647832 /nfs/dbraw/zinc/64/78/32/1059647832.db2.gz NGDCQSDLHZYKRT-ZDUSSCGKSA-N 1 1 306.366 2.461 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(=O)NC1CCCC1 ZINC001473985763 1060789394 /nfs/dbraw/zinc/78/93/94/1060789394.db2.gz RYCPCYCURRSSNH-UHFFFAOYSA-N 1 1 321.377 2.142 20 5 DEBDMO C/C=C(/C)C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001494541127 1064307305 /nfs/dbraw/zinc/30/73/05/1064307305.db2.gz KWCRZQNMRHYXPA-BASWHVEKSA-N 1 1 303.362 2.109 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2nn(C)cc2[N+](=O)[O-])C1 ZINC001611805661 1078105858 /nfs/dbraw/zinc/10/58/58/1078105858.db2.gz FFKKOEVZDUPPNQ-BETUJISGSA-N 1 1 309.414 2.498 20 5 DEBDMO O=c1c(F)cc([N+](=O)[O-])cn1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC001614553027 1078123753 /nfs/dbraw/zinc/12/37/53/1078123753.db2.gz NYGASBMYCDYQJI-UHFFFAOYSA-N 1 1 322.683 2.245 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001632260350 1078381082 /nfs/dbraw/zinc/38/10/82/1078381082.db2.gz MXAFEOOQWPJAPZ-LBPRGKRZSA-N 1 1 317.349 2.282 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001632260350 1078381085 /nfs/dbraw/zinc/38/10/85/1078381085.db2.gz MXAFEOOQWPJAPZ-LBPRGKRZSA-N 1 1 317.349 2.282 20 5 DEBDMO CCN(CC1CCC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577704184 1066910342 /nfs/dbraw/zinc/91/03/42/1066910342.db2.gz GAFICLMDFANUGB-INIZCTEOSA-N 1 1 305.378 2.417 20 5 DEBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001635066255 1078443270 /nfs/dbraw/zinc/44/32/70/1078443270.db2.gz YZMXVVXHCQTUBL-CQSZACIVSA-N 1 1 323.368 2.030 20 5 DEBDMO CC[N@@H+](CCNC(=O)C1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001267234482 1078685981 /nfs/dbraw/zinc/68/59/81/1078685981.db2.gz LMEDOWYRHQLPOV-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001644454714 1078846810 /nfs/dbraw/zinc/84/68/10/1078846810.db2.gz DKPZBLDEWGLTLJ-UHFFFAOYSA-N 1 1 316.361 2.021 20 5 DEBDMO C/C=C(\C)C(=O)NCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC001480970588 1079014826 /nfs/dbraw/zinc/01/48/26/1079014826.db2.gz VFHMPVAKSKUTLR-YIXHJXPBSA-N 1 1 305.378 2.499 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1[nH]c(C)[nH+]c1C ZINC001646074663 1079095998 /nfs/dbraw/zinc/09/59/98/1079095998.db2.gz OASYHFKQUCVQLB-UHFFFAOYSA-N 1 1 318.333 2.263 20 5 DEBDMO CCC[N@@H+](CCNC(=O)C(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001481128205 1079228307 /nfs/dbraw/zinc/22/83/07/1079228307.db2.gz JUQNZGSCLNUCTB-UHFFFAOYSA-N 1 1 315.320 2.188 20 5 DEBDMO Cc1c(CC(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001556122605 1075018729 /nfs/dbraw/zinc/01/87/29/1075018729.db2.gz PJMHETJBQLQUQP-HNNXBMFYSA-N 1 1 319.405 2.435 20 5 DEBDMO C[N@@H+](CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-])C1CC1 ZINC001559082182 1075112567 /nfs/dbraw/zinc/11/25/67/1075112567.db2.gz DQHISKYWFOLMDX-UHFFFAOYSA-N 1 1 304.325 2.210 20 5 DEBDMO O=[N+]([O-])c1ccc2ncnc(NCc3c[nH+]c4n3CCC4)c2c1 ZINC001559280408 1075118318 /nfs/dbraw/zinc/11/83/18/1075118318.db2.gz FICWGLANJCYRPD-UHFFFAOYSA-N 1 1 310.317 2.293 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@]2(CCOC2=O)C1 ZINC001561052879 1075150574 /nfs/dbraw/zinc/15/05/74/1075150574.db2.gz NSVWVYQIOLPJSU-MRXNPFEDSA-N 1 1 304.346 2.351 20 5 DEBDMO C[C@H]1CCCC[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590256304 1076601801 /nfs/dbraw/zinc/60/18/01/1076601801.db2.gz BCKXRXSTIDUZGN-JTQLQIEISA-N 1 1 302.338 2.149 20 5 DEBDMO C[N@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001651366300 1079805531 /nfs/dbraw/zinc/80/55/31/1079805531.db2.gz BBHSLHRYSDEBIG-GFCCVEGCSA-N 1 1 317.393 2.409 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C(C)(C)C1 ZINC001652602332 1079886426 /nfs/dbraw/zinc/88/64/26/1079886426.db2.gz CLRBGOVTHUOVNN-CQSZACIVSA-N 1 1 305.378 2.363 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001654958667 1079983059 /nfs/dbraw/zinc/98/30/59/1079983059.db2.gz CQPARRRUSCIPDU-HOCLYGCPSA-N 1 1 317.389 2.267 20 5 DEBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)OCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001655119652 1079986836 /nfs/dbraw/zinc/98/68/36/1079986836.db2.gz BSIRHWKTOWYLIX-CHWSQXEVSA-N 1 1 324.377 2.482 20 5 DEBDMO Cc1noc([C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC001655159179 1079988392 /nfs/dbraw/zinc/98/83/92/1079988392.db2.gz PBPOTMKBYLYLBW-KBPBESRZSA-N 1 1 320.349 2.307 20 5 DEBDMO COc1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC001658175764 1080200889 /nfs/dbraw/zinc/20/08/89/1080200889.db2.gz QFYYDXZMKIQENY-MELADBBJSA-N 1 1 305.378 2.033 20 5 DEBDMO CCCn1cncc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001659658852 1080246337 /nfs/dbraw/zinc/24/63/37/1080246337.db2.gz SOTGJRDZXUAJHF-UHFFFAOYSA-N 1 1 318.381 2.235 20 5 DEBDMO Cc1nnc2n1CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001660725642 1080387047 /nfs/dbraw/zinc/38/70/47/1080387047.db2.gz FEQWPTGUBITNQU-NSHDSACASA-N 1 1 301.350 2.114 20 5 DEBDMO Cc1nnc2n1CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001660725642 1080387052 /nfs/dbraw/zinc/38/70/52/1080387052.db2.gz FEQWPTGUBITNQU-NSHDSACASA-N 1 1 301.350 2.114 20 5 DEBDMO CCC[N@@H+](C)CC(=O)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107279691 1080705956 /nfs/dbraw/zinc/70/59/56/1080705956.db2.gz AHMITTLPQNKFCS-SREVYHEPSA-N 1 1 320.393 2.021 20 5 DEBDMO CC(C)=CC(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001665248721 1081005191 /nfs/dbraw/zinc/00/51/91/1081005191.db2.gz CFCKVEKVFQZYMA-UHFFFAOYSA-N 1 1 303.362 2.109 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC001669070971 1081425641 /nfs/dbraw/zinc/42/56/41/1081425641.db2.gz JSRQYCSZBDAIKG-LBPRGKRZSA-N 1 1 306.366 2.461 20 5 DEBDMO Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC001266253307 1081918751 /nfs/dbraw/zinc/91/87/51/1081918751.db2.gz UMNZORVXMXVXQP-UHFFFAOYSA-N 1 1 317.345 2.358 20 5 DEBDMO Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC001266253307 1081918757 /nfs/dbraw/zinc/91/87/57/1081918757.db2.gz UMNZORVXMXVXQP-UHFFFAOYSA-N 1 1 317.345 2.358 20 5 DEBDMO Cc1c(Br)c(O[C@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001231092296 1090637700 /nfs/dbraw/zinc/63/77/00/1090637700.db2.gz FQQVBFTZKKYKHO-QMMMGPOBSA-N 1 1 316.155 2.144 20 5 DEBDMO Cc1c(Br)c(O[C@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001231092296 1090637709 /nfs/dbraw/zinc/63/77/09/1090637709.db2.gz FQQVBFTZKKYKHO-QMMMGPOBSA-N 1 1 316.155 2.144 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC001292799628 1138867112 /nfs/dbraw/zinc/86/71/12/1138867112.db2.gz KHPCGOVTCDAKEO-LBPRGKRZSA-N 1 1 323.393 2.454 20 5 DEBDMO COC(=O)N1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001319417546 1140568611 /nfs/dbraw/zinc/56/86/11/1140568611.db2.gz ZGDUQNRRVRMLBP-LBPRGKRZSA-N 1 1 307.350 2.430 20 5 DEBDMO COC(=O)N1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001319417546 1140568616 /nfs/dbraw/zinc/56/86/16/1140568616.db2.gz ZGDUQNRRVRMLBP-LBPRGKRZSA-N 1 1 307.350 2.430 20 5 DEBDMO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@H](C)NC2)c([N+](=O)[O-])c1 ZINC001246087020 1140858918 /nfs/dbraw/zinc/85/89/18/1140858918.db2.gz XWKFDORIJQYOGO-SCRDCRAPSA-N 1 1 307.394 2.265 20 5 DEBDMO O=C(Oc1cccc([N+](=O)[O-])c1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001320789770 1140924522 /nfs/dbraw/zinc/92/45/22/1140924522.db2.gz DTSNXVLBRUPFRP-UHFFFAOYSA-N 1 1 310.269 2.395 20 5 DEBDMO [NH3+][C@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C1CCCC1 ZINC001248210152 1141727843 /nfs/dbraw/zinc/72/78/43/1141727843.db2.gz BRPQAYCOZBNKMG-JTQLQIEISA-N 1 1 307.285 2.369 20 5 DEBDMO CC[N@H+]1CCC[C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001248273104 1141754602 /nfs/dbraw/zinc/75/46/02/1141754602.db2.gz JBMKPSPEHZQVIY-SECBINFHSA-N 1 1 321.312 2.378 20 5 DEBDMO CN(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001336846903 1142595101 /nfs/dbraw/zinc/59/51/01/1142595101.db2.gz ZTXSCGKPJXBBHD-BZUAXINKSA-N 1 1 319.405 2.091 20 5 DEBDMO CCc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001337534796 1142765393 /nfs/dbraw/zinc/76/53/93/1142765393.db2.gz JLXCARCFFBPYLD-AWEZNQCLSA-N 1 1 305.378 2.371 20 5 DEBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001338046752 1142822610 /nfs/dbraw/zinc/82/26/10/1142822610.db2.gz UCPZHXFEUMHROL-CXOKCQFOSA-N 1 1 315.373 2.305 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@H]4CC[C@@H]3CO4)CC2)cc1 ZINC001254481902 1143134380 /nfs/dbraw/zinc/13/43/80/1143134380.db2.gz FTHJXIFDVREGJY-IAGOWNOFSA-N 1 1 317.389 2.427 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@@H]3OCC(F)(F)[C@@H]3C1)C2 ZINC001254593213 1143272765 /nfs/dbraw/zinc/27/27/65/1143272765.db2.gz JZCOFJMXLDDHAL-MJBXVCDLSA-N 1 1 310.300 2.028 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@](O)(CF)CC1)C2 ZINC001254600735 1143274626 /nfs/dbraw/zinc/27/46/26/1143274626.db2.gz VHTXVUCBYCITQC-HZPDHXFCSA-N 1 1 308.353 2.249 20 5 DEBDMO C[N@@H+]1C[C@H]2[C@H](C1)CCCN2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603826 1143277157 /nfs/dbraw/zinc/27/71/57/1143277157.db2.gz RBBJLKCADBLDGN-JQFCIGGWSA-N 1 1 301.390 2.088 20 5 DEBDMO CN1C[C@H]2[C@H](C1)CCC[N@@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603826 1143277164 /nfs/dbraw/zinc/27/71/64/1143277164.db2.gz RBBJLKCADBLDGN-JQFCIGGWSA-N 1 1 301.390 2.088 20 5 DEBDMO CN1C[C@H]2[C@H](C1)CCC[N@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603826 1143277172 /nfs/dbraw/zinc/27/71/72/1143277172.db2.gz RBBJLKCADBLDGN-JQFCIGGWSA-N 1 1 301.390 2.088 20 5 DEBDMO COC(=O)[C@]1(C)CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602064 1143277654 /nfs/dbraw/zinc/27/76/54/1143277654.db2.gz AFNMKPDLMXTCMN-DOTOQJQBSA-N 1 1 318.373 2.337 20 5 DEBDMO COC(=O)C[C@@H]1CCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604911 1143279093 /nfs/dbraw/zinc/27/90/93/1143279093.db2.gz YPGVQSKGFOFVNC-DZGCQCFKSA-N 1 1 304.346 2.090 20 5 DEBDMO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611435 1143282566 /nfs/dbraw/zinc/28/25/66/1143282566.db2.gz XOOZSOZDPLUVIV-XTBFLFJDSA-N 1 1 316.357 2.088 20 5 DEBDMO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611435 1143282581 /nfs/dbraw/zinc/28/25/81/1143282581.db2.gz XOOZSOZDPLUVIV-XTBFLFJDSA-N 1 1 316.357 2.088 20 5 DEBDMO Cc1c(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC001342012276 1143769519 /nfs/dbraw/zinc/76/95/19/1143769519.db2.gz SZMNMSUPDKCDQT-AWEZNQCLSA-N 1 1 320.393 2.187 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2C)c1C ZINC001262652266 1144324845 /nfs/dbraw/zinc/32/48/45/1144324845.db2.gz BFKRMXISQLLQTE-CYBMUJFWSA-N 1 1 305.378 2.426 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(c3c4cc(F)ccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC001307121875 1147398818 /nfs/dbraw/zinc/39/88/18/1147398818.db2.gz CLBQVBGATAZBEL-BMIGLBTASA-N 1 1 316.336 2.422 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@@H](c3ccccc3)CC2)n1 ZINC001308158155 1147449566 /nfs/dbraw/zinc/44/95/66/1147449566.db2.gz UKYJZZZQBKTDGU-OAHLLOKOSA-N 1 1 316.361 2.255 20 5 DEBDMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000278443838 214155741 /nfs/dbraw/zinc/15/57/41/214155741.db2.gz MBBAKMNYWXYXST-NHYWBVRUSA-N 1 1 303.362 2.399 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000278721238 214352600 /nfs/dbraw/zinc/35/26/00/214352600.db2.gz POSOJZLDJKIQDM-NEPJUHHUSA-N 1 1 315.377 2.188 20 5 DEBDMO C[NH+](C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000047649036 282171853 /nfs/dbraw/zinc/17/18/53/282171853.db2.gz JZKBSMPBWUGAET-AWEZNQCLSA-N 1 1 317.345 2.149 20 5 DEBDMO CC1(C)[C@@H]2C[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000172955534 282183191 /nfs/dbraw/zinc/18/31/91/282183191.db2.gz FUGGQAGJZXZPLS-OKILXGFUSA-N 1 1 315.373 2.072 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)cc1[N+](=O)[O-] ZINC000092660172 185332098 /nfs/dbraw/zinc/33/20/98/185332098.db2.gz FYHPDUZQVABWDG-CYBMUJFWSA-N 1 1 305.378 2.381 20 5 DEBDMO C[C@H]1CN(C)c2ccccc2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000083248311 192368452 /nfs/dbraw/zinc/36/84/52/192368452.db2.gz AWWSFMAIUAZPHG-ZDUSSCGKSA-N 1 1 315.377 2.132 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnnn1C1CC1 ZINC000615724189 362691989 /nfs/dbraw/zinc/69/19/89/362691989.db2.gz PXRJAWGDYOYPGZ-XFFZJAGNSA-N 1 1 314.349 2.109 20 5 DEBDMO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272649204 210052568 /nfs/dbraw/zinc/05/25/68/210052568.db2.gz YXONRTYAXYXWAJ-UHFFFAOYSA-N 1 1 321.377 2.293 20 5 DEBDMO C[C@H](NC(=O)NCC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000264860316 299154608 /nfs/dbraw/zinc/15/46/08/299154608.db2.gz NKGWTJLMRRYRGU-NSHDSACASA-N 1 1 306.366 2.049 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000141964533 186031554 /nfs/dbraw/zinc/03/15/54/186031554.db2.gz CFSLMHOMAWHDHW-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000141964533 186031556 /nfs/dbraw/zinc/03/15/56/186031556.db2.gz CFSLMHOMAWHDHW-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000331404106 233331993 /nfs/dbraw/zinc/33/19/93/233331993.db2.gz HZQZZVDPCAWJGT-AWEZNQCLSA-N 1 1 305.378 2.361 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265988685 186350384 /nfs/dbraw/zinc/35/03/84/186350384.db2.gz MESIMUFSFZTUQS-CQSZACIVSA-N 1 1 305.378 2.083 20 5 DEBDMO CCOc1cc(C[N@H+](CC(N)=O)C2CCCC2)ccc1[N+](=O)[O-] ZINC000617196471 363051113 /nfs/dbraw/zinc/05/11/13/363051113.db2.gz VEBXVBSRPQVPPH-UHFFFAOYSA-N 1 1 321.377 2.223 20 5 DEBDMO CCOc1cc(C[N@@H+](CC(N)=O)C2CCCC2)ccc1[N+](=O)[O-] ZINC000617196471 363051119 /nfs/dbraw/zinc/05/11/19/363051119.db2.gz VEBXVBSRPQVPPH-UHFFFAOYSA-N 1 1 321.377 2.223 20 5 DEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173154325 198189440 /nfs/dbraw/zinc/18/94/40/198189440.db2.gz BVCFIMQWLWPXTP-GFCCVEGCSA-N 1 1 316.361 2.474 20 5 DEBDMO COCCOC[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000174112614 198293209 /nfs/dbraw/zinc/29/32/09/198293209.db2.gz WLIDKUHAJSWJNP-CYBMUJFWSA-N 1 1 324.377 2.088 20 5 DEBDMO CCC[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174654978 198365901 /nfs/dbraw/zinc/36/59/01/198365901.db2.gz AUWIIHBZALUNGE-MRXNPFEDSA-N 1 1 318.377 2.064 20 5 DEBDMO C[N@H+](Cc1ccco1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000030276791 354122837 /nfs/dbraw/zinc/12/28/37/354122837.db2.gz PIEKYQJEGZEDIZ-CYBMUJFWSA-N 1 1 306.318 2.060 20 5 DEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000051043204 354378865 /nfs/dbraw/zinc/37/88/65/354378865.db2.gz VYORBNZBNCKBAT-CQSZACIVSA-N 1 1 305.378 2.333 20 5 DEBDMO C[N@@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000053348728 354430022 /nfs/dbraw/zinc/43/00/22/354430022.db2.gz XARUEVJLMKVLJX-UHFFFAOYSA-N 1 1 313.357 2.457 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000063490242 354647448 /nfs/dbraw/zinc/64/74/48/354647448.db2.gz BNBZDPMHYNRRJD-LFAOLKIESA-N 1 1 317.389 2.455 20 5 DEBDMO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000068127353 354798540 /nfs/dbraw/zinc/79/85/40/354798540.db2.gz QZHLUPKGIZLKSQ-CQSZACIVSA-N 1 1 308.382 2.149 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000068935841 354840693 /nfs/dbraw/zinc/84/06/93/354840693.db2.gz DZNBZBIYDHHELB-NPQIQWPPSA-N 1 1 317.389 2.455 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076799267 355169012 /nfs/dbraw/zinc/16/90/12/355169012.db2.gz FKXMYDZJVOZNFT-TXEJJXNPSA-N 1 1 322.413 2.137 20 5 DEBDMO Cc1cnc(NC[C@H](CC(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000078628692 355271528 /nfs/dbraw/zinc/27/15/28/355271528.db2.gz YSLGDRFEVCZBFV-AWEZNQCLSA-N 1 1 322.409 2.457 20 5 DEBDMO Cc1c(C[NH+]2CCC(c3nc[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000083443247 355467428 /nfs/dbraw/zinc/46/74/28/355467428.db2.gz BUSWNGCSBIFMOM-UHFFFAOYSA-N 1 1 301.350 2.401 20 5 DEBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000089928092 355547367 /nfs/dbraw/zinc/54/73/67/355547367.db2.gz NZNKUUPUQXTERH-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000089927918 355547447 /nfs/dbraw/zinc/54/74/47/355547447.db2.gz QXOTXWRLHOBQML-GHMZBOCLSA-N 1 1 305.334 2.329 20 5 DEBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000089927918 355547448 /nfs/dbraw/zinc/54/74/48/355547448.db2.gz QXOTXWRLHOBQML-GHMZBOCLSA-N 1 1 305.334 2.329 20 5 DEBDMO C[C@H](O)[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000089928889 355548804 /nfs/dbraw/zinc/54/88/04/355548804.db2.gz OJLMZWHKEBHHMG-KBPBESRZSA-N 1 1 308.378 2.457 20 5 DEBDMO CCC[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000090884137 355568798 /nfs/dbraw/zinc/56/87/98/355568798.db2.gz VOTPWVZGPVCOHE-HZPDHXFCSA-N 1 1 318.377 2.493 20 5 DEBDMO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695792 356210376 /nfs/dbraw/zinc/21/03/76/356210376.db2.gz UDRKYFOSIHYLMI-KGLIPLIRSA-N 1 1 321.425 2.034 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[N@H+](CCCCO)C3CC3)nc2c1 ZINC000304815113 356398528 /nfs/dbraw/zinc/39/85/28/356398528.db2.gz SQWQNAZSZMQREW-UHFFFAOYSA-N 1 1 305.334 2.473 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000359742491 283181179 /nfs/dbraw/zinc/18/11/79/283181179.db2.gz JVILORATVNDEJS-ZDUSSCGKSA-N 1 1 323.393 2.210 20 5 DEBDMO Cc1[nH+]ccn1CCCCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420606286 283194095 /nfs/dbraw/zinc/19/40/95/283194095.db2.gz WUVFWHAGLCQOJM-UHFFFAOYSA-N 1 1 317.349 2.091 20 5 DEBDMO CCOc1cc(C[N@H+](C)CCNC(=O)C(C)C)ccc1[N+](=O)[O-] ZINC000276888640 213156060 /nfs/dbraw/zinc/15/60/60/213156060.db2.gz JSNSSDFCAMTBLR-UHFFFAOYSA-N 1 1 323.393 2.198 20 5 DEBDMO CCOc1cc(C[N@@H+](C)CCNC(=O)C(C)C)ccc1[N+](=O)[O-] ZINC000276888640 213156062 /nfs/dbraw/zinc/15/60/62/213156062.db2.gz JSNSSDFCAMTBLR-UHFFFAOYSA-N 1 1 323.393 2.198 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000590036266 357514263 /nfs/dbraw/zinc/51/42/63/357514263.db2.gz DGIKZNDSDXQLPV-ZDUSSCGKSA-N 1 1 319.405 2.425 20 5 DEBDMO CC[N@H+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000590036266 357514268 /nfs/dbraw/zinc/51/42/68/357514268.db2.gz DGIKZNDSDXQLPV-ZDUSSCGKSA-N 1 1 319.405 2.425 20 5 DEBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCC[N@H+]1C ZINC000591479459 357730414 /nfs/dbraw/zinc/73/04/14/357730414.db2.gz LNUJNIBEVWPNQR-GFCCVEGCSA-N 1 1 304.350 2.262 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1 ZINC000592131126 357836601 /nfs/dbraw/zinc/83/66/01/357836601.db2.gz RJRDBMRLBXYGGW-AWEZNQCLSA-N 1 1 311.332 2.163 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1 ZINC000592131126 357836604 /nfs/dbraw/zinc/83/66/04/357836604.db2.gz RJRDBMRLBXYGGW-AWEZNQCLSA-N 1 1 311.332 2.163 20 5 DEBDMO C[C@H](CO)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000593085880 358005455 /nfs/dbraw/zinc/00/54/55/358005455.db2.gz ZALVJOOTYLUASM-LLVKDONJSA-N 1 1 318.377 2.312 20 5 DEBDMO C[C@@H](CCO)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593107577 358012418 /nfs/dbraw/zinc/01/24/18/358012418.db2.gz FIGZTYYMVAZUDU-NSHDSACASA-N 1 1 305.334 2.453 20 5 DEBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594197373 358221540 /nfs/dbraw/zinc/22/15/40/358221540.db2.gz NHYGGXXIXCUFMG-HOTGVXAUSA-N 1 1 317.389 2.270 20 5 DEBDMO NC(=O)c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594602526 358302906 /nfs/dbraw/zinc/30/29/06/358302906.db2.gz QYMHCSAIULHSMX-OCCSQVGLSA-N 1 1 318.377 2.123 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595764530 358543622 /nfs/dbraw/zinc/54/36/22/358543622.db2.gz ASDSVXPBXLXOMI-IUODEOHRSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])s1 ZINC000596111953 358613749 /nfs/dbraw/zinc/61/37/49/358613749.db2.gz FNFAEPUQTRMPQW-YPMHNXCESA-N 1 1 311.407 2.000 20 5 DEBDMO COc1cc(NC[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1C ZINC000596134105 358618399 /nfs/dbraw/zinc/61/83/99/358618399.db2.gz LNWVQEJALOFEFE-GFCCVEGCSA-N 1 1 323.393 2.292 20 5 DEBDMO Cc1[nH+]ccn1CCCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596137033 358620476 /nfs/dbraw/zinc/62/04/76/358620476.db2.gz OKKZOTKXKMPZDJ-UHFFFAOYSA-N 1 1 309.757 2.462 20 5 DEBDMO Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000596246435 358651268 /nfs/dbraw/zinc/65/12/68/358651268.db2.gz FRBAIUQMGRTIBH-HNNXBMFYSA-N 1 1 305.378 2.204 20 5 DEBDMO CCc1nn(C)c(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596307411 358664473 /nfs/dbraw/zinc/66/44/73/358664473.db2.gz MSMNIJXOORXKIV-NSHDSACASA-N 1 1 309.414 2.423 20 5 DEBDMO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596337157 358669538 /nfs/dbraw/zinc/66/95/38/358669538.db2.gz VENJOEUOMYHSJO-GFCCVEGCSA-N 1 1 320.393 2.239 20 5 DEBDMO Cc1ccc(C[N@@H+](CCOCCO)C2CCC2)cc1[N+](=O)[O-] ZINC000597205508 358852564 /nfs/dbraw/zinc/85/25/64/358852564.db2.gz GNJWETGKVNYFKP-UHFFFAOYSA-N 1 1 308.378 2.267 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1COCCO1 ZINC000597208261 358854418 /nfs/dbraw/zinc/85/44/18/358854418.db2.gz XVOCTKSWBBATFR-RQPMMQJISA-N 1 1 306.362 2.345 20 5 DEBDMO Cc1c(CC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597922709 359041943 /nfs/dbraw/zinc/04/19/43/359041943.db2.gz LABPQDFLVPIBHG-AWEZNQCLSA-N 1 1 319.405 2.435 20 5 DEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000597714296 358986582 /nfs/dbraw/zinc/98/65/82/358986582.db2.gz IEGKJYQWYUUTSP-KRWDZBQOSA-N 1 1 317.389 2.082 20 5 DEBDMO CCC(O)(CC)C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000599673952 359566168 /nfs/dbraw/zinc/56/61/68/359566168.db2.gz WVOGPUHEEBFLGE-UHFFFAOYSA-N 1 1 323.393 2.325 20 5 DEBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1sccc1[N+](=O)[O-])C2 ZINC000601185017 359956137 /nfs/dbraw/zinc/95/61/37/359956137.db2.gz NGUDQTUNQSSBOF-JTQLQIEISA-N 1 1 322.390 2.123 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCn4ccnc4C3)c2c1 ZINC000601146847 359941726 /nfs/dbraw/zinc/94/17/26/359941726.db2.gz DSFZSTOEJVYRGZ-LLVKDONJSA-N 1 1 309.329 2.188 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601180439 359954717 /nfs/dbraw/zinc/95/47/17/359954717.db2.gz OORQXBPFKFURNA-NSHDSACASA-N 1 1 309.341 2.148 20 5 DEBDMO O=[N+]([O-])c1ncccc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601258022 359984426 /nfs/dbraw/zinc/98/44/26/359984426.db2.gz SYBQHLZZZVVRLF-UHFFFAOYSA-N 1 1 314.345 2.018 20 5 DEBDMO CO[C@]1(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCOC1 ZINC000602440131 360373839 /nfs/dbraw/zinc/37/38/39/360373839.db2.gz NXZGQYSLWZREPM-INIZCTEOSA-N 1 1 306.362 2.365 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC000602516779 360413884 /nfs/dbraw/zinc/41/38/84/360413884.db2.gz RDJISQLHPNHPTF-NWDGAFQWSA-N 1 1 316.361 2.452 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC000602516781 360414063 /nfs/dbraw/zinc/41/40/63/360414063.db2.gz RDJISQLHPNHPTF-VXGBXAGGSA-N 1 1 316.361 2.452 20 5 DEBDMO CCO[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1OC ZINC000602614058 360457978 /nfs/dbraw/zinc/45/79/78/360457978.db2.gz BPMCNVGZXWBPGL-NJZAAPMLSA-N 1 1 321.333 2.018 20 5 DEBDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1OC ZINC000602614056 360458070 /nfs/dbraw/zinc/45/80/70/360458070.db2.gz BPMCNVGZXWBPGL-KYOSRNDESA-N 1 1 321.333 2.018 20 5 DEBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602692437 360501050 /nfs/dbraw/zinc/50/10/50/360501050.db2.gz HWAJCZJEFDGTTG-GHMZBOCLSA-N 1 1 305.334 2.329 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccccc1N(C)C ZINC000602833327 360578485 /nfs/dbraw/zinc/57/84/85/360578485.db2.gz OIJUGFAVBQBDBN-UHFFFAOYSA-N 1 1 317.393 2.298 20 5 DEBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccn1 ZINC000602825128 360573660 /nfs/dbraw/zinc/57/36/60/360573660.db2.gz QYCSUMIDLXKTEL-UHFFFAOYSA-N 1 1 314.345 2.103 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccn1 ZINC000602825128 360573665 /nfs/dbraw/zinc/57/36/65/360573665.db2.gz QYCSUMIDLXKTEL-UHFFFAOYSA-N 1 1 314.345 2.103 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000602827630 360575030 /nfs/dbraw/zinc/57/50/30/360575030.db2.gz MCAHWRQUFGNJHD-OAHLLOKOSA-N 1 1 315.377 2.374 20 5 DEBDMO CC1(F)CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000602992911 360659179 /nfs/dbraw/zinc/65/91/79/360659179.db2.gz JLOAIHUBNQJTOG-UHFFFAOYSA-N 1 1 321.352 2.308 20 5 DEBDMO CSc1ccc(C(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000271993213 209366903 /nfs/dbraw/zinc/36/69/03/209366903.db2.gz QEKBLQUTRNTNNJ-UHFFFAOYSA-N 1 1 321.402 2.308 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000603668819 360852759 /nfs/dbraw/zinc/85/27/59/360852759.db2.gz OOIMGZFHHNGZQF-ZDUSSCGKSA-N 1 1 322.409 2.175 20 5 DEBDMO CCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000604436049 360905913 /nfs/dbraw/zinc/90/59/13/360905913.db2.gz XWEHZIAIRUZAGT-IUODEOHRSA-N 1 1 321.377 2.423 20 5 DEBDMO CCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000604436049 360905919 /nfs/dbraw/zinc/90/59/19/360905919.db2.gz XWEHZIAIRUZAGT-IUODEOHRSA-N 1 1 321.377 2.423 20 5 DEBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609383602 361308436 /nfs/dbraw/zinc/30/84/36/361308436.db2.gz WESQJTQKYQBEHT-GFCCVEGCSA-N 1 1 323.780 2.462 20 5 DEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000609539857 361319380 /nfs/dbraw/zinc/31/93/80/361319380.db2.gz FLIOXINCCULWKR-ZDUSSCGKSA-N 1 1 315.329 2.276 20 5 DEBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000193887458 201138423 /nfs/dbraw/zinc/13/84/23/201138423.db2.gz XXBOYDVZYLFWQR-NSHDSACASA-N 1 1 309.322 2.361 20 5 DEBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000611140144 361533557 /nfs/dbraw/zinc/53/35/57/361533557.db2.gz YAGLOIHFGMEZME-LLVKDONJSA-N 1 1 304.325 2.457 20 5 DEBDMO CSCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611560274 361632540 /nfs/dbraw/zinc/63/25/40/361632540.db2.gz KRXKIBASGGNZRO-CYBMUJFWSA-N 1 1 306.391 2.370 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194792675 201289834 /nfs/dbraw/zinc/28/98/34/201289834.db2.gz UYLSLQVJDPALLE-CYBMUJFWSA-N 1 1 305.378 2.460 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611706674 361663421 /nfs/dbraw/zinc/66/34/21/361663421.db2.gz JIMSFDFGVQAWIL-LBPRGKRZSA-N 1 1 315.377 2.316 20 5 DEBDMO CO[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000281581701 216399606 /nfs/dbraw/zinc/39/96/06/216399606.db2.gz DGLQRDMDVYXDQU-IUODEOHRSA-N 1 1 321.377 2.057 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000281581701 216399608 /nfs/dbraw/zinc/39/96/08/216399608.db2.gz DGLQRDMDVYXDQU-IUODEOHRSA-N 1 1 321.377 2.057 20 5 DEBDMO C[C@@H]1CN(CC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000195304552 201377269 /nfs/dbraw/zinc/37/72/69/201377269.db2.gz UQSVYQUCNFDCBR-OKILXGFUSA-N 1 1 307.394 2.136 20 5 DEBDMO C[C@@H]1C[N@@H+](CCN(C)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000195304552 201377277 /nfs/dbraw/zinc/37/72/77/201377277.db2.gz UQSVYQUCNFDCBR-OKILXGFUSA-N 1 1 307.394 2.136 20 5 DEBDMO C[C@@H]1C[N@H+](CCN(C)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000195304552 201377281 /nfs/dbraw/zinc/37/72/81/201377281.db2.gz UQSVYQUCNFDCBR-OKILXGFUSA-N 1 1 307.394 2.136 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](CCO)C2CCOCC2)c1 ZINC000275469657 212353658 /nfs/dbraw/zinc/35/36/58/212353658.db2.gz COGMIGLMYFRRHE-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000275455726 212345070 /nfs/dbraw/zinc/34/50/70/212345070.db2.gz YFXCVAJPRGXEQR-LBPRGKRZSA-N 1 1 304.394 2.341 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450785638 242220786 /nfs/dbraw/zinc/22/07/86/242220786.db2.gz BJBLDOXWLOQJAA-GASCZTMLSA-N 1 1 321.377 2.016 20 5 DEBDMO CCOc1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000450790425 242230598 /nfs/dbraw/zinc/23/05/98/242230598.db2.gz KOUQRWJFSJOTDR-OKILXGFUSA-N 1 1 321.377 2.269 20 5 DEBDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543162 243092181 /nfs/dbraw/zinc/09/21/81/243092181.db2.gz BBVLGEFENJGNMQ-JSGCOSHPSA-N 1 1 317.389 2.441 20 5 DEBDMO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451577657 243150454 /nfs/dbraw/zinc/15/04/54/243150454.db2.gz VVQHTRXNDKBDHI-JSGCOSHPSA-N 1 1 321.377 2.199 20 5 DEBDMO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451577657 243150463 /nfs/dbraw/zinc/15/04/63/243150463.db2.gz VVQHTRXNDKBDHI-JSGCOSHPSA-N 1 1 321.377 2.199 20 5 DEBDMO Cc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000453267809 245041087 /nfs/dbraw/zinc/04/10/87/245041087.db2.gz YWQBWQSWPHRHBP-ZBFHGGJFSA-N 1 1 321.421 2.401 20 5 DEBDMO Cc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000453267809 245041097 /nfs/dbraw/zinc/04/10/97/245041097.db2.gz YWQBWQSWPHRHBP-ZBFHGGJFSA-N 1 1 321.421 2.401 20 5 DEBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000282444583 217000388 /nfs/dbraw/zinc/00/03/88/217000388.db2.gz JURMTWHTPHURMJ-MEBBXXQBSA-N 1 1 310.325 2.365 20 5 DEBDMO COCC[N@H+]1CC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000264812177 204176104 /nfs/dbraw/zinc/17/61/04/204176104.db2.gz DUIPFIJGPSNYJO-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO CC(C)NC(=O)c1ccc(NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000264956077 204301035 /nfs/dbraw/zinc/30/10/35/204301035.db2.gz WKZCQMQOYHKLGD-UHFFFAOYSA-N 1 1 320.393 2.239 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C2CCC2)CC1 ZINC000265029986 204353211 /nfs/dbraw/zinc/35/32/11/204353211.db2.gz XIZGUOJYWVIKEN-UHFFFAOYSA-N 1 1 307.325 2.044 20 5 DEBDMO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000282500011 217043169 /nfs/dbraw/zinc/04/31/69/217043169.db2.gz NJPSIQPNARCARP-JQWIXIFHSA-N 1 1 310.325 2.365 20 5 DEBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000282500011 217043171 /nfs/dbraw/zinc/04/31/71/217043171.db2.gz NJPSIQPNARCARP-JQWIXIFHSA-N 1 1 310.325 2.365 20 5 DEBDMO CC[N@H+]1CC[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000266059672 205066337 /nfs/dbraw/zinc/06/63/37/205066337.db2.gz AMAPRNRDNLXPFH-GXTWGEPZSA-N 1 1 307.394 2.423 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000288316923 220080948 /nfs/dbraw/zinc/08/09/48/220080948.db2.gz CWJMYKDOXPFRGD-LLVKDONJSA-N 1 1 304.354 2.227 20 5 DEBDMO COc1ncccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293708701 223661610 /nfs/dbraw/zinc/66/16/10/223661610.db2.gz LTBZQMWWOGKUET-JTQLQIEISA-N 1 1 302.334 2.431 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000285775555 296240776 /nfs/dbraw/zinc/24/07/76/296240776.db2.gz DQAUDIXWHLGLHO-QLFBSQMISA-N 1 1 319.405 2.451 20 5 DEBDMO CNc1c(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000458227416 248217834 /nfs/dbraw/zinc/21/78/34/248217834.db2.gz UCJNNPTUVZTVRQ-GFCCVEGCSA-N 1 1 320.393 2.098 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493536251 249318015 /nfs/dbraw/zinc/31/80/15/249318015.db2.gz ZSTAODZYIXYVAJ-MRZGDXHCSA-N 1 1 303.362 2.161 20 5 DEBDMO O=C(C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000284908351 218229909 /nfs/dbraw/zinc/22/99/09/218229909.db2.gz VDLACXAWQNDGCV-GJZGRUSLSA-N 1 1 319.361 2.177 20 5 DEBDMO O=C(C[N@H+]1CCC[C@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000284908351 218229913 /nfs/dbraw/zinc/22/99/13/218229913.db2.gz VDLACXAWQNDGCV-GJZGRUSLSA-N 1 1 319.361 2.177 20 5 DEBDMO CC(C)N1CC[C@@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000285163684 218315445 /nfs/dbraw/zinc/31/54/45/218315445.db2.gz ASJAABHFRRZTIK-OAHLLOKOSA-N 1 1 305.378 2.078 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@](C)(O)C(F)(F)F ZINC000285208472 218333286 /nfs/dbraw/zinc/33/32/86/218333286.db2.gz DLMUJEXEJSVGIU-GFCCVEGCSA-N 1 1 306.284 2.382 20 5 DEBDMO CC(C)COC[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285335601 218387166 /nfs/dbraw/zinc/38/71/66/218387166.db2.gz OHKPONHSVGRNEB-OAHLLOKOSA-N 1 1 310.394 2.103 20 5 DEBDMO COc1cc(NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000301955031 533034417 /nfs/dbraw/zinc/03/44/17/533034417.db2.gz KNYFGLOJWHPARB-NSHDSACASA-N 1 1 309.366 2.366 20 5 DEBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000068517610 285163211 /nfs/dbraw/zinc/16/32/11/285163211.db2.gz ASXAZLPJABFJPZ-AWEZNQCLSA-N 1 1 305.378 2.286 20 5 DEBDMO CCOCC[N@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157586367 197199813 /nfs/dbraw/zinc/19/98/13/197199813.db2.gz CBXWZVWBKGHMLJ-GFCCVEGCSA-N 1 1 309.366 2.280 20 5 DEBDMO CCOCC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157586367 197199815 /nfs/dbraw/zinc/19/98/15/197199815.db2.gz CBXWZVWBKGHMLJ-GFCCVEGCSA-N 1 1 309.366 2.280 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000154964443 197008760 /nfs/dbraw/zinc/00/87/60/197008760.db2.gz DTLDUDFTMRIRCS-ZBFHGGJFSA-N 1 1 317.389 2.460 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1 ZINC000543576377 285295368 /nfs/dbraw/zinc/29/53/68/285295368.db2.gz BNLXHSFNSMOZJI-GFCCVEGCSA-N 1 1 320.393 2.098 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)C1 ZINC000299690841 533226769 /nfs/dbraw/zinc/22/67/69/533226769.db2.gz YVCORPLZNVYXNQ-MNOVXSKESA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)C1 ZINC000299690841 533226774 /nfs/dbraw/zinc/22/67/74/533226774.db2.gz YVCORPLZNVYXNQ-MNOVXSKESA-N 1 1 307.350 2.272 20 5 DEBDMO CC(C)c1ccc(C[N@H+]2CC[C@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000355725846 133044363 /nfs/dbraw/zinc/04/43/63/133044363.db2.gz HGGHIGCVRQJIRN-INIZCTEOSA-N 1 1 305.378 2.416 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000357775369 133099308 /nfs/dbraw/zinc/09/93/08/133099308.db2.gz PDJGRDWKDFNWFT-LBPRGKRZSA-N 1 1 322.409 2.487 20 5 DEBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000357957553 133111986 /nfs/dbraw/zinc/11/19/86/133111986.db2.gz IQSATFRQHKJDSJ-YUELXQCFSA-N 1 1 322.409 2.317 20 5 DEBDMO Cc1cc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000052312556 134765004 /nfs/dbraw/zinc/76/50/04/134765004.db2.gz RQWNTMWBFKQTDE-UHFFFAOYSA-N 1 1 313.361 2.328 20 5 DEBDMO C[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000564718000 292106952 /nfs/dbraw/zinc/10/69/52/292106952.db2.gz DRFIKZVCUFTSKU-SWLSCSKDSA-N 1 1 305.378 2.251 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000188697173 145016044 /nfs/dbraw/zinc/01/60/44/145016044.db2.gz RNCFMOJMRYCBLC-UHFFFAOYSA-N 1 1 323.393 2.374 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000246749923 145112846 /nfs/dbraw/zinc/11/28/46/145112846.db2.gz PPEHKCNYBZSSBR-JQWIXIFHSA-N 1 1 309.391 2.213 20 5 DEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000247730989 145143771 /nfs/dbraw/zinc/14/37/71/145143771.db2.gz UNXLCYFJWLJZBG-IUODEOHRSA-N 1 1 321.377 2.423 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247936423 145145604 /nfs/dbraw/zinc/14/56/04/145145604.db2.gz CMVVOPIXNTYFHW-GXTWGEPZSA-N 1 1 303.362 2.151 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000249063855 145177772 /nfs/dbraw/zinc/17/77/72/145177772.db2.gz JYPVFHLLLIBDJJ-QWHCGFSZSA-N 1 1 322.361 2.105 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2nonc21 ZINC000317270290 145365624 /nfs/dbraw/zinc/36/56/24/145365624.db2.gz PTKLUEXECCNAMG-UWVGGRQHSA-N 1 1 303.322 2.170 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000348361914 146260617 /nfs/dbraw/zinc/26/06/17/146260617.db2.gz BIJLISRPCUNVAH-INIZCTEOSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000348361914 146260619 /nfs/dbraw/zinc/26/06/19/146260619.db2.gz BIJLISRPCUNVAH-INIZCTEOSA-N 1 1 321.377 2.079 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000348391971 146264660 /nfs/dbraw/zinc/26/46/60/146264660.db2.gz ADVMZQBSLHBTFV-VXGBXAGGSA-N 1 1 321.377 2.206 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1COC[C@H]1O ZINC000348639869 146294044 /nfs/dbraw/zinc/29/40/44/146294044.db2.gz ZVOMDEAFJMRPKN-LSDHHAIUSA-N 1 1 318.329 2.046 20 5 DEBDMO Cc1nc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000370564382 148031603 /nfs/dbraw/zinc/03/16/03/148031603.db2.gz AXMLEBLXHCKIHI-UKRRQHHQSA-N 1 1 320.393 2.354 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000127157418 401722662 /nfs/dbraw/zinc/72/26/62/401722662.db2.gz BVIQMHABCPTAHU-UHFFFAOYSA-N 1 1 307.394 2.294 20 5 DEBDMO C[C@H](O)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000111288518 401708024 /nfs/dbraw/zinc/70/80/24/401708024.db2.gz OIGJAASRFITGNB-NSHDSACASA-N 1 1 322.361 2.054 20 5 DEBDMO COC[C@](C)(CCO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119320035 401941032 /nfs/dbraw/zinc/94/10/32/401941032.db2.gz FZNKIAHDSKUUDO-ZDUSSCGKSA-N 1 1 302.758 2.125 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2C(C)(C)O)c([N+](=O)[O-])c1 ZINC000122356277 402074732 /nfs/dbraw/zinc/07/47/32/402074732.db2.gz GONBTJDHDZTNML-HNNXBMFYSA-N 1 1 324.377 2.218 20 5 DEBDMO Cc1c(CC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000123325032 402122150 /nfs/dbraw/zinc/12/21/50/402122150.db2.gz AGMWXSJEOJBSKU-AWEZNQCLSA-N 1 1 319.405 2.246 20 5 DEBDMO NC(=O)CC[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103481474 402190333 /nfs/dbraw/zinc/19/03/33/402190333.db2.gz NYQOEYGTTWBNQF-LLVKDONJSA-N 1 1 309.341 2.211 20 5 DEBDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103481474 402190337 /nfs/dbraw/zinc/19/03/37/402190337.db2.gz NYQOEYGTTWBNQF-LLVKDONJSA-N 1 1 309.341 2.211 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000067703571 402168479 /nfs/dbraw/zinc/16/84/79/402168479.db2.gz JGEFIGSAQJJYJN-SNVBAGLBSA-N 1 1 309.753 2.215 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1 ZINC000153769846 402169511 /nfs/dbraw/zinc/16/95/11/402169511.db2.gz HUSKKSVUPVLXIF-HNNXBMFYSA-N 1 1 321.377 2.016 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1 ZINC000153769846 402169513 /nfs/dbraw/zinc/16/95/13/402169513.db2.gz HUSKKSVUPVLXIF-HNNXBMFYSA-N 1 1 321.377 2.016 20 5 DEBDMO CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000125183640 402217953 /nfs/dbraw/zinc/21/79/53/402217953.db2.gz GSSRYUOIKAIKJF-NSHDSACASA-N 1 1 307.350 2.274 20 5 DEBDMO CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000125183640 402217954 /nfs/dbraw/zinc/21/79/54/402217954.db2.gz GSSRYUOIKAIKJF-NSHDSACASA-N 1 1 307.350 2.274 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070074373 402256869 /nfs/dbraw/zinc/25/68/69/402256869.db2.gz GEKMKBWFVJIIKI-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000155570907 402261266 /nfs/dbraw/zinc/26/12/66/402261266.db2.gz CQJDBWDWCKFZSI-MNHHLFBFSA-N 1 1 321.352 2.298 20 5 DEBDMO Cc1ccc(C[NH2+][C@@H](C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000185862995 402384144 /nfs/dbraw/zinc/38/41/44/402384144.db2.gz LKRGNWXLCSIYSK-HNNXBMFYSA-N 1 1 320.437 2.019 20 5 DEBDMO [NH3+]CC(F)(F)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000162663436 402427635 /nfs/dbraw/zinc/42/76/35/402427635.db2.gz LZAPEBVVUKWZBI-UHFFFAOYSA-N 1 1 310.098 2.363 20 5 DEBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(N(C)C)no1 ZINC000186413835 402428993 /nfs/dbraw/zinc/42/89/93/402428993.db2.gz ULBJKRYXJAVVBZ-LLVKDONJSA-N 1 1 319.365 2.155 20 5 DEBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccccc1 ZINC000245574308 402471608 /nfs/dbraw/zinc/47/16/08/402471608.db2.gz DLODTFGQRYNHEI-CXAGYDPISA-N 1 1 313.357 2.450 20 5 DEBDMO COC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000247161787 402558774 /nfs/dbraw/zinc/55/87/74/402558774.db2.gz ZMPKXWFGKZMMOS-QWHCGFSZSA-N 1 1 321.377 2.280 20 5 DEBDMO COC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000247161787 402558777 /nfs/dbraw/zinc/55/87/77/402558777.db2.gz ZMPKXWFGKZMMOS-QWHCGFSZSA-N 1 1 321.377 2.280 20 5 DEBDMO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247296907 402562552 /nfs/dbraw/zinc/56/25/52/402562552.db2.gz GTABZOVHLHFSSB-OCCSQVGLSA-N 1 1 305.378 2.315 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@@H](C)C1 ZINC000170774574 402523815 /nfs/dbraw/zinc/52/38/15/402523815.db2.gz IBMGBWXGZGWAPW-RYUDHWBXSA-N 1 1 307.350 2.033 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCO[C@@H](C)C1 ZINC000170774574 402523816 /nfs/dbraw/zinc/52/38/16/402523816.db2.gz IBMGBWXGZGWAPW-RYUDHWBXSA-N 1 1 307.350 2.033 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000179571726 402595058 /nfs/dbraw/zinc/59/50/58/402595058.db2.gz KOVVMHTTWFTCBM-VFQAQYNWSA-N 1 1 306.362 2.081 20 5 DEBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000252223141 402653017 /nfs/dbraw/zinc/65/30/17/402653017.db2.gz ZOTWRYUUQPCPGC-UONOGXRCSA-N 1 1 319.405 2.374 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255002259 402674812 /nfs/dbraw/zinc/67/48/12/402674812.db2.gz UDNQERMWIJMLMX-DEBLGDTFSA-N 1 1 303.362 2.066 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000255541055 402690369 /nfs/dbraw/zinc/69/03/69/402690369.db2.gz KDQPLCZIJVUKFS-LQGBBJIQSA-N 1 1 315.373 2.349 20 5 DEBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255841241 402697161 /nfs/dbraw/zinc/69/71/61/402697161.db2.gz DWNDQPOZFWBYQZ-DQOKEGCPSA-N 1 1 317.389 2.453 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000175349686 402799052 /nfs/dbraw/zinc/79/90/52/402799052.db2.gz TWZYNANEFKXGHV-UHFFFAOYSA-N 1 1 308.382 2.126 20 5 DEBDMO COc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)O)c([N+](=O)[O-])cc1F ZINC000184211091 402827185 /nfs/dbraw/zinc/82/71/85/402827185.db2.gz DTMZKIGBTSRTMY-GWCFXTLKSA-N 1 1 312.341 2.478 20 5 DEBDMO COc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)O)c([N+](=O)[O-])cc1F ZINC000184211091 402827187 /nfs/dbraw/zinc/82/71/87/402827187.db2.gz DTMZKIGBTSRTMY-GWCFXTLKSA-N 1 1 312.341 2.478 20 5 DEBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000184271282 402832042 /nfs/dbraw/zinc/83/20/42/402832042.db2.gz SYIYZLGTZLELPB-HZMBPMFUSA-N 1 1 312.341 2.335 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)c1cnn(C)c1 ZINC000271412965 402868162 /nfs/dbraw/zinc/86/81/62/402868162.db2.gz AUMRVINIDSHVQH-IAQYHMDHSA-N 1 1 304.350 2.021 20 5 DEBDMO CC[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000264684052 402891294 /nfs/dbraw/zinc/89/12/94/402891294.db2.gz AOMHZZQZIDOOLO-AAEUAGOBSA-N 1 1 311.357 2.015 20 5 DEBDMO CCc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272441427 402937685 /nfs/dbraw/zinc/93/76/85/402937685.db2.gz IRQQUZRAOJKANP-CJNGLKHVSA-N 1 1 317.389 2.323 20 5 DEBDMO C[C@@H](CCCO)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272501189 402945137 /nfs/dbraw/zinc/94/51/37/402945137.db2.gz GVSQMVSASPRIAO-SWLSCSKDSA-N 1 1 318.377 2.168 20 5 DEBDMO CO[C@H](C)CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272521586 402948105 /nfs/dbraw/zinc/94/81/05/402948105.db2.gz LFBCGOQPCRAORZ-IUODEOHRSA-N 1 1 318.377 2.432 20 5 DEBDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279252682 402922243 /nfs/dbraw/zinc/92/22/43/402922243.db2.gz LIIGBAQUGAOHEN-SNVBAGLBSA-N 1 1 309.391 2.021 20 5 DEBDMO C[C@H]1CCSCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279334227 402931843 /nfs/dbraw/zinc/93/18/43/402931843.db2.gz UHBNSSBNJJMHCH-LBPRGKRZSA-N 1 1 323.418 2.385 20 5 DEBDMO C[C@H]1CCSCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279334227 402931846 /nfs/dbraw/zinc/93/18/46/402931846.db2.gz UHBNSSBNJJMHCH-LBPRGKRZSA-N 1 1 323.418 2.385 20 5 DEBDMO CCc1ccc(C(=O)NCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000266889663 402997678 /nfs/dbraw/zinc/99/76/78/402997678.db2.gz AINYBWTZGCAXJM-UHFFFAOYSA-N 1 1 302.334 2.092 20 5 DEBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000273391569 403000563 /nfs/dbraw/zinc/00/05/63/403000563.db2.gz UYODCAYPPWVWCR-MCIONIFRSA-N 1 1 308.378 2.455 20 5 DEBDMO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000273564030 403015682 /nfs/dbraw/zinc/01/56/82/403015682.db2.gz DVKPGOLLEJUKKV-PELKAZGASA-N 1 1 308.363 2.139 20 5 DEBDMO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000280250536 402979538 /nfs/dbraw/zinc/97/95/38/402979538.db2.gz BKLYPTIMKLPJMQ-KRWDZBQOSA-N 1 1 320.389 2.407 20 5 DEBDMO Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268154974 403055359 /nfs/dbraw/zinc/05/53/59/403055359.db2.gz HAMXUGDVKDTZMV-SMDDNHRTSA-N 1 1 303.362 2.116 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000274505539 403062019 /nfs/dbraw/zinc/06/20/19/403062019.db2.gz PYIYTKUBDJLLMX-AWEZNQCLSA-N 1 1 305.378 2.126 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000268232108 403064671 /nfs/dbraw/zinc/06/46/71/403064671.db2.gz SMDZMNRJGWOVMG-ZANVPECISA-N 1 1 323.780 2.461 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000275790777 403123793 /nfs/dbraw/zinc/12/37/93/403123793.db2.gz RCUCCAWSHXHALX-UHFFFAOYSA-N 1 1 303.322 2.230 20 5 DEBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000269787578 403165962 /nfs/dbraw/zinc/16/59/62/403165962.db2.gz IJLWXMIBKRFPFE-QWRGUYRKSA-N 1 1 305.334 2.471 20 5 DEBDMO C[N@@H+](CCCCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000276355712 403166847 /nfs/dbraw/zinc/16/68/47/403166847.db2.gz JMFPKWRNFWJFFZ-UHFFFAOYSA-N 1 1 319.361 2.497 20 5 DEBDMO Cc1c(CC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000269630012 403151930 /nfs/dbraw/zinc/15/19/30/403151930.db2.gz PFSOMISPCJDPLP-GOEBONIOSA-N 1 1 317.389 2.189 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277368859 403210156 /nfs/dbraw/zinc/21/01/56/403210156.db2.gz CWKYXCHHJIFPMP-CYBMUJFWSA-N 1 1 321.377 2.208 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000277571755 403231961 /nfs/dbraw/zinc/23/19/61/403231961.db2.gz LFCRDNPBMGUIEK-FZMZJTMJSA-N 1 1 321.377 2.016 20 5 DEBDMO CSc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330660274 403299302 /nfs/dbraw/zinc/29/93/02/403299302.db2.gz BMMQZXRWCPWYGU-JTQLQIEISA-N 1 1 309.391 2.093 20 5 DEBDMO CSc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330660274 403299307 /nfs/dbraw/zinc/29/93/07/403299307.db2.gz BMMQZXRWCPWYGU-JTQLQIEISA-N 1 1 309.391 2.093 20 5 DEBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000284286872 403260130 /nfs/dbraw/zinc/26/01/30/403260130.db2.gz YJONOQXWCBHNEH-SECBINFHSA-N 1 1 305.294 2.087 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000284848476 403272502 /nfs/dbraw/zinc/27/25/02/403272502.db2.gz RKQACEBYVKPMMK-DAXOMENPSA-N 1 1 305.378 2.061 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000330611482 403288527 /nfs/dbraw/zinc/28/85/27/403288527.db2.gz PTTRAEHOUGLPQS-WDEREUQCSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000330611482 403288529 /nfs/dbraw/zinc/28/85/29/403288529.db2.gz PTTRAEHOUGLPQS-WDEREUQCSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000330611481 403288650 /nfs/dbraw/zinc/28/86/50/403288650.db2.gz PTTRAEHOUGLPQS-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000330611481 403288654 /nfs/dbraw/zinc/28/86/54/403288654.db2.gz PTTRAEHOUGLPQS-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292269791 403339547 /nfs/dbraw/zinc/33/95/47/403339547.db2.gz QBGLSKASCIIUCQ-DKRLNXSXSA-N 1 1 315.373 2.162 20 5 DEBDMO 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HNRGPTODSHHRBR-LBPRGKRZSA-N 1 1 303.362 2.151 20 5 DEBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000305212164 403879469 /nfs/dbraw/zinc/87/94/69/403879469.db2.gz GGAVIWYEGZGDGM-WFASDCNBSA-N 1 1 321.377 2.159 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc1 ZINC000361810881 403881243 /nfs/dbraw/zinc/88/12/43/403881243.db2.gz GLXDBZAXNFTRDS-KBPBESRZSA-N 1 1 306.366 2.045 20 5 DEBDMO CC(C)Oc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000411548249 403889351 /nfs/dbraw/zinc/88/93/51/403889351.db2.gz DQGBXFHNYZPCCS-GFCCVEGCSA-N 1 1 321.377 2.064 20 5 DEBDMO O=C(CC[N@H+]1CCC[C@@]12CCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411763806 403961092 /nfs/dbraw/zinc/96/10/92/403961092.db2.gz CTINHMSYHLHQHW-INIZCTEOSA-N 1 1 319.361 2.178 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289316337 403907940 /nfs/dbraw/zinc/90/79/40/403907940.db2.gz BDBYBPRNEXNBLR-SECBINFHSA-N 1 1 312.757 2.464 20 5 DEBDMO COCCOCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344102448 403912161 /nfs/dbraw/zinc/91/21/61/403912161.db2.gz FJCUQUITCCMBSW-UHFFFAOYSA-N 1 1 302.758 2.343 20 5 DEBDMO COCCOCC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344102448 403912169 /nfs/dbraw/zinc/91/21/69/403912169.db2.gz FJCUQUITCCMBSW-UHFFFAOYSA-N 1 1 302.758 2.343 20 5 DEBDMO CC[N@H+](CCOCCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336832178 403918253 /nfs/dbraw/zinc/91/82/53/403918253.db2.gz UNIMLVKREVWRJB-UHFFFAOYSA-N 1 1 302.758 2.079 20 5 DEBDMO CC[N@@H+](CCOCCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336832178 403918260 /nfs/dbraw/zinc/91/82/60/403918260.db2.gz UNIMLVKREVWRJB-UHFFFAOYSA-N 1 1 302.758 2.079 20 5 DEBDMO CCC[C@@]1(CO)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000344170188 403956075 /nfs/dbraw/zinc/95/60/75/403956075.db2.gz QOJCNXZCAKXWCO-MRXNPFEDSA-N 1 1 318.377 2.456 20 5 DEBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000344170188 403956084 /nfs/dbraw/zinc/95/60/84/403956084.db2.gz QOJCNXZCAKXWCO-MRXNPFEDSA-N 1 1 318.377 2.456 20 5 DEBDMO CC[C@]1(C)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000344234588 403997649 /nfs/dbraw/zinc/99/76/49/403997649.db2.gz LOAVBYHVENZBBY-GDBMZVCRSA-N 1 1 308.378 2.457 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412084198 404119981 /nfs/dbraw/zinc/11/99/81/404119981.db2.gz NOAPJNFABODCQL-STQMWFEESA-N 1 1 324.377 2.075 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000412126597 404147619 /nfs/dbraw/zinc/14/76/19/404147619.db2.gz FBSCNKLNJGTCSK-DLKVLKDVSA-N 1 1 317.389 2.297 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000341846917 404211779 /nfs/dbraw/zinc/21/17/79/404211779.db2.gz LJTMKNOZIIFDMA-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000341846917 404211788 /nfs/dbraw/zinc/21/17/88/404211788.db2.gz LJTMKNOZIIFDMA-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000344618709 404265218 /nfs/dbraw/zinc/26/52/18/404265218.db2.gz PUHMTVRWEHLFOV-OAHLLOKOSA-N 1 1 319.405 2.374 20 5 DEBDMO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000290710092 404279462 /nfs/dbraw/zinc/27/94/62/404279462.db2.gz WRVFKWXZKYCETF-LLVKDONJSA-N 1 1 309.366 2.151 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000290710092 404279472 /nfs/dbraw/zinc/27/94/72/404279472.db2.gz WRVFKWXZKYCETF-LLVKDONJSA-N 1 1 309.366 2.151 20 5 DEBDMO C[N@@H+](C[C@H](O)COc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000290771221 404305229 /nfs/dbraw/zinc/30/52/29/404305229.db2.gz LPKXAAJISOSFQT-JTQLQIEISA-N 1 1 300.742 2.082 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000296938055 404380362 /nfs/dbraw/zinc/38/03/62/404380362.db2.gz QMNZAUZYXIBHBH-INIZCTEOSA-N 1 1 318.377 2.463 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291741827 404501699 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DEBDMO COc1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)c(F)cc1[N+](=O)[O-] ZINC000351506453 404613700 /nfs/dbraw/zinc/61/37/00/404613700.db2.gz SZSFAFAGTARYBE-SNVBAGLBSA-N 1 1 320.324 2.470 20 5 DEBDMO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000377335152 404836661 /nfs/dbraw/zinc/83/66/61/404836661.db2.gz FVOXKZCAPARPGS-DOMZBBRYSA-N 1 1 313.361 2.460 20 5 DEBDMO C[C@H](O)CCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353608983 404881278 /nfs/dbraw/zinc/88/12/78/404881278.db2.gz SSNOAZQTWUYBQB-WFASDCNBSA-N 1 1 318.377 2.168 20 5 DEBDMO COC[C@@H](C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353497013 404847767 /nfs/dbraw/zinc/84/77/67/404847767.db2.gz NOPMCPVCMWUGMC-WFASDCNBSA-N 1 1 318.377 2.290 20 5 DEBDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000377949637 404852603 /nfs/dbraw/zinc/85/26/03/404852603.db2.gz MGXHXGYERZNWGU-GFCCVEGCSA-N 1 1 316.361 2.326 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])nc(C)n2CC)C1 ZINC000360992135 404871215 /nfs/dbraw/zinc/87/12/15/404871215.db2.gz ZRUDGVHIOIACCK-ZDUSSCGKSA-N 1 1 309.414 2.288 20 5 DEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000354006170 404996610 /nfs/dbraw/zinc/99/66/10/404996610.db2.gz KXFKFKKBIFZFOI-LBPRGKRZSA-N 1 1 323.418 2.240 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000354205825 405096815 /nfs/dbraw/zinc/09/68/15/405096815.db2.gz JGYCJXDIYSPBBA-NWDGAFQWSA-N 1 1 303.362 2.214 20 5 DEBDMO COC[C@@]1(CO)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451939539 405102244 /nfs/dbraw/zinc/10/22/44/405102244.db2.gz WSRFANKFRPLDIH-AWEZNQCLSA-N 1 1 314.769 2.079 20 5 DEBDMO COC[C@@]1(CO)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451939539 405102248 /nfs/dbraw/zinc/10/22/48/405102248.db2.gz WSRFANKFRPLDIH-AWEZNQCLSA-N 1 1 314.769 2.079 20 5 DEBDMO CC[N@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000367715185 405132232 /nfs/dbraw/zinc/13/22/32/405132232.db2.gz HXCMYXXBORGILU-UHFFFAOYSA-N 1 1 307.379 2.132 20 5 DEBDMO CC[N@@H+](C[C@H](C)OC)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361561677 405132822 /nfs/dbraw/zinc/13/28/22/405132822.db2.gz BPMLSRIVBZHWKI-SWLSCSKDSA-N 1 1 321.377 2.057 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000452125223 405185531 /nfs/dbraw/zinc/18/55/31/405185531.db2.gz XNQBNDKDUBJNSR-AWEZNQCLSA-N 1 1 307.394 2.388 20 5 DEBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000354361494 405175274 /nfs/dbraw/zinc/17/52/74/405175274.db2.gz PMNRBIOPZHPIIJ-UHFFFAOYSA-N 1 1 307.325 2.044 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOCC3CCC3)C2)nc1 ZINC000419227427 405230318 /nfs/dbraw/zinc/23/03/18/405230318.db2.gz SNPCMDUTCNZMMW-CQSZACIVSA-N 1 1 320.393 2.293 20 5 DEBDMO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000425987129 405334305 /nfs/dbraw/zinc/33/43/05/405334305.db2.gz IPVHSDOHUMDMSA-UWVGGRQHSA-N 1 1 316.304 2.399 20 5 DEBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000425987129 405334306 /nfs/dbraw/zinc/33/43/06/405334306.db2.gz IPVHSDOHUMDMSA-UWVGGRQHSA-N 1 1 316.304 2.399 20 5 DEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCC[C@H]1O ZINC000426202563 405343324 /nfs/dbraw/zinc/34/33/24/405343324.db2.gz VRJIIOTWMGTYTN-HUUCEWRRSA-N 1 1 322.361 2.197 20 5 DEBDMO CNC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000426347644 405353237 /nfs/dbraw/zinc/35/32/37/405353237.db2.gz VQFHJDYZTGRLFG-BLLLJJGKSA-N 1 1 313.357 2.408 20 5 DEBDMO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000455341848 405398978 /nfs/dbraw/zinc/39/89/78/405398978.db2.gz XQPGXHWZPVRFIU-AOOOYVTPSA-N 1 1 310.329 2.290 20 5 DEBDMO CCn1nccc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000429713695 405444683 /nfs/dbraw/zinc/44/46/83/405444683.db2.gz JKXSTZJKSOPZLL-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO CCn1nccc1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000429713695 405444684 /nfs/dbraw/zinc/44/46/84/405444684.db2.gz JKXSTZJKSOPZLL-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000421360149 405471877 /nfs/dbraw/zinc/47/18/77/405471877.db2.gz IFULULQUBSNJPK-ROCHPLJESA-N 1 1 320.389 2.470 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000421360149 405471887 /nfs/dbraw/zinc/47/18/87/405471887.db2.gz IFULULQUBSNJPK-ROCHPLJESA-N 1 1 320.389 2.470 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000493795033 405561099 /nfs/dbraw/zinc/56/10/99/405561099.db2.gz SVWWJYQSAHDSES-MVGZEHJDSA-N 1 1 317.389 2.456 20 5 DEBDMO Cn1nncc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449501263 405585892 /nfs/dbraw/zinc/58/58/92/405585892.db2.gz PKPRDKMLCVQPJG-CYBMUJFWSA-N 1 1 301.350 2.103 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431774521 405673056 /nfs/dbraw/zinc/67/30/56/405673056.db2.gz YWYIMIQPKGYMKY-CQSZACIVSA-N 1 1 320.393 2.223 20 5 DEBDMO C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CC(C)C1 ZINC000568646554 292357923 /nfs/dbraw/zinc/35/79/23/292357923.db2.gz INWZQWVVLZLNCU-JTQLQIEISA-N 1 1 311.769 2.205 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000457106170 405701331 /nfs/dbraw/zinc/70/13/31/405701331.db2.gz CZRVNYHBVKXODP-LBPRGKRZSA-N 1 1 309.341 2.289 20 5 DEBDMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457093016 405695824 /nfs/dbraw/zinc/69/58/24/405695824.db2.gz XYVBKULSTMLBJC-CQSZACIVSA-N 1 1 305.378 2.458 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000431995427 405708180 /nfs/dbraw/zinc/70/81/80/405708180.db2.gz ZIZQEUSJCWWMBV-UHFFFAOYSA-N 1 1 323.393 2.130 20 5 DEBDMO COC(=O)Cc1ccc(NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000450304609 405824713 /nfs/dbraw/zinc/82/47/13/405824713.db2.gz RPMYTHAXVYEJJI-UHFFFAOYSA-N 1 1 309.366 2.062 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](O)C34CCCC4)nc2c1 ZINC000433033077 405855227 /nfs/dbraw/zinc/85/52/27/405855227.db2.gz TYDJBOQSDPZOAV-CQSZACIVSA-N 1 1 316.361 2.351 20 5 DEBDMO Cc1nc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000450362417 405855788 /nfs/dbraw/zinc/85/57/88/405855788.db2.gz RBQPKALJVDFVOY-CYBMUJFWSA-N 1 1 305.382 2.370 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000531507988 405970598 /nfs/dbraw/zinc/97/05/98/405970598.db2.gz VEVSADSHXFQILW-HNNXBMFYSA-N 1 1 319.405 2.374 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000450950130 405998592 /nfs/dbraw/zinc/99/85/92/405998592.db2.gz LWTOYVSTVAPODR-SNVBAGLBSA-N 1 1 309.395 2.223 20 5 DEBDMO COC(C)(C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000533482272 406147099 /nfs/dbraw/zinc/14/70/99/406147099.db2.gz FMAWMEYREBOWJZ-UHFFFAOYSA-N 1 1 309.366 2.199 20 5 DEBDMO COC(C)(C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000533482272 406147101 /nfs/dbraw/zinc/14/71/01/406147101.db2.gz FMAWMEYREBOWJZ-UHFFFAOYSA-N 1 1 309.366 2.199 20 5 DEBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000519920951 406268182 /nfs/dbraw/zinc/26/81/82/406268182.db2.gz NCBAMIOMSNYCDD-UHFFFAOYSA-N 1 1 322.409 2.126 20 5 DEBDMO CCC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000521065570 406330146 /nfs/dbraw/zinc/33/01/46/406330146.db2.gz ZEYLJURBSPFZPB-UHFFFAOYSA-N 1 1 314.407 2.489 20 5 DEBDMO CCC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000521065570 406330148 /nfs/dbraw/zinc/33/01/48/406330148.db2.gz ZEYLJURBSPFZPB-UHFFFAOYSA-N 1 1 314.407 2.489 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000525670814 406493178 /nfs/dbraw/zinc/49/31/78/406493178.db2.gz KGZOGUSWOKDOFM-CYBMUJFWSA-N 1 1 305.378 2.363 20 5 DEBDMO CC(C)[N@@H+](C)CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000490789177 406493962 /nfs/dbraw/zinc/49/39/62/406493962.db2.gz JMCTWCXAWKPLPL-HJWRWDBZSA-N 1 1 305.378 2.455 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524254727 406443845 /nfs/dbraw/zinc/44/38/45/406443845.db2.gz NSGYUKMLVMCLOC-CYBMUJFWSA-N 1 1 319.405 2.330 20 5 DEBDMO C[N@@H+](CCCN1CCCC1=O)CCc1cccc([N+](=O)[O-])c1 ZINC000548933592 406568629 /nfs/dbraw/zinc/56/86/29/406568629.db2.gz HGTGXWQGDLEIMJ-UHFFFAOYSA-N 1 1 305.378 2.082 20 5 DEBDMO C[N@H+]1CCC[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129600348 196060406 /nfs/dbraw/zinc/06/04/06/196060406.db2.gz YTPAIWSTDMBHMN-OAHLLOKOSA-N 1 1 303.362 2.180 20 5 DEBDMO CC(C)CC[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135310291 196462174 /nfs/dbraw/zinc/46/21/74/196462174.db2.gz UQRJTPSUFADFFV-ZFWWWQNUSA-N 1 1 310.398 2.053 20 5 DEBDMO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000296687060 226124960 /nfs/dbraw/zinc/12/49/60/226124960.db2.gz JESYAVRAZOLGFG-AWEZNQCLSA-N 1 1 319.405 2.390 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000291192849 222210410 /nfs/dbraw/zinc/21/04/10/222210410.db2.gz IZOMOCYOVCBCFS-GFCCVEGCSA-N 1 1 309.366 2.280 20 5 DEBDMO CN(C)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000418119758 229230172 /nfs/dbraw/zinc/23/01/72/229230172.db2.gz YEEYIUBXBJRPQG-UHFFFAOYSA-N 1 1 315.320 2.380 20 5 DEBDMO Cc1c(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423072028 230337551 /nfs/dbraw/zinc/33/75/51/230337551.db2.gz IQOYPSLKQSFHNY-ARFHVFGLSA-N 1 1 319.405 2.150 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000077370141 267375752 /nfs/dbraw/zinc/37/57/52/267375752.db2.gz ZFZOAWWCHUEUOL-BETUJISGSA-N 1 1 321.377 2.341 20 5 DEBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000305212162 268833648 /nfs/dbraw/zinc/83/36/48/268833648.db2.gz GGAVIWYEGZGDGM-IUODEOHRSA-N 1 1 321.377 2.159 20 5 DEBDMO COC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000401724362 269112636 /nfs/dbraw/zinc/11/26/36/269112636.db2.gz CFFBEPFXENALGT-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO CNc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000523741594 269469802 /nfs/dbraw/zinc/46/98/02/269469802.db2.gz SXRAGMJWSSRXIK-GFCCVEGCSA-N 1 1 320.393 2.050 20 5 DEBDMO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000348709770 276143321 /nfs/dbraw/zinc/14/33/21/276143321.db2.gz NGCSZKUBOVNEQO-LBPRGKRZSA-N 1 1 318.377 2.198 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149110912 276173762 /nfs/dbraw/zinc/17/37/62/276173762.db2.gz QZYQAPCUJQTVKB-SNVBAGLBSA-N 1 1 311.769 2.462 20 5 DEBDMO CCCCC[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000362948195 276228771 /nfs/dbraw/zinc/22/87/71/276228771.db2.gz GCBPKKSJKGMFGM-UKRRQHHQSA-N 1 1 310.398 2.197 20 5 DEBDMO C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000183589153 278278445 /nfs/dbraw/zinc/27/84/45/278278445.db2.gz ASZLVCNYUQLSQB-NEPJUHHUSA-N 1 1 321.381 2.232 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)n1 ZINC000365837192 280376762 /nfs/dbraw/zinc/37/67/62/280376762.db2.gz KLLYTPIGZFACTF-RBSFLKMASA-N 1 1 322.409 2.197 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)N1CCN(C)CC1 ZINC000127554238 281860291 /nfs/dbraw/zinc/86/02/91/281860291.db2.gz UGHJSIFYCWLCPS-HUUCEWRRSA-N 1 1 320.437 2.190 20 5 DEBDMO Cc1ccnc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488716018 302272353 /nfs/dbraw/zinc/27/23/53/302272353.db2.gz QICLWMJCLKPDAA-MRVWCRGKSA-N 1 1 304.394 2.465 20 5 DEBDMO CNC(=O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163283577 325705889 /nfs/dbraw/zinc/70/58/89/325705889.db2.gz IWVUSCRSDCCEIC-UHFFFAOYSA-N 1 1 311.769 2.206 20 5 DEBDMO CN1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000574479300 326158267 /nfs/dbraw/zinc/15/82/67/326158267.db2.gz RYOSRBUGGDOGMK-QLFBSQMISA-N 1 1 321.425 2.206 20 5 DEBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@H+](C2CCC2)C1 ZINC000583368710 332363293 /nfs/dbraw/zinc/36/32/93/332363293.db2.gz LVJGDNWELOQYSH-NSHDSACASA-N 1 1 308.357 2.440 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cc(F)c1=O)Cc1ccccc1 ZINC000583322151 337315606 /nfs/dbraw/zinc/31/56/06/337315606.db2.gz VILPEJFRJMXYJH-UHFFFAOYSA-N 1 1 305.309 2.028 20 5 DEBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000118967738 500936337 /nfs/dbraw/zinc/93/63/37/500936337.db2.gz WSPPCBCKWTYNSL-VHSXEESVSA-N 1 1 311.769 2.334 20 5 DEBDMO C[C@H](C[NH+]1CCOCC1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000296633247 534067367 /nfs/dbraw/zinc/06/73/67/534067367.db2.gz VUUWTFXLLSHZEQ-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO CCOCC[N@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000107679778 519909721 /nfs/dbraw/zinc/90/97/21/519909721.db2.gz RUUNPCUPQOZRMA-UHFFFAOYSA-N 1 1 309.366 2.200 20 5 DEBDMO CCOCC[N@@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000107679778 519909724 /nfs/dbraw/zinc/90/97/24/519909724.db2.gz RUUNPCUPQOZRMA-UHFFFAOYSA-N 1 1 309.366 2.200 20 5 DEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000331356935 534460454 /nfs/dbraw/zinc/46/04/54/534460454.db2.gz SOHZWHKOPXQLJL-VXGBXAGGSA-N 1 1 307.350 2.033 20 5 DEBDMO 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DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297421841 529078453 /nfs/dbraw/zinc/07/84/53/529078453.db2.gz YKUCRWQOFVKZSG-SWLSCSKDSA-N 1 1 320.393 2.439 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000456339626 535850818 /nfs/dbraw/zinc/85/08/18/535850818.db2.gz DFXWTXLRQYINJS-CYBMUJFWSA-N 1 1 305.378 2.460 20 5 DEBDMO C[N@H+]1CCCC12CCN(C(=O)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000374877810 536352938 /nfs/dbraw/zinc/35/29/38/536352938.db2.gz GKPDDESMAKPYHB-UHFFFAOYSA-N 1 1 317.389 2.224 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000493140057 536487361 /nfs/dbraw/zinc/48/73/61/536487361.db2.gz LTICJZWBVPAAOQ-ZJIBPLLGSA-N 1 1 315.373 2.161 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000493140056 536487381 /nfs/dbraw/zinc/48/73/81/536487381.db2.gz LTICJZWBVPAAOQ-BILQUBDUSA-N 1 1 315.373 2.161 20 5 DEBDMO C[NH+]1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000310261484 625646397 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ZINC000931835760 694488619 /nfs/dbraw/zinc/48/86/19/694488619.db2.gz JAINOUIECUAANB-HOTGVXAUSA-N 1 1 317.389 2.299 20 5 DEBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000886588996 692120462 /nfs/dbraw/zinc/12/04/62/692120462.db2.gz GDEJYAHJIRUAPZ-HNNXBMFYSA-N 1 1 305.378 2.397 20 5 DEBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000886588996 692120464 /nfs/dbraw/zinc/12/04/64/692120464.db2.gz GDEJYAHJIRUAPZ-HNNXBMFYSA-N 1 1 305.378 2.397 20 5 DEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000886591050 692121556 /nfs/dbraw/zinc/12/15/56/692121556.db2.gz KMPAMEBCOLIACQ-AWEZNQCLSA-N 1 1 320.393 2.101 20 5 DEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000886591050 692121557 /nfs/dbraw/zinc/12/15/57/692121557.db2.gz KMPAMEBCOLIACQ-AWEZNQCLSA-N 1 1 320.393 2.101 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000886793344 692191689 /nfs/dbraw/zinc/19/16/89/692191689.db2.gz HLYNCNLKPLMFTC-LBPRGKRZSA-N 1 1 304.268 2.342 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000886793344 692191691 /nfs/dbraw/zinc/19/16/91/692191691.db2.gz HLYNCNLKPLMFTC-LBPRGKRZSA-N 1 1 304.268 2.342 20 5 DEBDMO Cc1nc([C@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)no1 ZINC000931934998 694510153 /nfs/dbraw/zinc/51/01/53/694510153.db2.gz BZHYKIRAZSOMFI-NSHDSACASA-N 1 1 306.297 2.415 20 5 DEBDMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)no1 ZINC000931934998 694510157 /nfs/dbraw/zinc/51/01/57/694510157.db2.gz BZHYKIRAZSOMFI-NSHDSACASA-N 1 1 306.297 2.415 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886792039 692192072 /nfs/dbraw/zinc/19/20/72/692192072.db2.gz IMUNMMCHOBEJPF-LBPRGKRZSA-N 1 1 304.268 2.342 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886792039 692192075 /nfs/dbraw/zinc/19/20/75/692192075.db2.gz IMUNMMCHOBEJPF-LBPRGKRZSA-N 1 1 304.268 2.342 20 5 DEBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCCF)c([N+](=O)[O-])c1 ZINC000887139788 692290229 /nfs/dbraw/zinc/29/02/29/692290229.db2.gz DWUUAHWFXCJMGS-UHFFFAOYSA-N 1 1 313.329 2.223 20 5 DEBDMO C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887402453 692356052 /nfs/dbraw/zinc/35/60/52/692356052.db2.gz CGAHFCDMTDMZNJ-DOMZBBRYSA-N 1 1 305.378 2.299 20 5 DEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887932026 692483284 /nfs/dbraw/zinc/48/32/84/692483284.db2.gz RKXZMFLONQUDDC-ABAIWWIYSA-N 1 1 323.780 2.272 20 5 DEBDMO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000932100902 694546663 /nfs/dbraw/zinc/54/66/63/694546663.db2.gz HNHYDFZCSJCIMJ-ZYHUDNBSSA-N 1 1 310.325 2.365 20 5 DEBDMO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000932100902 694546667 /nfs/dbraw/zinc/54/66/67/694546667.db2.gz HNHYDFZCSJCIMJ-ZYHUDNBSSA-N 1 1 310.325 2.365 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932354825 694600595 /nfs/dbraw/zinc/60/05/95/694600595.db2.gz YMAQJSRLERPCTL-HZPDHXFCSA-N 1 1 317.389 2.253 20 5 DEBDMO Cc1cc(NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc([N+](=O)[O-])c1 ZINC001344876292 1150848499 /nfs/dbraw/zinc/84/84/99/1150848499.db2.gz SUXSEALNNGNWBX-RISCZKNCSA-N 1 1 304.350 2.071 20 5 DEBDMO COc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001345874693 1150922650 /nfs/dbraw/zinc/92/26/50/1150922650.db2.gz AFYGUWWKDRVEGO-NSHDSACASA-N 1 1 322.365 2.209 20 5 DEBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001350125403 1151326163 /nfs/dbraw/zinc/32/61/63/1151326163.db2.gz UHHQTYWSAMEGKF-STQMWFEESA-N 1 1 322.340 2.482 20 5 DEBDMO C[N@H+]1CC[C@@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001355334422 1152003622 /nfs/dbraw/zinc/00/36/22/1152003622.db2.gz WFDHGPCDRYMVHN-MRVPVSSYSA-N 1 1 307.741 2.307 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC001347603283 1151082937 /nfs/dbraw/zinc/08/29/37/1151082937.db2.gz RQCTYPZUSNMRBT-XDTLVQLUSA-N 1 1 323.780 2.318 20 5 DEBDMO Cc1c(F)cc([N+](=O)[O-])cc1NCC1([NH+]2CCCC2)COC1 ZINC001168450375 782430872 /nfs/dbraw/zinc/43/08/72/782430872.db2.gz NSYXHRBGMWBDNG-UHFFFAOYSA-N 1 1 309.341 2.319 20 5 DEBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001333503498 1150057577 /nfs/dbraw/zinc/05/75/77/1150057577.db2.gz YTJSICSGZBOQDU-GFCCVEGCSA-N 1 1 322.340 2.340 20 5 DEBDMO C[NH+](C)/C=C/c1cc(N2C[C@H]3[C@H](CF)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001167225201 776782322 /nfs/dbraw/zinc/78/23/22/776782322.db2.gz GYSTXFCQOARUPW-HJUBTVGGSA-N 1 1 306.341 2.174 20 5 DEBDMO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000724873862 777506182 /nfs/dbraw/zinc/50/61/82/777506182.db2.gz AGMOPWQYIITEOB-CHWSQXEVSA-N 1 1 300.742 2.142 20 5 DEBDMO CCOC(=O)c1ccc(NC2C[NH+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001168314377 780832228 /nfs/dbraw/zinc/83/22/28/780832228.db2.gz MKRKOCPFQNWIDW-UHFFFAOYSA-N 1 1 307.350 2.276 20 5 DEBDMO O=[N+]([O-])c1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cc2cc[nH]c21 ZINC001168369824 781586631 /nfs/dbraw/zinc/58/66/31/781586631.db2.gz NZBSMFHVZZBEJX-GFCCVEGCSA-N 1 1 316.361 2.351 20 5 DEBDMO O=[N+]([O-])c1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)cc2cc[nH]c21 ZINC001168369824 781586638 /nfs/dbraw/zinc/58/66/38/781586638.db2.gz NZBSMFHVZZBEJX-GFCCVEGCSA-N 1 1 316.361 2.351 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCN(c3ccccn3)CC2)C1 ZINC001169008167 785001017 /nfs/dbraw/zinc/00/10/17/785001017.db2.gz RNXSADQHURXCNX-GJZGRUSLSA-N 1 1 304.394 2.039 20 5 DEBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@]1(O)C(F)(F)F ZINC001169011840 785003455 /nfs/dbraw/zinc/00/34/55/785003455.db2.gz MRVQOEBAPYFEOD-KKOKHZNYSA-N 1 1 310.316 2.067 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)C1 ZINC001169011041 785003665 /nfs/dbraw/zinc/00/36/65/785003665.db2.gz HMTYSNHNHLKDKZ-UTUOFQBUSA-N 1 1 310.316 2.211 20 5 DEBDMO O=C1c2ccccc2[C@@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169011669 785004010 /nfs/dbraw/zinc/00/40/10/785004010.db2.gz MBCJTSHTNKAYPV-APYUEPQZSA-N 1 1 300.358 2.344 20 5 DEBDMO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986902 785004267 /nfs/dbraw/zinc/00/42/67/785004267.db2.gz FYUAAFLKYOZDHL-VYDXJSESSA-N 1 1 320.389 2.196 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](Cc3ccccc3)C2)C1 ZINC001169035876 785011781 /nfs/dbraw/zinc/01/17/81/785011781.db2.gz DUJDOBHZCDFRJE-IKGGRYGDSA-N 1 1 304.390 2.375 20 5 DEBDMO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169022905 785017774 /nfs/dbraw/zinc/01/77/74/785017774.db2.gz NMXYPBCHPMIGGH-YHUYYLMFSA-N 1 1 312.410 2.092 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)C1 ZINC001169023301 785019113 /nfs/dbraw/zinc/01/91/13/785019113.db2.gz FGZZBODTACZGHX-YYIAUSFCSA-N 1 1 324.421 2.092 20 5 DEBDMO CCOCc1noc2c1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169026736 785020296 /nfs/dbraw/zinc/02/02/96/785020296.db2.gz NPXACEIHDNPGAG-NWDGAFQWSA-N 1 1 309.366 2.015 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCCN(c3cccnc3)CC2)C1 ZINC001169046792 785020492 /nfs/dbraw/zinc/02/04/92/785020492.db2.gz NAWGKRNXQDRSTI-LSDHHAIUSA-N 1 1 304.394 2.039 20 5 DEBDMO Cc1ccc(O[C@@H]2CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169057104 785024394 /nfs/dbraw/zinc/02/43/94/785024394.db2.gz UUOMMTKAOUEXAV-SOUVJXGZSA-N 1 1 305.378 2.289 20 5 DEBDMO CC[N@@H+](C)CCC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001109520889 785911094 /nfs/dbraw/zinc/91/10/94/785911094.db2.gz QHYKOYBJSHZTCS-UHFFFAOYSA-N 1 1 322.409 2.197 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170329867 786911152 /nfs/dbraw/zinc/91/11/52/786911152.db2.gz WFMJPQLVFMNIOP-MQIPJXDCSA-N 1 1 308.378 2.237 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@H](C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170355154 786917944 /nfs/dbraw/zinc/91/79/44/786917944.db2.gz VZZGNNBOTLWZMV-RISCZKNCSA-N 1 1 306.362 2.445 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001137492156 788371026 /nfs/dbraw/zinc/37/10/26/788371026.db2.gz MBTAQMJSCBHPDT-GHMZBOCLSA-N 1 1 321.352 2.397 20 5 DEBDMO C[C@H]1COCC[C@H]1Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001170832663 789422938 /nfs/dbraw/zinc/42/29/38/789422938.db2.gz RVZXFJMICNXLJA-SMDDNHRTSA-N 1 1 305.378 2.420 20 5 DEBDMO C[C@H]1COCC[C@H]1Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001170832663 789422943 /nfs/dbraw/zinc/42/29/43/789422943.db2.gz RVZXFJMICNXLJA-SMDDNHRTSA-N 1 1 305.378 2.420 20 5 DEBDMO CCC[N@@H+](C)CCC(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101712728 793335591 /nfs/dbraw/zinc/33/55/91/793335591.db2.gz JTJBNDPKVYLFNE-UHFFFAOYSA-N 1 1 322.409 2.197 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904381 793524141 /nfs/dbraw/zinc/52/41/41/793524141.db2.gz MYZLQJUTHMVBHJ-HIFRSBDPSA-N 1 1 304.346 2.090 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904381 793524144 /nfs/dbraw/zinc/52/41/44/793524144.db2.gz MYZLQJUTHMVBHJ-HIFRSBDPSA-N 1 1 304.346 2.090 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@@H]3COC[C@@H]3C2)c1F ZINC001173180489 793620419 /nfs/dbraw/zinc/62/04/19/793620419.db2.gz LDLOAFPKDMTKOH-UTUOFQBUSA-N 1 1 324.352 2.252 20 5 DEBDMO COCC[N@@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182479 793621500 /nfs/dbraw/zinc/62/15/00/793621500.db2.gz FYOWJSQMEOEZIH-SNVBAGLBSA-N 1 1 300.330 2.252 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@H](O)C2)c1F ZINC001173183163 793622000 /nfs/dbraw/zinc/62/20/00/793622000.db2.gz WWZSMPVRWBXETE-MNOVXSKESA-N 1 1 312.341 2.130 20 5 DEBDMO O=C(NCc1c[nH+]c2n1CCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC001177740393 794739977 /nfs/dbraw/zinc/73/99/77/794739977.db2.gz LFNBYWQVJMINMV-UHFFFAOYSA-N 1 1 320.736 2.321 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C(C)(C)C1 ZINC001178856801 795021054 /nfs/dbraw/zinc/02/10/54/795021054.db2.gz NIIWBZQBERSCJH-AWEZNQCLSA-N 1 1 305.378 2.363 20 5 DEBDMO Cc1ccc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)c(N)c1[N+](=O)[O-] ZINC001179879717 795198020 /nfs/dbraw/zinc/19/80/20/795198020.db2.gz QYCKLMVVURPIAH-LLVKDONJSA-N 1 1 306.366 2.297 20 5 DEBDMO Cc1ccc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)c(N)c1[N+](=O)[O-] ZINC001179879717 795198024 /nfs/dbraw/zinc/19/80/24/795198024.db2.gz QYCKLMVVURPIAH-LLVKDONJSA-N 1 1 306.366 2.297 20 5 DEBDMO Nc1c(F)cccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001181268352 795449176 /nfs/dbraw/zinc/44/91/76/795449176.db2.gz ZIPWREIJGFYOCG-UHFFFAOYSA-N 1 1 315.308 2.482 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC001121293276 795612915 /nfs/dbraw/zinc/61/29/15/795612915.db2.gz YMXKBKDZYZRRLZ-DMDPSCGWSA-N 1 1 323.780 2.318 20 5 DEBDMO CC(C)OC(=O)[C@H](C)Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001155675297 797824463 /nfs/dbraw/zinc/82/44/63/797824463.db2.gz VYRHAFGUNCWHFS-MLRMMBSGSA-N 1 1 322.365 2.274 20 5 DEBDMO Cc1nc(Cl)nc(NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001156380148 797988770 /nfs/dbraw/zinc/98/87/70/797988770.db2.gz FKTOEFVYJIXTQI-JTQLQIEISA-N 1 1 313.789 2.490 20 5 DEBDMO COc1cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC001196781512 798111252 /nfs/dbraw/zinc/11/12/52/798111252.db2.gz CNIMSDPYGWBIBL-YPMHNXCESA-N 1 1 323.368 2.126 20 5 DEBDMO Cc1[nH+]c(N)ccc1CNc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001156974735 798120828 /nfs/dbraw/zinc/12/08/28/798120828.db2.gz SFQZNEUFRPBWSE-UHFFFAOYSA-N 1 1 310.317 2.436 20 5 DEBDMO COc1cc(C)nc(NCc2ccc(N)[nH+]c2C)c1[N+](=O)[O-] ZINC001156980668 798122545 /nfs/dbraw/zinc/12/25/45/798122545.db2.gz MFUFBHGHRTWHTC-UHFFFAOYSA-N 1 1 303.322 2.205 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@@H]21 ZINC001157262615 798172706 /nfs/dbraw/zinc/17/27/06/798172706.db2.gz WODKISFWBFFRPS-ABAIWWIYSA-N 1 1 313.361 2.068 20 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/nfs/dbraw/zinc/60/82/69/799608269.db2.gz UENVYDVWAWYIRV-HUUCEWRRSA-N 1 1 321.421 2.028 20 5 DEBDMO O=C1NCCC2(CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)O1 ZINC000932764365 799926868 /nfs/dbraw/zinc/92/68/68/799926868.db2.gz BHIBVJZEFDMYHP-UHFFFAOYSA-N 1 1 323.324 2.198 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933926134 800217037 /nfs/dbraw/zinc/21/70/37/800217037.db2.gz AKCRUVBYJVLOJE-DAXOMENPSA-N 1 1 317.389 2.156 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000934118334 800266469 /nfs/dbraw/zinc/26/64/69/800266469.db2.gz IAFYDEWKZKVWMR-CHWSQXEVSA-N 1 1 318.333 2.254 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000934118334 800266471 /nfs/dbraw/zinc/26/64/71/800266471.db2.gz IAFYDEWKZKVWMR-CHWSQXEVSA-N 1 1 318.333 2.254 20 5 DEBDMO CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205223483 800322473 /nfs/dbraw/zinc/32/24/73/800322473.db2.gz CFAAEXDEGXMKCO-KSLSASGISA-N 1 1 323.437 2.226 20 5 DEBDMO C[C@@]1(C2CC2)COCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000934479687 800368335 /nfs/dbraw/zinc/36/83/35/800368335.db2.gz BJLOBIUVEVFNNA-INIZCTEOSA-N 1 1 306.362 2.475 20 5 DEBDMO C[C@@]1(C2CC2)COCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000934479687 800368341 /nfs/dbraw/zinc/36/83/41/800368341.db2.gz BJLOBIUVEVFNNA-INIZCTEOSA-N 1 1 306.362 2.475 20 5 DEBDMO CC[N@H+]1CCC[C@@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229364216 801263710 /nfs/dbraw/zinc/26/37/10/801263710.db2.gz HZYWISQYNGYYPK-LLVKDONJSA-N 1 1 318.333 2.107 20 5 DEBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc(Cl)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001229377822 801266846 /nfs/dbraw/zinc/26/68/46/801266846.db2.gz RSUNYQVRXSSORL-PXWWUCIGSA-N 1 1 310.737 2.431 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ccc(Cl)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001229377822 801266848 /nfs/dbraw/zinc/26/68/48/801266848.db2.gz RSUNYQVRXSSORL-PXWWUCIGSA-N 1 1 310.737 2.431 20 5 DEBDMO CC[N@H+]1CC[C@H](Oc2c(C(=O)OC)ccc(C)c2[N+](=O)[O-])C1 ZINC001229903901 801335386 /nfs/dbraw/zinc/33/53/86/801335386.db2.gz RVHWLEKENYSXPI-NSHDSACASA-N 1 1 308.334 2.163 20 5 DEBDMO C[N@H+](CCCNC(=O)CC1CC1)Cc1csc([N+](=O)[O-])c1 ZINC001231139082 801590669 /nfs/dbraw/zinc/59/06/69/801590669.db2.gz PIVNYELUYULGEE-UHFFFAOYSA-N 1 1 311.407 2.395 20 5 DEBDMO C[N@@H+](CCCNC(=O)CC1CC1)Cc1csc([N+](=O)[O-])c1 ZINC001231139082 801590672 /nfs/dbraw/zinc/59/06/72/801590672.db2.gz PIVNYELUYULGEE-UHFFFAOYSA-N 1 1 311.407 2.395 20 5 DEBDMO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C)C2)c1 ZINC001234408287 802370880 /nfs/dbraw/zinc/37/08/80/802370880.db2.gz LONZRTBBNJCCPL-ZDUSSCGKSA-N 1 1 322.361 2.173 20 5 DEBDMO COC(=O)c1cccc(CO[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001223662884 802807178 /nfs/dbraw/zinc/80/71/78/802807178.db2.gz PNUMJYVJKPAFCA-CYBMUJFWSA-N 1 1 322.361 2.381 20 5 DEBDMO O=[N+]([O-])c1ccc(CO[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001224097418 802835777 /nfs/dbraw/zinc/83/57/77/802835777.db2.gz UOYFRDJOSLBGSJ-GFCCVEGCSA-N 1 1 318.289 2.231 20 5 DEBDMO O=[N+]([O-])c1ccc2ncnc(O[C@H]3CCc4[nH+]ccn4C3)c2c1 ZINC001226441475 803108004 /nfs/dbraw/zinc/10/80/04/803108004.db2.gz QTVLJVFGCSSZAK-NSHDSACASA-N 1 1 311.301 2.128 20 5 DEBDMO C[N@@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001226508866 803117270 /nfs/dbraw/zinc/11/72/70/803117270.db2.gz DTVZEEMZKSGLHS-GFCCVEGCSA-N 1 1 302.330 2.457 20 5 DEBDMO C[N@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001226508866 803117275 /nfs/dbraw/zinc/11/72/75/803117275.db2.gz DTVZEEMZKSGLHS-GFCCVEGCSA-N 1 1 302.330 2.457 20 5 DEBDMO C[N@H+]1CCC[C@@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)CC1 ZINC001228242382 803335169 /nfs/dbraw/zinc/33/51/69/803335169.db2.gz NHVWEGCLJJEGEV-LLVKDONJSA-N 1 1 318.333 2.107 20 5 DEBDMO CCN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC001331300891 1149414599 /nfs/dbraw/zinc/41/45/99/1149414599.db2.gz BXBNNHVQVQMFSZ-NSHDSACASA-N 1 1 310.329 2.292 20 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/nfs/dbraw/zinc/22/87/09/1059228709.db2.gz OXLKZQKFECRHDZ-UHFFFAOYSA-N 1 1 321.377 2.161 20 5 DEBDMO C[C@@H](NC(=O)CC[N@H+]1CC[C@@H](F)C1)c1ccc([N+](=O)[O-])cc1 ZINC001471800546 1060303434 /nfs/dbraw/zinc/30/34/34/1060303434.db2.gz KXKIGJAKENYODB-DGCLKSJQSA-N 1 1 309.341 2.206 20 5 DEBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC001473735136 1060718385 /nfs/dbraw/zinc/71/83/85/1060718385.db2.gz RTCJYUAJWOCUAS-MNOVXSKESA-N 1 1 317.349 2.006 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001617912379 1078149587 /nfs/dbraw/zinc/14/95/87/1078149587.db2.gz ADMAFHUYPBPDGS-GFCCVEGCSA-N 1 1 323.368 2.456 20 5 DEBDMO O=C(NC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC=CC1 ZINC001568830621 1065143889 /nfs/dbraw/zinc/14/38/89/1065143889.db2.gz FUZMYCIXMZWHQB-ARJAWSKDSA-N 1 1 321.402 2.385 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC001621569629 1078177904 /nfs/dbraw/zinc/17/79/04/1078177904.db2.gz AQMJJGWXBBHEOD-DRZSPHRISA-N 1 1 316.361 2.166 20 5 DEBDMO O=C(NCC[N@@H+](CC1CCCCCC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267326078 1078766798 /nfs/dbraw/zinc/76/67/98/1078766798.db2.gz PAYYTQJKQLCKHK-HZPDHXFCSA-N 1 1 323.437 2.203 20 5 DEBDMO O=C(NCC[N@H+](CC1CCCCCC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001267326078 1078766802 /nfs/dbraw/zinc/76/68/02/1078766802.db2.gz PAYYTQJKQLCKHK-HZPDHXFCSA-N 1 1 323.437 2.203 20 5 DEBDMO O=C(NCC[N@@H+](CC1CCCCCC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001267326078 1078766808 /nfs/dbraw/zinc/76/68/08/1078766808.db2.gz PAYYTQJKQLCKHK-HZPDHXFCSA-N 1 1 323.437 2.203 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001644455598 1078846209 /nfs/dbraw/zinc/84/62/09/1078846209.db2.gz UGRDXBKQLVHZKO-UHFFFAOYSA-N 1 1 322.752 2.437 20 5 DEBDMO Cc1cc(NC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001520384913 1069130088 /nfs/dbraw/zinc/13/00/88/1069130088.db2.gz WLLKUEHUZFDJEM-ZDUSSCGKSA-N 1 1 306.366 2.461 20 5 DEBDMO 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20 5 DEBDMO Cc1c(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000142310427 355893995 /nfs/dbraw/zinc/89/39/95/355893995.db2.gz MCKBWHCSSVWYQU-ZDUSSCGKSA-N 1 1 303.362 2.214 20 5 DEBDMO COCCO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000179356704 356023481 /nfs/dbraw/zinc/02/34/81/356023481.db2.gz YJRWUQBOWGMYGG-HNNXBMFYSA-N 1 1 324.377 2.231 20 5 DEBDMO COCCO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000179356704 356023482 /nfs/dbraw/zinc/02/34/82/356023482.db2.gz YJRWUQBOWGMYGG-HNNXBMFYSA-N 1 1 324.377 2.231 20 5 DEBDMO C[C@H]([N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000181980292 356102658 /nfs/dbraw/zinc/10/26/58/356102658.db2.gz YNYMSTUCXYJBJP-STQMWFEESA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185222885 356204176 /nfs/dbraw/zinc/20/41/76/356204176.db2.gz GXXALBKZTDUJSR-RYUDHWBXSA-N 1 1 323.368 2.295 20 5 DEBDMO C[N@H+]1CC[C@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 ZINC000350059472 356502679 /nfs/dbraw/zinc/50/26/79/356502679.db2.gz XZXKQNGOYAXOFA-NSHDSACASA-N 1 1 317.349 2.052 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000584700407 357292970 /nfs/dbraw/zinc/29/29/70/357292970.db2.gz KDQRZEOAAGCCJW-DOMZBBRYSA-N 1 1 302.378 2.443 20 5 DEBDMO [NH3+]Cc1noc(-c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000592357557 357866252 /nfs/dbraw/zinc/86/62/52/357866252.db2.gz XCVUIAIDKAQZDN-UHFFFAOYSA-N 1 1 318.211 2.045 20 5 DEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C1CC1 ZINC000593128869 358017269 /nfs/dbraw/zinc/01/72/69/358017269.db2.gz KMOKNJGIWGZWSK-UONOGXRCSA-N 1 1 322.336 2.365 20 5 DEBDMO CC(C)[N@@H+](C)CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593404377 358070915 /nfs/dbraw/zinc/07/09/15/358070915.db2.gz UFNKAHHQBBVMNW-UHFFFAOYSA-N 1 1 311.357 2.123 20 5 DEBDMO CC(C)[N@H+]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593447277 358080564 /nfs/dbraw/zinc/08/05/64/358080564.db2.gz ADHGYYGZQWKYNQ-UHFFFAOYSA-N 1 1 323.368 2.219 20 5 DEBDMO [NH3+]C[C@]12CCC[C@H]1CN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000593733949 358132600 /nfs/dbraw/zinc/13/26/00/358132600.db2.gz OYCGENKKNKUEBQ-BBRMVZONSA-N 1 1 305.378 2.034 20 5 DEBDMO CCOc1cc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC000593995207 358186143 /nfs/dbraw/zinc/18/61/43/358186143.db2.gz QFANJMQYTYWCLV-CYBMUJFWSA-N 1 1 321.377 2.046 20 5 DEBDMO COc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000237362849 202244181 /nfs/dbraw/zinc/24/41/81/202244181.db2.gz WRFVYONHPXZJGJ-KBPBESRZSA-N 1 1 305.378 2.320 20 5 DEBDMO C[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000594516471 358288462 /nfs/dbraw/zinc/28/84/62/358288462.db2.gz ZVTSTEQQBRFUBI-HIFRSBDPSA-N 1 1 319.405 2.499 20 5 DEBDMO C[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000180601861 199183388 /nfs/dbraw/zinc/18/33/88/199183388.db2.gz FSMKSEPRKFZQPN-UHFFFAOYSA-N 1 1 312.757 2.418 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000594713307 358323488 /nfs/dbraw/zinc/32/34/88/358323488.db2.gz CLUNKQLKNQWIIM-BJJXKVORSA-N 1 1 306.362 2.209 20 5 DEBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595678648 358519341 /nfs/dbraw/zinc/51/93/41/358519341.db2.gz SBKXTRMYVMSQGG-XJKSGUPXSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595680305 358521191 /nfs/dbraw/zinc/52/11/91/358521191.db2.gz ZKQVNFIIOVBYJW-ABAIWWIYSA-N 1 1 318.377 2.454 20 5 DEBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595680305 358521192 /nfs/dbraw/zinc/52/11/92/358521192.db2.gz ZKQVNFIIOVBYJW-ABAIWWIYSA-N 1 1 318.377 2.454 20 5 DEBDMO NC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595306891 358418975 /nfs/dbraw/zinc/41/89/75/358418975.db2.gz PPPXZZXMZPNZIH-LLVKDONJSA-N 1 1 309.341 2.211 20 5 DEBDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595306891 358418979 /nfs/dbraw/zinc/41/89/79/358418979.db2.gz PPPXZZXMZPNZIH-LLVKDONJSA-N 1 1 309.341 2.211 20 5 DEBDMO CCOCCO[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595394336 358439289 /nfs/dbraw/zinc/43/92/89/358439289.db2.gz HEQTYGSHPKHPDK-AWEZNQCLSA-N 1 1 312.341 2.361 20 5 DEBDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595394336 358439291 /nfs/dbraw/zinc/43/92/91/358439291.db2.gz HEQTYGSHPKHPDK-AWEZNQCLSA-N 1 1 312.341 2.361 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H]4C[C@@H]4C3)o2)cc1 ZINC000595805727 358552656 /nfs/dbraw/zinc/55/26/56/358552656.db2.gz BLCBADFCILPANS-VXGBXAGGSA-N 1 1 300.318 2.487 20 5 DEBDMO COc1cc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])cc1F ZINC000595879800 358570469 /nfs/dbraw/zinc/57/04/69/358570469.db2.gz XFTUTDDEFOFZNU-ZUZCIYMTSA-N 1 1 312.341 2.193 20 5 DEBDMO COc1cc(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])cc1F ZINC000595879800 358570472 /nfs/dbraw/zinc/57/04/72/358570472.db2.gz XFTUTDDEFOFZNU-ZUZCIYMTSA-N 1 1 312.341 2.193 20 5 DEBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000595907536 358577293 /nfs/dbraw/zinc/57/72/93/358577293.db2.gz AEDFWUWXDCESIC-STQMWFEESA-N 1 1 308.378 2.312 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596163396 358627266 /nfs/dbraw/zinc/62/72/66/358627266.db2.gz TVEMESOUCBRZAT-LLVKDONJSA-N 1 1 312.801 2.455 20 5 DEBDMO C[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000596241973 358650119 /nfs/dbraw/zinc/65/01/19/358650119.db2.gz ZNBRPAGMJSYYCE-LLVKDONJSA-N 1 1 306.366 2.006 20 5 DEBDMO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185603605 199869512 /nfs/dbraw/zinc/86/95/12/199869512.db2.gz VSXZUBPKRZZKBM-IVMMDQJWSA-N 1 1 308.378 2.455 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597606146 358961540 /nfs/dbraw/zinc/96/15/40/358961540.db2.gz VFFWEXADBWVSTF-AWEZNQCLSA-N 1 1 323.368 2.219 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000597855544 359022318 /nfs/dbraw/zinc/02/23/18/359022318.db2.gz SLOCMBSNADVTME-AWEZNQCLSA-N 1 1 319.405 2.374 20 5 DEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000597714274 358986293 /nfs/dbraw/zinc/98/62/93/358986293.db2.gz HSXPNALMNVLOGH-QGZVFWFLSA-N 1 1 317.389 2.082 20 5 DEBDMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000598645318 359272864 /nfs/dbraw/zinc/27/28/64/359272864.db2.gz CQGNXGSUJHTABY-ZYHUDNBSSA-N 1 1 312.341 2.193 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000598645318 359272865 /nfs/dbraw/zinc/27/28/65/359272865.db2.gz CQGNXGSUJHTABY-ZYHUDNBSSA-N 1 1 312.341 2.193 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598646335 359274968 /nfs/dbraw/zinc/27/49/68/359274968.db2.gz RLHKOMLEYYOKDG-ZIAGYGMSSA-N 1 1 308.378 2.314 20 5 DEBDMO O=[N+]([O-])c1sccc1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000601103603 359920696 /nfs/dbraw/zinc/92/06/96/359920696.db2.gz ZGZCCWMQWAZGGS-LBPRGKRZSA-N 1 1 311.407 2.347 20 5 DEBDMO Cn1c(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)nnc1C1CC1 ZINC000601138057 359937715 /nfs/dbraw/zinc/93/77/15/359937715.db2.gz NJSGZFOBXSNAIH-UHFFFAOYSA-N 1 1 324.344 2.183 20 5 DEBDMO C[S@@](=O)C1(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000601159688 359947231 /nfs/dbraw/zinc/94/72/31/359947231.db2.gz MBCRJBZXBBGKNK-JOCHJYFZSA-N 1 1 319.386 2.278 20 5 DEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000602071801 360255700 /nfs/dbraw/zinc/25/57/00/360255700.db2.gz GPFYEHBIWFRWOC-OAHLLOKOSA-N 1 1 303.362 2.228 20 5 DEBDMO CC(C)c1[nH+]ccn1CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602085278 360259671 /nfs/dbraw/zinc/25/96/71/360259671.db2.gz WTTUPZYQCBYVGN-UHFFFAOYSA-N 1 1 316.361 2.274 20 5 DEBDMO C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[N@@H+](C)C1CC1 ZINC000602545855 360426069 /nfs/dbraw/zinc/42/60/69/360426069.db2.gz XYMOHDKSSRZIFN-SNVBAGLBSA-N 1 1 304.350 2.308 20 5 DEBDMO O=[N+]([O-])c1sc(C[NH2+]C/C=C/CO)cc1Br ZINC000602711334 360511229 /nfs/dbraw/zinc/51/12/29/360511229.db2.gz RHHBYHCPLJMTDU-OWOJBTEDSA-N 1 1 307.169 2.057 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)C2(CCCCC2)C1 ZINC000602836660 360580640 /nfs/dbraw/zinc/58/06/40/360580640.db2.gz QFYOKWQUHWKXPI-UHFFFAOYSA-N 1 1 321.425 2.050 20 5 DEBDMO O=[N+]([O-])c1cccc(Cn2cc(C[NH+]3CCCCC3)nn2)c1 ZINC000603159248 360728915 /nfs/dbraw/zinc/72/89/15/360728915.db2.gz DTAHTEAEMKPUKN-UHFFFAOYSA-N 1 1 301.350 2.221 20 5 DEBDMO O=[N+]([O-])c1ccc(CCn2cc(C[NH+]3CCCCC3)nn2)cc1 ZINC000603195467 360741359 /nfs/dbraw/zinc/74/13/59/360741359.db2.gz KMFVDEQJTXAUDG-UHFFFAOYSA-N 1 1 315.377 2.415 20 5 DEBDMO O=[N+]([O-])c1ncccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000603840965 360863511 /nfs/dbraw/zinc/86/35/11/360863511.db2.gz GOTBCCFEFVTRGM-UHFFFAOYSA-N 1 1 304.375 2.374 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000271918779 209322140 /nfs/dbraw/zinc/32/21/40/209322140.db2.gz JVFQJOZYSWVECD-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)CC(C)(C)C ZINC000609483448 361314698 /nfs/dbraw/zinc/31/46/98/361314698.db2.gz CXPWOQPOYQRXKQ-UHFFFAOYSA-N 1 1 323.393 2.182 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609848921 361344214 /nfs/dbraw/zinc/34/42/14/361344214.db2.gz PSAXMWSNJWRYJA-STQMWFEESA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CCO)C1 ZINC000609848921 361344217 /nfs/dbraw/zinc/34/42/17/361344217.db2.gz PSAXMWSNJWRYJA-STQMWFEESA-N 1 1 321.377 2.016 20 5 DEBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000609631758 361331432 /nfs/dbraw/zinc/33/14/32/361331432.db2.gz UVVNTXYMHZVXEB-CYBMUJFWSA-N 1 1 321.377 2.200 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610762481 361462071 /nfs/dbraw/zinc/46/20/71/361462071.db2.gz LHHNYNXQZPHQPR-AAEUAGOBSA-N 1 1 317.345 2.377 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000610990977 361505451 /nfs/dbraw/zinc/50/54/51/361505451.db2.gz WXZUUSXREAEWIN-GFCCVEGCSA-N 1 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CO[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000281581709 216398920 /nfs/dbraw/zinc/39/89/20/216398920.db2.gz DGLQRDMDVYXDQU-WFASDCNBSA-N 1 1 321.377 2.057 20 5 DEBDMO CO[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000281581709 216398924 /nfs/dbraw/zinc/39/89/24/216398924.db2.gz DGLQRDMDVYXDQU-WFASDCNBSA-N 1 1 321.377 2.057 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCc2ccccc2CC1 ZINC000451709658 243345397 /nfs/dbraw/zinc/34/53/97/243345397.db2.gz KPWVJECZSIZQLS-UHFFFAOYSA-N 1 1 300.362 2.319 20 5 DEBDMO C[C@@H](NC[C@@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453264070 245026124 /nfs/dbraw/zinc/02/61/24/245026124.db2.gz UPDDEVNGBXEHAH-CJNGLKHVSA-N 1 1 307.394 2.092 20 5 DEBDMO C[C@@H](NC[C@@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453264070 245026132 /nfs/dbraw/zinc/02/61/32/245026132.db2.gz UPDDEVNGBXEHAH-CJNGLKHVSA-N 1 1 307.394 2.092 20 5 DEBDMO Cc1c([C@@H](C)NC[C@@H]2CCC[N@@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000453271400 245040902 /nfs/dbraw/zinc/04/09/02/245040902.db2.gz UFXNXUGGSNONFK-CABCVRRESA-N 1 1 321.421 2.401 20 5 DEBDMO Cc1c([C@@H](C)NC[C@@H]2CCC[N@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000453271400 245040915 /nfs/dbraw/zinc/04/09/15/245040915.db2.gz UFXNXUGGSNONFK-CABCVRRESA-N 1 1 321.421 2.401 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(C)(C)O ZINC000265059093 204372125 /nfs/dbraw/zinc/37/21/25/204372125.db2.gz SAYIXTKKJZTJJP-UHFFFAOYSA-N 1 1 323.393 2.325 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288233590 220034296 /nfs/dbraw/zinc/03/42/96/220034296.db2.gz DIUNTCMCDCISAR-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288233590 220034299 /nfs/dbraw/zinc/03/42/99/220034299.db2.gz DIUNTCMCDCISAR-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CCCC[N@@H+](CCCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000271777552 209206515 /nfs/dbraw/zinc/20/65/15/209206515.db2.gz RQTDVKVMXLOICB-UHFFFAOYSA-N 1 1 323.393 2.042 20 5 DEBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454639640 246012931 /nfs/dbraw/zinc/01/29/31/246012931.db2.gz IXSLTOGMKUFPJX-DYEKYZERSA-N 1 1 320.393 2.438 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000456364895 247130963 /nfs/dbraw/zinc/13/09/63/247130963.db2.gz YPHBEWNRYLWDQH-CQSZACIVSA-N 1 1 305.378 2.460 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331486 296240636 /nfs/dbraw/zinc/24/06/36/296240636.db2.gz QVUGKRUESJEDBP-UONOGXRCSA-N 1 1 319.405 2.343 20 5 DEBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000267945738 206353266 /nfs/dbraw/zinc/35/32/66/206353266.db2.gz BOIKRJPHWWWPJE-ZDUSSCGKSA-N 1 1 320.393 2.311 20 5 DEBDMO Cc1c(CC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000458206133 248204923 /nfs/dbraw/zinc/20/49/23/248204923.db2.gz IKZOHGRMEIBDTD-AWEZNQCLSA-N 1 1 319.405 2.294 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492323954 249040360 /nfs/dbraw/zinc/04/03/60/249040360.db2.gz PBFFNZXJJKHGGN-WUOSCTTQSA-N 1 1 303.362 2.159 20 5 DEBDMO C[N@H+]1CC[C@@H]2OCCN(C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000284466559 218039688 /nfs/dbraw/zinc/03/96/88/218039688.db2.gz AVPCWMFPVDILBE-XQTSXYSPSA-N 1 1 317.389 2.013 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000284781319 218175261 /nfs/dbraw/zinc/17/52/61/218175261.db2.gz NJXBPQWGVJWQQP-OAGGEKHMSA-N 1 1 306.362 2.272 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2Cc3ccccc3C2)c1 ZINC000106305448 194195088 /nfs/dbraw/zinc/19/50/88/194195088.db2.gz JXSFTQKACHLZRJ-MRXNPFEDSA-N 1 1 314.341 2.350 20 5 DEBDMO COC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCO1 ZINC000285204671 218332038 /nfs/dbraw/zinc/33/20/38/218332038.db2.gz FOSWMOZCZFCCJN-UONOGXRCSA-N 1 1 316.304 2.157 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000288601090 220277260 /nfs/dbraw/zinc/27/72/60/220277260.db2.gz WJHNNZUEAHYCHE-LBPRGKRZSA-N 1 1 323.418 2.240 20 5 DEBDMO CC[N@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000288601090 220277264 /nfs/dbraw/zinc/27/72/64/220277264.db2.gz WJHNNZUEAHYCHE-LBPRGKRZSA-N 1 1 323.418 2.240 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000110995075 194378610 /nfs/dbraw/zinc/37/86/10/194378610.db2.gz HJZVONDYERCTNV-GFCCVEGCSA-N 1 1 321.377 2.208 20 5 DEBDMO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269192984 207312646 /nfs/dbraw/zinc/31/26/46/207312646.db2.gz OZLZUJANRRKSJZ-CYBMUJFWSA-N 1 1 321.377 2.295 20 5 DEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269192984 207312650 /nfs/dbraw/zinc/31/26/50/207312650.db2.gz OZLZUJANRRKSJZ-CYBMUJFWSA-N 1 1 321.377 2.295 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000288620543 220295340 /nfs/dbraw/zinc/29/53/40/220295340.db2.gz XQWITHVFKBEWRV-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000288620543 220295344 /nfs/dbraw/zinc/29/53/44/220295344.db2.gz XQWITHVFKBEWRV-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO C[C@H]1COc2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000272956993 210342227 /nfs/dbraw/zinc/34/22/27/210342227.db2.gz NCLAYTUJKIOLMX-LBPRGKRZSA-N 1 1 302.334 2.074 20 5 DEBDMO C[C@H]1COc2ccccc2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000272956993 210342230 /nfs/dbraw/zinc/34/22/30/210342230.db2.gz NCLAYTUJKIOLMX-LBPRGKRZSA-N 1 1 302.334 2.074 20 5 DEBDMO CCOCC[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157518245 197193155 /nfs/dbraw/zinc/19/31/55/197193155.db2.gz JXJBKRQETNTRRW-GFCCVEGCSA-N 1 1 309.366 2.280 20 5 DEBDMO CCOCC[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157518245 197193156 /nfs/dbraw/zinc/19/31/56/197193156.db2.gz JXJBKRQETNTRRW-GFCCVEGCSA-N 1 1 309.366 2.280 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000157066412 197159235 /nfs/dbraw/zinc/15/92/35/197159235.db2.gz ZSANCRJDKRDTHS-GDBMZVCRSA-N 1 1 317.389 2.080 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000120831758 195247004 /nfs/dbraw/zinc/24/70/04/195247004.db2.gz LDFDZYCQKMGWHQ-HOMMJUPQSA-N 1 1 317.389 2.407 20 5 DEBDMO COCCCOCC[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000271570365 209021208 /nfs/dbraw/zinc/02/12/08/209021208.db2.gz OOKAWGGUYVBPKM-UHFFFAOYSA-N 1 1 312.366 2.088 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1COC[C@H]1O ZINC000289982038 221358464 /nfs/dbraw/zinc/35/84/64/221358464.db2.gz ZVOMDEAFJMRPKN-HUUCEWRRSA-N 1 1 318.329 2.046 20 5 DEBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000120952457 195270550 /nfs/dbraw/zinc/27/05/50/195270550.db2.gz LBYBLZVVBYOIMN-QWHCGFSZSA-N 1 1 308.382 2.071 20 5 DEBDMO C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000121026727 195283028 /nfs/dbraw/zinc/28/30/28/195283028.db2.gz GPKUODFCKXWIJE-HUUCEWRRSA-N 1 1 320.437 2.129 20 5 DEBDMO C[C@@H](NC(=O)N1CC[N@@H+](C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000355425350 133025851 /nfs/dbraw/zinc/02/58/51/133025851.db2.gz SXYLXGXBMZHDMN-CHWSQXEVSA-N 1 1 320.393 2.391 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+](CCO)[C@@H]2CCCSC2)cs1 ZINC000355539003 133032565 /nfs/dbraw/zinc/03/25/65/133032565.db2.gz ZSXVYPLFEVUMQO-LLVKDONJSA-N 1 1 302.421 2.346 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)[C@@H]2CCCSC2)cs1 ZINC000355539003 133032566 /nfs/dbraw/zinc/03/25/66/133032566.db2.gz ZSXVYPLFEVUMQO-LLVKDONJSA-N 1 1 302.421 2.346 20 5 DEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000355614789 133037598 /nfs/dbraw/zinc/03/75/98/133037598.db2.gz WYOSWGPNDYJZQE-LBPRGKRZSA-N 1 1 322.361 2.379 20 5 DEBDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000377660806 133339642 /nfs/dbraw/zinc/33/96/42/133339642.db2.gz ZYNABBRNNFJDMA-HNNXBMFYSA-N 1 1 323.349 2.343 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000377890439 133349870 /nfs/dbraw/zinc/34/98/70/133349870.db2.gz VGZTXGZADLTHMQ-CYBMUJFWSA-N 1 1 316.361 2.326 20 5 DEBDMO Cc1cc(N2CCC[C@H](c3[nH+]ccn3C)C2)ncc1[N+](=O)[O-] ZINC000373061007 133376110 /nfs/dbraw/zinc/37/61/10/133376110.db2.gz VFFVGVFVQFPSFM-LBPRGKRZSA-N 1 1 301.350 2.416 20 5 DEBDMO Cc1ocnc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564850991 292115442 /nfs/dbraw/zinc/11/54/42/292115442.db2.gz FDACKCXHMPLZPL-UHFFFAOYSA-N 1 1 304.306 2.010 20 5 DEBDMO C[N@@H+]1CCC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248118409 145148815 /nfs/dbraw/zinc/14/88/15/145148815.db2.gz NAJLAQSNVKWMPF-WMLDXEAASA-N 1 1 319.405 2.390 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248118409 145148816 /nfs/dbraw/zinc/14/88/16/145148816.db2.gz NAJLAQSNVKWMPF-WMLDXEAASA-N 1 1 319.405 2.390 20 5 DEBDMO Cc1ccc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000321505608 145377088 /nfs/dbraw/zinc/37/70/88/145377088.db2.gz BGSRVDBMRWURSV-CWRNSKLLSA-N 1 1 319.405 2.417 20 5 DEBDMO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000321505608 145377090 /nfs/dbraw/zinc/37/70/90/145377090.db2.gz BGSRVDBMRWURSV-CWRNSKLLSA-N 1 1 319.405 2.417 20 5 DEBDMO Cc1c(NC(=O)CCN2CC[C@@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000565158440 292138851 /nfs/dbraw/zinc/13/88/51/292138851.db2.gz UNWBXQGPXTXDQA-DGCLKSJQSA-N 1 1 320.393 2.043 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)OC)[C@H]1C ZINC000346657894 146118682 /nfs/dbraw/zinc/11/86/82/146118682.db2.gz HFHRFAQOUSHUGB-RISCZKNCSA-N 1 1 322.361 2.377 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOC3CCC3)C2)nc1 ZINC000346993242 146175669 /nfs/dbraw/zinc/17/56/69/146175669.db2.gz ISDOZYWBCLXIML-GFCCVEGCSA-N 1 1 306.366 2.045 20 5 DEBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1C(=O)NC)C(C)C ZINC000357278897 147079115 /nfs/dbraw/zinc/07/91/15/147079115.db2.gz PLNCHTJSGQBTID-UHFFFAOYSA-N 1 1 308.382 2.097 20 5 DEBDMO Cc1c([C@@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000127556102 401739941 /nfs/dbraw/zinc/73/99/41/401739941.db2.gz IZQSSTZAVCHAGK-UKRRQHHQSA-N 1 1 320.437 2.190 20 5 DEBDMO CC1(C)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000112703053 401755329 /nfs/dbraw/zinc/75/53/29/401755329.db2.gz VGENMIYHLDZSJF-AWEZNQCLSA-N 1 1 308.378 2.457 20 5 DEBDMO CO[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000076344532 401791880 /nfs/dbraw/zinc/79/18/80/401791880.db2.gz ZILHLAUZOFRQPT-CYBMUJFWSA-N 1 1 318.333 2.256 20 5 DEBDMO CO[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000076344532 401791882 /nfs/dbraw/zinc/79/18/82/401791882.db2.gz ZILHLAUZOFRQPT-CYBMUJFWSA-N 1 1 318.333 2.256 20 5 DEBDMO Cc1cccc(N(C)CC[N@@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000338706128 404488959 /nfs/dbraw/zinc/48/89/59/404488959.db2.gz GQJSOJNXHNOAKC-UHFFFAOYSA-N 1 1 307.394 2.450 20 5 DEBDMO Cc1cccc(N(C)CC[N@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000338706128 404488965 /nfs/dbraw/zinc/48/89/65/404488965.db2.gz GQJSOJNXHNOAKC-UHFFFAOYSA-N 1 1 307.394 2.450 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N(C)CC(C)(C)C[NH+]2CCOCC2)n1 ZINC000130177967 401821855 /nfs/dbraw/zinc/82/18/55/401821855.db2.gz RPKGFKZBGBYTJI-UHFFFAOYSA-N 1 1 322.409 2.093 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000130273947 401825330 /nfs/dbraw/zinc/82/53/30/401825330.db2.gz IHQPHAYGNGLCFL-SECBINFHSA-N 1 1 315.171 2.258 20 5 DEBDMO C[N@@H+](CCCO)C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000115519514 401830634 /nfs/dbraw/zinc/83/06/34/401830634.db2.gz YAXUNPLYPUKEJQ-UHFFFAOYSA-N 1 1 311.357 2.017 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087116735 401927860 /nfs/dbraw/zinc/92/78/60/401927860.db2.gz OGSNRJBLCVPDDR-AWEZNQCLSA-N 1 1 319.405 2.376 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117804052 401884943 /nfs/dbraw/zinc/88/49/43/401884943.db2.gz ROYTYSZJEJAHBN-UHFFFAOYSA-N 1 1 313.785 2.247 20 5 DEBDMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000118968239 401915688 /nfs/dbraw/zinc/91/56/88/401915688.db2.gz ABSDUHHGWOVNGB-JTQLQIEISA-N 1 1 311.769 2.478 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000046955558 401976176 /nfs/dbraw/zinc/97/61/76/401976176.db2.gz ULXXICIFXRLFBI-LLVKDONJSA-N 1 1 322.365 2.067 20 5 DEBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@@H]1C ZINC000120049859 401976257 /nfs/dbraw/zinc/97/62/57/401976257.db2.gz QFDRVNNBUCFYGJ-AEGPPILISA-N 1 1 310.398 2.053 20 5 DEBDMO CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000053245439 402053799 /nfs/dbraw/zinc/05/37/99/402053799.db2.gz WMWKOGPSKXMMFG-NSHDSACASA-N 1 1 311.769 2.414 20 5 DEBDMO C[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000063302735 402112141 /nfs/dbraw/zinc/11/21/41/402112141.db2.gz FSPJRJKMILSQKG-ZFWWWQNUSA-N 1 1 308.378 2.457 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000066124421 402128619 /nfs/dbraw/zinc/12/86/19/402128619.db2.gz DTORSGAMZNWTES-NSHDSACASA-N 1 1 309.366 2.064 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000153959208 402182980 /nfs/dbraw/zinc/18/29/80/402182980.db2.gz MYTVVUSTPSSONM-FSNWXROXSA-N 1 1 317.389 2.407 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000107693196 402238106 /nfs/dbraw/zinc/23/81/06/402238106.db2.gz CBHDVSSLTODFSV-CYBMUJFWSA-N 1 1 321.377 2.200 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000107893238 402243231 /nfs/dbraw/zinc/24/32/31/402243231.db2.gz SOFLWLSJWCINKK-NSHDSACASA-N 1 1 323.418 2.388 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000154339567 402207111 /nfs/dbraw/zinc/20/71/11/402207111.db2.gz VTVCDMOJLOMJDW-ABAIWWIYSA-N 1 1 321.352 2.290 20 5 DEBDMO COc1ccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)cc1 ZINC000176197198 402289516 /nfs/dbraw/zinc/28/95/16/402289516.db2.gz JTGLKBQWKHPGRN-UHFFFAOYSA-N 1 1 316.361 2.465 20 5 DEBDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000160330294 402340776 /nfs/dbraw/zinc/34/07/76/402340776.db2.gz YFJVHEHFKUAPBB-CQSZACIVSA-N 1 1 315.329 2.305 20 5 DEBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000160330294 402340779 /nfs/dbraw/zinc/34/07/79/402340779.db2.gz YFJVHEHFKUAPBB-CQSZACIVSA-N 1 1 315.329 2.305 20 5 DEBDMO Cc1cc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177088849 402368529 /nfs/dbraw/zinc/36/85/29/402368529.db2.gz RYNJDMVLAFIABM-YPMHNXCESA-N 1 1 303.362 2.258 20 5 DEBDMO Cc1c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000177198858 402380584 /nfs/dbraw/zinc/38/05/84/402380584.db2.gz DWJXUEWIHPUHOY-PWSUYJOCSA-N 1 1 303.362 2.258 20 5 DEBDMO O=[N+]([O-])c1cccnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161877365 402402386 /nfs/dbraw/zinc/40/23/86/402402386.db2.gz USDIWZHXJDEIHP-OCCSQVGLSA-N 1 1 302.378 2.443 20 5 DEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000177806738 402437953 /nfs/dbraw/zinc/43/79/53/402437953.db2.gz KOJBLKKTIMLYNA-OLZOCXBDSA-N 1 1 321.352 2.433 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000163198159 402444215 /nfs/dbraw/zinc/44/42/15/402444215.db2.gz BQDSAXHXWAMLNY-LBPRGKRZSA-N 1 1 306.366 2.367 20 5 DEBDMO Cc1c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000164614430 402465680 /nfs/dbraw/zinc/46/56/80/402465680.db2.gz KASANQNTZZAJHL-CZUORRHYSA-N 1 1 317.389 2.460 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000178566687 402512464 /nfs/dbraw/zinc/51/24/64/402512464.db2.gz MRSKEIQGBKQQDE-JQWIXIFHSA-N 1 1 309.391 2.213 20 5 DEBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170774588 402523383 /nfs/dbraw/zinc/52/33/83/402523383.db2.gz TUBWOKWFPIDIQP-LBPRGKRZSA-N 1 1 307.350 2.034 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255437870 402687758 /nfs/dbraw/zinc/68/77/58/402687758.db2.gz GKUYHFPSGLBBLG-CDNLZTBQSA-N 1 1 317.389 2.408 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255491954 402689005 /nfs/dbraw/zinc/68/90/05/402689005.db2.gz FIRCXFYAKXPAML-CMUBDUJZSA-N 1 1 317.389 2.408 20 5 DEBDMO CCN(CC)C(=O)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255885457 402698231 /nfs/dbraw/zinc/69/82/31/402698231.db2.gz SAELNCZJAFMGTR-NTMALXAHSA-N 1 1 305.378 2.408 20 5 DEBDMO CCN(CC)C(=O)C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255885457 402698234 /nfs/dbraw/zinc/69/82/34/402698234.db2.gz SAELNCZJAFMGTR-NTMALXAHSA-N 1 1 305.378 2.408 20 5 DEBDMO COCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000263776864 402802885 /nfs/dbraw/zinc/80/28/85/402802885.db2.gz LBFWOVOUCNUBNK-UHFFFAOYSA-N 1 1 304.350 2.133 20 5 DEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000194910569 402821940 /nfs/dbraw/zinc/82/19/40/402821940.db2.gz HMEMKSZDGALOHD-ZDUSSCGKSA-N 1 1 320.393 2.148 20 5 DEBDMO CC(C)(C)c1cnc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000279090120 402903171 /nfs/dbraw/zinc/90/31/71/402903171.db2.gz ICXMLFADUWBWBS-UHFFFAOYSA-N 1 1 309.395 2.335 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1cnccn1 ZINC000271296934 402854872 /nfs/dbraw/zinc/85/48/72/402854872.db2.gz DLIZCXXIAVBRRO-UHFFFAOYSA-N 1 1 316.361 2.458 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCc1cnccn1 ZINC000271296934 402854873 /nfs/dbraw/zinc/85/48/73/402854873.db2.gz DLIZCXXIAVBRRO-UHFFFAOYSA-N 1 1 316.361 2.458 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000278285179 402862649 /nfs/dbraw/zinc/86/26/49/402862649.db2.gz BNHWAAQVKBSFKK-LBPRGKRZSA-N 1 1 303.362 2.283 20 5 DEBDMO CCN1CC[NH+]([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C)c3)C2)CC1 ZINC000264412289 402875953 /nfs/dbraw/zinc/87/59/53/402875953.db2.gz OWDDAJSLFSBYGD-MRXNPFEDSA-N 1 1 318.421 2.119 20 5 DEBDMO Cc1ccnc(NC[C@@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000265175155 402898366 /nfs/dbraw/zinc/89/83/66/402898366.db2.gz HTSYLBDDUXFPKB-ZDUSSCGKSA-N 1 1 308.382 2.067 20 5 DEBDMO COCCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272478429 402941979 /nfs/dbraw/zinc/94/19/79/402941979.db2.gz BNXMHZBERZWGBW-AWEZNQCLSA-N 1 1 304.350 2.044 20 5 DEBDMO Cc1nc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n[nH]1 ZINC000272520534 402947892 /nfs/dbraw/zinc/94/78/92/402947892.db2.gz HTVDAFIFUGXEHY-CQSZACIVSA-N 1 1 315.377 2.175 20 5 DEBDMO Cc1nnc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]1 ZINC000272520534 402947895 /nfs/dbraw/zinc/94/78/95/402947895.db2.gz HTVDAFIFUGXEHY-CQSZACIVSA-N 1 1 315.377 2.175 20 5 DEBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272593917 402956615 /nfs/dbraw/zinc/95/66/15/402956615.db2.gz PTSBVULYFZBQCP-YPMHNXCESA-N 1 1 317.345 2.453 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272656078 402959249 /nfs/dbraw/zinc/95/92/49/402959249.db2.gz QRBHJSXOXDOKEP-QMTHXVAHSA-N 1 1 323.780 2.414 20 5 DEBDMO CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000279363222 402934912 /nfs/dbraw/zinc/93/49/12/402934912.db2.gz RDPUWXIJGIKGNK-WBMJQRKESA-N 1 1 321.377 2.423 20 5 DEBDMO CO[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000279363222 402934914 /nfs/dbraw/zinc/93/49/14/402934914.db2.gz RDPUWXIJGIKGNK-WBMJQRKESA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H](CO)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000280361333 402992087 /nfs/dbraw/zinc/99/20/87/402992087.db2.gz JUANGLSWXLZJDM-LRDDRELGSA-N 1 1 308.378 2.111 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2[nH+]ccn2C)CC1 ZINC000266882500 402996603 /nfs/dbraw/zinc/99/66/03/402996603.db2.gz AMPVLRDIJZXQGF-CYBMUJFWSA-N 1 1 315.377 2.212 20 5 DEBDMO COc1ccccc1[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266953526 403002528 /nfs/dbraw/zinc/00/25/28/403002528.db2.gz VGKZQEOLWWZCMT-CYBMUJFWSA-N 1 1 316.361 2.289 20 5 DEBDMO COCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267029606 403009327 /nfs/dbraw/zinc/00/93/27/403009327.db2.gz MGAYKAOUOBAOND-UHFFFAOYSA-N 1 1 312.341 2.361 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000280259003 402980691 /nfs/dbraw/zinc/98/06/91/402980691.db2.gz OFUZGOFYHDWLOX-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000268143626 403054109 /nfs/dbraw/zinc/05/41/09/403054109.db2.gz DSJZPNIPQBSGPG-OHEJIBKASA-N 1 1 315.373 2.207 20 5 DEBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268518149 403090904 /nfs/dbraw/zinc/09/09/04/403090904.db2.gz WBWUMLWWXKKKOC-ZDUSSCGKSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268518149 403090906 /nfs/dbraw/zinc/09/09/06/403090906.db2.gz WBWUMLWWXKKKOC-ZDUSSCGKSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268518149 403090908 /nfs/dbraw/zinc/09/09/08/403090908.db2.gz WBWUMLWWXKKKOC-ZDUSSCGKSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1nc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000268518149 403090909 /nfs/dbraw/zinc/09/09/09/403090909.db2.gz WBWUMLWWXKKKOC-ZDUSSCGKSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000268518149 403090912 /nfs/dbraw/zinc/09/09/12/403090912.db2.gz WBWUMLWWXKKKOC-ZDUSSCGKSA-N 1 1 301.350 2.401 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000275455724 403102626 /nfs/dbraw/zinc/10/26/26/403102626.db2.gz YFXCVAJPRGXEQR-GFCCVEGCSA-N 1 1 304.394 2.341 20 5 DEBDMO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000268581640 403096287 /nfs/dbraw/zinc/09/62/87/403096287.db2.gz SBRHRTCHZUBKSV-UHFFFAOYSA-N 1 1 309.366 2.016 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000282121983 403124493 /nfs/dbraw/zinc/12/44/93/403124493.db2.gz QQYVGWCWCCPHJL-CHWSQXEVSA-N 1 1 321.377 2.423 20 5 DEBDMO Cc1cc(N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275823823 403126184 /nfs/dbraw/zinc/12/61/84/403126184.db2.gz NIPRXBDKVJCWRO-ZDUSSCGKSA-N 1 1 307.394 2.185 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)CC2(C)C)c1F ZINC000283795571 403223889 /nfs/dbraw/zinc/22/38/89/403223889.db2.gz AEWAHCNZKUBWDM-UHFFFAOYSA-N 1 1 309.341 2.209 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C)CC2(C)C)c1F ZINC000283795571 403223890 /nfs/dbraw/zinc/22/38/90/403223890.db2.gz AEWAHCNZKUBWDM-UHFFFAOYSA-N 1 1 309.341 2.209 20 5 DEBDMO CC(C)[N@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000283792395 403223988 /nfs/dbraw/zinc/22/39/88/403223988.db2.gz UFUWSHCBKMPILJ-UHFFFAOYSA-N 1 1 316.785 2.468 20 5 DEBDMO CC(C)[N@@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000283792395 403223990 /nfs/dbraw/zinc/22/39/90/403223990.db2.gz UFUWSHCBKMPILJ-UHFFFAOYSA-N 1 1 316.785 2.468 20 5 DEBDMO O=C(CC[N@H+]1CCOC[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000283165071 403177093 /nfs/dbraw/zinc/17/70/93/403177093.db2.gz DDFUZCKTYWKAGT-OAHLLOKOSA-N 1 1 319.361 2.034 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000277648179 403240955 /nfs/dbraw/zinc/24/09/55/403240955.db2.gz USSDHPNPDYDAGD-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284081617 403243298 /nfs/dbraw/zinc/24/32/98/403243298.db2.gz LLTXJIHXOICCHG-ZWNOBZJWSA-N 1 1 309.322 2.238 20 5 DEBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284081617 403243300 /nfs/dbraw/zinc/24/33/00/403243300.db2.gz LLTXJIHXOICCHG-ZWNOBZJWSA-N 1 1 309.322 2.238 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CC1 ZINC000342920559 403397102 /nfs/dbraw/zinc/39/71/02/403397102.db2.gz KLGQUSZHTCKRST-UHFFFAOYSA-N 1 1 316.361 2.290 20 5 DEBDMO CCc1nocc1C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293362236 403452339 /nfs/dbraw/zinc/45/23/39/403452339.db2.gz IKWXPFBCYRODIH-HNNXBMFYSA-N 1 1 305.334 2.311 20 5 DEBDMO CCc1nocc1C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293362236 403452343 /nfs/dbraw/zinc/45/23/43/403452343.db2.gz IKWXPFBCYRODIH-HNNXBMFYSA-N 1 1 305.334 2.311 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000345903326 403527933 /nfs/dbraw/zinc/52/79/33/403527933.db2.gz JTFKLEXBHWWUQC-RYUDHWBXSA-N 1 1 321.377 2.158 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000332341976 403555828 /nfs/dbraw/zinc/55/58/28/403555828.db2.gz SIVGCKCUCQJAFP-UHFFFAOYSA-N 1 1 320.393 2.140 20 5 DEBDMO COc1ccc(NC(=O)CC[N@@H+](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000299244376 403553845 /nfs/dbraw/zinc/55/38/45/403553845.db2.gz KGFCLOKOUREFLB-UHFFFAOYSA-N 1 1 307.350 2.416 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000332221366 403519336 /nfs/dbraw/zinc/51/93/36/403519336.db2.gz ARMUQRUKISKHGW-MNOVXSKESA-N 1 1 316.361 2.289 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1C ZINC000332225112 403521499 /nfs/dbraw/zinc/52/14/99/403521499.db2.gz BOSKUBGNNKNMOR-QWRGUYRKSA-N 1 1 316.361 2.289 20 5 DEBDMO CC[C@@H](C)[N@@H+](CCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000287246147 403558826 /nfs/dbraw/zinc/55/88/26/403558826.db2.gz GOVCZBMCVYDYPH-GFCCVEGCSA-N 1 1 323.393 2.325 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346099720 403573715 /nfs/dbraw/zinc/57/37/15/403573715.db2.gz HTNUVGXECLGYPN-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000293974185 403613856 /nfs/dbraw/zinc/61/38/56/403613856.db2.gz UYMMBAXVHPSTKL-OAHLLOKOSA-N 1 1 323.780 2.416 20 5 DEBDMO C[C@H]1C[C@H](C)[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000343529271 403624984 /nfs/dbraw/zinc/62/49/84/403624984.db2.gz MWYUMKRQRQXYAD-RYUDHWBXSA-N 1 1 312.391 2.099 20 5 DEBDMO C[C@H]1C[C@H](C)[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000343529271 403624988 /nfs/dbraw/zinc/62/49/88/403624988.db2.gz MWYUMKRQRQXYAD-RYUDHWBXSA-N 1 1 312.391 2.099 20 5 DEBDMO Cc1cc(NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000294143522 403658544 /nfs/dbraw/zinc/65/85/44/403658544.db2.gz GSZIOVJTDXSTPJ-TXEJJXNPSA-N 1 1 306.366 2.460 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCN1CCOCC1 ZINC000347332732 403668008 /nfs/dbraw/zinc/66/80/08/403668008.db2.gz HGRKLGRGQNAYCA-NTCAYCPXSA-N 1 1 319.405 2.262 20 5 DEBDMO Cc1cc[nH+]c(N2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)c1 ZINC000301715619 403668523 /nfs/dbraw/zinc/66/85/23/403668523.db2.gz MRLOEKSOBOGCAW-UHFFFAOYSA-N 1 1 313.361 2.328 20 5 DEBDMO O=C(C[NH+]1CCC(CF)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295098938 403759092 /nfs/dbraw/zinc/75/90/92/403759092.db2.gz GWDJFNLNJFRNSW-UHFFFAOYSA-N 1 1 321.352 2.165 20 5 DEBDMO CC(C)C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343912734 403788283 /nfs/dbraw/zinc/78/82/83/403788283.db2.gz UAKPKZZOGPXCGR-UHFFFAOYSA-N 1 1 307.350 2.481 20 5 DEBDMO CC(C)(O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411395074 403843916 /nfs/dbraw/zinc/84/39/16/403843916.db2.gz CFRATOATXHHMFI-AWEZNQCLSA-N 1 1 321.377 2.159 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000305174836 403862897 /nfs/dbraw/zinc/86/28/97/403862897.db2.gz LEMQYBPJZJXUOH-OAHLLOKOSA-N 1 1 306.362 2.273 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000305174836 403862906 /nfs/dbraw/zinc/86/29/06/403862906.db2.gz LEMQYBPJZJXUOH-OAHLLOKOSA-N 1 1 306.362 2.273 20 5 DEBDMO Cc1cccc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295377986 403891469 /nfs/dbraw/zinc/89/14/69/403891469.db2.gz PIKFUQJBLCMRIL-GFCCVEGCSA-N 1 1 317.389 2.460 20 5 DEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000289426263 403959006 /nfs/dbraw/zinc/95/90/06/403959006.db2.gz NEXHHQONZQFVPD-CYBMUJFWSA-N 1 1 303.362 2.316 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305670034 403909053 /nfs/dbraw/zinc/90/90/53/403909053.db2.gz WJMOWTBHMZTLAJ-FRRDWIJNSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305670034 403909055 /nfs/dbraw/zinc/90/90/55/403909055.db2.gz WJMOWTBHMZTLAJ-FRRDWIJNSA-N 1 1 321.377 2.015 20 5 DEBDMO CNC(=O)c1ccc(NC[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000322422149 404084500 /nfs/dbraw/zinc/08/45/00/404084500.db2.gz ZMAOFTUDEINXOI-GFCCVEGCSA-N 1 1 320.393 2.097 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCSC[C@@H]1CCO ZINC000355094599 404213330 /nfs/dbraw/zinc/21/33/30/404213330.db2.gz ZTMQFGVCCNSDJC-MFBWXBCUSA-N 1 1 308.403 2.408 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCSC[C@@H]1CCO ZINC000355094599 404213335 /nfs/dbraw/zinc/21/33/35/404213335.db2.gz ZTMQFGVCCNSDJC-MFBWXBCUSA-N 1 1 308.403 2.408 20 5 DEBDMO O=C1CC[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN1 ZINC000296377989 404220654 /nfs/dbraw/zinc/22/06/54/404220654.db2.gz TXPWFRSTPKQRQE-CQSZACIVSA-N 1 1 317.389 2.476 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000352219439 404222913 /nfs/dbraw/zinc/22/29/13/404222913.db2.gz CZXCGYMILDNDBL-CYBMUJFWSA-N 1 1 321.377 2.343 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412228858 404199822 /nfs/dbraw/zinc/19/98/22/404199822.db2.gz GQSZDYFMODNBMR-JKSUJKDBSA-N 1 1 315.373 2.076 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000290693736 404275235 /nfs/dbraw/zinc/27/52/35/404275235.db2.gz VFSLLXHUHRTSQP-CYBMUJFWSA-N 1 1 323.393 2.210 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000349980184 404283393 /nfs/dbraw/zinc/28/33/93/404283393.db2.gz ZAFWINOSUORFGG-INIZCTEOSA-N 1 1 303.362 2.005 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000341969569 404285014 /nfs/dbraw/zinc/28/50/14/404285014.db2.gz MVBGRMLJQUIBNG-INIZCTEOSA-N 1 1 319.361 2.097 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@]12CCOC2 ZINC000341969569 404285021 /nfs/dbraw/zinc/28/50/21/404285021.db2.gz MVBGRMLJQUIBNG-INIZCTEOSA-N 1 1 319.361 2.097 20 5 DEBDMO CCc1nn(C)c(N2CCC[N@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000364296716 404338850 /nfs/dbraw/zinc/33/88/50/404338850.db2.gz DLRLOHHJYQIFGQ-UHFFFAOYSA-N 1 1 321.425 2.345 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000344705394 404318287 /nfs/dbraw/zinc/31/82/87/404318287.db2.gz MNTIMEPSYYKTDG-AWEZNQCLSA-N 1 1 321.377 2.151 20 5 DEBDMO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000356321032 404447118 /nfs/dbraw/zinc/44/71/18/404447118.db2.gz FWQPVPOUIBTOQQ-RYUDHWBXSA-N 1 1 321.377 2.293 20 5 DEBDMO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000356321032 404447119 /nfs/dbraw/zinc/44/71/19/404447119.db2.gz FWQPVPOUIBTOQQ-RYUDHWBXSA-N 1 1 321.377 2.293 20 5 DEBDMO C[N@@H+](CCC(F)(F)F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342349424 404524424 /nfs/dbraw/zinc/52/44/24/404524424.db2.gz WYJFMFSNSDVGMG-JTQLQIEISA-N 1 1 322.283 2.219 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000342550331 404646087 /nfs/dbraw/zinc/64/60/87/404646087.db2.gz XFXOOSZVWUQHKN-GFCCVEGCSA-N 1 1 320.393 2.084 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342569548 404655753 /nfs/dbraw/zinc/65/57/53/404655753.db2.gz MPDRQVKUDNKZON-SWLSCSKDSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000356841699 404705957 /nfs/dbraw/zinc/70/59/57/404705957.db2.gz GPGJVZTUGUXYHL-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000356841699 404705959 /nfs/dbraw/zinc/70/59/59/404705959.db2.gz GPGJVZTUGUXYHL-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330589968 404694574 /nfs/dbraw/zinc/69/45/74/404694574.db2.gz URQBILBJFIUIGZ-RYUDHWBXSA-N 1 1 320.393 2.393 20 5 DEBDMO CO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000374674704 404710797 /nfs/dbraw/zinc/71/07/97/404710797.db2.gz CYHVKFFZZPHWRK-HNNXBMFYSA-N 1 1 322.361 2.462 20 5 DEBDMO COC[C@H](C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353496128 404847910 /nfs/dbraw/zinc/84/79/10/404847910.db2.gz KYAQUCDSZMQEMQ-IUODEOHRSA-N 1 1 318.377 2.290 20 5 DEBDMO CC[C@@H](CCO)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353526565 404857142 /nfs/dbraw/zinc/85/71/42/404857142.db2.gz BDRGBMXOJFXAHB-DZGCQCFKSA-N 1 1 318.377 2.168 20 5 DEBDMO C[C@H](C[C@H](C)O)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353682559 404917957 /nfs/dbraw/zinc/91/79/57/404917957.db2.gz OGIGEKADKZFTBG-TYNCELHUSA-N 1 1 318.377 2.167 20 5 DEBDMO COC[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000451925604 405095632 /nfs/dbraw/zinc/09/56/32/405095632.db2.gz LBFJUMWRPNUDJM-AWEZNQCLSA-N 1 1 314.769 2.079 20 5 DEBDMO COC[C@@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000451925604 405095638 /nfs/dbraw/zinc/09/56/38/405095638.db2.gz LBFJUMWRPNUDJM-AWEZNQCLSA-N 1 1 314.769 2.079 20 5 DEBDMO COc1ccnc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000424312572 405066373 /nfs/dbraw/zinc/06/63/73/405066373.db2.gz WUQDIGAMSSXYPJ-NSHDSACASA-N 1 1 302.334 2.114 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)C[N@@H+]1C ZINC000408073046 405106477 /nfs/dbraw/zinc/10/64/77/405106477.db2.gz SQLAWLGZQYGJSM-MNOVXSKESA-N 1 1 316.361 2.241 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)C[N@H+]1C ZINC000408073046 405106481 /nfs/dbraw/zinc/10/64/81/405106481.db2.gz SQLAWLGZQYGJSM-MNOVXSKESA-N 1 1 316.361 2.241 20 5 DEBDMO COC[C@H]1CCCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000452043964 405138209 /nfs/dbraw/zinc/13/82/09/405138209.db2.gz VKPKLNQMJWVNNZ-CYBMUJFWSA-N 1 1 324.377 2.483 20 5 DEBDMO COC[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000452038264 405136742 /nfs/dbraw/zinc/13/67/42/405136742.db2.gz MLEMIEGSFDULBN-OAHLLOKOSA-N 1 1 321.377 2.059 20 5 DEBDMO COC[C@H]1CCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000452038264 405136749 /nfs/dbraw/zinc/13/67/49/405136749.db2.gz MLEMIEGSFDULBN-OAHLLOKOSA-N 1 1 321.377 2.059 20 5 DEBDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCC2 ZINC000453046651 405279505 /nfs/dbraw/zinc/27/95/05/405279505.db2.gz YEGVZBVSNNYJBS-HUUCEWRRSA-N 1 1 322.409 2.053 20 5 DEBDMO Cc1cccc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425057109 405239240 /nfs/dbraw/zinc/23/92/40/405239240.db2.gz LUHICMSGWMVUAN-GXTWGEPZSA-N 1 1 303.362 2.069 20 5 DEBDMO C[C@H]1[C@@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000419375142 405245102 /nfs/dbraw/zinc/24/51/02/405245102.db2.gz QZNFZQKZIZFBMU-JHJVBQTASA-N 1 1 317.389 2.460 20 5 DEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000439683110 405288731 /nfs/dbraw/zinc/28/87/31/405288731.db2.gz GCMNVOYJJVAFEW-ZDUSSCGKSA-N 1 1 322.409 2.174 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331483 405322213 /nfs/dbraw/zinc/32/22/13/405322213.db2.gz QVUGKRUESJEDBP-KGLIPLIRSA-N 1 1 319.405 2.343 20 5 DEBDMO CN(C(=O)C[N@H+]1CC[C@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000426461740 405361566 /nfs/dbraw/zinc/36/15/66/405361566.db2.gz TUFFXRMHNYURLJ-DOMZBBRYSA-N 1 1 303.362 2.432 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493335381 405536390 /nfs/dbraw/zinc/53/63/90/405536390.db2.gz LEILRMRKTASKLL-OWNNVSBGSA-N 1 1 321.352 2.300 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000421781295 405645133 /nfs/dbraw/zinc/64/51/33/405645133.db2.gz AGJDPNFMZFRTHQ-SWLSCSKDSA-N 1 1 317.389 2.424 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000530369773 405790810 /nfs/dbraw/zinc/79/08/10/405790810.db2.gz MILJSUHKCLNZLY-UHFFFAOYSA-N 1 1 309.414 2.430 20 5 DEBDMO COc1ccc(OCC[N@@H+](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000531104941 405908888 /nfs/dbraw/zinc/90/88/88/405908888.db2.gz WDXMTQWOJHCYLJ-UHFFFAOYSA-N 1 1 310.350 2.093 20 5 DEBDMO CC(C)[NH+]1CC(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000457714110 405965548 /nfs/dbraw/zinc/96/55/48/405965548.db2.gz BUHRIMIOZLIEOB-SNVBAGLBSA-N 1 1 309.341 2.046 20 5 DEBDMO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000497247138 406037159 /nfs/dbraw/zinc/03/71/59/406037159.db2.gz RSWDSKOTRVOMPG-LLVKDONJSA-N 1 1 323.324 2.008 20 5 DEBDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000497247138 406037162 /nfs/dbraw/zinc/03/71/62/406037162.db2.gz RSWDSKOTRVOMPG-LLVKDONJSA-N 1 1 323.324 2.008 20 5 DEBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000466931970 406095295 /nfs/dbraw/zinc/09/52/95/406095295.db2.gz CNAPFQSLBITRMV-UMVBOHGHSA-N 1 1 308.378 2.455 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CCOCC1 ZINC000532986694 406112514 /nfs/dbraw/zinc/11/25/14/406112514.db2.gz VNJUSPJSOSEUFY-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCCC[C@H]1O)CCO2 ZINC000567740277 406131683 /nfs/dbraw/zinc/13/16/83/406131683.db2.gz RQDMUFWQJGLXFQ-IUODEOHRSA-N 1 1 306.362 2.340 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000520214809 406273870 /nfs/dbraw/zinc/27/38/70/406273870.db2.gz CAIYDVKFMXFIOE-ZDUSSCGKSA-N 1 1 305.378 2.378 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000520214809 406273872 /nfs/dbraw/zinc/27/38/72/406273872.db2.gz CAIYDVKFMXFIOE-ZDUSSCGKSA-N 1 1 305.378 2.378 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491275788 406558372 /nfs/dbraw/zinc/55/83/72/406558372.db2.gz DZNBZBIYDHHELB-DANTVBBOSA-N 1 1 317.389 2.455 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491275132 406559059 /nfs/dbraw/zinc/55/90/59/406559059.db2.gz BNBZDPMHYNRRJD-IDTUSYRASA-N 1 1 317.389 2.455 20 5 DEBDMO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000491564432 406624096 /nfs/dbraw/zinc/62/40/96/406624096.db2.gz WZKQJJQSTSQTNM-NHEDYWLLSA-N 1 1 319.336 2.100 20 5 DEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491829033 406739512 /nfs/dbraw/zinc/73/95/12/406739512.db2.gz WRNAYQCGRZWARK-UJZCVKTISA-N 1 1 303.362 2.161 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000491908835 406773835 /nfs/dbraw/zinc/77/38/35/406773835.db2.gz YBNFPLSDDGAJGA-PFBXESSKSA-N 1 1 303.362 2.207 20 5 DEBDMO C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297482704 227228192 /nfs/dbraw/zinc/22/81/92/227228192.db2.gz DXXHKZNRNWCWJG-LBPRGKRZSA-N 1 1 320.393 2.391 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)c2nonc21 ZINC000299577867 229226855 /nfs/dbraw/zinc/22/68/55/229226855.db2.gz SOWFGTUQCQZSEI-UHFFFAOYSA-N 1 1 314.305 2.238 20 5 DEBDMO C[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000422625817 230158381 /nfs/dbraw/zinc/15/83/81/230158381.db2.gz COWQMRIZSNAOPU-MCIONIFRSA-N 1 1 307.394 2.279 20 5 DEBDMO C[C@@H]1C[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000422625817 230158387 /nfs/dbraw/zinc/15/83/87/230158387.db2.gz COWQMRIZSNAOPU-MCIONIFRSA-N 1 1 307.394 2.279 20 5 DEBDMO C[C@@H]1C[C@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000422625816 230158978 /nfs/dbraw/zinc/15/89/78/230158978.db2.gz COWQMRIZSNAOPU-HZSPNIEDSA-N 1 1 307.394 2.279 20 5 DEBDMO C[C@@H]1C[C@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000422625816 230158982 /nfs/dbraw/zinc/15/89/82/230158982.db2.gz COWQMRIZSNAOPU-HZSPNIEDSA-N 1 1 307.394 2.279 20 5 DEBDMO CC(C)Oc1nc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000566477303 424910351 /nfs/dbraw/zinc/91/03/51/424910351.db2.gz AXHCNCBKGUPOOX-OLZOCXBDSA-N 1 1 320.393 2.816 20 5 DEBDMO CC(C)Oc1nc(NC[C@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000569590698 424924045 /nfs/dbraw/zinc/92/40/45/424924045.db2.gz ORVKQRJYSZGGHV-NSHDSACASA-N 1 1 308.382 2.672 20 5 DEBDMO C[C@@H](c1nccc(N)n1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000571698613 424932647 /nfs/dbraw/zinc/93/26/47/424932647.db2.gz ULMGDNSGTALXQN-NSHDSACASA-N 1 1 301.350 2.203 20 5 DEBDMO C[C@@H](c1nccc(N)n1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000571698613 424932650 /nfs/dbraw/zinc/93/26/50/424932650.db2.gz ULMGDNSGTALXQN-NSHDSACASA-N 1 1 301.350 2.203 20 5 DEBDMO CCC[N@H+]1CC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347404454 425011120 /nfs/dbraw/zinc/01/11/20/425011120.db2.gz WOSVZSSITFGQKV-GFCCVEGCSA-N 1 1 315.377 2.682 20 5 DEBDMO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000450451015 425074436 /nfs/dbraw/zinc/07/44/36/425074436.db2.gz IHTQTRXZFACIJH-GFCCVEGCSA-N 1 1 309.329 2.766 20 5 DEBDMO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000334059609 269013237 /nfs/dbraw/zinc/01/32/37/269013237.db2.gz AUSVFLOLGRMPIF-RISCZKNCSA-N 1 1 305.378 2.370 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(NCCc2cn3c([nH+]2)CCCC3)n1 ZINC000360034963 269047271 /nfs/dbraw/zinc/04/72/71/269047271.db2.gz GOXHFSMRXZRSJO-UHFFFAOYSA-N 1 1 301.350 2.486 20 5 DEBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)c2ccccc2C1 ZINC000505413864 269310678 /nfs/dbraw/zinc/31/06/78/269310678.db2.gz IIGDLKXPNBXIQG-UHFFFAOYSA-N 1 1 300.318 2.015 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)c2ccccc2C1 ZINC000505413864 269310680 /nfs/dbraw/zinc/31/06/80/269310680.db2.gz IIGDLKXPNBXIQG-UHFFFAOYSA-N 1 1 300.318 2.015 20 5 DEBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000343060020 275034332 /nfs/dbraw/zinc/03/43/32/275034332.db2.gz ZVWADCLZLVRTJH-QMMMGPOBSA-N 1 1 316.346 2.223 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420629794 277040597 /nfs/dbraw/zinc/04/05/97/277040597.db2.gz RCANDTYKLXOVOT-ZDUSSCGKSA-N 1 1 320.393 2.226 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CC[C@H]21 ZINC000268830223 277085122 /nfs/dbraw/zinc/08/51/22/277085122.db2.gz MEFORXURZZVHNG-WDEREUQCSA-N 1 1 321.406 2.225 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000276966198 277156341 /nfs/dbraw/zinc/15/63/41/277156341.db2.gz DYIIPMXXCWNLPD-WDEREUQCSA-N 1 1 308.357 2.237 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000356873800 279101305 /nfs/dbraw/zinc/10/13/05/279101305.db2.gz KMUOTAPKXNSPBQ-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000356873800 279101306 /nfs/dbraw/zinc/10/13/06/279101306.db2.gz KMUOTAPKXNSPBQ-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO Cc1nn(C)c(N[C@@H]2C[N@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000366760804 279200870 /nfs/dbraw/zinc/20/08/70/279200870.db2.gz QDSNNXPVFZZYLJ-CYBMUJFWSA-N 1 1 301.350 2.235 20 5 DEBDMO Cc1nn(C)c(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000366760804 279200873 /nfs/dbraw/zinc/20/08/73/279200873.db2.gz QDSNNXPVFZZYLJ-CYBMUJFWSA-N 1 1 301.350 2.235 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1N1CCC([N@@H+](C)CCCO)CC1 ZINC000115519810 281259008 /nfs/dbraw/zinc/25/90/08/281259008.db2.gz ZQMVIJINRSBYNW-UHFFFAOYSA-N 1 1 307.394 2.186 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000134403564 282041312 /nfs/dbraw/zinc/04/13/12/282041312.db2.gz BCHSOSWIPVMVCX-CYBMUJFWSA-N 1 1 323.393 2.181 20 5 DEBDMO C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000582938835 337219872 /nfs/dbraw/zinc/21/98/72/337219872.db2.gz VPWFIAYBTQGWGK-LBPRGKRZSA-N 1 1 305.378 2.251 20 5 DEBDMO CC(=O)NCC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000583264116 337292987 /nfs/dbraw/zinc/29/29/87/337292987.db2.gz KRAVQFBSIOSXPQ-UHFFFAOYSA-N 1 1 317.345 2.423 20 5 DEBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000338426744 520583612 /nfs/dbraw/zinc/58/36/12/520583612.db2.gz SZWVXGHDNNESNX-CYBMUJFWSA-N 1 1 322.409 2.318 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1O ZINC000337355693 522681451 /nfs/dbraw/zinc/68/14/51/522681451.db2.gz CAZWIKJPDYTBBK-LSDHHAIUSA-N 1 1 321.377 2.159 20 5 DEBDMO O=C1CC[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1 ZINC000296810354 534774427 /nfs/dbraw/zinc/77/44/27/534774427.db2.gz QAIFFHTYHGLMMN-CYBMUJFWSA-N 1 1 317.389 2.476 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245498170 524900725 /nfs/dbraw/zinc/90/07/25/524900725.db2.gz VNYODAOVPCMNEV-BXUZGUMPSA-N 1 1 306.366 2.399 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000107693220 524906617 /nfs/dbraw/zinc/90/66/17/524906617.db2.gz BKRBGCYHKLGOEO-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000120215706 527408628 /nfs/dbraw/zinc/40/86/28/527408628.db2.gz CRTYZEKRLXJWQU-UHFFFAOYSA-N 1 1 320.378 2.335 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000192652657 527834325 /nfs/dbraw/zinc/83/43/25/527834325.db2.gz PBHFZWIPXBJFOG-GFCCVEGCSA-N 1 1 321.377 2.017 20 5 DEBDMO CCOc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000429335395 528310928 /nfs/dbraw/zinc/31/09/28/528310928.db2.gz OTBIMNYCOPJVTQ-UHFFFAOYSA-N 1 1 317.349 2.043 20 5 DEBDMO Cc1nc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001327741325 1148635251 /nfs/dbraw/zinc/63/52/51/1148635251.db2.gz MTNVHSMSTILZQP-CYBMUJFWSA-N 1 1 305.382 2.227 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2noc([C@H]3C[N@H+]4CCC[C@H]4CO3)n2)c1 ZINC000923774592 625472211 /nfs/dbraw/zinc/47/22/11/625472211.db2.gz ZWKGNKLXWZGOMU-QWHCGFSZSA-N 1 1 316.317 2.181 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121254087 622580891 /nfs/dbraw/zinc/58/08/91/622580891.db2.gz WDPKVQNOPBHSKL-MRXNPFEDSA-N 1 1 316.361 2.323 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000891195534 623686488 /nfs/dbraw/zinc/68/64/88/623686488.db2.gz VOMJRKIYUYINNL-CYBMUJFWSA-N 1 1 305.378 2.378 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000891195534 623686491 /nfs/dbraw/zinc/68/64/91/623686491.db2.gz VOMJRKIYUYINNL-CYBMUJFWSA-N 1 1 305.378 2.378 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCOC[C@H]2CC2CC2)cc1 ZINC000933209107 624118870 /nfs/dbraw/zinc/11/88/70/624118870.db2.gz BHSWZGXQFYOCKS-CVEARBPZSA-N 1 1 306.362 2.129 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOC[C@H]2CC2CC2)cc1 ZINC000933209107 624118872 /nfs/dbraw/zinc/11/88/72/624118872.db2.gz BHSWZGXQFYOCKS-CVEARBPZSA-N 1 1 306.362 2.129 20 5 DEBDMO Cn1ncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000891506069 624462271 /nfs/dbraw/zinc/46/22/71/624462271.db2.gz VJVMSPIVDJMXCJ-ZDUSSCGKSA-N 1 1 301.350 2.015 20 5 DEBDMO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)[N@@H+]1CCc2sccc2C1 ZINC000891751679 624577561 /nfs/dbraw/zinc/57/75/61/624577561.db2.gz CVKQZRQCBMQOPG-JTQLQIEISA-N 1 1 321.406 2.249 20 5 DEBDMO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)[N@H+]1CCc2sccc2C1 ZINC000891751679 624577563 /nfs/dbraw/zinc/57/75/63/624577563.db2.gz CVKQZRQCBMQOPG-JTQLQIEISA-N 1 1 321.406 2.249 20 5 DEBDMO CCCC[N@@H+](C)CC1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000891905890 624656159 /nfs/dbraw/zinc/65/61/59/624656159.db2.gz VKTRNAONYMNSFI-UHFFFAOYSA-N 1 1 309.414 2.277 20 5 DEBDMO C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000892329826 625126034 /nfs/dbraw/zinc/12/60/34/625126034.db2.gz CYYYEIGQHFJSIS-QWHCGFSZSA-N 1 1 320.393 2.092 20 5 DEBDMO COc1c(O)ccc(CN[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000893126174 625127742 /nfs/dbraw/zinc/12/77/42/625127742.db2.gz IQNCZWXKIQOGPO-PWSUYJOCSA-N 1 1 321.377 2.024 20 5 DEBDMO COc1c(O)ccc(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000893126174 625127743 /nfs/dbraw/zinc/12/77/43/625127743.db2.gz IQNCZWXKIQOGPO-PWSUYJOCSA-N 1 1 321.377 2.024 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000892623743 625200974 /nfs/dbraw/zinc/20/09/74/625200974.db2.gz PPKUPQVQXNHJNQ-UHFFFAOYSA-N 1 1 320.393 2.453 20 5 DEBDMO Cc1cc(N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)cc[nH+]1 ZINC000768893313 633288394 /nfs/dbraw/zinc/28/83/94/633288394.db2.gz ZKFIKPUGFYXHAL-UHFFFAOYSA-N 1 1 313.360 2.185 20 5 DEBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])n1C ZINC000837399477 650194530 /nfs/dbraw/zinc/19/45/30/650194530.db2.gz WQGCULQEYHXCQM-GFCCVEGCSA-N 1 1 309.366 2.353 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCCCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000894292097 636723168 /nfs/dbraw/zinc/72/31/68/636723168.db2.gz BKSIQQXIDTYKJG-CYBMUJFWSA-N 1 1 324.377 2.436 20 5 DEBDMO COc1c(O)ccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000894456961 637047695 /nfs/dbraw/zinc/04/76/95/637047695.db2.gz RZUKTYTWUFLXDY-LBPRGKRZSA-N 1 1 323.393 2.129 20 5 DEBDMO C/C(=C/C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928436079 637230348 /nfs/dbraw/zinc/23/03/48/637230348.db2.gz IKMBJQRCCMWGNU-SRDIGTRLSA-N 1 1 303.362 2.207 20 5 DEBDMO CC[N@@H+](C[C@@H]1CCOC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000738082817 637389832 /nfs/dbraw/zinc/38/98/32/637389832.db2.gz TUDDGFGQJJPZMZ-LBPRGKRZSA-N 1 1 304.350 2.260 20 5 DEBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000928569820 637725264 /nfs/dbraw/zinc/72/52/64/637725264.db2.gz YJGPKCLBRSCLMN-LLVKDONJSA-N 1 1 305.359 2.243 20 5 DEBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000928569820 637725267 /nfs/dbraw/zinc/72/52/67/637725267.db2.gz YJGPKCLBRSCLMN-LLVKDONJSA-N 1 1 305.359 2.243 20 5 DEBDMO CCOc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000895246658 637848107 /nfs/dbraw/zinc/84/81/07/637848107.db2.gz OTVDEQUJTIKRRC-IUODEOHRSA-N 1 1 322.409 2.040 20 5 DEBDMO CCOc1cc(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895246658 637848114 /nfs/dbraw/zinc/84/81/14/637848114.db2.gz OTVDEQUJTIKRRC-IUODEOHRSA-N 1 1 322.409 2.040 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000839392887 637865966 /nfs/dbraw/zinc/86/59/66/637865966.db2.gz RQUUJAFPQVYNBK-NSHDSACASA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000839392887 637865970 /nfs/dbraw/zinc/86/59/70/637865970.db2.gz RQUUJAFPQVYNBK-NSHDSACASA-N 1 1 311.769 2.414 20 5 DEBDMO CC(C)c1ccc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000895331107 637938674 /nfs/dbraw/zinc/93/86/74/637938674.db2.gz NOUIQMPSPOPARC-CZUORRHYSA-N 1 1 308.378 2.036 20 5 DEBDMO COc1c(O)ccc(Cn2c[nH+]c3c2CCCC3)c1[N+](=O)[O-] ZINC000895541463 638079021 /nfs/dbraw/zinc/07/90/21/638079021.db2.gz LVJZWPMGKJMYCN-UHFFFAOYSA-N 1 1 303.318 2.433 20 5 DEBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000744394821 638216427 /nfs/dbraw/zinc/21/64/27/638216427.db2.gz HJCBVVGTIDNKMA-UHFFFAOYSA-N 1 1 308.363 2.406 20 5 DEBDMO Cc1nn(C[N@H+](C)C[C@H]2CCCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000749943649 638695319 /nfs/dbraw/zinc/69/53/19/638695319.db2.gz GPFNELKQYUPYHM-CYBMUJFWSA-N 1 1 319.365 2.106 20 5 DEBDMO Cc1nn(C[N@@H+](C)C[C@H]2CCCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000749943649 638695325 /nfs/dbraw/zinc/69/53/25/638695325.db2.gz GPFNELKQYUPYHM-CYBMUJFWSA-N 1 1 319.365 2.106 20 5 DEBDMO Cc1nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749953890 638697825 /nfs/dbraw/zinc/69/78/25/638697825.db2.gz JSOQXIXZMDTZBE-BETUJISGSA-N 1 1 301.350 2.193 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC000750105615 638713542 /nfs/dbraw/zinc/71/35/42/638713542.db2.gz KDSSACKOXLRHAO-KRWDZBQOSA-N 1 1 314.341 2.392 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC000750105615 638713543 /nfs/dbraw/zinc/71/35/43/638713543.db2.gz KDSSACKOXLRHAO-KRWDZBQOSA-N 1 1 314.341 2.392 20 5 DEBDMO CO[C@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000751947338 639139092 /nfs/dbraw/zinc/13/90/92/639139092.db2.gz PAWISKUWYUQBNN-HNNXBMFYSA-N 1 1 302.334 2.137 20 5 DEBDMO CO[C@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000751947338 639139096 /nfs/dbraw/zinc/13/90/96/639139096.db2.gz PAWISKUWYUQBNN-HNNXBMFYSA-N 1 1 302.334 2.137 20 5 DEBDMO COC(C)(C)C[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000758411305 639956619 /nfs/dbraw/zinc/95/66/19/639956619.db2.gz GNLFFXBIIDMLEC-UHFFFAOYSA-N 1 1 319.365 2.168 20 5 DEBDMO COC(C)(C)C[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000758411305 639956623 /nfs/dbraw/zinc/95/66/23/639956623.db2.gz GNLFFXBIIDMLEC-UHFFFAOYSA-N 1 1 319.365 2.168 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000758487836 639965687 /nfs/dbraw/zinc/96/56/87/639965687.db2.gz XOSSVHNZHBOSDF-UHFFFAOYSA-N 1 1 321.352 2.353 20 5 DEBDMO C[C@H]1[C@@H](C)[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000841688586 650540838 /nfs/dbraw/zinc/54/08/38/650540838.db2.gz FSLIKFGKBIQANW-GMTAPVOTSA-N 1 1 305.334 2.437 20 5 DEBDMO C[C@H]1[C@@H](C)[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000841688586 650540840 /nfs/dbraw/zinc/54/08/40/650540840.db2.gz FSLIKFGKBIQANW-GMTAPVOTSA-N 1 1 305.334 2.437 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000897621535 640871368 /nfs/dbraw/zinc/87/13/68/640871368.db2.gz HIGYHWMZTWLNIL-GUYCJALGSA-N 1 1 317.389 2.299 20 5 DEBDMO C[N@H+]1CC[C@@H](CC(=O)Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000898462215 641668424 /nfs/dbraw/zinc/66/84/24/641668424.db2.gz NJSFCDUBJCZBCZ-NSHDSACASA-N 1 1 314.345 2.423 20 5 DEBDMO C[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@@H]1CCOC1 ZINC000774626876 641930145 /nfs/dbraw/zinc/93/01/45/641930145.db2.gz LZLIDDTUIGYRON-SNVBAGLBSA-N 1 1 310.741 2.276 20 5 DEBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@@H]1CCOC1 ZINC000774626876 641930150 /nfs/dbraw/zinc/93/01/50/641930150.db2.gz LZLIDDTUIGYRON-SNVBAGLBSA-N 1 1 310.741 2.276 20 5 DEBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000774838209 641971462 /nfs/dbraw/zinc/97/14/62/641971462.db2.gz CAQURKFTRIPFEA-LLVKDONJSA-N 1 1 309.322 2.361 20 5 DEBDMO C[N@H+]1C[C@@H]2CN(C(=S)Nc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000899640251 642129853 /nfs/dbraw/zinc/12/98/53/642129853.db2.gz CWYPSESZNYACTF-ABAIWWIYSA-N 1 1 320.418 2.175 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000776275965 642151782 /nfs/dbraw/zinc/15/17/82/642151782.db2.gz 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300.318 2.487 20 5 DEBDMO Cc1ccc(C[N@@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)cc1[N+](=O)[O-] ZINC000879486389 690652242 /nfs/dbraw/zinc/65/22/42/690652242.db2.gz LSJFBPIMVPFUHE-MRXNPFEDSA-N 1 1 317.389 2.379 20 5 DEBDMO NC(=O)[C@H](C1CC1)[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CC1 ZINC000879491046 690653604 /nfs/dbraw/zinc/65/36/04/690653604.db2.gz BXTKWAWUBJBGJH-HNNXBMFYSA-N 1 1 321.352 2.210 20 5 DEBDMO NC(=O)[C@H](C1CC1)[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CC1 ZINC000879491046 690653608 /nfs/dbraw/zinc/65/36/08/690653608.db2.gz BXTKWAWUBJBGJH-HNNXBMFYSA-N 1 1 321.352 2.210 20 5 DEBDMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC000879714204 690713962 /nfs/dbraw/zinc/71/39/62/690713962.db2.gz GHKUKLHWWYBNOX-SECBINFHSA-N 1 1 301.306 2.320 20 5 DEBDMO O=C1[C@@H]([N@@H+]2CCC[C@H](CF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880233924 690846766 /nfs/dbraw/zinc/84/67/66/690846766.db2.gz BDHMDYNGCGNKMX-DOMZBBRYSA-N 1 1 321.352 2.382 20 5 DEBDMO O=C1[C@@H]([N@H+]2CCC[C@H](CF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880233924 690846771 /nfs/dbraw/zinc/84/67/71/690846771.db2.gz BDHMDYNGCGNKMX-DOMZBBRYSA-N 1 1 321.352 2.382 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](CF)C3)o2)cc1 ZINC000880293153 690860670 /nfs/dbraw/zinc/86/06/70/690860670.db2.gz YZEWEEYBMPUNKN-JTQLQIEISA-N 1 1 306.297 2.436 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](CF)C3)o2)cc1 ZINC000880293153 690860672 /nfs/dbraw/zinc/86/06/72/690860672.db2.gz YZEWEEYBMPUNKN-JTQLQIEISA-N 1 1 306.297 2.436 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880590312 690935200 /nfs/dbraw/zinc/93/52/00/690935200.db2.gz YLZSEDPAHBAZKG-CQSZACIVSA-N 1 1 324.352 2.097 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880590312 690935204 /nfs/dbraw/zinc/93/52/04/690935204.db2.gz YLZSEDPAHBAZKG-CQSZACIVSA-N 1 1 324.352 2.097 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000881440246 691098447 /nfs/dbraw/zinc/09/84/47/691098447.db2.gz XAUUMWURSFLFTF-AAEUAGOBSA-N 1 1 323.780 2.414 20 5 DEBDMO CC1([NH+]2CCC2)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000882505214 691299976 /nfs/dbraw/zinc/29/99/76/691299976.db2.gz GAOZOVNHCDHPOK-UHFFFAOYSA-N 1 1 319.361 2.001 20 5 DEBDMO C[C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000931781316 694477590 /nfs/dbraw/zinc/47/75/90/694477590.db2.gz XWAGAUXCHTXVFG-NSHDSACASA-N 1 1 323.368 2.265 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931919136 694506454 /nfs/dbraw/zinc/50/64/54/694506454.db2.gz NJWOTROYBBTNMS-SNVBAGLBSA-N 1 1 322.262 2.158 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1 ZINC000886797550 692194003 /nfs/dbraw/zinc/19/40/03/692194003.db2.gz WIABIPPZQDMJMW-CYBMUJFWSA-N 1 1 318.295 2.384 20 5 DEBDMO Cc1nc([C@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)no1 ZINC000931946623 694512685 /nfs/dbraw/zinc/51/26/85/694512685.db2.gz IELGXBVKNXLHNF-JTQLQIEISA-N 1 1 306.297 2.415 20 5 DEBDMO Cc1nc([C@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)no1 ZINC000931946623 694512688 /nfs/dbraw/zinc/51/26/88/694512688.db2.gz IELGXBVKNXLHNF-JTQLQIEISA-N 1 1 306.297 2.415 20 5 DEBDMO COC(=O)C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000932099355 694545929 /nfs/dbraw/zinc/54/59/29/694545929.db2.gz MBNRVPBBJOHUCR-VXGBXAGGSA-N 1 1 322.361 2.234 20 5 DEBDMO C[C@@H](NC(=O)N1CCC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925228725 693243852 /nfs/dbraw/zinc/24/38/52/693243852.db2.gz ZBNAHNQKOHGWGY-GFCCVEGCSA-N 1 1 306.366 2.003 20 5 DEBDMO O=C(CC[N@H+]1CCn2cccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000932523544 694631819 /nfs/dbraw/zinc/63/18/19/694631819.db2.gz CKHGFNNIQNLJDE-UHFFFAOYSA-N 1 1 314.345 2.241 20 5 DEBDMO COc1cc(NCC2([NH+]3CCCC3)COC2)cc([N+](=O)[O-])c1C ZINC001168451738 782434648 /nfs/dbraw/zinc/43/46/48/782434648.db2.gz SNZBCBHPRRLPDJ-UHFFFAOYSA-N 1 1 321.377 2.189 20 5 DEBDMO CCOC(=O)[C@H](CC(C)(C)F)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168985627 784986168 /nfs/dbraw/zinc/98/61/68/784986168.db2.gz UJJXZVSHCDOHPD-SRVKXCTJSA-N 1 1 304.362 2.091 20 5 DEBDMO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OCc1ccccc1 ZINC001168974629 784993649 /nfs/dbraw/zinc/99/36/49/784993649.db2.gz RKOMPMVEKSMOII-CFVMTHIKSA-N 1 1 306.362 2.153 20 5 DEBDMO CN(C)CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007419 785000008 /nfs/dbraw/zinc/00/00/08/785000008.db2.gz NPQKHFCIMUZIJD-IRXDYDNUSA-N 1 1 305.422 2.496 20 5 DEBDMO CC(C)(C)OC(=O)O[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169009493 785001800 /nfs/dbraw/zinc/00/18/00/785001800.db2.gz WNSLSIMFYDZCGH-JHJVBQTASA-N 1 1 314.382 2.458 20 5 DEBDMO CC(C)(C)OC(=O)O[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169009495 785002007 /nfs/dbraw/zinc/00/20/07/785002007.db2.gz WNSLSIMFYDZCGH-RWMBFGLXSA-N 1 1 314.382 2.458 20 5 DEBDMO COC(=O)c1ccc2c(c1)CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169010231 785002872 /nfs/dbraw/zinc/00/28/72/785002872.db2.gz BPJCJXLKAXGCCT-LRDDRELGSA-N 1 1 318.373 2.277 20 5 DEBDMO COC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169010230 785003982 /nfs/dbraw/zinc/00/39/82/785003982.db2.gz BPJCJXLKAXGCCT-BLLLJJGKSA-N 1 1 318.373 2.277 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Oc3cccnc3)C2)C1 ZINC001169027053 785007139 /nfs/dbraw/zinc/00/71/39/785007139.db2.gz OYESGBYHBTYNCA-FMKPAKJESA-N 1 1 305.378 2.370 20 5 DEBDMO COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169036044 785011473 /nfs/dbraw/zinc/01/14/73/785011473.db2.gz MUDNGUICZBLLLS-BLLLJJGKSA-N 1 1 318.373 2.277 20 5 DEBDMO COC(=O)c1cccc(C[N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169038917 785012387 /nfs/dbraw/zinc/01/23/87/785012387.db2.gz LHDMEKNWKVJHRE-ZFWWWQNUSA-N 1 1 306.362 2.350 20 5 DEBDMO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169044772 785015145 /nfs/dbraw/zinc/01/51/45/785015145.db2.gz IVHHCXJWCSXSBF-VBNZEHGJSA-N 1 1 318.373 2.032 20 5 DEBDMO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169044772 785015151 /nfs/dbraw/zinc/01/51/51/785015151.db2.gz IVHHCXJWCSXSBF-VBNZEHGJSA-N 1 1 318.373 2.032 20 5 DEBDMO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169022901 785017860 /nfs/dbraw/zinc/01/78/60/785017860.db2.gz NMXYPBCHPMIGGH-LVQVYYBASA-N 1 1 312.410 2.092 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001169026100 785020101 /nfs/dbraw/zinc/02/01/01/785020101.db2.gz KQQQEIQDTPYLNP-QZTJIDSGSA-N 1 1 317.433 2.292 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC001170326638 786909775 /nfs/dbraw/zinc/90/97/75/786909775.db2.gz BAZKYJMPXLPQOZ-GFCCVEGCSA-N 1 1 318.377 2.400 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+]2CCCC23COC3)c([N+](=O)[O-])c1 ZINC001170344584 786928369 /nfs/dbraw/zinc/92/83/69/786928369.db2.gz CJUBWXVJCSAZPI-LBPRGKRZSA-N 1 1 306.362 2.399 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CCCC23COC3)c([N+](=O)[O-])c1 ZINC001170344584 786928377 /nfs/dbraw/zinc/92/83/77/786928377.db2.gz CJUBWXVJCSAZPI-LBPRGKRZSA-N 1 1 306.362 2.399 20 5 DEBDMO CCOC(=O)CC[N@@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170346572 786930068 /nfs/dbraw/zinc/93/00/68/786930068.db2.gz ONQHKLBDUNWDRO-GFCCVEGCSA-N 1 1 324.377 2.419 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+](C)[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001170346373 786930102 /nfs/dbraw/zinc/93/01/02/786930102.db2.gz NKDIXLVPIOBHBU-TZMCWYRMSA-N 1 1 307.394 2.170 20 5 DEBDMO COc1ccc(C[C@@H](C)N(C)[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170346373 786930105 /nfs/dbraw/zinc/93/01/05/786930105.db2.gz NKDIXLVPIOBHBU-TZMCWYRMSA-N 1 1 307.394 2.170 20 5 DEBDMO COc1ccc(C[C@@H](C)N(C)[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170346373 786930110 /nfs/dbraw/zinc/93/01/10/786930110.db2.gz NKDIXLVPIOBHBU-TZMCWYRMSA-N 1 1 307.394 2.170 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+](C)[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001170346364 786930277 /nfs/dbraw/zinc/93/02/77/786930277.db2.gz NKDIXLVPIOBHBU-JSGCOSHPSA-N 1 1 307.394 2.170 20 5 DEBDMO COc1ccc(C[C@H](C)N(C)[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170346364 786930281 /nfs/dbraw/zinc/93/02/81/786930281.db2.gz NKDIXLVPIOBHBU-JSGCOSHPSA-N 1 1 307.394 2.170 20 5 DEBDMO COc1ccc(C[C@H](C)N(C)[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170346364 786930291 /nfs/dbraw/zinc/93/02/91/786930291.db2.gz NKDIXLVPIOBHBU-JSGCOSHPSA-N 1 1 307.394 2.170 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000217798530 789296806 /nfs/dbraw/zinc/29/68/06/789296806.db2.gz CGJAVUPJHUVFBM-UHFFFAOYSA-N 1 1 311.769 2.462 20 5 DEBDMO C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172918852 793532464 /nfs/dbraw/zinc/53/24/64/793532464.db2.gz CRRWVNIKPIDKQK-BBWFWOEESA-N 1 1 315.417 2.336 20 5 DEBDMO CN1C[C@@H]2C[N@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172918852 793532477 /nfs/dbraw/zinc/53/24/77/793532477.db2.gz CRRWVNIKPIDKQK-BBWFWOEESA-N 1 1 315.417 2.336 20 5 DEBDMO CN1C[C@@H]2C[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172918852 793532484 /nfs/dbraw/zinc/53/24/84/793532484.db2.gz CRRWVNIKPIDKQK-BBWFWOEESA-N 1 1 315.417 2.336 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2c(ncn2C)C1 ZINC001173233670 793645933 /nfs/dbraw/zinc/64/59/33/793645933.db2.gz LTOMDYLQYXTVBH-LBPRGKRZSA-N 1 1 300.362 2.318 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(=O)NC2(CCCC2)C1 ZINC001173238560 793656223 /nfs/dbraw/zinc/65/62/23/793656223.db2.gz VIXYYKKPEZRXLY-ZDUSSCGKSA-N 1 1 317.389 2.270 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(=O)NC2(CCCC2)C1 ZINC001173238560 793656225 /nfs/dbraw/zinc/65/62/25/793656225.db2.gz VIXYYKKPEZRXLY-ZDUSSCGKSA-N 1 1 317.389 2.270 20 5 DEBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccnn1C ZINC001175531169 794231676 /nfs/dbraw/zinc/23/16/76/794231676.db2.gz HMPORUKULMXIMP-SECBINFHSA-N 1 1 300.322 2.055 20 5 DEBDMO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001176364654 794415293 /nfs/dbraw/zinc/41/52/93/794415293.db2.gz DLIZWOMUEURVGC-NRUUGDAUSA-N 1 1 318.333 2.330 20 5 DEBDMO CNc1ccc(C(=O)Nc2cc(C)[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC001116394148 794954939 /nfs/dbraw/zinc/95/49/39/794954939.db2.gz LMXKEWSBHZXQGZ-UHFFFAOYSA-N 1 1 300.318 2.323 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1NCC[N@H+]1CCc2ccccc2C1 ZINC001116729048 794981753 /nfs/dbraw/zinc/98/17/53/794981753.db2.gz HSIQGKYLJUXFBI-UHFFFAOYSA-N 1 1 312.373 2.190 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001120727078 795519859 /nfs/dbraw/zinc/51/98/59/795519859.db2.gz PXQATITWEVWINE-NSHDSACASA-N 1 1 309.341 2.256 20 5 DEBDMO Cc1cc(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC001123361559 795901313 /nfs/dbraw/zinc/90/13/13/795901313.db2.gz YBVXSUUYVAGUNL-NILFDRSVSA-N 1 1 318.377 2.365 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC001124004140 796019646 /nfs/dbraw/zinc/01/96/46/796019646.db2.gz UHZCBRVGMKPGMR-DUFXMDAXSA-N 1 1 323.780 2.318 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC001137894294 796149573 /nfs/dbraw/zinc/14/95/73/796149573.db2.gz QRCHCZULTRLVER-RYUDHWBXSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC001137894294 796149577 /nfs/dbraw/zinc/14/95/77/796149577.db2.gz QRCHCZULTRLVER-RYUDHWBXSA-N 1 1 321.377 2.158 20 5 DEBDMO O=C(OCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840675195 796700169 /nfs/dbraw/zinc/70/01/69/796700169.db2.gz TYFAPJSTUMIPTO-HZPDHXFCSA-N 1 1 318.373 2.381 20 5 DEBDMO O=C(c1cccc2nc3ccccc3nc21)N1CC[N@H+]2CC[C@H]2C1 ZINC001153865330 797414305 /nfs/dbraw/zinc/41/43/05/797414305.db2.gz ADFQZKVPAJJASU-ZDUSSCGKSA-N 1 1 318.380 2.313 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001156377775 797987661 /nfs/dbraw/zinc/98/76/61/797987661.db2.gz FFERHWVQIKINIU-SNVBAGLBSA-N 1 1 309.326 2.042 20 5 DEBDMO C[NH+](C)/C=C/c1cc(N[C@@H](CO)C(C)(C)C)ncc1[N+](=O)[O-] ZINC001157758869 798272891 /nfs/dbraw/zinc/27/28/91/798272891.db2.gz NWUNRYBPRGRQHF-YBJDMEARSA-N 1 1 308.382 2.341 20 5 DEBDMO COc1nc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC001160468857 798692642 /nfs/dbraw/zinc/69/26/42/798692642.db2.gz JUKUPSQPWLUFJJ-CNDDSTCGSA-N 1 1 306.366 2.426 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001160557168 798704273 /nfs/dbraw/zinc/70/42/73/798704273.db2.gz SOROMCNPDXDXRN-LLVKDONJSA-N 1 1 307.350 2.274 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001160557168 798704274 /nfs/dbraw/zinc/70/42/74/798704274.db2.gz SOROMCNPDXDXRN-LLVKDONJSA-N 1 1 307.350 2.274 20 5 DEBDMO [NH3+]CCc1cn(-c2ncc([N+](=O)[O-])cc2Cl)c2ccncc12 ZINC001160944434 798766994 /nfs/dbraw/zinc/76/69/94/798766994.db2.gz KJEZHYOTCLUGSN-UHFFFAOYSA-N 1 1 317.736 2.483 20 5 DEBDMO Cc1nc(NCC[C@@H]2CC[NH2+]CC2(F)F)ccc1[N+](=O)[O-] ZINC001162808326 799181018 /nfs/dbraw/zinc/18/10/18/799181018.db2.gz PSLZCJOLRNCTMH-JTQLQIEISA-N 1 1 300.309 2.345 20 5 DEBDMO CC(C)OC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001163408043 799336078 /nfs/dbraw/zinc/33/60/78/799336078.db2.gz RZDABVQWKJRUKN-NSHDSACASA-N 1 1 321.377 2.335 20 5 DEBDMO CC(C)OC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001163408043 799336086 /nfs/dbraw/zinc/33/60/86/799336086.db2.gz RZDABVQWKJRUKN-NSHDSACASA-N 1 1 321.377 2.335 20 5 DEBDMO CCc1[nH+]ccn1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001164137808 799522010 /nfs/dbraw/zinc/52/20/10/799522010.db2.gz AMMPIJGEIGPWEI-UHFFFAOYSA-N 1 1 312.333 2.409 20 5 DEBDMO Cc1[nH+]cc2n1CCN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001165387558 799718963 /nfs/dbraw/zinc/71/89/63/799718963.db2.gz OLVDZWFKINWLPV-UHFFFAOYSA-N 1 1 310.317 2.063 20 5 DEBDMO CCOC(=O)[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000932643051 799872926 /nfs/dbraw/zinc/87/29/26/799872926.db2.gz AYCZWCUCHXJJBX-CYBMUJFWSA-N 1 1 322.361 2.249 20 5 DEBDMO CC(C)[C@H]1COCCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001166998942 800001518 /nfs/dbraw/zinc/00/15/18/800001518.db2.gz QITKBFWHKXNKRV-LLYBFZRZSA-N 1 1 320.393 2.383 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934831531 800469380 /nfs/dbraw/zinc/46/93/80/800469380.db2.gz KBVSQXQWVZVCBG-HUUCEWRRSA-N 1 1 322.409 2.238 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000935189711 800589562 /nfs/dbraw/zinc/58/95/62/800589562.db2.gz LPAQDQSSWDXPPK-GHMZBOCLSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000935189711 800589565 /nfs/dbraw/zinc/58/95/65/800589565.db2.gz LPAQDQSSWDXPPK-GHMZBOCLSA-N 1 1 323.418 2.481 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935444146 800663528 /nfs/dbraw/zinc/66/35/28/800663528.db2.gz WCIJOLVKKRWQCX-JKSUJKDBSA-N 1 1 317.389 2.251 20 5 DEBDMO CC[N@H+]1CC[C@H](Oc2ccc3c(C)cc(=O)oc3c2[N+](=O)[O-])C1 ZINC001229941698 801340092 /nfs/dbraw/zinc/34/00/92/801340092.db2.gz CUXJNGGLTIUUNS-NSHDSACASA-N 1 1 318.329 2.483 20 5 DEBDMO O=[N+]([O-])c1nc(Cl)ccc1OC1CC[NH+](CCF)CC1 ZINC001230878828 801519007 /nfs/dbraw/zinc/51/90/07/801519007.db2.gz JJPVMJOLKSZLEO-UHFFFAOYSA-N 1 1 303.721 2.456 20 5 DEBDMO C[N@H+]1CCC[C@H](Oc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001231053706 801564625 /nfs/dbraw/zinc/56/46/25/801564625.db2.gz STWPPBSRKRXIEX-NSHDSACASA-N 1 1 302.334 2.401 20 5 DEBDMO O=[N+]([O-])c1ccc(O[C@H]2C[C@H]3CNCC[N@@H+]3C2)c2ccccc21 ZINC001218075320 802139599 /nfs/dbraw/zinc/13/95/99/802139599.db2.gz XXSMATZHMLCGAT-STQMWFEESA-N 1 1 313.357 2.173 20 5 DEBDMO O=[N+]([O-])c1ccc(O[C@H]2C[C@H]3CNCC[N@H+]3C2)c2ccccc21 ZINC001218075320 802139605 /nfs/dbraw/zinc/13/96/05/802139605.db2.gz XXSMATZHMLCGAT-STQMWFEESA-N 1 1 313.357 2.173 20 5 DEBDMO C[N@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)C1 ZINC001233902191 802238462 /nfs/dbraw/zinc/23/84/62/802238462.db2.gz QYIOCODERHKHBI-SECBINFHSA-N 1 1 318.289 2.134 20 5 DEBDMO CCC/C=C/CC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223114400 802767058 /nfs/dbraw/zinc/76/70/58/802767058.db2.gz LCIVQAALPOFKQJ-FZZYSBJUSA-N 1 1 323.437 2.226 20 5 DEBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(F)c(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225778944 803012033 /nfs/dbraw/zinc/01/20/33/803012033.db2.gz LHRBQLDHIFWDRN-HOCOFYGGSA-N 1 1 312.272 2.056 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(F)c(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225778944 803012038 /nfs/dbraw/zinc/01/20/38/803012038.db2.gz LHRBQLDHIFWDRN-HOCOFYGGSA-N 1 1 312.272 2.056 20 5 DEBDMO C[C@H](C[N+](C)(C)C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228860308 803422254 /nfs/dbraw/zinc/42/22/54/803422254.db2.gz STVATMVPNIUBFZ-SSDOTTSWSA-O 1 1 324.279 2.188 20 5 DEBDMO Cc1nnsc1[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001334225303 1150238722 /nfs/dbraw/zinc/23/87/22/1150238722.db2.gz JKMXDNHOBRCCKZ-JTQLQIEISA-N 1 1 322.394 2.349 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001331288511 1149411183 /nfs/dbraw/zinc/41/11/83/1149411183.db2.gz IQISQJQLHLRPAE-JTQLQIEISA-N 1 1 310.329 2.197 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001328586085 1148813054 /nfs/dbraw/zinc/81/30/54/1148813054.db2.gz SFRXGEIVGZUTTG-UHFFFAOYSA-N 1 1 322.409 2.093 20 5 DEBDMO CNC(=O)c1ccc(Nc2ccc3[nH+]ccn3c2)c([N+](=O)[O-])c1 ZINC001458499147 1058066826 /nfs/dbraw/zinc/06/68/26/1058066826.db2.gz ZCZQXJDMMANJGH-UHFFFAOYSA-N 1 1 311.301 2.346 20 5 DEBDMO CCCn1cc[nH+]c1CCCN(C)c1nn(C)cc1[N+](=O)[O-] ZINC001472757867 1060576384 /nfs/dbraw/zinc/57/63/84/1060576384.db2.gz YBIJQBKSTVYWRF-UHFFFAOYSA-N 1 1 306.370 2.004 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)N1C ZINC001473586606 1060699004 /nfs/dbraw/zinc/69/90/04/1060699004.db2.gz SWADCJJDMWLIES-UPJWGTAASA-N 1 1 305.378 2.077 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)N1C ZINC001473586606 1060699008 /nfs/dbraw/zinc/69/90/08/1060699008.db2.gz SWADCJJDMWLIES-UPJWGTAASA-N 1 1 305.378 2.077 20 5 DEBDMO Cc1noc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC001473839672 1060740611 /nfs/dbraw/zinc/74/06/11/1060740611.db2.gz GQQDRDRXYBXUBK-HNNXBMFYSA-N 1 1 323.324 2.114 20 5 DEBDMO CC[N@H+]1CCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001479123938 1061286027 /nfs/dbraw/zinc/28/60/27/1061286027.db2.gz DVYVBXHBOUNVHQ-CYBMUJFWSA-N 1 1 320.393 2.139 20 5 DEBDMO CC1(C)OCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001617994509 1078150392 /nfs/dbraw/zinc/15/03/92/1078150392.db2.gz ZJCZBNCIMGTLDX-LBPRGKRZSA-N 1 1 318.333 2.302 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000044564350 1078341392 /nfs/dbraw/zinc/34/13/92/1078341392.db2.gz AXADXCDACPBAFJ-LLVKDONJSA-N 1 1 311.769 2.462 20 5 DEBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001632477133 1078384377 /nfs/dbraw/zinc/38/43/77/1078384377.db2.gz HMUBNCOGPXMEKZ-NSHDSACASA-N 1 1 323.397 2.044 20 5 DEBDMO Cc1[nH]c(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)[nH+]1 ZINC001635398112 1078450244 /nfs/dbraw/zinc/45/02/44/1078450244.db2.gz NWHZFJIBEYZHNO-QMMMGPOBSA-N 1 1 320.324 2.494 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001636534678 1078480268 /nfs/dbraw/zinc/48/02/68/1078480268.db2.gz DPNICWCEEDMJAM-NWDGAFQWSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001636534678 1078480274 /nfs/dbraw/zinc/48/02/74/1078480274.db2.gz DPNICWCEEDMJAM-NWDGAFQWSA-N 1 1 321.377 2.158 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CO)C2)c(Br)c1 ZINC000051887277 1078517022 /nfs/dbraw/zinc/51/70/22/1078517022.db2.gz FDRWZDRAGKTUMS-SECBINFHSA-N 1 1 315.167 2.172 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CO)C2)c(Br)c1 ZINC000051887277 1078517028 /nfs/dbraw/zinc/51/70/28/1078517028.db2.gz FDRWZDRAGKTUMS-SECBINFHSA-N 1 1 315.167 2.172 20 5 DEBDMO CC/C=C(\C)C(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001267188210 1078651613 /nfs/dbraw/zinc/65/16/13/1078651613.db2.gz MLHISAHXHPSWIX-AWNIVKPZSA-N 1 1 305.378 2.499 20 5 DEBDMO CC/C=C(\C)C(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001267188210 1078651615 /nfs/dbraw/zinc/65/16/15/1078651615.db2.gz MLHISAHXHPSWIX-AWNIVKPZSA-N 1 1 305.378 2.499 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC001643327147 1078795310 /nfs/dbraw/zinc/79/53/10/1078795310.db2.gz HITWKTQXQPBBKM-VIFPVBQESA-N 1 1 307.379 2.130 20 5 DEBDMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001648276936 1074991858 /nfs/dbraw/zinc/99/18/58/1074991858.db2.gz CFMFZYNSIMZROL-SECBINFHSA-N 1 1 305.294 2.087 20 5 DEBDMO Cc1ccc(C[N@@H+]2CCC[C@@H](c3cn(C)nn3)C2)cc1[N+](=O)[O-] ZINC001648590632 1075002114 /nfs/dbraw/zinc/00/21/14/1075002114.db2.gz DTFYBVFUZBLUCV-CQSZACIVSA-N 1 1 315.377 2.411 20 5 DEBDMO CSc1ccc(C(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC001558503407 1075096996 /nfs/dbraw/zinc/09/69/96/1075096996.db2.gz NZFDECQXZGJCJK-CYBMUJFWSA-N 1 1 323.418 2.387 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC001559304428 1075119695 /nfs/dbraw/zinc/11/96/95/1075119695.db2.gz WMJXLLHOYULMGW-DLOVCJGASA-N 1 1 306.322 2.255 20 5 DEBDMO CC[N@@H+]1CC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001566172744 1075236873 /nfs/dbraw/zinc/23/68/73/1075236873.db2.gz DBSWNOKBMNIOHX-HNNXBMFYSA-N 1 1 305.378 2.128 20 5 DEBDMO CC[N@H+]1CC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001566172744 1075236876 /nfs/dbraw/zinc/23/68/76/1075236876.db2.gz DBSWNOKBMNIOHX-HNNXBMFYSA-N 1 1 305.378 2.128 20 5 DEBDMO CC(C)[C@H](C)[N@@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589436705 1076489088 /nfs/dbraw/zinc/48/90/88/1076489088.db2.gz GVCJPVAGQUPXTO-JTQLQIEISA-N 1 1 304.354 2.251 20 5 DEBDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590551413 1076650934 /nfs/dbraw/zinc/65/09/34/1076650934.db2.gz YUEVLEMHZKQTGE-SNVBAGLBSA-N 1 1 304.354 2.395 20 5 DEBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609198491 1077795129 /nfs/dbraw/zinc/79/51/29/1077795129.db2.gz BSDRMUHNBKLAPV-GHMZBOCLSA-N 1 1 316.365 2.395 20 5 DEBDMO CCc1[nH+]ccn1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001651416100 1079809917 /nfs/dbraw/zinc/80/99/17/1079809917.db2.gz SQZXFQBNHYPWAY-UHFFFAOYSA-N 1 1 305.294 2.374 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C(C)(C)C1 ZINC001652488101 1079878000 /nfs/dbraw/zinc/87/80/00/1079878000.db2.gz ILYMIDHQJWQJJD-AWEZNQCLSA-N 1 1 316.361 2.146 20 5 DEBDMO COc1cc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)sn1 ZINC001654900799 1079981419 /nfs/dbraw/zinc/98/14/19/1079981419.db2.gz OORNTHBBIZBUFB-ZDUSSCGKSA-N 1 1 323.374 2.225 20 5 DEBDMO COc1cc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)sn1 ZINC001654900799 1079981425 /nfs/dbraw/zinc/98/14/25/1079981425.db2.gz OORNTHBBIZBUFB-ZDUSSCGKSA-N 1 1 323.374 2.225 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCn4nccc43)nc2c1 ZINC001655421867 1079997608 /nfs/dbraw/zinc/99/76/08/1079997608.db2.gz PNLHZNMJUXWYPX-GFCCVEGCSA-N 1 1 312.333 2.292 20 5 DEBDMO COc1c(O)ccc(C[NH+]2CCC(O)(C(C)C)CC2)c1[N+](=O)[O-] ZINC001660898332 1080414008 /nfs/dbraw/zinc/41/40/08/1080414008.db2.gz MYOXERFRDXPHEZ-UHFFFAOYSA-N 1 1 324.377 2.292 20 5 DEBDMO Cc1nc(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001664230458 1080879181 /nfs/dbraw/zinc/87/91/81/1080879181.db2.gz VKCXQOFKIDHYRM-LLVKDONJSA-N 1 1 303.366 2.175 20 5 DEBDMO Cc1nnc(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC001664230458 1080879192 /nfs/dbraw/zinc/87/91/92/1080879192.db2.gz VKCXQOFKIDHYRM-LLVKDONJSA-N 1 1 303.366 2.175 20 5 DEBDMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CC1 ZINC001667529634 1081259893 /nfs/dbraw/zinc/25/98/93/1081259893.db2.gz UBVGIJMZIRMTDV-UHFFFAOYSA-N 1 1 305.378 2.285 20 5 DEBDMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CC1 ZINC001667529634 1081259899 /nfs/dbraw/zinc/25/98/99/1081259899.db2.gz UBVGIJMZIRMTDV-UHFFFAOYSA-N 1 1 305.378 2.285 20 5 DEBDMO O=C(NC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC001273799306 1092055328 /nfs/dbraw/zinc/05/53/28/1092055328.db2.gz RTHMQBOEIGHJKV-UPHRSURJSA-N 1 1 309.391 2.218 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNCc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001351975859 1151642743 /nfs/dbraw/zinc/64/27/43/1151642743.db2.gz WYXCPOSCSDVGFC-GFCCVEGCSA-N 1 1 323.393 2.131 20 5 DEBDMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccoc1 ZINC001319975845 1140808121 /nfs/dbraw/zinc/80/81/21/1140808121.db2.gz AVIBJEYYQWDYIZ-UHFFFAOYSA-N 1 1 317.345 2.392 20 5 DEBDMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccoc1 ZINC001319975845 1140808124 /nfs/dbraw/zinc/80/81/24/1140808124.db2.gz AVIBJEYYQWDYIZ-UHFFFAOYSA-N 1 1 317.345 2.392 20 5 DEBDMO [NH3+][C@@H](CC1CCC1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249231606 1141862714 /nfs/dbraw/zinc/86/27/14/1141862714.db2.gz SYGLOEHZWDRUBA-VIFPVBQESA-N 1 1 307.285 2.369 20 5 DEBDMO COC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001324314796 1142053832 /nfs/dbraw/zinc/05/38/32/1142053832.db2.gz NXYHAPHSOKEABG-UHFFFAOYSA-N 1 1 310.350 2.377 20 5 DEBDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001336291494 1142397032 /nfs/dbraw/zinc/39/70/32/1142397032.db2.gz TYLNADSEDHFGMW-OAHLLOKOSA-N 1 1 305.378 2.331 20 5 DEBDMO Cn1ncc([N+](=O)[O-])c1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001336685396 1142532210 /nfs/dbraw/zinc/53/22/10/1142532210.db2.gz FMZPZUCMIDAMNL-UHFFFAOYSA-N 1 1 321.425 2.421 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001338793877 1142879127 /nfs/dbraw/zinc/87/91/27/1142879127.db2.gz VNFYDUODKOSENR-ZDUSSCGKSA-N 1 1 320.393 2.241 20 5 DEBDMO Cc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc(C)[nH+]1 ZINC001253731464 1142901088 /nfs/dbraw/zinc/90/10/88/1142901088.db2.gz SYMUMFQDQVKPEC-UHFFFAOYSA-N 1 1 311.301 2.157 20 5 DEBDMO CC[N@@H+](CCN(C)C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476055 1143131505 /nfs/dbraw/zinc/13/15/05/1143131505.db2.gz KGLNXIRSBWXQDK-UHFFFAOYSA-N 1 1 320.437 2.447 20 5 DEBDMO C[C@@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1O ZINC001254473410 1143133304 /nfs/dbraw/zinc/13/33/04/1143133304.db2.gz DCRXTDNCTOIDRJ-DYVFJYSZSA-N 1 1 319.405 2.266 20 5 DEBDMO CC[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCN(C)CC1 ZINC001254598051 1143271547 /nfs/dbraw/zinc/27/15/47/1143271547.db2.gz GYFLCLZTUWNFQK-KRWDZBQOSA-N 1 1 303.406 2.478 20 5 DEBDMO CC[N@@H+](CCn1cccn1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603342 1143277384 /nfs/dbraw/zinc/27/73/84/1143277384.db2.gz MRHHEIQBYPWFMG-MRXNPFEDSA-N 1 1 300.362 2.281 20 5 DEBDMO COC(=O)[C@@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611376 1143282118 /nfs/dbraw/zinc/28/21/18/1143282118.db2.gz PYKGJORHZUPOLT-WBMJQRKESA-N 1 1 318.373 2.337 20 5 DEBDMO CCC/C=C/CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001284909907 1145968620 /nfs/dbraw/zinc/96/86/20/1145968620.db2.gz OMJQEKHKHUOMIC-FZZYSBJUSA-N 1 1 321.421 2.146 20 5 DEBDMO CCC/C=C/CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001284909907 1145968626 /nfs/dbraw/zinc/96/86/26/1145968626.db2.gz OMJQEKHKHUOMIC-FZZYSBJUSA-N 1 1 321.421 2.146 20 5 DEBDMO CCC/C=C/CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001284909907 1145968633 /nfs/dbraw/zinc/96/86/33/1145968633.db2.gz OMJQEKHKHUOMIC-FZZYSBJUSA-N 1 1 321.421 2.146 20 5 DEBDMO C[N@H+](CCNC(=O)C1=CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001492227473 1147168201 /nfs/dbraw/zinc/16/82/01/1147168201.db2.gz MYNDSDSZHHEFSZ-UHFFFAOYSA-N 1 1 303.362 2.253 20 5 DEBDMO C[N@@H+](CCNC(=O)C1=CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001492227473 1147168215 /nfs/dbraw/zinc/16/82/15/1147168215.db2.gz MYNDSDSZHHEFSZ-UHFFFAOYSA-N 1 1 303.362 2.253 20 5 DEBDMO O=C(NCc1c[nH+]c2n1CCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001303551163 1147330135 /nfs/dbraw/zinc/33/01/35/1147330135.db2.gz LWRMLEPTZGZXBD-UHFFFAOYSA-N 1 1 320.736 2.321 20 5 DEBDMO CC/C=C(/C)C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317440542 1147376335 /nfs/dbraw/zinc/37/63/35/1147376335.db2.gz HNHNPRWPMCJPOE-ACAGNQJTSA-N 1 1 305.378 2.499 20 5 DEBDMO Cn1cc(C[NH+]2CCC(OCC3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC001307518829 1147427863 /nfs/dbraw/zinc/42/78/63/1147427863.db2.gz WXEIEELNIPVULK-UHFFFAOYSA-N 1 1 322.409 2.500 20 5 DEBDMO O=C1Nc2ccccc2C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001308898408 1147490185 /nfs/dbraw/zinc/49/01/85/1147490185.db2.gz YCZWUTWFNZPIOL-OAHLLOKOSA-N 1 1 315.304 2.387 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001311815043 1147541874 /nfs/dbraw/zinc/54/18/74/1147541874.db2.gz DXKFWICPFGNRKB-LLVKDONJSA-N 1 1 317.349 2.160 20 5 DEBDMO CC(C)(C)[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC001326377314 1148088955 /nfs/dbraw/zinc/08/89/55/1148088955.db2.gz JBCVOEHMERMVJQ-UHFFFAOYSA-N 1 1 308.338 2.424 20 5 DEBDMO CC[C@]1(CO)CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000189635945 529431322 /nfs/dbraw/zinc/43/13/22/529431322.db2.gz YRQBRIGASGVMSQ-MRXNPFEDSA-N 1 1 321.377 2.079 20 5 DEBDMO CCc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000173496091 282190648 /nfs/dbraw/zinc/19/06/48/282190648.db2.gz ZAFIIEQDSIXGQF-LSDHHAIUSA-N 1 1 317.389 2.466 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286693500 219114064 /nfs/dbraw/zinc/11/40/64/219114064.db2.gz BQRZUZJLXLJRAE-SECBINFHSA-N 1 1 307.379 2.496 20 5 DEBDMO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CCn4cc[nH+]c4C3)c2c1 ZINC000614524704 362401585 /nfs/dbraw/zinc/40/15/85/362401585.db2.gz LTRTYPVTKJCCSW-SNVBAGLBSA-N 1 1 310.317 2.161 20 5 DEBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1(O)CCCC1 ZINC000331764226 530022983 /nfs/dbraw/zinc/02/29/83/530022983.db2.gz CTFRBYISIGADJO-UHFFFAOYSA-N 1 1 304.350 2.208 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000447815361 530051602 /nfs/dbraw/zinc/05/16/02/530051602.db2.gz FHEKWGDFMPFABY-AWEZNQCLSA-N 1 1 320.393 2.226 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000447815362 530051824 /nfs/dbraw/zinc/05/18/24/530051824.db2.gz FHEKWGDFMPFABY-CQSZACIVSA-N 1 1 320.393 2.226 20 5 DEBDMO CC[N@H+](CC(=O)N(C)C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615833487 362711177 /nfs/dbraw/zinc/71/11/77/362711177.db2.gz NGZWTDDBTBZVTJ-UKTHLTGXSA-N 1 1 305.378 2.408 20 5 DEBDMO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000139725161 186023868 /nfs/dbraw/zinc/02/38/68/186023868.db2.gz GZNDWDBXUSCZSF-FZMZJTMJSA-N 1 1 306.366 2.049 20 5 DEBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000181909089 186217953 /nfs/dbraw/zinc/21/79/53/186217953.db2.gz ACDPJAPNCJYDPU-MCIONIFRSA-N 1 1 308.378 2.455 20 5 DEBDMO COC(=O)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000191857686 186265692 /nfs/dbraw/zinc/26/56/92/186265692.db2.gz FWOCFBWBOQUGGL-DOMZBBRYSA-N 1 1 322.361 2.105 20 5 DEBDMO CNC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172180222 198053861 /nfs/dbraw/zinc/05/38/61/198053861.db2.gz WCVKRGFNFIOLBZ-JTQLQIEISA-N 1 1 311.769 2.206 20 5 DEBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172180222 198053862 /nfs/dbraw/zinc/05/38/62/198053862.db2.gz WCVKRGFNFIOLBZ-JTQLQIEISA-N 1 1 311.769 2.206 20 5 DEBDMO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000595504170 358467060 /nfs/dbraw/zinc/46/70/60/358467060.db2.gz FNPWNIJJDPFZFY-MRXNPFEDSA-N 1 1 305.378 2.218 20 5 DEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000595504170 358467061 /nfs/dbraw/zinc/46/70/61/358467061.db2.gz FNPWNIJJDPFZFY-MRXNPFEDSA-N 1 1 305.378 2.218 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000173180143 198192968 /nfs/dbraw/zinc/19/29/68/198192968.db2.gz MFINEJXZMXGFQC-LBPRGKRZSA-N 1 1 303.362 2.117 20 5 DEBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000182092893 199385440 /nfs/dbraw/zinc/38/54/40/199385440.db2.gz SPYQGCSJSBKCSG-LBPRGKRZSA-N 1 1 317.345 2.438 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000174152834 198298392 /nfs/dbraw/zinc/29/83/92/198298392.db2.gz CWKXFTNPWBYZEC-OLZOCXBDSA-N 1 1 321.377 2.280 20 5 DEBDMO COc1cc(NCC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000174714796 198374138 /nfs/dbraw/zinc/37/41/38/198374138.db2.gz CDLOPPAAUQVHAG-UHFFFAOYSA-N 1 1 309.366 2.126 20 5 DEBDMO COc1cc(NCC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000174714796 198374140 /nfs/dbraw/zinc/37/41/40/198374140.db2.gz CDLOPPAAUQVHAG-UHFFFAOYSA-N 1 1 309.366 2.126 20 5 DEBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174878064 198396298 /nfs/dbraw/zinc/39/62/98/198396298.db2.gz RRZKCOXKVVLECO-ZDUSSCGKSA-N 1 1 318.377 2.363 20 5 DEBDMO C[N@H+](Cc1ccco1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000030276794 354122773 /nfs/dbraw/zinc/12/27/73/354122773.db2.gz PIEKYQJEGZEDIZ-ZDUSSCGKSA-N 1 1 306.318 2.060 20 5 DEBDMO CC(C)[C@H](CNc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000044406522 354235426 /nfs/dbraw/zinc/23/54/26/354235426.db2.gz JWNSEFRLTJMOAN-INIZCTEOSA-N 1 1 306.410 2.279 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000047038886 354303478 /nfs/dbraw/zinc/30/34/78/354303478.db2.gz DVNBIPLTANJQMG-BETUJISGSA-N 1 1 322.409 2.411 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+]2CCOCC2(C)C)cccc1[N+](=O)[O-] ZINC000063558805 354649462 /nfs/dbraw/zinc/64/94/62/354649462.db2.gz STVUDGMQAVLCAQ-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000063661113 354651152 /nfs/dbraw/zinc/65/11/52/354651152.db2.gz ATXGMRHVGCNFJG-LBPRGKRZSA-N 1 1 316.361 2.095 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1CCO ZINC000070950553 354892150 /nfs/dbraw/zinc/89/21/50/354892150.db2.gz WCOFUXHHOFRRPQ-ZDUSSCGKSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1CCO ZINC000070950553 354892154 /nfs/dbraw/zinc/89/21/54/354892154.db2.gz WCOFUXHHOFRRPQ-ZDUSSCGKSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)ncc1[N+](=O)[O-] ZINC000074726674 355045279 /nfs/dbraw/zinc/04/52/79/355045279.db2.gz KVLRMAHJEGYKEW-CYBMUJFWSA-N 1 1 308.382 2.067 20 5 DEBDMO O=[N+]([O-])c1c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2sccn21 ZINC000075721835 355103799 /nfs/dbraw/zinc/10/37/99/355103799.db2.gz VHGBQRUIRRTDLY-SECBINFHSA-N 1 1 318.362 2.411 20 5 DEBDMO Cc1nn(C)c(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000078526975 355266001 /nfs/dbraw/zinc/26/60/01/355266001.db2.gz QOIWTMOLDSZQEG-CYBMUJFWSA-N 1 1 307.398 2.313 20 5 DEBDMO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000079914855 355336480 /nfs/dbraw/zinc/33/64/80/355336480.db2.gz XUINZTPQURFVSA-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+](CCOCCO)C1CCC1 ZINC000595598540 358497216 /nfs/dbraw/zinc/49/72/16/358497216.db2.gz GBLCPOQYCKWIMJ-UHFFFAOYSA-N 1 1 312.341 2.097 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+](CCOCCO)C1CCC1 ZINC000595598540 358497218 /nfs/dbraw/zinc/49/72/18/358497218.db2.gz GBLCPOQYCKWIMJ-UHFFFAOYSA-N 1 1 312.341 2.097 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108431886 355735105 /nfs/dbraw/zinc/73/51/05/355735105.db2.gz KNIISBGNEODGSB-ZDUSSCGKSA-N 1 1 304.350 2.201 20 5 DEBDMO CO[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618305192 363455070 /nfs/dbraw/zinc/45/50/70/363455070.db2.gz DEDBVBJMRDQGDU-LBPRGKRZSA-N 1 1 304.350 2.472 20 5 DEBDMO CO[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618305192 363455075 /nfs/dbraw/zinc/45/50/75/363455075.db2.gz DEDBVBJMRDQGDU-LBPRGKRZSA-N 1 1 304.350 2.472 20 5 DEBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134882749 355862484 /nfs/dbraw/zinc/86/24/84/355862484.db2.gz VTGOPPQAWZZBJV-ZDUSSCGKSA-N 1 1 323.780 2.462 20 5 DEBDMO Cc1cccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000141861170 355892210 /nfs/dbraw/zinc/89/22/10/355892210.db2.gz CJVJPOWRFVYLAD-CYBMUJFWSA-N 1 1 303.362 2.214 20 5 DEBDMO C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000320061201 356443576 /nfs/dbraw/zinc/44/35/76/356443576.db2.gz UTRFPJXEMCOKFK-CQSZACIVSA-N 1 1 320.437 2.271 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000293915370 283169196 /nfs/dbraw/zinc/16/91/96/283169196.db2.gz OWJOQTOTCDOZFV-HNNXBMFYSA-N 1 1 323.780 2.416 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](n3ccnn3)C2)cc1 ZINC000425499755 283209538 /nfs/dbraw/zinc/20/95/38/283209538.db2.gz KADOOOCNCWDTKL-HNNXBMFYSA-N 1 1 301.350 2.066 20 5 DEBDMO CCOc1cc(C[N@H+](C)C2(C(N)=O)CCCC2)ccc1[N+](=O)[O-] ZINC000276908696 213168859 /nfs/dbraw/zinc/16/88/59/213168859.db2.gz MYUOTNMLVQSKHT-UHFFFAOYSA-N 1 1 321.377 2.223 20 5 DEBDMO CCOc1cc(C[N@@H+](C)C2(C(N)=O)CCCC2)ccc1[N+](=O)[O-] ZINC000276908696 213168862 /nfs/dbraw/zinc/16/88/62/213168862.db2.gz MYUOTNMLVQSKHT-UHFFFAOYSA-N 1 1 321.377 2.223 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000578678797 356855589 /nfs/dbraw/zinc/85/55/89/356855589.db2.gz LBIJXVGDPVPQCA-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000578678797 356855590 /nfs/dbraw/zinc/85/55/90/356855590.db2.gz LBIJXVGDPVPQCA-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000581745937 357241591 /nfs/dbraw/zinc/24/15/91/357241591.db2.gz XRVSEONVPFLJSE-GFCCVEGCSA-N 1 1 323.418 2.483 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000581745937 357241597 /nfs/dbraw/zinc/24/15/97/357241597.db2.gz XRVSEONVPFLJSE-GFCCVEGCSA-N 1 1 323.418 2.483 20 5 DEBDMO CCCCC[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276834426 213122733 /nfs/dbraw/zinc/12/27/33/213122733.db2.gz BKOCYAMQHHIOPE-UHFFFAOYSA-N 1 1 323.393 2.471 20 5 DEBDMO CCCCC[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276834426 213122735 /nfs/dbraw/zinc/12/27/35/213122735.db2.gz BKOCYAMQHHIOPE-UHFFFAOYSA-N 1 1 323.393 2.471 20 5 DEBDMO CS[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590656518 357573773 /nfs/dbraw/zinc/57/37/73/357573773.db2.gz CSMLERWZOWWPRS-LLVKDONJSA-N 1 1 310.375 2.303 20 5 DEBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000590781104 357610791 /nfs/dbraw/zinc/61/07/91/357610791.db2.gz MONSHARUCPEEDB-UHFFFAOYSA-N 1 1 314.345 2.018 20 5 DEBDMO CC(C)(C)C[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591014045 357661063 /nfs/dbraw/zinc/66/10/63/357661063.db2.gz YSSSZMIYYNKPOA-UHFFFAOYSA-N 1 1 323.393 2.264 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000591061710 357668146 /nfs/dbraw/zinc/66/81/46/357668146.db2.gz FOIXOAVFBVMZGK-GOEBONIOSA-N 1 1 320.389 2.457 20 5 DEBDMO C[C@H]1[C@H](CO)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591056148 357668356 /nfs/dbraw/zinc/66/83/56/357668356.db2.gz XRNOQFJKVHJELU-KBPBESRZSA-N 1 1 308.378 2.457 20 5 DEBDMO COc1cc(C(=O)N2CC[N@H+](C)CC2(C)C)cc([N+](=O)[O-])c1C ZINC000276778527 213104547 /nfs/dbraw/zinc/10/45/47/213104547.db2.gz HYFWOHOEAQMYQT-UHFFFAOYSA-N 1 1 321.377 2.078 20 5 DEBDMO COc1cc(C(=O)N2CC[N@@H+](C)CC2(C)C)cc([N+](=O)[O-])c1C ZINC000276778527 213104549 /nfs/dbraw/zinc/10/45/49/213104549.db2.gz HYFWOHOEAQMYQT-UHFFFAOYSA-N 1 1 321.377 2.078 20 5 DEBDMO CCCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+](C)C1 ZINC000592828074 357952356 /nfs/dbraw/zinc/95/23/56/357952356.db2.gz AYPFEOARFNAYKY-OAHLLOKOSA-N 1 1 319.405 2.388 20 5 DEBDMO CCCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@H]1CC[N@@H+](C)C1 ZINC000592829757 357952622 /nfs/dbraw/zinc/95/26/22/357952622.db2.gz YAWTYMSHWHZSSI-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CCCN(C(=O)c1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+](C)C1 ZINC000592830378 357952846 /nfs/dbraw/zinc/95/28/46/357952846.db2.gz DNGLZVUXJBSRLN-CYBMUJFWSA-N 1 1 305.378 2.460 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593408774 358071587 /nfs/dbraw/zinc/07/15/87/358071587.db2.gz UPGNGKKNZHSURS-LBPRGKRZSA-N 1 1 323.368 2.125 20 5 DEBDMO CC[N@@H+](CCCNC(=O)c1c[nH]nc1[N+](=O)[O-])C1CCCCC1 ZINC000593787384 358143151 /nfs/dbraw/zinc/14/31/51/358143151.db2.gz VEFLSHQSOPBSMA-UHFFFAOYSA-N 1 1 323.397 2.092 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCCC[C@H]1CO ZINC000594016725 358189845 /nfs/dbraw/zinc/18/98/45/358189845.db2.gz GAYCIJGPXZHXLB-AWEZNQCLSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCCC[C@H]1CO ZINC000594016725 358189851 /nfs/dbraw/zinc/18/98/51/358189851.db2.gz GAYCIJGPXZHXLB-AWEZNQCLSA-N 1 1 321.377 2.079 20 5 DEBDMO C[C@@H]([NH2+]CC(=O)N(C)c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000180437574 199159676 /nfs/dbraw/zinc/15/96/76/199159676.db2.gz SJZKGYOHWMJETQ-SNVBAGLBSA-N 1 1 320.374 2.365 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C[C@H](C)O)C2CC2)cccc1[N+](=O)[O-] ZINC000594063632 358200371 /nfs/dbraw/zinc/20/03/71/358200371.db2.gz KBLFYWBPABYUIA-NSHDSACASA-N 1 1 321.377 2.077 20 5 DEBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595674530 358518411 /nfs/dbraw/zinc/51/84/11/358518411.db2.gz LDMYGXUISFWVNM-ZIAGYGMSSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595679796 358520687 /nfs/dbraw/zinc/52/06/87/358520687.db2.gz YHHULKPZCCIAQC-TZMCWYRMSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595679796 358520689 /nfs/dbraw/zinc/52/06/89/358520689.db2.gz YHHULKPZCCIAQC-TZMCWYRMSA-N 1 1 321.377 2.016 20 5 DEBDMO Cc1noc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000595395397 358439856 /nfs/dbraw/zinc/43/98/56/358439856.db2.gz VGRJLEQERNCXLZ-CMPLNLGQSA-N 1 1 305.338 2.171 20 5 DEBDMO Cc1noc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000595395397 358439861 /nfs/dbraw/zinc/43/98/61/358439861.db2.gz VGRJLEQERNCXLZ-CMPLNLGQSA-N 1 1 305.338 2.171 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1=CCCOC1 ZINC000595754569 358541811 /nfs/dbraw/zinc/54/18/11/358541811.db2.gz XXUXYCWWALGXJN-GFCCVEGCSA-N 1 1 319.361 2.200 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1=CCCOC1 ZINC000595754569 358541812 /nfs/dbraw/zinc/54/18/12/358541812.db2.gz XXUXYCWWALGXJN-GFCCVEGCSA-N 1 1 319.361 2.200 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595808740 358553238 /nfs/dbraw/zinc/55/32/38/358553238.db2.gz FFSTZDRMPLHEAL-VXGBXAGGSA-N 1 1 319.361 2.274 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595695344 358525459 /nfs/dbraw/zinc/52/54/59/358525459.db2.gz GWIBQFAVUAUTAK-CJNGLKHVSA-N 1 1 308.378 2.457 20 5 DEBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1=CCCOC1 ZINC000595747946 358539716 /nfs/dbraw/zinc/53/97/16/358539716.db2.gz QIFHYJOLQNOLDC-UHFFFAOYSA-N 1 1 302.334 2.250 20 5 DEBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1=CCCOC1 ZINC000595747946 358539718 /nfs/dbraw/zinc/53/97/18/358539718.db2.gz QIFHYJOLQNOLDC-UHFFFAOYSA-N 1 1 302.334 2.250 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596063033 358601689 /nfs/dbraw/zinc/60/16/89/358601689.db2.gz WXOQBNSGYZTBQA-LBPRGKRZSA-N 1 1 320.393 2.370 20 5 DEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181130086 199255786 /nfs/dbraw/zinc/25/57/86/199255786.db2.gz ZTDAHEGRDONTAR-GFCCVEGCSA-N 1 1 320.393 2.123 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596160837 358625976 /nfs/dbraw/zinc/62/59/76/358625976.db2.gz IEINEZSHJLHMCQ-GFCCVEGCSA-N 1 1 320.393 2.084 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596241604 358649692 /nfs/dbraw/zinc/64/96/92/358649692.db2.gz HNGWCJNLSHELSX-NSHDSACASA-N 1 1 308.382 2.226 20 5 DEBDMO COc1cc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])cc1OC ZINC000597234902 358863960 /nfs/dbraw/zinc/86/39/60/358863960.db2.gz CTHLZWXXPGWPTD-ZBEGNZNMSA-N 1 1 324.377 2.062 20 5 DEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000597714810 358986369 /nfs/dbraw/zinc/98/63/69/358986369.db2.gz JTNGYXBYURVPKG-CQSZACIVSA-N 1 1 309.391 2.214 20 5 DEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC000597716709 358987393 /nfs/dbraw/zinc/98/73/93/358987393.db2.gz SEGRQBRRMRQUDM-MRXNPFEDSA-N 1 1 321.352 2.292 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000598342024 359168990 /nfs/dbraw/zinc/16/89/90/359168990.db2.gz BIGVIBKJYCYETF-CYBMUJFWSA-N 1 1 321.377 2.208 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000598676467 359287218 /nfs/dbraw/zinc/28/72/18/359287218.db2.gz IJZHQMSBGKIPEC-WCQYABFASA-N 1 1 324.377 2.062 20 5 DEBDMO CC1(C)CC[C@@H](CO)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000598649994 359276018 /nfs/dbraw/zinc/27/60/18/359276018.db2.gz WQBMFDYSPBFLAT-ZDUSSCGKSA-N 1 1 308.378 2.457 20 5 DEBDMO COc1cc(C[NH2+]Cc2cccnc2C)c([N+](=O)[O-])cc1O ZINC000598996424 359378602 /nfs/dbraw/zinc/37/86/02/359378602.db2.gz QLIZXQWGAXOTKF-UHFFFAOYSA-N 1 1 303.318 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CC[C@H](C)[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000281204086 216151475 /nfs/dbraw/zinc/15/14/75/216151475.db2.gz CPZAIOHJYGQJKJ-LBPRGKRZSA-N 1 1 310.350 2.247 20 5 DEBDMO CC[C@H](C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000281204086 216151477 /nfs/dbraw/zinc/15/14/77/216151477.db2.gz CPZAIOHJYGQJKJ-LBPRGKRZSA-N 1 1 310.350 2.247 20 5 DEBDMO C[N@H+](CCOCCO)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602658588 360479942 /nfs/dbraw/zinc/47/99/42/360479942.db2.gz LNHHDGURAPAMAD-UHFFFAOYSA-N 1 1 322.283 2.054 20 5 DEBDMO C[N@@H+](CCOCCO)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602658588 360479946 /nfs/dbraw/zinc/47/99/46/360479946.db2.gz LNHHDGURAPAMAD-UHFFFAOYSA-N 1 1 322.283 2.054 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCOc1ccccc1C ZINC000602758534 360538699 /nfs/dbraw/zinc/53/86/99/360538699.db2.gz LZEXATWGKAIOMH-UHFFFAOYSA-N 1 1 318.377 2.419 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000602797827 360560316 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O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](CCO)C2)c2c(c1)COCO2 ZINC000609204334 361289332 /nfs/dbraw/zinc/28/93/32/361289332.db2.gz ICHJIZBQDMCNTK-LBPRGKRZSA-N 1 1 322.361 2.056 20 5 DEBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000610367750 361390601 /nfs/dbraw/zinc/39/06/01/361390601.db2.gz RDSXCWVEGMPXEC-ZDUSSCGKSA-N 1 1 324.377 2.341 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000611088427 361526129 /nfs/dbraw/zinc/52/61/29/361526129.db2.gz VBDAQOHHIQNDLB-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000611088427 361526131 /nfs/dbraw/zinc/52/61/31/361526131.db2.gz VBDAQOHHIQNDLB-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO COCC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)C ZINC000611257794 361563697 /nfs/dbraw/zinc/56/36/97/361563697.db2.gz KFHILSPRWSVWTO-UHFFFAOYSA-N 1 1 324.377 2.470 20 5 DEBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272148 361568671 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317.389 2.443 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451567543 243132364 /nfs/dbraw/zinc/13/23/64/243132364.db2.gz MYUUDGOJTXMWPB-IUODEOHRSA-N 1 1 321.377 2.280 20 5 DEBDMO C[N@@H+](CCNC(=O)Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000264095416 203713792 /nfs/dbraw/zinc/71/37/92/203713792.db2.gz AGWMGQUMLFTHCI-UHFFFAOYSA-N 1 1 305.378 2.128 20 5 DEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264892024 204244062 /nfs/dbraw/zinc/24/40/62/204244062.db2.gz FHDQFXSDDMUAOU-CYBMUJFWSA-N 1 1 320.393 2.171 20 5 DEBDMO COCc1noc([C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282554172 217085038 /nfs/dbraw/zinc/08/50/38/217085038.db2.gz XNWDNOQFXKVBIX-NSHDSACASA-N 1 1 320.349 2.360 20 5 DEBDMO COCc1noc([C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282554172 217085041 /nfs/dbraw/zinc/08/50/41/217085041.db2.gz XNWDNOQFXKVBIX-NSHDSACASA-N 1 1 320.349 2.360 20 5 DEBDMO CCCCOCCNC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271699432 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183355712 /nfs/dbraw/zinc/35/57/12/183355712.db2.gz PQFVUGNPUVHBQY-UHFFFAOYSA-N 1 1 312.757 2.418 20 5 DEBDMO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000284908349 218230324 /nfs/dbraw/zinc/23/03/24/218230324.db2.gz VDLACXAWQNDGCV-CABCVRRESA-N 1 1 319.361 2.177 20 5 DEBDMO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000284908349 218230326 /nfs/dbraw/zinc/23/03/26/218230326.db2.gz VDLACXAWQNDGCV-CABCVRRESA-N 1 1 319.361 2.177 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000271915920 209320384 /nfs/dbraw/zinc/32/03/84/209320384.db2.gz JKDFBQFLPJGMRI-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO CO[C@H](C)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000285469049 218456482 /nfs/dbraw/zinc/45/64/82/218456482.db2.gz AZWHWIQKACKRKH-GFCCVEGCSA-N 1 1 309.366 2.199 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000110732502 194354412 /nfs/dbraw/zinc/35/44/12/194354412.db2.gz FJWLQFZMPZDWCQ-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000110732502 194354413 /nfs/dbraw/zinc/35/44/13/194354413.db2.gz FJWLQFZMPZDWCQ-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CNC(=O)c1ccc(N[C@@H](C)C2=CC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000272997763 210378813 /nfs/dbraw/zinc/37/88/13/210378813.db2.gz QVGYWMJTAVADNJ-NSHDSACASA-N 1 1 318.377 2.017 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158644068 197291037 /nfs/dbraw/zinc/29/10/37/197291037.db2.gz BZBINYHTUCKGBE-CABCVRRESA-N 1 1 319.405 2.390 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000157066569 197158948 /nfs/dbraw/zinc/15/89/48/197158948.db2.gz ZSANCRJDKRDTHS-ZBFHGGJFSA-N 1 1 317.389 2.080 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000444935436 533141070 /nfs/dbraw/zinc/14/10/70/533141070.db2.gz FCVXRSYBYKZUQE-ZYHUDNBSSA-N 1 1 322.365 2.208 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000155447306 197055772 /nfs/dbraw/zinc/05/57/72/197055772.db2.gz PLUWJPWCJUAFCJ-HOCLYGCPSA-N 1 1 317.389 2.080 20 5 DEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000289718033 221176681 /nfs/dbraw/zinc/17/66/81/221176681.db2.gz IBNPVFWWHSNKRL-UHFFFAOYSA-N 1 1 306.366 2.327 20 5 DEBDMO C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000331371081 533307684 /nfs/dbraw/zinc/30/76/84/533307684.db2.gz DOJYQRTUZFHRFS-MNOVXSKESA-N 1 1 321.352 2.190 20 5 DEBDMO COc1ccccc1C[C@H](C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355338911 133018796 /nfs/dbraw/zinc/01/87/96/133018796.db2.gz HLGVWLXRBKBDMD-LBPRGKRZSA-N 1 1 318.377 2.400 20 5 DEBDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355338911 133018797 /nfs/dbraw/zinc/01/87/97/133018797.db2.gz HLGVWLXRBKBDMD-LBPRGKRZSA-N 1 1 318.377 2.400 20 5 DEBDMO COc1c(C(=O)NCC[N@@H+](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000355652497 133039889 /nfs/dbraw/zinc/03/98/89/133039889.db2.gz CDRMOLHRROKMLB-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000355733513 133044491 /nfs/dbraw/zinc/04/44/91/133044491.db2.gz LKKSXTHXIYQGFO-NWDGAFQWSA-N 1 1 322.361 2.377 20 5 DEBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358132325 133123234 /nfs/dbraw/zinc/12/32/34/133123234.db2.gz OVEWHTOGRONNHS-LLVKDONJSA-N 1 1 323.368 2.174 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358132325 133123235 /nfs/dbraw/zinc/12/32/35/133123235.db2.gz OVEWHTOGRONNHS-LLVKDONJSA-N 1 1 323.368 2.174 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCOC(C)(C)C1 ZINC000377391772 133328504 /nfs/dbraw/zinc/32/85/04/133328504.db2.gz NKIURINOJFCOAD-GFCCVEGCSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCOC(C)(C)C1 ZINC000377391772 133328505 /nfs/dbraw/zinc/32/85/05/133328505.db2.gz NKIURINOJFCOAD-GFCCVEGCSA-N 1 1 321.377 2.423 20 5 DEBDMO CCC[C@@H](C(=O)OCC)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373271838 133384561 /nfs/dbraw/zinc/38/45/61/133384561.db2.gz FGRVHXFEWXAZRB-ZDUSSCGKSA-N 1 1 324.381 2.160 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000563989654 292082811 /nfs/dbraw/zinc/08/28/11/292082811.db2.gz KPLAJNNTPCKZMX-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000563989654 292082812 /nfs/dbraw/zinc/08/28/12/292082812.db2.gz KPLAJNNTPCKZMX-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000191839549 145065591 /nfs/dbraw/zinc/06/55/91/145065591.db2.gz CIMLSMXZHBFAAA-AAEUAGOBSA-N 1 1 322.361 2.234 20 5 DEBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000191839549 145065592 /nfs/dbraw/zinc/06/55/92/145065592.db2.gz CIMLSMXZHBFAAA-AAEUAGOBSA-N 1 1 322.361 2.234 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000249048495 145176908 /nfs/dbraw/zinc/17/69/08/145176908.db2.gz HRUCMCHETMJUJP-IUODEOHRSA-N 1 1 322.361 2.105 20 5 DEBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346158915 146027322 /nfs/dbraw/zinc/02/73/22/146027322.db2.gz CRUYXYBRUXJBMT-WOSRLPQWSA-N 1 1 317.389 2.397 20 5 DEBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346165071 146028763 /nfs/dbraw/zinc/02/87/63/146028763.db2.gz DRTMVBCWGGBYPS-GMXVVIOVSA-N 1 1 323.418 2.459 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000346639186 146115471 /nfs/dbraw/zinc/11/54/71/146115471.db2.gz JPGVTDFTQCDVFR-CABCVRRESA-N 1 1 321.421 2.353 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1COC[C@@H]1O ZINC000348638268 146294016 /nfs/dbraw/zinc/29/40/16/146294016.db2.gz VTEVSOMWBAMQEI-CABCVRRESA-N 1 1 318.329 2.046 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000357236505 147070382 /nfs/dbraw/zinc/07/03/82/147070382.db2.gz KHACTZVQVRAMTQ-LLVKDONJSA-N 1 1 308.382 2.097 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000371598733 148121707 /nfs/dbraw/zinc/12/17/07/148121707.db2.gz YAGGBJRBPWIXIR-JTQLQIEISA-N 1 1 309.391 2.403 20 5 DEBDMO Cc1c(CC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000372179391 148178659 /nfs/dbraw/zinc/17/86/59/148178659.db2.gz CIEKJYVQFFUEAQ-GJZGRUSLSA-N 1 1 317.389 2.189 20 5 DEBDMO COc1cc(C[NH+]2CCC3(CCO3)CC2)c([N+](=O)[O-])cc1OC ZINC000374320319 148230622 /nfs/dbraw/zinc/23/06/22/148230622.db2.gz HTIDSXHJOOKCSU-UHFFFAOYSA-N 1 1 322.361 2.367 20 5 DEBDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)NCc1ccco1 ZINC000111399031 401714226 /nfs/dbraw/zinc/71/42/26/401714226.db2.gz JXAPGTVJVNCSPX-SECBINFHSA-N 1 1 309.347 2.044 20 5 DEBDMO COC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000112633503 401751817 /nfs/dbraw/zinc/75/18/17/401751817.db2.gz KEEXGVYGGXQEPX-CQSZACIVSA-N 1 1 322.361 2.139 20 5 DEBDMO COC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000112633503 401751819 /nfs/dbraw/zinc/75/18/19/401751819.db2.gz KEEXGVYGGXQEPX-CQSZACIVSA-N 1 1 322.361 2.139 20 5 DEBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000113230668 401771447 /nfs/dbraw/zinc/77/14/47/401771447.db2.gz QPVSIPLHDMAOTJ-QJXJPNQISA-N 1 1 315.373 2.303 20 5 DEBDMO CO[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000076348038 401792677 /nfs/dbraw/zinc/79/26/77/401792677.db2.gz MMYMPDGTXQAYQC-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000131503979 401851678 /nfs/dbraw/zinc/85/16/78/401851678.db2.gz KLZHDVOJMFIYOJ-GFCCVEGCSA-N 1 1 323.368 2.267 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087260162 401929822 /nfs/dbraw/zinc/92/98/22/401929822.db2.gz DLAQIEVSRCSFDE-ZDUSSCGKSA-N 1 1 307.394 2.374 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000037643933 401916507 /nfs/dbraw/zinc/91/65/07/401916507.db2.gz PHCGHNUWCHLMOR-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134884146 401918394 /nfs/dbraw/zinc/91/83/94/401918394.db2.gz ARQUNBZGBMMAGS-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000119078587 401924137 /nfs/dbraw/zinc/92/41/37/401924137.db2.gz VVKMZAZUSPOKOS-UHFFFAOYSA-N 1 1 317.389 2.348 20 5 DEBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000119078587 401924140 /nfs/dbraw/zinc/92/41/40/401924140.db2.gz VVKMZAZUSPOKOS-UHFFFAOYSA-N 1 1 317.389 2.348 20 5 DEBDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000135429523 401939063 /nfs/dbraw/zinc/93/90/63/401939063.db2.gz HPTRNNIYNXOTJC-GFCCVEGCSA-N 1 1 309.391 2.021 20 5 DEBDMO COC[C@@](C)(CCO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119319878 401941174 /nfs/dbraw/zinc/94/11/74/401941174.db2.gz FZNKIAHDSKUUDO-CYBMUJFWSA-N 1 1 302.758 2.125 20 5 DEBDMO Cc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc([N+](=O)[O-])c1 ZINC000119344509 401942723 /nfs/dbraw/zinc/94/27/23/401942723.db2.gz CXKFRQAPUHIDLS-XJKSGUPXSA-N 1 1 317.389 2.460 20 5 DEBDMO Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000093277860 402013076 /nfs/dbraw/zinc/01/30/76/402013076.db2.gz RHYHPZIKLGOVBM-OAHLLOKOSA-N 1 1 317.389 2.490 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000093277860 402013080 /nfs/dbraw/zinc/01/30/80/402013080.db2.gz RHYHPZIKLGOVBM-OAHLLOKOSA-N 1 1 317.389 2.490 20 5 DEBDMO C[N@H+](CCc1ccncc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121470017 402038041 /nfs/dbraw/zinc/03/80/41/402038041.db2.gz HXZOQVKMGOGQIV-UHFFFAOYSA-N 1 1 314.345 2.103 20 5 DEBDMO C[N@@H+](CCc1ccncc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121470017 402038043 /nfs/dbraw/zinc/03/80/43/402038043.db2.gz HXZOQVKMGOGQIV-UHFFFAOYSA-N 1 1 314.345 2.103 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@]3(CCOC3)C2)c2c(c1)COCO2 ZINC000153390302 402142490 /nfs/dbraw/zinc/14/24/90/402142490.db2.gz DDKHEKKDKPXEGT-INIZCTEOSA-N 1 1 320.345 2.074 20 5 DEBDMO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153904883 402178983 /nfs/dbraw/zinc/17/89/83/402178983.db2.gz FDTOSXIFXDAYCC-XVJNWHFHSA-N 1 1 303.362 2.161 20 5 DEBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153933109 402180934 /nfs/dbraw/zinc/18/09/34/402180934.db2.gz QQCGILLPVFWFKK-SECBINFHSA-N 1 1 300.742 2.489 20 5 DEBDMO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000153968007 402183742 /nfs/dbraw/zinc/18/37/42/402183742.db2.gz OGMMPDMBNIFSPV-CQSZACIVSA-N 1 1 321.377 2.016 20 5 DEBDMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000153968007 402183745 /nfs/dbraw/zinc/18/37/45/402183745.db2.gz OGMMPDMBNIFSPV-CQSZACIVSA-N 1 1 321.377 2.016 20 5 DEBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000126130744 402265572 /nfs/dbraw/zinc/26/55/72/402265572.db2.gz RZMFYDAYQADEJX-JTQLQIEISA-N 1 1 323.780 2.462 20 5 DEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000184702912 402293264 /nfs/dbraw/zinc/29/32/64/402293264.db2.gz JYQMRAJTMHXJBL-GJZGRUSLSA-N 1 1 319.405 2.231 20 5 DEBDMO Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177079549 402367724 /nfs/dbraw/zinc/36/77/24/402367724.db2.gz JXENZFYOOSKUGR-DGCLKSJQSA-N 1 1 303.362 2.258 20 5 DEBDMO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000185755700 402374119 /nfs/dbraw/zinc/37/41/19/402374119.db2.gz RVHWYASGXWGHRD-UHFFFAOYSA-N 1 1 323.397 2.092 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000161689356 402395919 /nfs/dbraw/zinc/39/59/19/402395919.db2.gz PACSEAMLCPFGFP-LLVKDONJSA-N 1 1 311.407 2.364 20 5 DEBDMO CC[N@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000246974593 402551738 /nfs/dbraw/zinc/55/17/38/402551738.db2.gz JQTOILUFGJVGKQ-SWLSCSKDSA-N 1 1 307.394 2.423 20 5 DEBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000189432614 402537120 /nfs/dbraw/zinc/53/71/20/402537120.db2.gz VAGATJQUQRMNCW-LBPRGKRZSA-N 1 1 322.283 2.349 20 5 DEBDMO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000189432614 402537124 /nfs/dbraw/zinc/53/71/24/402537124.db2.gz VAGATJQUQRMNCW-LBPRGKRZSA-N 1 1 322.283 2.349 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C)C[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000178782219 402539427 /nfs/dbraw/zinc/53/94/27/402539427.db2.gz RMVWKDHKRXWDLW-CYBMUJFWSA-N 1 1 321.377 2.200 20 5 DEBDMO COc1cc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000248634850 402599995 /nfs/dbraw/zinc/59/99/95/402599995.db2.gz SYIYZLGTZLELPB-QMTHXVAHSA-N 1 1 312.341 2.335 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248675689 402603007 /nfs/dbraw/zinc/60/30/07/402603007.db2.gz YMQUHBMNXOAHGF-QWHCGFSZSA-N 1 1 307.398 2.040 20 5 DEBDMO CC(C)c1[nH+]ccn1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000182793645 402716680 /nfs/dbraw/zinc/71/66/80/402716680.db2.gz FGQDVESNXKIBJN-UHFFFAOYSA-N 1 1 302.334 2.231 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255106680 402678706 /nfs/dbraw/zinc/67/87/06/402678706.db2.gz QQILZERGNPXJFX-WSROAFLRSA-N 1 1 303.362 2.066 20 5 DEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183610794 402781062 /nfs/dbraw/zinc/78/10/62/402781062.db2.gz JLOGBBACTAIFIE-NEPJUHHUSA-N 1 1 319.365 2.080 20 5 DEBDMO C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+](C)C1CC1 ZINC000263961606 402825151 /nfs/dbraw/zinc/82/51/51/402825151.db2.gz XNOKLQBNCJNWSU-JTQLQIEISA-N 1 1 316.361 2.289 20 5 DEBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195094529 402831090 /nfs/dbraw/zinc/83/10/90/402831090.db2.gz OXILUFCJODSHTQ-WAVCKPEOSA-N 1 1 315.373 2.305 20 5 DEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000265260186 402905287 /nfs/dbraw/zinc/90/52/87/402905287.db2.gz YGJYWUOLCDEDEQ-LLVKDONJSA-N 1 1 308.338 2.281 20 5 DEBDMO Cn1cc([C@@H](CO)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000278828781 402875831 /nfs/dbraw/zinc/87/58/31/402875831.db2.gz TTYJACUMKNGAIA-JKSUJKDBSA-N 1 1 316.361 2.029 20 5 DEBDMO C[C@H](CCO)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272502530 402945128 /nfs/dbraw/zinc/94/51/28/402945128.db2.gz HEDMGMVKWRRRHL-DOMZBBRYSA-N 1 1 318.377 2.026 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273515319 403011242 /nfs/dbraw/zinc/01/12/42/403011242.db2.gz XQEFJQAWQUTLRM-OTYXRUKQSA-N 1 1 322.340 2.338 20 5 DEBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)nc1 ZINC000273613751 403020144 /nfs/dbraw/zinc/02/01/44/403020144.db2.gz MRMGFYLKPQBSJP-CQSZACIVSA-N 1 1 313.361 2.461 20 5 DEBDMO C[C@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)C[N@H+]1Cc1ccccc1 ZINC000268152319 403054740 /nfs/dbraw/zinc/05/47/40/403054740.db2.gz MXZYFOYZQVBNDD-JSGCOSHPSA-N 1 1 315.377 2.403 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000268221347 403063271 /nfs/dbraw/zinc/06/32/71/403063271.db2.gz QIEOOBOUTXQRJX-XFSMAHNFSA-N 1 1 315.373 2.207 20 5 DEBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268481328 403086943 /nfs/dbraw/zinc/08/69/43/403086943.db2.gz OAKYUHDGFBSXRE-ZDUSSCGKSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268481328 403086944 /nfs/dbraw/zinc/08/69/44/403086944.db2.gz OAKYUHDGFBSXRE-ZDUSSCGKSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268481328 403086945 /nfs/dbraw/zinc/08/69/45/403086945.db2.gz OAKYUHDGFBSXRE-ZDUSSCGKSA-N 1 1 301.350 2.401 20 5 DEBDMO C[N@@H+](CCCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000281740118 403087079 /nfs/dbraw/zinc/08/70/79/403087079.db2.gz JWOSQBGLTOCKJZ-UHFFFAOYSA-N 1 1 303.156 2.172 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000269870045 403171937 /nfs/dbraw/zinc/17/19/37/403171937.db2.gz YIGSTNCDTMMWMK-STQMWFEESA-N 1 1 321.377 2.077 20 5 DEBDMO CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000270814439 403227449 /nfs/dbraw/zinc/22/74/49/403227449.db2.gz XHNKCDBUEAFJFK-LBPRGKRZSA-N 1 1 309.366 2.199 20 5 DEBDMO CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000270814439 403227452 /nfs/dbraw/zinc/22/74/52/403227452.db2.gz XHNKCDBUEAFJFK-LBPRGKRZSA-N 1 1 309.366 2.199 20 5 DEBDMO C[C@H](CO)[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000276453036 403176659 /nfs/dbraw/zinc/17/66/59/403176659.db2.gz NGWXAIFBOHYGDF-MLGOLLRUSA-N 1 1 308.378 2.254 20 5 DEBDMO C[C@H]1OCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000283224433 403181997 /nfs/dbraw/zinc/18/19/97/403181997.db2.gz IGBFSSHEOZSSEW-NWDGAFQWSA-N 1 1 307.350 2.033 20 5 DEBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000277609084 403236488 /nfs/dbraw/zinc/23/64/88/403236488.db2.gz VCAUNWOYCMDPST-CYBMUJFWSA-N 1 1 303.362 2.342 20 5 DEBDMO CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000283367071 403192351 /nfs/dbraw/zinc/19/23/51/403192351.db2.gz RZZKKOVQFHXWPY-UHFFFAOYSA-N 1 1 323.393 2.406 20 5 DEBDMO CC[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1O ZINC000270985743 403249671 /nfs/dbraw/zinc/24/96/71/403249671.db2.gz XTCUKYXBXFLUFY-ABAIWWIYSA-N 1 1 317.345 2.453 20 5 DEBDMO C[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C(C)(C)C1 ZINC000271035963 403256088 /nfs/dbraw/zinc/25/60/88/403256088.db2.gz LWSHNXZUUTZPTN-UHFFFAOYSA-N 1 1 316.361 2.242 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C(C)(C)C1 ZINC000271035963 403256090 /nfs/dbraw/zinc/25/60/90/403256090.db2.gz LWSHNXZUUTZPTN-UHFFFAOYSA-N 1 1 316.361 2.242 20 5 DEBDMO COC[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000271186658 403275520 /nfs/dbraw/zinc/27/55/20/403275520.db2.gz NZIYNNNVXDWCHP-LLVKDONJSA-N 1 1 310.350 2.080 20 5 DEBDMO C[N@H+]1CC[C@@](O)(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000342833146 403365699 /nfs/dbraw/zinc/36/56/99/403365699.db2.gz XTQDAPGLAODZFW-GFCCVEGCSA-N 1 1 320.176 2.380 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+](C2CCC2)C1 ZINC000292305311 403349725 /nfs/dbraw/zinc/34/97/25/403349725.db2.gz IFRJQSYJRBXAMZ-NSHDSACASA-N 1 1 307.350 2.134 20 5 DEBDMO COc1c(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000331062738 403319500 /nfs/dbraw/zinc/31/95/00/403319500.db2.gz ONRXEQLFUYODPU-AWEZNQCLSA-N 1 1 321.377 2.016 20 5 DEBDMO COc1c(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000331062738 403319502 /nfs/dbraw/zinc/31/95/02/403319502.db2.gz ONRXEQLFUYODPU-AWEZNQCLSA-N 1 1 321.377 2.016 20 5 DEBDMO COc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000292251671 403334548 /nfs/dbraw/zinc/33/45/48/403334548.db2.gz KEBOVVZFKRZPHJ-OAHLLOKOSA-N 1 1 309.341 2.275 20 5 DEBDMO CSc1cccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000331477986 403394152 /nfs/dbraw/zinc/39/41/52/403394152.db2.gz JDMVDHIFNZIWJA-JTQLQIEISA-N 1 1 321.402 2.283 20 5 DEBDMO Cc1c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000286024257 403433172 /nfs/dbraw/zinc/43/31/72/403433172.db2.gz QBIRKGPGFBJNJF-BBRMVZONSA-N 1 1 319.405 2.198 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000286101780 403449751 /nfs/dbraw/zinc/44/97/51/403449751.db2.gz CYVJVFZOKYQNLN-MWLCHTKSSA-N 1 1 319.390 2.130 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000299214405 403548364 /nfs/dbraw/zinc/54/83/64/403548364.db2.gz GDVKNMKUZWRYTH-ZDUSSCGKSA-N 1 1 321.377 2.079 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345962942 403551304 /nfs/dbraw/zinc/55/13/04/403551304.db2.gz PWGDQVJJYRORSO-STQMWFEESA-N 1 1 305.378 2.078 20 5 DEBDMO C[C@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000301111240 403591684 /nfs/dbraw/zinc/59/16/84/403591684.db2.gz WFODYRCKOXFXGH-ZDUSSCGKSA-N 1 1 305.378 2.284 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000343573685 403646440 /nfs/dbraw/zinc/64/64/40/403646440.db2.gz QEODHBURHMADMU-ZDUSSCGKSA-N 1 1 321.377 2.208 20 5 DEBDMO Cc1cccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cn3)CC2)c1 ZINC000302082351 403708195 /nfs/dbraw/zinc/70/81/95/403708195.db2.gz COARKVQISABVIJ-UHFFFAOYSA-N 1 1 313.361 2.015 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000301702557 403666920 /nfs/dbraw/zinc/66/69/20/403666920.db2.gz GXZDFHOUHKSVTL-ZDUSSCGKSA-N 1 1 315.377 2.491 20 5 DEBDMO CC[C@]1(C)COCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000340870158 403680685 /nfs/dbraw/zinc/68/06/85/403680685.db2.gz LXDGRVHZABVFBI-MRXNPFEDSA-N 1 1 324.377 2.483 20 5 DEBDMO CC[C@]1(C)COCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000340870158 403680687 /nfs/dbraw/zinc/68/06/87/403680687.db2.gz LXDGRVHZABVFBI-MRXNPFEDSA-N 1 1 324.377 2.483 20 5 DEBDMO CNC(=O)[C@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347369491 403683098 /nfs/dbraw/zinc/68/30/98/403683098.db2.gz OFGALTJNXPGPDG-CTXBLAANSA-N 1 1 317.389 2.456 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287932363 403694530 /nfs/dbraw/zinc/69/45/30/403694530.db2.gz QZELPTHOEOMDPB-LDYMZIIASA-N 1 1 319.390 2.494 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C(C)(C)C1 ZINC000347472568 403722216 /nfs/dbraw/zinc/72/22/16/403722216.db2.gz CSVLLBIXEMNBMB-UHFFFAOYSA-N 1 1 316.361 2.242 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)C(C)(C)O ZINC000295079651 403752484 /nfs/dbraw/zinc/75/24/84/403752484.db2.gz DGMKJQLGAKYEFM-GFCCVEGCSA-N 1 1 323.393 2.323 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000411411545 403849326 /nfs/dbraw/zinc/84/93/26/403849326.db2.gz YGCOVSPOQMGDOM-ZDUSSCGKSA-N 1 1 309.391 2.361 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000411411543 403849381 /nfs/dbraw/zinc/84/93/81/403849381.db2.gz YGCOVSPOQMGDOM-CYBMUJFWSA-N 1 1 309.391 2.361 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)CO)cccc1[N+](=O)[O-] ZINC000295371505 403888339 /nfs/dbraw/zinc/88/83/39/403888339.db2.gz ZWDDTWDCNQXNLH-LBPRGKRZSA-N 1 1 323.393 2.181 20 5 DEBDMO Nc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000309767818 403963019 /nfs/dbraw/zinc/96/30/19/403963019.db2.gz GUFGBXFYERZPBQ-ZDUSSCGKSA-N 1 1 313.361 2.258 20 5 DEBDMO C[C@H]1C[C@H](CO)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000344152441 403941763 /nfs/dbraw/zinc/94/17/63/403941763.db2.gz UAZLAWFIIZSAHA-WDEREUQCSA-N 1 1 304.350 2.064 20 5 DEBDMO C[C@H]1C[C@H](CO)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000344152441 403941767 /nfs/dbraw/zinc/94/17/67/403941767.db2.gz UAZLAWFIIZSAHA-WDEREUQCSA-N 1 1 304.350 2.064 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCNC(=O)N(C)C ZINC000352783327 292295422 /nfs/dbraw/zinc/29/54/22/292295422.db2.gz JIEDXSPCCDEWRP-LBPRGKRZSA-N 1 1 308.382 2.167 20 5 DEBDMO CCC[C@]1(CO)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000344170187 403956226 /nfs/dbraw/zinc/95/62/26/403956226.db2.gz QOJCNXZCAKXWCO-INIZCTEOSA-N 1 1 318.377 2.456 20 5 DEBDMO CCC[C@]1(CO)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000344170187 403956232 /nfs/dbraw/zinc/95/62/32/403956232.db2.gz QOJCNXZCAKXWCO-INIZCTEOSA-N 1 1 318.377 2.456 20 5 DEBDMO CC[C@@]1(C)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000344234596 403998442 /nfs/dbraw/zinc/99/84/42/403998442.db2.gz LOAVBYHVENZBBY-ZBFHGGJFSA-N 1 1 308.378 2.457 20 5 DEBDMO Cc1ccc(-c2noc(CCc3c[nH+]cn3C)n2)cc1[N+](=O)[O-] ZINC000290080987 404031784 /nfs/dbraw/zinc/03/17/84/404031784.db2.gz KUPCWCZFBAVAFT-UHFFFAOYSA-N 1 1 313.317 2.472 20 5 DEBDMO C[C@@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347952627 403974756 /nfs/dbraw/zinc/97/47/56/403974756.db2.gz YMIWTUAGFRBKBE-VXGBXAGGSA-N 1 1 323.368 2.390 20 5 DEBDMO COc1ccc(OCC[NH2+][C@@H](C)c2csnn2)c([N+](=O)[O-])c1 ZINC000412048373 404087499 /nfs/dbraw/zinc/08/74/99/404087499.db2.gz XLPXEGGBDDLAQV-VIFPVBQESA-N 1 1 324.362 2.185 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000351980250 404054520 /nfs/dbraw/zinc/05/45/20/404054520.db2.gz BDJROSGZFUHYTQ-CYBMUJFWSA-N 1 1 319.405 2.425 20 5 DEBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412064926 404103431 /nfs/dbraw/zinc/10/34/31/404103431.db2.gz CHYUBJUPLQOHGH-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO CCOc1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)ccc1[N+](=O)[O-] ZINC000369595523 404158708 /nfs/dbraw/zinc/15/87/08/404158708.db2.gz DFIGIFAWZFZROR-ZDUSSCGKSA-N 1 1 317.349 2.032 20 5 DEBDMO CCOc1cc(C[N@H+]2CC[C@H](n3cncn3)C2)ccc1[N+](=O)[O-] ZINC000369595523 404158712 /nfs/dbraw/zinc/15/87/12/404158712.db2.gz DFIGIFAWZFZROR-ZDUSSCGKSA-N 1 1 317.349 2.032 20 5 DEBDMO C[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000349842086 404223682 /nfs/dbraw/zinc/22/36/82/404223682.db2.gz YDTGNIBYSDWCAW-UHFFFAOYSA-N 1 1 305.359 2.240 20 5 DEBDMO C[N@@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000349842086 404223692 /nfs/dbraw/zinc/22/36/92/404223692.db2.gz YDTGNIBYSDWCAW-UHFFFAOYSA-N 1 1 305.359 2.240 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000341827006 404197426 /nfs/dbraw/zinc/19/74/26/404197426.db2.gz UGFYEWZTIOUISU-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000341827006 404197433 /nfs/dbraw/zinc/19/74/33/404197433.db2.gz UGFYEWZTIOUISU-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000290785708 404312073 /nfs/dbraw/zinc/31/20/73/404312073.db2.gz NPYRDVBHRUUPJN-GOEBONIOSA-N 1 1 320.389 2.455 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621023 404497056 /nfs/dbraw/zinc/49/70/56/404497056.db2.gz KSXJJNDOVBAWBV-CQSZACIVSA-N 1 1 305.378 2.274 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000338766356 404530530 /nfs/dbraw/zinc/53/05/30/404530530.db2.gz JASZHUCDDAOPTR-UHFFFAOYSA-N 1 1 309.366 2.064 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000291806344 404531295 /nfs/dbraw/zinc/53/12/95/404531295.db2.gz CKECXZZBMAHVQL-CYBMUJFWSA-N 1 1 323.393 2.209 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000351541121 404634599 /nfs/dbraw/zinc/63/45/99/404634599.db2.gz CQEYINPCUXWRIP-UHFFFAOYSA-N 1 1 301.350 2.068 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330572776 404690937 /nfs/dbraw/zinc/69/09/37/404690937.db2.gz DQWDODYGRDQBNB-WDEREUQCSA-N 1 1 306.366 2.003 20 5 DEBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352894490 404684589 /nfs/dbraw/zinc/68/45/89/404684589.db2.gz SWKSYAHWHKTCRV-CHWSQXEVSA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352894490 404684591 /nfs/dbraw/zinc/68/45/91/404684591.db2.gz SWKSYAHWHKTCRV-CHWSQXEVSA-N 1 1 323.368 2.029 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000330580521 404693025 /nfs/dbraw/zinc/69/30/25/404693025.db2.gz QEMSBFGSKZDEED-UONOGXRCSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000356833224 404702665 /nfs/dbraw/zinc/70/26/65/404702665.db2.gz ANUJMJVEIARXFZ-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000356833224 404702669 /nfs/dbraw/zinc/70/26/69/404702669.db2.gz ANUJMJVEIARXFZ-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000377335157 404836705 /nfs/dbraw/zinc/83/67/05/404836705.db2.gz FVOXKZCAPARPGS-WFASDCNBSA-N 1 1 313.361 2.460 20 5 DEBDMO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000360556245 404830551 /nfs/dbraw/zinc/83/05/51/404830551.db2.gz HUUKPULEFXLTEH-IUODEOHRSA-N 1 1 306.362 2.411 20 5 DEBDMO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000360556245 404830553 /nfs/dbraw/zinc/83/05/53/404830553.db2.gz HUUKPULEFXLTEH-IUODEOHRSA-N 1 1 306.362 2.411 20 5 DEBDMO C[C@H]1C[N@@H+](C)C[C@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000361007972 404876578 /nfs/dbraw/zinc/87/65/78/404876578.db2.gz CMSZMVZUTXXOBA-CMPLNLGQSA-N 1 1 302.334 2.234 20 5 DEBDMO C[C@@H](O)CCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353608980 404881291 /nfs/dbraw/zinc/88/12/91/404881291.db2.gz SSNOAZQTWUYBQB-DOMZBBRYSA-N 1 1 318.377 2.168 20 5 DEBDMO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC(O)C1 ZINC000353495784 404847209 /nfs/dbraw/zinc/84/72/09/404847209.db2.gz OWYQKJSSQZHHNB-UHFFFAOYSA-N 1 1 303.318 2.205 20 5 DEBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC(O)C1 ZINC000353495784 404847212 /nfs/dbraw/zinc/84/72/12/404847212.db2.gz OWYQKJSSQZHHNB-UHFFFAOYSA-N 1 1 303.318 2.205 20 5 DEBDMO C[C@@H](CCCO)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353524277 404856899 /nfs/dbraw/zinc/85/68/99/404856899.db2.gz DAMUOMOCAKCJTR-SWLSCSKDSA-N 1 1 318.377 2.168 20 5 DEBDMO C[NH+](C)CCOC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000353541914 404861323 /nfs/dbraw/zinc/86/13/23/404861323.db2.gz KCOCCGQFYZMTDP-UHFFFAOYSA-N 1 1 307.394 2.137 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000354101822 405045092 /nfs/dbraw/zinc/04/50/92/405045092.db2.gz WPTRMDSCFRGAGD-ZIAGYGMSSA-N 1 1 306.362 2.462 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424341262 405072855 /nfs/dbraw/zinc/07/28/55/405072855.db2.gz ZSUMTFRUESNDOV-ZIAGYGMSSA-N 1 1 320.393 2.091 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1N ZINC000424341262 405072860 /nfs/dbraw/zinc/07/28/60/405072860.db2.gz ZSUMTFRUESNDOV-ZIAGYGMSSA-N 1 1 320.393 2.091 20 5 DEBDMO CC[N@@H+](C[C@@H](C)OC)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361561675 405132352 /nfs/dbraw/zinc/13/23/52/405132352.db2.gz BPMLSRIVBZHWKI-IUODEOHRSA-N 1 1 321.377 2.057 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CCCO)C1 ZINC000452133688 405190076 /nfs/dbraw/zinc/19/00/76/405190076.db2.gz SMJVDLNDTYJPEU-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000367942000 405198348 /nfs/dbraw/zinc/19/83/48/405198348.db2.gz BCZDULUUQFEJRC-KGLIPLIRSA-N 1 1 319.361 2.073 20 5 DEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367988372 405211198 /nfs/dbraw/zinc/21/11/98/405211198.db2.gz KFGAENZDTCZINJ-LBPRGKRZSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425053607 405237439 /nfs/dbraw/zinc/23/74/39/405237439.db2.gz YIPQKRYGDDKXNF-DZGCQCFKSA-N 1 1 303.362 2.069 20 5 DEBDMO CC(C)[N@@H+](C)CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000427379215 405402377 /nfs/dbraw/zinc/40/23/77/405402377.db2.gz HUNUJUCCJCHGEN-UHFFFAOYSA-N 1 1 320.393 2.239 20 5 DEBDMO C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447572505 405418266 /nfs/dbraw/zinc/41/82/66/405418266.db2.gz CHKFWIZNOLHTGA-CABCVRRESA-N 1 1 319.409 2.127 20 5 DEBDMO COc1cc(CN(C)C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000421001322 405425600 /nfs/dbraw/zinc/42/56/00/405425600.db2.gz LBZCWDFSHNACKJ-GFCCVEGCSA-N 1 1 311.357 2.269 20 5 DEBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000429768704 405448177 /nfs/dbraw/zinc/44/81/77/405448177.db2.gz BAEBCVSIVSEJAE-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000578044041 405563126 /nfs/dbraw/zinc/56/31/26/405563126.db2.gz CXSZKSTZUQNGEZ-UHOFOFEASA-N 1 1 317.389 2.156 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493836533 405583304 /nfs/dbraw/zinc/58/33/04/405583304.db2.gz MVGXDIMJLRKBOZ-CDNLZTBQSA-N 1 1 303.362 2.161 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000557217589 405586753 /nfs/dbraw/zinc/58/67/53/405586753.db2.gz QEIQFYLHDYNSHF-SNVBAGLBSA-N 1 1 307.350 2.272 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000421709226 405603171 /nfs/dbraw/zinc/60/31/71/405603171.db2.gz DFCGBCMHYYCJON-OWCLPIDISA-N 1 1 317.389 2.251 20 5 DEBDMO C[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000558034445 405640084 /nfs/dbraw/zinc/64/00/84/405640084.db2.gz YEBGYIMQYZTBOD-SUMWQHHRSA-N 1 1 317.389 2.253 20 5 DEBDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457079484 405683171 /nfs/dbraw/zinc/68/31/71/405683171.db2.gz FMCDCTZSHHXYOW-AWEZNQCLSA-N 1 1 305.378 2.458 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457159765 405729665 /nfs/dbraw/zinc/72/96/65/405729665.db2.gz AGIDKVGVMXRTJA-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO CC(C)(O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000531177680 405920132 /nfs/dbraw/zinc/92/01/32/405920132.db2.gz MRVSUIDPFJUKNB-UHFFFAOYSA-N 1 1 308.378 2.347 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000471951361 406132549 /nfs/dbraw/zinc/13/25/49/406132549.db2.gz JMOPCEUGPDVFBY-LBPRGKRZSA-N 1 1 305.378 2.323 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000533432012 406143112 /nfs/dbraw/zinc/14/31/12/406143112.db2.gz WWWQATDBLPLMMZ-GHMZBOCLSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000533432012 406143118 /nfs/dbraw/zinc/14/31/18/406143118.db2.gz WWWQATDBLPLMMZ-GHMZBOCLSA-N 1 1 307.350 2.272 20 5 DEBDMO CC(C)OC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000533475718 406147512 /nfs/dbraw/zinc/14/75/12/406147512.db2.gz MQSAVFJFLAMPMO-UHFFFAOYSA-N 1 1 321.377 2.083 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000569000828 292383552 /nfs/dbraw/zinc/38/35/52/292383552.db2.gz SZBAABAQOOWEEX-UHFFFAOYSA-N 1 1 323.418 2.483 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000569000828 292383553 /nfs/dbraw/zinc/38/35/53/292383553.db2.gz SZBAABAQOOWEEX-UHFFFAOYSA-N 1 1 323.418 2.483 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488762047 406346316 /nfs/dbraw/zinc/34/63/16/406346316.db2.gz ONPULYPXVSWBQH-MBNYWOFBSA-N 1 1 321.425 2.286 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)C1 ZINC000488782102 406348045 /nfs/dbraw/zinc/34/80/45/406348045.db2.gz ZCVFHNXZRKOZAL-MRXNPFEDSA-N 1 1 313.361 2.070 20 5 DEBDMO C[C@H]1[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000488130586 406296863 /nfs/dbraw/zinc/29/68/63/406296863.db2.gz SSBWJYGSBCNVEA-AAEUAGOBSA-N 1 1 300.362 2.460 20 5 DEBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCO[C@H]1C ZINC000489473855 406410336 /nfs/dbraw/zinc/41/03/36/406410336.db2.gz JVQGCJUEZUNOHH-WFASDCNBSA-N 1 1 324.377 2.229 20 5 DEBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCO[C@H]1C ZINC000489473855 406410342 /nfs/dbraw/zinc/41/03/42/406410342.db2.gz JVQGCJUEZUNOHH-WFASDCNBSA-N 1 1 324.377 2.229 20 5 DEBDMO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1C ZINC000489478951 406411468 /nfs/dbraw/zinc/41/14/68/406411468.db2.gz XQOUHOMNGQWOAA-XJKSGUPXSA-N 1 1 324.377 2.099 20 5 DEBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000548453607 406517902 /nfs/dbraw/zinc/51/79/02/406517902.db2.gz WQXVAFHIYWBPRB-OAHLLOKOSA-N 1 1 319.405 2.470 20 5 DEBDMO CCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000491611952 406631453 /nfs/dbraw/zinc/63/14/53/406631453.db2.gz FFZKXGBERQODEN-KCQAQPDRSA-N 1 1 306.362 2.196 20 5 DEBDMO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491685286 406669641 /nfs/dbraw/zinc/66/96/41/406669641.db2.gz KTFAHAYOVSVWKZ-RZIFZGNASA-N 1 1 315.373 2.303 20 5 DEBDMO C[C@H](CO)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000132165964 196232236 /nfs/dbraw/zinc/23/22/36/196232236.db2.gz BXTHGNWNJSKHPQ-LLVKDONJSA-N 1 1 305.334 2.105 20 5 DEBDMO Cc1cc(CNc2ncc([N+](=O)[O-])cn2)cc(N2CCCC2)[nH+]1 ZINC000291127074 222156610 /nfs/dbraw/zinc/15/66/10/222156610.db2.gz MTHXAXOADQUDEH-UHFFFAOYSA-N 1 1 314.349 2.301 20 5 DEBDMO CC(C)Oc1nc(NC[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000563418027 424898759 /nfs/dbraw/zinc/89/87/59/424898759.db2.gz QDVYHGNQXIMNGQ-LBPRGKRZSA-N 1 1 320.393 2.673 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347436695 425012879 /nfs/dbraw/zinc/01/28/79/425012879.db2.gz ULUBICWQAYDWHF-NSHDSACASA-N 1 1 303.366 2.680 20 5 DEBDMO C[N@H+]1CCCC[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000599140622 425042254 /nfs/dbraw/zinc/04/22/54/425042254.db2.gz WVNNXPQBBFYDKL-GFCCVEGCSA-N 1 1 315.377 2.682 20 5 DEBDMO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000352354429 425045308 /nfs/dbraw/zinc/04/53/08/425045308.db2.gz AIBVMANVOXMFTD-GFCCVEGCSA-N 1 1 309.329 2.766 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000174670103 267502444 /nfs/dbraw/zinc/50/24/44/267502444.db2.gz KHGISBAYFVJMEQ-UHFFFAOYSA-N 1 1 323.393 2.455 20 5 DEBDMO COC[C@@H](C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353496130 269033717 /nfs/dbraw/zinc/03/37/17/269033717.db2.gz KYAQUCDSZMQEMQ-WFASDCNBSA-N 1 1 318.377 2.290 20 5 DEBDMO CNc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000390543959 269097333 /nfs/dbraw/zinc/09/73/33/269097333.db2.gz HZNSRPULPRMDNL-LBPRGKRZSA-N 1 1 320.393 2.097 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000426796773 269120778 /nfs/dbraw/zinc/12/07/78/269120778.db2.gz CCOGPLMWPUGHRA-LBPRGKRZSA-N 1 1 323.393 2.452 20 5 DEBDMO Cc1c(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)cccc1[N+](=O)[O-] ZINC000496759983 269249395 /nfs/dbraw/zinc/24/93/95/269249395.db2.gz PWXDKXMRYLVRSL-ZDUSSCGKSA-N 1 1 319.361 2.177 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000515105741 269343643 /nfs/dbraw/zinc/34/36/43/269343643.db2.gz PEFCRDQINNCWTD-LLVKDONJSA-N 1 1 302.334 2.020 20 5 DEBDMO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000275359851 274271332 /nfs/dbraw/zinc/27/13/32/274271332.db2.gz LGFWGBQJCOPREM-WDEREUQCSA-N 1 1 313.785 2.140 20 5 DEBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000275359851 274271333 /nfs/dbraw/zinc/27/13/33/274271333.db2.gz LGFWGBQJCOPREM-WDEREUQCSA-N 1 1 313.785 2.140 20 5 DEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000295266154 274652075 /nfs/dbraw/zinc/65/20/75/274652075.db2.gz RRPKGYOMTNHCQH-HNNXBMFYSA-N 1 1 321.308 2.115 20 5 DEBDMO Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286425047 274713988 /nfs/dbraw/zinc/71/39/88/274713988.db2.gz RKBMNXLJKDFMLJ-DZGCQCFKSA-N 1 1 305.378 2.203 20 5 DEBDMO CCC[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000286083178 276031606 /nfs/dbraw/zinc/03/16/06/276031606.db2.gz BSNJJVIABIMCNQ-CQSZACIVSA-N 1 1 322.409 2.114 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(N)c3F)C2)C1 ZINC000292782230 277072564 /nfs/dbraw/zinc/07/25/64/277072564.db2.gz LUTFMKRAFBTNEC-OAHLLOKOSA-N 1 1 308.357 2.238 20 5 DEBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C2 ZINC000073987634 277214933 /nfs/dbraw/zinc/21/49/33/277214933.db2.gz QHLFVFRSHZRMCX-NWDGAFQWSA-N 1 1 307.325 2.043 20 5 DEBDMO O=C1NCC[C@H]1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000573931501 326106417 /nfs/dbraw/zinc/10/64/17/326106417.db2.gz WVLZEDFETAILOX-LBPRGKRZSA-N 1 1 303.362 2.085 20 5 DEBDMO C[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CC(C)C1 ZINC000574463977 326157827 /nfs/dbraw/zinc/15/78/27/326157827.db2.gz XBTHVOKUTDBSQO-LBPRGKRZSA-N 1 1 305.378 2.286 20 5 DEBDMO COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000428468858 533792124 /nfs/dbraw/zinc/79/21/24/533792124.db2.gz QRCITHDZMVNAGY-TZMCWYRMSA-N 1 1 324.377 2.347 20 5 DEBDMO CC(C)COCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000337332102 519754501 /nfs/dbraw/zinc/75/45/01/519754501.db2.gz JAQAPMHACSSVMT-UHFFFAOYSA-N 1 1 307.394 2.389 20 5 DEBDMO CCOCC[N@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000107679791 519909738 /nfs/dbraw/zinc/90/97/38/519909738.db2.gz OHPBVNICMNYOBP-UHFFFAOYSA-N 1 1 309.366 2.200 20 5 DEBDMO CCOCC[N@@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000107679791 519909741 /nfs/dbraw/zinc/90/97/41/519909741.db2.gz OHPBVNICMNYOBP-UHFFFAOYSA-N 1 1 309.366 2.200 20 5 DEBDMO CC[N@@H+](CCNC(=O)CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000112928077 521052134 /nfs/dbraw/zinc/05/21/34/521052134.db2.gz MZAGJDWLVZTBMO-UHFFFAOYSA-N 1 1 323.393 2.210 20 5 DEBDMO CC[C@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337209482 523332801 /nfs/dbraw/zinc/33/28/01/523332801.db2.gz BACBLEFFHNUMTQ-LBPRGKRZSA-N 1 1 307.350 2.034 20 5 DEBDMO C[C@H](C1CCCCC1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000338362236 526216012 /nfs/dbraw/zinc/21/60/12/526216012.db2.gz YFPMWLRQLNRMDA-IUODEOHRSA-N 1 1 310.398 2.053 20 5 DEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000245439843 527046744 /nfs/dbraw/zinc/04/67/44/527046744.db2.gz GBKJSJPTAONRIB-SMDDNHRTSA-N 1 1 303.362 2.458 20 5 DEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC000246722926 527415568 /nfs/dbraw/zinc/41/55/68/527415568.db2.gz MBRJOBJSAKYCSL-HOTGVXAUSA-N 1 1 322.409 2.197 20 5 DEBDMO CC(C)[C@]1(CO)CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000292985047 527991547 /nfs/dbraw/zinc/99/15/47/527991547.db2.gz HQUPKCNLKFYBRA-IAGOWNOFSA-N 1 1 322.405 2.359 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000292720721 528349052 /nfs/dbraw/zinc/34/90/52/528349052.db2.gz OUSHSGBYVZEJEC-CYBMUJFWSA-N 1 1 307.394 2.374 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000346092107 534925399 /nfs/dbraw/zinc/92/53/99/534925399.db2.gz UFCLCAXQZFZYGM-UHFFFAOYSA-N 1 1 311.769 2.416 20 5 DEBDMO CC[NH2+]CC1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000261829797 535460433 /nfs/dbraw/zinc/46/04/33/535460433.db2.gz BKKASRYUASQEDE-UHFFFAOYSA-N 1 1 307.394 2.425 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246633806 536472321 /nfs/dbraw/zinc/47/23/21/536472321.db2.gz KMPVUURIRVLTMO-DZGCQCFKSA-N 1 1 303.362 2.151 20 5 DEBDMO Cc1nn(C[N@@H+](C)C[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000121243691 622567810 /nfs/dbraw/zinc/56/78/10/622567810.db2.gz ZATIPTGDDJFEOG-LBPRGKRZSA-N 1 1 304.350 2.179 20 5 DEBDMO COc1c(O)ccc(C[N@H+](C)C[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000891786792 624601832 /nfs/dbraw/zinc/60/18/32/624601832.db2.gz OOOUQWVLFUNXQQ-GFCCVEGCSA-N 1 1 310.350 2.310 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)C[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000891786792 624601833 /nfs/dbraw/zinc/60/18/33/624601833.db2.gz OOOUQWVLFUNXQQ-GFCCVEGCSA-N 1 1 310.350 2.310 20 5 DEBDMO Cc1cc(F)cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000176230247 624708023 /nfs/dbraw/zinc/70/80/23/624708023.db2.gz BJWRVEPSZUXVFQ-LLVKDONJSA-N 1 1 309.341 2.114 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892525377 625098796 /nfs/dbraw/zinc/09/87/96/625098796.db2.gz YIJLDHSMTQSZEN-KGLIPLIRSA-N 1 1 321.425 2.419 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c1[N+](=O)[O-] ZINC000893550571 634580946 /nfs/dbraw/zinc/58/09/46/634580946.db2.gz FETXOTLLQZBHKE-GFCCVEGCSA-N 1 1 310.350 2.044 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1Cl ZINC000836448690 650092493 /nfs/dbraw/zinc/09/24/93/650092493.db2.gz GGLGPWDMXVOWDJ-SNVBAGLBSA-N 1 1 311.769 2.238 20 5 DEBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000836848568 650136093 /nfs/dbraw/zinc/13/60/93/650136093.db2.gz LYUSVNNCFWPBQJ-NNRPAZIYSA-N 1 1 315.373 2.161 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000923264814 637066069 /nfs/dbraw/zinc/06/60/69/637066069.db2.gz ZBLVYFQYBRGKNJ-NWDGAFQWSA-N 1 1 321.352 2.351 20 5 DEBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000928562080 637704130 /nfs/dbraw/zinc/70/41/30/637704130.db2.gz DJSBLTOMOHSUGZ-VIFPVBQESA-N 1 1 317.267 2.048 20 5 DEBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000928562080 637704133 /nfs/dbraw/zinc/70/41/33/637704133.db2.gz DJSBLTOMOHSUGZ-VIFPVBQESA-N 1 1 317.267 2.048 20 5 DEBDMO Cc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000895244982 637840351 /nfs/dbraw/zinc/84/03/51/637840351.db2.gz BONSFJGOSAKUOD-IAQYHMDHSA-N 1 1 310.373 2.089 20 5 DEBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@H+]1C ZINC000895739529 638171040 /nfs/dbraw/zinc/17/10/40/638171040.db2.gz GHSCFJSFSJIXRB-CMPLNLGQSA-N 1 1 320.349 2.056 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC3CC3)CC2)c1C ZINC000895792048 638197911 /nfs/dbraw/zinc/19/79/11/638197911.db2.gz JBXXBFPEBZLTST-UHFFFAOYSA-N 1 1 317.389 2.379 20 5 DEBDMO O=C1OCCN1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000749528757 638657199 /nfs/dbraw/zinc/65/71/99/638657199.db2.gz LSHFCMINHIVLDW-UHFFFAOYSA-N 1 1 305.334 2.011 20 5 DEBDMO O=C1OCCN1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000749528757 638657207 /nfs/dbraw/zinc/65/72/07/638657207.db2.gz LSHFCMINHIVLDW-UHFFFAOYSA-N 1 1 305.334 2.011 20 5 DEBDMO C[C@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000749670161 638669730 /nfs/dbraw/zinc/66/97/30/638669730.db2.gz JKEMQPPZPPMLNX-CPUCHLNUSA-N 1 1 321.421 2.481 20 5 DEBDMO C[C@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000749670161 638669736 /nfs/dbraw/zinc/66/97/36/638669736.db2.gz JKEMQPPZPPMLNX-CPUCHLNUSA-N 1 1 321.421 2.481 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000749682440 638670684 /nfs/dbraw/zinc/67/06/84/638670684.db2.gz IUZIREBRBXFALJ-CVEARBPZSA-N 1 1 316.361 2.162 20 5 DEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000896913071 639069328 /nfs/dbraw/zinc/06/93/28/639069328.db2.gz MDWKBNTZVOUZMT-WBMJQRKESA-N 1 1 303.362 2.185 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000728563370 639258147 /nfs/dbraw/zinc/25/81/47/639258147.db2.gz SLJPEADUDNGZEE-GFCCVEGCSA-N 1 1 303.318 2.335 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000728563370 639258152 /nfs/dbraw/zinc/25/81/52/639258152.db2.gz SLJPEADUDNGZEE-GFCCVEGCSA-N 1 1 303.318 2.335 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000897232551 639262696 /nfs/dbraw/zinc/26/26/96/639262696.db2.gz QRGGSGGZYYXSDD-HNNXBMFYSA-N 1 1 317.389 2.352 20 5 DEBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000754226524 639404519 /nfs/dbraw/zinc/40/45/19/639404519.db2.gz OYSTZMLVQORLIU-OWCLPIDISA-N 1 1 322.405 2.357 20 5 DEBDMO C[C@@H](NC(=O)N(C)C[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925244243 639750192 /nfs/dbraw/zinc/75/01/92/639750192.db2.gz MYQTVUXYXFZKCA-IUODEOHRSA-N 1 1 320.393 2.391 20 5 DEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCC(=O)N1 ZINC000839670345 639798085 /nfs/dbraw/zinc/79/80/85/639798085.db2.gz UFZDTMPHQDFQLW-LBPRGKRZSA-N 1 1 309.341 2.223 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000758413325 639957831 /nfs/dbraw/zinc/95/78/31/639957831.db2.gz FEFIWOLTNQNBPK-STQMWFEESA-N 1 1 321.352 2.399 20 5 DEBDMO COC[C@@H]1CC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000761289739 640294633 /nfs/dbraw/zinc/29/46/33/640294633.db2.gz AZRCLWXABYXRAI-GFCCVEGCSA-N 1 1 304.350 2.179 20 5 DEBDMO Cc1nn(C[N@H+]2CCCOC[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000761290474 640294819 /nfs/dbraw/zinc/29/48/19/640294819.db2.gz ANXIORGTFIIFJB-LLVKDONJSA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1nn(C[N@@H+]2CCCOC[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000761290474 640294823 /nfs/dbraw/zinc/29/48/23/640294823.db2.gz ANXIORGTFIIFJB-LLVKDONJSA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1nn(C[N@@H+]2CCCO[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765014959 640725556 /nfs/dbraw/zinc/72/55/56/640725556.db2.gz UCADNXFUIVLCPI-LLVKDONJSA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1nn(C[N@H+]2CCCO[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765014959 640725563 /nfs/dbraw/zinc/72/55/63/640725563.db2.gz UCADNXFUIVLCPI-LLVKDONJSA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1nn(C[N@H+](C)CCOC(C)(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000767777736 641020269 /nfs/dbraw/zinc/02/02/69/641020269.db2.gz YBIFNXJFVRELEU-UHFFFAOYSA-N 1 1 321.381 2.352 20 5 DEBDMO Cc1nn(C[N@@H+](C)CCOC(C)(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000767777736 641020272 /nfs/dbraw/zinc/02/02/72/641020272.db2.gz YBIFNXJFVRELEU-UHFFFAOYSA-N 1 1 321.381 2.352 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC000776586629 642188723 /nfs/dbraw/zinc/18/87/23/642188723.db2.gz OOVKJAILSNRPQQ-OAHLLOKOSA-N 1 1 306.362 2.273 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000776586629 642188730 /nfs/dbraw/zinc/18/87/30/642188730.db2.gz OOVKJAILSNRPQQ-OAHLLOKOSA-N 1 1 306.362 2.273 20 5 DEBDMO O=[N+]([O-])CC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000899873786 642199147 /nfs/dbraw/zinc/19/91/47/642199147.db2.gz UMSIISOQMCCDMR-SNVBAGLBSA-N 1 1 301.140 2.139 20 5 DEBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900241256 642297988 /nfs/dbraw/zinc/29/79/88/642297988.db2.gz RAGSZPMWXYSOOC-DZGCQCFKSA-N 1 1 303.362 2.228 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000777801970 642308436 /nfs/dbraw/zinc/30/84/36/642308436.db2.gz MAQLGVFMGOTGFQ-VIFPVBQESA-N 1 1 303.278 2.126 20 5 DEBDMO O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901218749 642599051 /nfs/dbraw/zinc/59/90/51/642599051.db2.gz VFWNKDAGMCRDDJ-ZWNOBZJWSA-N 1 1 305.334 2.256 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000781355069 642742408 /nfs/dbraw/zinc/74/24/08/642742408.db2.gz WNCVYPNHCQPIFY-OLZOCXBDSA-N 1 1 316.304 2.332 20 5 DEBDMO Cc1nn(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000902654306 643095859 /nfs/dbraw/zinc/09/58/59/643095859.db2.gz KXKSCGMKQAUDCF-TXEJJXNPSA-N 1 1 301.350 2.337 20 5 DEBDMO Cn1c[nH+]cc1CCCOc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000902902286 643186381 /nfs/dbraw/zinc/18/63/81/643186381.db2.gz PDNZDJJYSXRLMS-UHFFFAOYSA-N 1 1 319.317 2.111 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1CC[NH3+] ZINC000903976785 643532443 /nfs/dbraw/zinc/53/24/43/643532443.db2.gz ANRDILATMMGGSK-NXEZZACHSA-N 1 1 313.785 2.371 20 5 DEBDMO Cc1c(Cc2noc(C[C@@H]3CC[N@H+](C)C3)n2)cccc1[N+](=O)[O-] ZINC000904023676 643545151 /nfs/dbraw/zinc/54/51/51/643545151.db2.gz SFMNYCKUEGCPNM-LBPRGKRZSA-N 1 1 316.361 2.371 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000791145908 643933237 /nfs/dbraw/zinc/93/32/37/643933237.db2.gz AKTBIGFBRZXOTP-CQSZACIVSA-N 1 1 320.393 2.027 20 5 DEBDMO Cc1nn(C[N@@H+]2CCO[C@@H](C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000905740987 644027869 /nfs/dbraw/zinc/02/78/69/644027869.db2.gz AJOODVWKIRYHGX-NSHDSACASA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1nn(C[N@H+]2CCO[C@@H](C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000905740987 644027872 /nfs/dbraw/zinc/02/78/72/644027872.db2.gz AJOODVWKIRYHGX-NSHDSACASA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1ccc(-c2noc(C[NH2+]C[C@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000843178924 650917855 /nfs/dbraw/zinc/91/78/55/650917855.db2.gz QSTZKKYRLROBCS-GFCCVEGCSA-N 1 1 318.333 2.222 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C)[NH2+]C3CC3)n2)c1 ZINC000843222399 650932677 /nfs/dbraw/zinc/93/26/77/650932677.db2.gz HQOBRVUNLNTLBU-VIFPVBQESA-N 1 1 318.333 2.390 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000910282503 645387203 /nfs/dbraw/zinc/38/72/03/645387203.db2.gz VAZKYINGBWOISH-CYBMUJFWSA-N 1 1 319.405 2.388 20 5 DEBDMO CC[C@@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840021601 645726122 /nfs/dbraw/zinc/72/61/22/645726122.db2.gz CGPCFVVMLWOPAD-WBMJQRKESA-N 1 1 319.361 2.221 20 5 DEBDMO CC[C@@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840021601 645726125 /nfs/dbraw/zinc/72/61/25/645726125.db2.gz CGPCFVVMLWOPAD-WBMJQRKESA-N 1 1 319.361 2.221 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000843845332 651039273 /nfs/dbraw/zinc/03/92/73/651039273.db2.gz ILIXWFCINPQBIQ-QWRGUYRKSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000843845332 651039274 /nfs/dbraw/zinc/03/92/74/651039274.db2.gz ILIXWFCINPQBIQ-QWRGUYRKSA-N 1 1 309.341 2.207 20 5 DEBDMO CC[N@H+]1[C@H](C)CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000912024886 645907868 /nfs/dbraw/zinc/90/78/68/645907868.db2.gz UHLDBKDZFNKMCL-PHIMTYICSA-N 1 1 309.341 2.289 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000912024886 645907871 /nfs/dbraw/zinc/90/78/71/645907871.db2.gz UHLDBKDZFNKMCL-PHIMTYICSA-N 1 1 309.341 2.289 20 5 DEBDMO CO[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000840125245 646009064 /nfs/dbraw/zinc/00/90/64/646009064.db2.gz MASJRTXRZFHPIL-IAQYHMDHSA-N 1 1 304.350 2.259 20 5 DEBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000913539491 646389193 /nfs/dbraw/zinc/38/91/93/646389193.db2.gz XRZPKYNWQJSJET-PHIMTYICSA-N 1 1 309.753 2.167 20 5 DEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000913539491 646389196 /nfs/dbraw/zinc/38/91/96/646389196.db2.gz XRZPKYNWQJSJET-PHIMTYICSA-N 1 1 309.753 2.167 20 5 DEBDMO CNc1c(C(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000810841058 646432423 /nfs/dbraw/zinc/43/24/23/646432423.db2.gz KDSDZAJLNLFTEE-NWDGAFQWSA-N 1 1 319.361 2.420 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000811583741 646547545 /nfs/dbraw/zinc/54/75/45/646547545.db2.gz XJBRCTVFNPSCMH-LBPRGKRZSA-N 1 1 322.409 2.336 20 5 DEBDMO O=C1CCCN1C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171625858 646708643 /nfs/dbraw/zinc/70/86/43/646708643.db2.gz KXVFMVBMSQFTGX-UHFFFAOYSA-N 1 1 321.352 2.321 20 5 DEBDMO CO[C@@H](C)CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171206 646742801 /nfs/dbraw/zinc/74/28/01/646742801.db2.gz GHLYKQJQXWLCGK-WFASDCNBSA-N 1 1 322.361 2.137 20 5 DEBDMO CO[C@@H](C)CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171206 646742810 /nfs/dbraw/zinc/74/28/10/646742810.db2.gz GHLYKQJQXWLCGK-WFASDCNBSA-N 1 1 322.361 2.137 20 5 DEBDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815560258 647030846 /nfs/dbraw/zinc/03/08/46/647030846.db2.gz BZHKQNNYYSVZJN-UBHSHLNASA-N 1 1 304.394 2.454 20 5 DEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000816950106 647204856 /nfs/dbraw/zinc/20/48/56/647204856.db2.gz LWZHUEOJOCYLPO-SUBBQANTSA-N 1 1 315.373 2.161 20 5 DEBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000914239711 647232190 /nfs/dbraw/zinc/23/21/90/647232190.db2.gz MYFZOZFDASKITQ-COPLHBTASA-N 1 1 306.366 2.048 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC000817290447 647259968 /nfs/dbraw/zinc/25/99/68/647259968.db2.gz IZKIHIWHDNQCIZ-CABCVRRESA-N 1 1 306.362 2.008 20 5 DEBDMO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000914391914 647290783 /nfs/dbraw/zinc/29/07/83/647290783.db2.gz OFVOIIXPDGHYCB-RISCZKNCSA-N 1 1 306.366 2.049 20 5 DEBDMO C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000819101559 647583361 /nfs/dbraw/zinc/58/33/61/647583361.db2.gz BDATZWFAHLTXTL-DOMZBBRYSA-N 1 1 309.410 2.194 20 5 DEBDMO CC(C)C[N@@H+]1CC[C@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819151406 647595633 /nfs/dbraw/zinc/59/56/33/647595633.db2.gz BLBRGCVXDYAPIH-PBHICJAKSA-N 1 1 321.421 2.196 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819151406 647595636 /nfs/dbraw/zinc/59/56/36/647595636.db2.gz BLBRGCVXDYAPIH-PBHICJAKSA-N 1 1 321.421 2.196 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000819354980 647641665 /nfs/dbraw/zinc/64/16/65/647641665.db2.gz NRVOBJQXTKIFIU-QGZVFWFLSA-N 1 1 319.405 2.235 20 5 DEBDMO CCN(CC)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000919852192 648186641 /nfs/dbraw/zinc/18/66/41/648186641.db2.gz FTVNAZAOCJITML-UHFFFAOYSA-N 1 1 323.378 2.474 20 5 DEBDMO CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000921334509 648291401 /nfs/dbraw/zinc/29/14/01/648291401.db2.gz NJEHGRSXTBQSQR-CQDKDKBSSA-N 1 1 320.393 2.438 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000823132984 648358609 /nfs/dbraw/zinc/35/86/09/648358609.db2.gz JZTPTBCCCPCFDA-ARFHVFGLSA-N 1 1 317.389 2.251 20 5 DEBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823913988 648499585 /nfs/dbraw/zinc/49/95/85/648499585.db2.gz KAYLTLLPWVYFLP-UHFFFAOYSA-N 1 1 323.397 2.419 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823932773 648502189 /nfs/dbraw/zinc/50/21/89/648502189.db2.gz DRQJODRXFMSAII-GFCCVEGCSA-N 1 1 321.381 2.125 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](CCCF)CC1 ZINC000824116086 648529769 /nfs/dbraw/zinc/52/97/69/648529769.db2.gz FBEGGFFCJLUXLA-UHFFFAOYSA-N 1 1 323.368 2.329 20 5 DEBDMO CCN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000824835330 648658986 /nfs/dbraw/zinc/65/89/86/648658986.db2.gz QTTFUADLXLHZDT-AWEZNQCLSA-N 1 1 323.368 2.219 20 5 DEBDMO CCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000824840755 648660282 /nfs/dbraw/zinc/66/02/82/648660282.db2.gz DICZUXZAWWFUBG-ARFHVFGLSA-N 1 1 317.389 2.251 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC000827312390 649012325 /nfs/dbraw/zinc/01/23/25/649012325.db2.gz VCUUMIADUSVGLE-GWCFXTLKSA-N 1 1 323.780 2.414 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827367038 649024585 /nfs/dbraw/zinc/02/45/85/649024585.db2.gz PZYJAZKLQUGXNX-UONOGXRCSA-N 1 1 303.362 2.069 20 5 DEBDMO Cc1cc(N2CC[N@@H+](CCO)C[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000829578200 649325294 /nfs/dbraw/zinc/32/52/94/649325294.db2.gz WXIQRJDJODCTKF-LLVKDONJSA-N 1 1 313.785 2.059 20 5 DEBDMO Cc1cc(N2CC[N@H+](CCO)C[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000829578200 649325295 /nfs/dbraw/zinc/32/52/95/649325295.db2.gz WXIQRJDJODCTKF-LLVKDONJSA-N 1 1 313.785 2.059 20 5 DEBDMO CO[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000831547787 649609393 /nfs/dbraw/zinc/60/93/93/649609393.db2.gz WRXRCZWFPAATAX-CABCVRRESA-N 1 1 308.378 2.375 20 5 DEBDMO CN1C[C@H]([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])CCC1=O ZINC000846920751 651362150 /nfs/dbraw/zinc/36/21/50/651362150.db2.gz KBTRLIZSDZLEQD-GFCCVEGCSA-N 1 1 311.769 2.301 20 5 DEBDMO CN1C[C@H]([N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])CCC1=O ZINC000846920751 651362151 /nfs/dbraw/zinc/36/21/51/651362151.db2.gz KBTRLIZSDZLEQD-GFCCVEGCSA-N 1 1 311.769 2.301 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC000847821731 651420668 /nfs/dbraw/zinc/42/06/68/651420668.db2.gz LTUDDROJKWBJGA-LLVKDONJSA-N 1 1 308.334 2.102 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852437809 652401814 /nfs/dbraw/zinc/40/18/14/652401814.db2.gz IAROHMYHNCZWCZ-JSGCOSHPSA-N 1 1 319.361 2.491 20 5 DEBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000852458787 652404123 /nfs/dbraw/zinc/40/41/23/652404123.db2.gz LMHBQXRFCRMTMF-WQVCFCJDSA-N 1 1 308.378 2.111 20 5 DEBDMO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@@H]1CCSC1 ZINC000853504373 652557779 /nfs/dbraw/zinc/55/77/79/652557779.db2.gz LDNSXXBGGXYSMJ-LLVKDONJSA-N 1 1 319.390 2.248 20 5 DEBDMO C[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@@H]1CCSC1 ZINC000853504373 652557780 /nfs/dbraw/zinc/55/77/80/652557780.db2.gz LDNSXXBGGXYSMJ-LLVKDONJSA-N 1 1 319.390 2.248 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCC4(COC4)C3)c2)c1 ZINC000853596884 652576108 /nfs/dbraw/zinc/57/61/08/652576108.db2.gz AOFJVGFWZIBDJM-UHFFFAOYSA-N 1 1 314.345 2.138 20 5 DEBDMO CC[C@H]([NH2+]C)c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000854142528 652646155 /nfs/dbraw/zinc/64/61/55/652646155.db2.gz QLJHENPCTUPZEX-JTQLQIEISA-N 1 1 306.322 2.248 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1F ZINC000928432735 693778014 /nfs/dbraw/zinc/77/80/14/693778014.db2.gz KBLUFRVTLFOZHI-RKDXNWHRSA-N 1 1 313.304 2.004 20 5 DEBDMO C[C@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000928439342 693779846 /nfs/dbraw/zinc/77/98/46/693779846.db2.gz NREOHMSHIMAGHP-HZMBPMFUSA-N 1 1 323.368 2.220 20 5 DEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928445116 693780964 /nfs/dbraw/zinc/78/09/64/693780964.db2.gz WYYSZJXDUIWFIE-ONGXEEELSA-N 1 1 311.769 2.379 20 5 DEBDMO Cc1cc(F)cc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000130344049 684187870 /nfs/dbraw/zinc/18/78/70/684187870.db2.gz UHGJLBYBGSIWFX-JTQLQIEISA-N 1 1 309.341 2.255 20 5 DEBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136993330 684243191 /nfs/dbraw/zinc/24/31/91/684243191.db2.gz SJFDOWBOEIJEBG-GFCCVEGCSA-N 1 1 323.780 2.462 20 5 DEBDMO Cc1ccc(NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000929118069 693899547 /nfs/dbraw/zinc/89/95/47/693899547.db2.gz JSDBTGJNSWVRQT-LLVKDONJSA-N 1 1 306.366 2.367 20 5 DEBDMO CCCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001054264990 693907884 /nfs/dbraw/zinc/90/78/84/693907884.db2.gz YPVQQGYQSWUHOT-HZPDHXFCSA-N 1 1 317.389 2.084 20 5 DEBDMO CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2C1 ZINC001054264990 693907885 /nfs/dbraw/zinc/90/78/85/693907885.db2.gz YPVQQGYQSWUHOT-HZPDHXFCSA-N 1 1 317.389 2.084 20 5 DEBDMO CCCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2C1 ZINC001054264990 693907887 /nfs/dbraw/zinc/90/78/87/693907887.db2.gz YPVQQGYQSWUHOT-HZPDHXFCSA-N 1 1 317.389 2.084 20 5 DEBDMO C[C@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000245699899 685116725 /nfs/dbraw/zinc/11/67/25/685116725.db2.gz CFHQUGQARBBKFY-WDEREUQCSA-N 1 1 305.334 2.438 20 5 DEBDMO C[C@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000245699899 685116726 /nfs/dbraw/zinc/11/67/26/685116726.db2.gz CFHQUGQARBBKFY-WDEREUQCSA-N 1 1 305.334 2.438 20 5 DEBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247197086 685144171 /nfs/dbraw/zinc/14/41/71/685144171.db2.gz VVGXHNLCWGRGTR-GJZGRUSLSA-N 1 1 321.425 2.335 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929462320 693960420 /nfs/dbraw/zinc/96/04/20/693960420.db2.gz IOIYPGUYTTYGDS-PMPSAXMXSA-N 1 1 317.389 2.299 20 5 DEBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000861344360 686049597 /nfs/dbraw/zinc/04/95/97/686049597.db2.gz OWTZCZMVLQOTFT-XJKSGUPXSA-N 1 1 322.361 2.169 20 5 DEBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000862792731 686378931 /nfs/dbraw/zinc/37/89/31/686378931.db2.gz BVRFJEFBMFHPMW-LLVKDONJSA-N 1 1 309.341 2.196 20 5 DEBDMO CC[NH2+][C@H](C)c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000863669854 686547101 /nfs/dbraw/zinc/54/71/01/686547101.db2.gz FBAPPGPHMLTQHY-SECBINFHSA-N 1 1 306.322 2.248 20 5 DEBDMO Cc1nnc(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000930060935 694080748 /nfs/dbraw/zinc/08/07/48/694080748.db2.gz NWYSWAPHQDBGHL-UHFFFAOYSA-N 1 1 302.334 2.493 20 5 DEBDMO O=[N+]([O-])c1cc(CO)c(N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1F ZINC000865527972 687247763 /nfs/dbraw/zinc/24/77/63/687247763.db2.gz UZDZLFWGDVZZAS-GFCCVEGCSA-N 1 1 309.341 2.122 20 5 DEBDMO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CCC[N@H+](CCF)C3)c2c1 ZINC000865928446 687381985 /nfs/dbraw/zinc/38/19/85/687381985.db2.gz YEGRVTIGFYZCKO-LLVKDONJSA-N 1 1 319.340 2.384 20 5 DEBDMO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CCC[N@@H+](CCF)C3)c2c1 ZINC000865928446 687381991 /nfs/dbraw/zinc/38/19/91/687381991.db2.gz YEGRVTIGFYZCKO-LLVKDONJSA-N 1 1 319.340 2.384 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000866152236 687467100 /nfs/dbraw/zinc/46/71/00/687467100.db2.gz AOEGRHCPPYVMBU-FZMZJTMJSA-N 1 1 304.350 2.153 20 5 DEBDMO COc1cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])cc1C ZINC000866210138 687493520 /nfs/dbraw/zinc/49/35/20/687493520.db2.gz YIFGLMGTDXIRBW-CHWSQXEVSA-N 1 1 305.378 2.442 20 5 DEBDMO C[C@@H]1[C@H](C)SCCN1C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867944538 687844458 /nfs/dbraw/zinc/84/44/58/687844458.db2.gz FCOLSLXRROUWHR-ZETOZRRWSA-N 1 1 323.418 2.121 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930677121 694215817 /nfs/dbraw/zinc/21/58/17/694215817.db2.gz XJFHZWBSPLMQCF-KCXAZCMYSA-N 1 1 315.373 2.051 20 5 DEBDMO CC(=O)c1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000872780122 689091616 /nfs/dbraw/zinc/09/16/16/689091616.db2.gz JSCBNSZEAFHHQR-CVEARBPZSA-N 1 1 303.362 2.470 20 5 DEBDMO Cc1c(CNC[C@@]2([NH+](C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000873068924 689153386 /nfs/dbraw/zinc/15/33/86/689153386.db2.gz CUYBQSISDQUHSA-HNNXBMFYSA-N 1 1 309.435 2.430 20 5 DEBDMO Cc1c(CNC[C@]2([NH+](C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000873068925 689153474 /nfs/dbraw/zinc/15/34/74/689153474.db2.gz CUYBQSISDQUHSA-OAHLLOKOSA-N 1 1 309.435 2.430 20 5 DEBDMO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000930910848 694269344 /nfs/dbraw/zinc/26/93/44/694269344.db2.gz JJZOXISPWCCHOB-JFGNBEQYSA-N 1 1 309.341 2.208 20 5 DEBDMO COc1ccc(C[N@H+]2[C@H](C)CC[C@@H](C(N)=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000930914831 694271215 /nfs/dbraw/zinc/27/12/15/694271215.db2.gz JIAUZDYEAOWORN-NTZNESFSSA-N 1 1 321.377 2.078 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000874840302 689512375 /nfs/dbraw/zinc/51/23/75/689512375.db2.gz MDFYCVQVRQDJAX-KBPBESRZSA-N 1 1 307.325 2.043 20 5 DEBDMO O=C(N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034644663 689917946 /nfs/dbraw/zinc/91/79/46/689917946.db2.gz KHYDPLHTLJIJPC-KLHDSHLOSA-N 1 1 323.437 2.249 20 5 DEBDMO COCCO[C@@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877460235 690119601 /nfs/dbraw/zinc/11/96/01/690119601.db2.gz RKRHXIHWLLGENE-CQSZACIVSA-N 1 1 308.378 2.449 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000877629517 690173222 /nfs/dbraw/zinc/17/32/22/690173222.db2.gz VCMJNLVFNWDWLR-ZFWWWQNUSA-N 1 1 317.389 2.312 20 5 DEBDMO CC1(C)C[C@@H](O)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877751342 690215787 /nfs/dbraw/zinc/21/57/87/690215787.db2.gz BYTFDLDQOOVVEE-LLVKDONJSA-N 1 1 305.334 2.329 20 5 DEBDMO CC1(C)C[C@@H](O)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877751342 690215789 /nfs/dbraw/zinc/21/57/89/690215789.db2.gz BYTFDLDQOOVVEE-LLVKDONJSA-N 1 1 305.334 2.329 20 5 DEBDMO CC1(C)C[C@H](O)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877751343 690215935 /nfs/dbraw/zinc/21/59/35/690215935.db2.gz BYTFDLDQOOVVEE-NSHDSACASA-N 1 1 305.334 2.329 20 5 DEBDMO CC1(C)C[C@H](O)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877751343 690215938 /nfs/dbraw/zinc/21/59/38/690215938.db2.gz BYTFDLDQOOVVEE-NSHDSACASA-N 1 1 305.334 2.329 20 5 DEBDMO C[C@H]1[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000931297337 694359663 /nfs/dbraw/zinc/35/96/63/694359663.db2.gz IBBSRMWTPHGUML-IUCAKERBSA-N 1 1 312.757 2.462 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000878663002 690471183 /nfs/dbraw/zinc/47/11/83/690471183.db2.gz VABAOEBTPGEENT-INIZCTEOSA-N 1 1 319.405 2.200 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000878837348 690510264 /nfs/dbraw/zinc/51/02/64/690510264.db2.gz WWRJEGVUBBHJID-TXEJJXNPSA-N 1 1 322.365 2.418 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621285 690691006 /nfs/dbraw/zinc/69/10/06/690691006.db2.gz VLBUPYZXPBLFPZ-BXUZGUMPSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621285 690691010 /nfs/dbraw/zinc/69/10/10/690691010.db2.gz VLBUPYZXPBLFPZ-BXUZGUMPSA-N 1 1 321.377 2.015 20 5 DEBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000879707897 690711950 /nfs/dbraw/zinc/71/19/50/690711950.db2.gz IOKHGWQDWDUKIN-UHFFFAOYSA-N 1 1 312.341 2.361 20 5 DEBDMO COc1ccc(OCC[N@H+]2CC[C@H](C(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC000880145786 690821742 /nfs/dbraw/zinc/82/17/42/690821742.db2.gz NNHGFQQDSCNIIK-LBPRGKRZSA-N 1 1 324.377 2.075 20 5 DEBDMO O=C1[C@H]([NH+]2CCC(F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880240823 690848359 /nfs/dbraw/zinc/84/83/59/690848359.db2.gz MZOOYVPGGMQDAB-CQSZACIVSA-N 1 1 307.325 2.134 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c(F)c1 ZINC000880584153 690933292 /nfs/dbraw/zinc/93/32/92/690933292.db2.gz NLLBKKVPVRHYRW-CQSZACIVSA-N 1 1 324.352 2.097 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c(F)c1 ZINC000880584153 690933294 /nfs/dbraw/zinc/93/32/94/690933294.db2.gz NLLBKKVPVRHYRW-CQSZACIVSA-N 1 1 324.352 2.097 20 5 DEBDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885961205 691972356 /nfs/dbraw/zinc/97/23/56/691972356.db2.gz VPCHLYBSYRUHLW-GFCCVEGCSA-N 1 1 301.350 2.103 20 5 DEBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000886589350 692120681 /nfs/dbraw/zinc/12/06/81/692120681.db2.gz RUCRMJMMSQOFEK-HNNXBMFYSA-N 1 1 319.405 2.326 20 5 DEBDMO COC(=O)N[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000886856128 692211331 /nfs/dbraw/zinc/21/13/31/692211331.db2.gz HRFYVTXECANXBS-NEPJUHHUSA-N 1 1 307.350 2.395 20 5 DEBDMO C[C@@]1([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932017576 694527885 /nfs/dbraw/zinc/52/78/85/694527885.db2.gz OIRPWVZULGTOJG-CJNGLKHVSA-N 1 1 319.361 2.305 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000932069565 694541191 /nfs/dbraw/zinc/54/11/91/694541191.db2.gz ACVGEAYWZHBLJD-SNVBAGLBSA-N 1 1 309.391 2.141 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000932069564 694541206 /nfs/dbraw/zinc/54/12/06/694541206.db2.gz ACVGEAYWZHBLJD-JTQLQIEISA-N 1 1 309.391 2.141 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000890071573 692852369 /nfs/dbraw/zinc/85/23/69/692852369.db2.gz ALOALWUMFCYOLO-UHFFFAOYSA-N 1 1 305.378 2.365 20 5 DEBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c(F)c1 ZINC000895564824 692997570 /nfs/dbraw/zinc/99/75/70/692997570.db2.gz LTEJSMWKLYSGHW-VXGBXAGGSA-N 1 1 312.370 2.121 20 5 DEBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c(F)c1 ZINC000895564824 692997574 /nfs/dbraw/zinc/99/75/74/692997574.db2.gz LTEJSMWKLYSGHW-VXGBXAGGSA-N 1 1 312.370 2.121 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001355254076 1151996152 /nfs/dbraw/zinc/99/61/52/1151996152.db2.gz GKOUZHCPROFQFS-ZDUSSCGKSA-N 1 1 323.393 2.273 20 5 DEBDMO CCN1CCCC[C@H]1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001355254076 1151996157 /nfs/dbraw/zinc/99/61/57/1151996157.db2.gz GKOUZHCPROFQFS-ZDUSSCGKSA-N 1 1 323.393 2.273 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001164632240 719189765 /nfs/dbraw/zinc/18/97/65/719189765.db2.gz DQDPTGHNMVOJOA-GHMZBOCLSA-N 1 1 301.350 2.067 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC001332845453 1149899935 /nfs/dbraw/zinc/89/99/35/1149899935.db2.gz WINWNAKCKWGTDB-BXUZGUMPSA-N 1 1 320.393 2.222 20 5 DEBDMO C[C@@H]1[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC001332845455 1149900260 /nfs/dbraw/zinc/90/02/60/1149900260.db2.gz WINWNAKCKWGTDB-RISCZKNCSA-N 1 1 320.393 2.222 20 5 DEBDMO Cc1cnc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000443943959 782886537 /nfs/dbraw/zinc/88/65/37/782886537.db2.gz GOIQLJOZJYTOSC-GFCCVEGCSA-N 1 1 301.350 2.416 20 5 DEBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001136447528 790335825 /nfs/dbraw/zinc/33/58/25/790335825.db2.gz ZDSYVKQROLQISJ-UHFFFAOYSA-N 1 1 320.393 2.123 20 5 DEBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001333503499 1150057411 /nfs/dbraw/zinc/05/74/11/1150057411.db2.gz YTJSICSGZBOQDU-LBPRGKRZSA-N 1 1 322.340 2.340 20 5 DEBDMO Cc1c[n+]([O-])c(NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001167750832 778414276 /nfs/dbraw/zinc/41/42/76/778414276.db2.gz DNVPHTUCELDBST-CYBMUJFWSA-N 1 1 308.382 2.213 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CCOc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226906311 779441944 /nfs/dbraw/zinc/44/19/44/779441944.db2.gz FXVWTKNTKNAXAJ-SECBINFHSA-N 1 1 318.732 2.487 20 5 DEBDMO CC(C)[NH+]1CC(Nc2cc([N+](=O)[O-])cc(Br)n2)C1 ZINC001168315390 780834872 /nfs/dbraw/zinc/83/48/72/780834872.db2.gz LUHXGGWBEHGREQ-UHFFFAOYSA-N 1 1 315.171 2.257 20 5 DEBDMO CCCOc1cccnc1C(=[NH2+])N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998109 784996779 /nfs/dbraw/zinc/99/67/79/784996779.db2.gz IJFBVGHEBRSIBB-RYUDHWBXSA-N 1 1 306.366 2.231 20 5 DEBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@]1(O)C(F)(F)F ZINC001169012770 785003924 /nfs/dbraw/zinc/00/39/24/785003924.db2.gz SCLFJLLWMTTYJC-KXNHARMFSA-N 1 1 310.316 2.067 20 5 DEBDMO COC(=O)[C@](C)(Cc1ccccc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986903 785004980 /nfs/dbraw/zinc/00/49/80/785004980.db2.gz FYUAAFLKYOZDHL-ZOBUZTSGSA-N 1 1 320.389 2.196 20 5 DEBDMO COC(=O)C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035632 785011329 /nfs/dbraw/zinc/01/13/29/785011329.db2.gz KXOLBMDCSPJCHJ-HUUCEWRRSA-N 1 1 306.362 2.107 20 5 DEBDMO COC(=O)C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035632 785011339 /nfs/dbraw/zinc/01/13/39/785011339.db2.gz KXOLBMDCSPJCHJ-HUUCEWRRSA-N 1 1 306.362 2.107 20 5 DEBDMO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036860 785011839 /nfs/dbraw/zinc/01/18/39/785011839.db2.gz HSTRVXNVUWIKRB-RMEBNNNOSA-N 1 1 310.394 2.095 20 5 DEBDMO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169022903 785018207 /nfs/dbraw/zinc/01/82/07/785018207.db2.gz NMXYPBCHPMIGGH-XUWVNRHRSA-N 1 1 312.410 2.092 20 5 DEBDMO Cc1cnccc1O[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169051999 785023487 /nfs/dbraw/zinc/02/34/87/785023487.db2.gz FKLMGCRGPMQBSH-QLFBSQMISA-N 1 1 305.378 2.289 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170355155 786917472 /nfs/dbraw/zinc/91/74/72/786917472.db2.gz VZZGNNBOTLWZMV-SMDDNHRTSA-N 1 1 306.362 2.445 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+]2CCn3nccc3C2)c([N+](=O)[O-])c1 ZINC001170354317 786917881 /nfs/dbraw/zinc/91/78/81/786917881.db2.gz IQOSFXJTEVREKT-LBPRGKRZSA-N 1 1 316.361 2.247 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CCn3nccc3C2)c([N+](=O)[O-])c1 ZINC001170354317 786917886 /nfs/dbraw/zinc/91/78/86/786917886.db2.gz IQOSFXJTEVREKT-LBPRGKRZSA-N 1 1 316.361 2.247 20 5 DEBDMO CNc1ccc(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001138092189 788354686 /nfs/dbraw/zinc/35/46/86/788354686.db2.gz YSJZVWJKBPHTJQ-CYBMUJFWSA-N 1 1 320.393 2.239 20 5 DEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001148164980 791701645 /nfs/dbraw/zinc/70/16/45/791701645.db2.gz KAFXPYYDCXQVPN-LBPRGKRZSA-N 1 1 320.393 2.123 20 5 DEBDMO CC(=O)N1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001173233264 793646026 /nfs/dbraw/zinc/64/60/26/793646026.db2.gz KBRUHEYTSNVQJC-STQMWFEESA-N 1 1 305.378 2.078 20 5 DEBDMO CC(=O)N1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001173233264 793646032 /nfs/dbraw/zinc/64/60/32/793646032.db2.gz KBRUHEYTSNVQJC-STQMWFEESA-N 1 1 305.378 2.078 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC001137894292 796149755 /nfs/dbraw/zinc/14/97/55/796149755.db2.gz QRCHCZULTRLVER-NEPJUHHUSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC001137894292 796149759 /nfs/dbraw/zinc/14/97/59/796149759.db2.gz QRCHCZULTRLVER-NEPJUHHUSA-N 1 1 321.377 2.158 20 5 DEBDMO Cc1[nH+]c(N)ccc1CNc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001156974764 798120756 /nfs/dbraw/zinc/12/07/56/798120756.db2.gz UAKWRWQOPFJOMD-UHFFFAOYSA-N 1 1 310.317 2.436 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001157266519 798173677 /nfs/dbraw/zinc/17/36/77/798173677.db2.gz UJZFTQJCKOZZBW-IAQYHMDHSA-N 1 1 313.361 2.068 20 5 DEBDMO CCN(c1ccc(-c2ccccc2[N+](=O)[O-])nn1)C1C[NH+](C)C1 ZINC001157461313 798210184 /nfs/dbraw/zinc/21/01/84/798210184.db2.gz FRQXTWLTHYJUAR-UHFFFAOYSA-N 1 1 313.361 2.192 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001160478186 798694585 /nfs/dbraw/zinc/69/45/85/798694585.db2.gz YVCYXUBVSJTPLE-NSHDSACASA-N 1 1 308.382 2.027 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001160964907 798771825 /nfs/dbraw/zinc/77/18/25/798771825.db2.gz SJLQZJMCYNULEZ-LLVKDONJSA-N 1 1 301.350 2.434 20 5 DEBDMO O=[N+]([O-])c1cc(F)cnc1NCC[C@H]1CC[NH2+]CC1(F)F ZINC001162809625 799180992 /nfs/dbraw/zinc/18/09/92/799180992.db2.gz CMJJYAKUNVSNAF-MRVPVSSYSA-N 1 1 304.272 2.176 20 5 DEBDMO [NH3+][C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CCC1(F)F ZINC001164320146 799570255 /nfs/dbraw/zinc/57/02/55/799570255.db2.gz YSZFPMPLQSDABW-GFCCVEGCSA-N 1 1 308.288 2.316 20 5 DEBDMO [NH3+][C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CCC1(F)F ZINC001164327335 799573307 /nfs/dbraw/zinc/57/33/07/799573307.db2.gz NHWYQZQARUZURP-GFCCVEGCSA-N 1 1 308.288 2.316 20 5 DEBDMO O=C1NCCC2(CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)O1 ZINC000932760719 799925809 /nfs/dbraw/zinc/92/58/09/799925809.db2.gz TWABIJISRFUJON-UHFFFAOYSA-N 1 1 323.324 2.198 20 5 DEBDMO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC000933562742 800123206 /nfs/dbraw/zinc/12/32/06/800123206.db2.gz FSRWPFORNNXTFE-LBPRGKRZSA-N 1 1 317.349 2.136 20 5 DEBDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC000933562742 800123208 /nfs/dbraw/zinc/12/32/08/800123208.db2.gz FSRWPFORNNXTFE-LBPRGKRZSA-N 1 1 317.349 2.136 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000934130486 800272166 /nfs/dbraw/zinc/27/21/66/800272166.db2.gz YZROVKPVLWECPM-UONOGXRCSA-N 1 1 308.334 2.071 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000934130486 800272171 /nfs/dbraw/zinc/27/21/71/800272171.db2.gz YZROVKPVLWECPM-UONOGXRCSA-N 1 1 308.334 2.071 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000935098060 800558849 /nfs/dbraw/zinc/55/88/49/800558849.db2.gz BZNNBLGSENBZBY-INIZCTEOSA-N 1 1 317.389 2.352 20 5 DEBDMO CC[N@H+]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000935928553 800801790 /nfs/dbraw/zinc/80/17/90/800801790.db2.gz LKFGPKKDCXUXTO-LBPRGKRZSA-N 1 1 323.368 2.219 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229367688 801264444 /nfs/dbraw/zinc/26/44/44/801264444.db2.gz QQZVUSMARUFXJA-SNVBAGLBSA-N 1 1 318.333 2.105 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@@H]1CCc2[nH+]ccn2C1 ZINC001229403592 801270323 /nfs/dbraw/zinc/27/03/23/801270323.db2.gz RMJDNVZOQQOKSO-LLVKDONJSA-N 1 1 311.301 2.128 20 5 DEBDMO CC[N@H+]1CC[C@@H](Oc2cc(Br)cnc2[N+](=O)[O-])C1 ZINC001229563354 801292915 /nfs/dbraw/zinc/29/29/15/801292915.db2.gz OTHUDVDZCVHOBY-SECBINFHSA-N 1 1 316.155 2.225 20 5 DEBDMO Cc1cc(=O)oc2c1ccc(O[C@H]1CCC[N@H+](C)C1)c2[N+](=O)[O-] ZINC001229941917 801339820 /nfs/dbraw/zinc/33/98/20/801339820.db2.gz DSUMMAYPUCTXIY-NSHDSACASA-N 1 1 318.329 2.483 20 5 DEBDMO CC[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(CC(C)=O)c2F)C1 ZINC001230794654 801494721 /nfs/dbraw/zinc/49/47/21/801494721.db2.gz QRPCXGLHNGMASJ-NSHDSACASA-N 1 1 310.325 2.338 20 5 DEBDMO CC[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(CC(C)=O)c2F)C1 ZINC001230794654 801494726 /nfs/dbraw/zinc/49/47/26/801494726.db2.gz QRPCXGLHNGMASJ-NSHDSACASA-N 1 1 310.325 2.338 20 5 DEBDMO C[N@@H+](CCCNC(=O)c1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231247742 801616069 /nfs/dbraw/zinc/61/60/69/801616069.db2.gz AVDIKUNAHLRTJF-UHFFFAOYSA-N 1 1 317.345 2.440 20 5 DEBDMO C[C@@H]1C[NH2+]CCC[C@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001217989461 802128759 /nfs/dbraw/zinc/12/87/59/802128759.db2.gz QTMYSNAUETWRRL-NOZJJQNGSA-N 1 1 318.333 2.011 20 5 DEBDMO COC(=O)c1ccc(OC2C[NH+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001234053513 802281763 /nfs/dbraw/zinc/28/17/63/802281763.db2.gz ZHBGPRMVSHAVOJ-UHFFFAOYSA-N 1 1 308.334 2.243 20 5 DEBDMO C[C@H](O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC001223432928 802789251 /nfs/dbraw/zinc/78/92/51/802789251.db2.gz XYLOVDQLXTWAMZ-CEFQPYBMSA-N 1 1 304.346 2.477 20 5 DEBDMO COC(=O)[C@H](O[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001223643889 802805262 /nfs/dbraw/zinc/80/52/62/802805262.db2.gz QLQHFGJBCZSNCW-IUODEOHRSA-N 1 1 322.361 2.308 20 5 DEBDMO O=[N+]([O-])c1cnc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC001226729243 803150068 /nfs/dbraw/zinc/15/00/68/803150068.db2.gz CFTDOWXBVZIXII-HNNXBMFYSA-N 1 1 314.345 2.428 20 5 DEBDMO Cc1nnsc1[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001334225307 1150238793 /nfs/dbraw/zinc/23/87/93/1150238793.db2.gz JKMXDNHOBRCCKZ-SNVBAGLBSA-N 1 1 322.394 2.349 20 5 DEBDMO COc1cc([C@H](C)[NH2+]CC(=O)NCC(C)C)cc([N+](=O)[O-])c1 ZINC001334755874 1150339600 /nfs/dbraw/zinc/33/96/00/1150339600.db2.gz ZWGWLLUSPGJVSQ-NSHDSACASA-N 1 1 309.366 2.026 20 5 DEBDMO COC(=O)CC(C)(C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC001335182212 1150381672 /nfs/dbraw/zinc/38/16/72/1150381672.db2.gz IFXNEELGFSZJIM-UHFFFAOYSA-N 1 1 310.350 2.377 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335459595 1150422222 /nfs/dbraw/zinc/42/22/22/1150422222.db2.gz IIJAFWDJQIQDOI-HIFRSBDPSA-N 1 1 307.394 2.091 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335459595 1150422230 /nfs/dbraw/zinc/42/22/30/1150422230.db2.gz IIJAFWDJQIQDOI-HIFRSBDPSA-N 1 1 307.394 2.091 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001335697198 1150503657 /nfs/dbraw/zinc/50/36/57/1150503657.db2.gz LDYMEUOUXYCHTK-CHWSQXEVSA-N 1 1 319.340 2.325 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])CC(C)(C)C ZINC001604807261 1070501468 /nfs/dbraw/zinc/50/14/68/1070501468.db2.gz KGSURLAFWJCEEN-UHFFFAOYSA-N 1 1 304.354 2.253 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC001607083610 1071292634 /nfs/dbraw/zinc/29/26/34/1071292634.db2.gz JNVVDXBOEUVANP-GWCFXTLKSA-N 1 1 314.349 2.149 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001450774901 1056496696 /nfs/dbraw/zinc/49/66/96/1056496696.db2.gz CJCAAGSQOAVNPA-NSHDSACASA-N 1 1 308.382 2.027 20 5 DEBDMO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC001456486695 1057870054 /nfs/dbraw/zinc/87/00/54/1057870054.db2.gz RKNYZCKWNBTMSM-CYZMBNFOSA-N 1 1 314.345 2.341 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCO)[C@H](C)c1ccccc1 ZINC001459784943 1058216989 /nfs/dbraw/zinc/21/69/89/1058216989.db2.gz NDTIVOATSMZNIU-CYBMUJFWSA-N 1 1 318.377 2.155 20 5 DEBDMO CC(C)CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001501735728 1059676066 /nfs/dbraw/zinc/67/60/66/1059676066.db2.gz WTEWHTNVPHWCPA-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO O=C(NCc1c[nH+]c2n1CCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001634537240 1078430865 /nfs/dbraw/zinc/43/08/65/1078430865.db2.gz VXQXELZFICWFAB-UHFFFAOYSA-N 1 1 320.736 2.321 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC001579735103 1067413257 /nfs/dbraw/zinc/41/32/57/1067413257.db2.gz XFIZKLSLNTZSJK-TZMCWYRMSA-N 1 1 307.394 2.414 20 5 DEBDMO Cc1ncc(NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)s1 ZINC001579878639 1067444888 /nfs/dbraw/zinc/44/48/88/1067444888.db2.gz VFCZOQLNXTYOTN-ZDUSSCGKSA-N 1 1 306.347 2.172 20 5 DEBDMO CCCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001571059596 1068177640 /nfs/dbraw/zinc/17/76/40/1068177640.db2.gz PGQRHOKOTXNVSS-SRABZTEZSA-N 1 1 323.437 2.012 20 5 DEBDMO CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001571059596 1068177644 /nfs/dbraw/zinc/17/76/44/1068177644.db2.gz PGQRHOKOTXNVSS-SRABZTEZSA-N 1 1 323.437 2.012 20 5 DEBDMO CCCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001571059596 1068177648 /nfs/dbraw/zinc/17/76/48/1068177648.db2.gz PGQRHOKOTXNVSS-SRABZTEZSA-N 1 1 323.437 2.012 20 5 DEBDMO C[N@H+]1CCC[C@H]1CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001643005520 1078780381 /nfs/dbraw/zinc/78/03/81/1078780381.db2.gz DEEWAXVTDZXHEJ-NSHDSACASA-N 1 1 304.325 2.210 20 5 DEBDMO Cc1cccc(C(=O)OC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001516972397 1068948071 /nfs/dbraw/zinc/94/80/71/1068948071.db2.gz DTAVXOXNYDZWCL-GFCCVEGCSA-N 1 1 322.361 2.028 20 5 DEBDMO CCOc1cc(C[N@H+]2CC[C@]3(CCOC3=O)C2)ccc1[N+](=O)[O-] ZINC001648657795 1075004862 /nfs/dbraw/zinc/00/48/62/1075004862.db2.gz LCUQANHVXQHSJP-INIZCTEOSA-N 1 1 320.345 2.133 20 5 DEBDMO C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001558603167 1075100987 /nfs/dbraw/zinc/10/09/87/1075100987.db2.gz KQDHMQLVPCJUFT-QWHCGFSZSA-N 1 1 305.378 2.156 20 5 DEBDMO O=C1OCC[C@]12CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001560238204 1075134792 /nfs/dbraw/zinc/13/47/92/1075134792.db2.gz YSSDYLQYPJCFHE-AWEZNQCLSA-N 1 1 310.737 2.387 20 5 DEBDMO O=C1OCC[C@]12CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001560238204 1075134793 /nfs/dbraw/zinc/13/47/93/1075134793.db2.gz YSSDYLQYPJCFHE-AWEZNQCLSA-N 1 1 310.737 2.387 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC001585026147 1076334555 /nfs/dbraw/zinc/33/45/55/1076334555.db2.gz VAZQETOEBKFXKE-DZGCQCFKSA-N 1 1 318.377 2.045 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CCC12CCCC2 ZINC001593483210 1077009462 /nfs/dbraw/zinc/00/94/62/1077009462.db2.gz WVSASDQYHIFPLQ-UHFFFAOYSA-N 1 1 314.349 2.293 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001620945179 1077050423 /nfs/dbraw/zinc/05/04/23/1077050423.db2.gz WSCDKBQSAYOIRA-NEPJUHHUSA-N 1 1 321.377 2.206 20 5 DEBDMO Cc1ccc(NCCNC(=O)c2csc([N+](=O)[O-])c2)[nH+]c1 ZINC001597174819 1077090033 /nfs/dbraw/zinc/09/00/33/1077090033.db2.gz BXLPHEWOONPJKJ-UHFFFAOYSA-N 1 1 306.347 2.202 20 5 DEBDMO O=c1oc2cccc([N+](=O)[O-])c2n1Cc1[nH+]ccn1CC(F)F ZINC001651960895 1079844287 /nfs/dbraw/zinc/84/42/87/1079844287.db2.gz FGESXZSZAOAFLQ-UHFFFAOYSA-N 1 1 324.243 2.013 20 5 DEBDMO CCOC(=O)c1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC001652966003 1079907046 /nfs/dbraw/zinc/90/70/46/1079907046.db2.gz JLEQBSGNFXOERU-UHFFFAOYSA-N 1 1 318.333 2.093 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2cnccn2)C1 ZINC001654912557 1079981357 /nfs/dbraw/zinc/98/13/57/1079981357.db2.gz RTSNTZJQDGOAIH-GFCCVEGCSA-N 1 1 314.345 2.383 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(N)o3)C2)cc1[N+](=O)[O-] ZINC001655205413 1079990356 /nfs/dbraw/zinc/99/03/56/1079990356.db2.gz HKNXXVUYQAPWKQ-GFCCVEGCSA-N 1 1 317.349 2.248 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCn3nccc32)c([N+](=O)[O-])c1 ZINC001655421951 1079997717 /nfs/dbraw/zinc/99/77/17/1079997717.db2.gz RHQNLWPFZVBOFZ-GFCCVEGCSA-N 1 1 317.305 2.324 20 5 DEBDMO CC(C)CC[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001485450310 1080214914 /nfs/dbraw/zinc/21/49/14/1080214914.db2.gz GIIOQGAUGXDHIU-ZIAGYGMSSA-N 1 1 311.426 2.106 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC001669071337 1081425413 /nfs/dbraw/zinc/42/54/13/1081425413.db2.gz VDGKYFBUDZHJHD-CYBMUJFWSA-N 1 1 306.366 2.461 20 5 DEBDMO C[N@@H+](CCNC(=O)CC1CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266266343 1081927171 /nfs/dbraw/zinc/92/71/71/1081927171.db2.gz ZHNFIPGBZSXUDC-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO O=C(NC/C=C/C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC001273799305 1092055459 /nfs/dbraw/zinc/05/54/59/1092055459.db2.gz RTHMQBOEIGHJKV-OWOJBTEDSA-N 1 1 309.391 2.218 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)n1 ZINC001297501998 1139874074 /nfs/dbraw/zinc/87/40/74/1139874074.db2.gz FQJARADWMVDIKL-CYBMUJFWSA-N 1 1 318.377 2.045 20 5 DEBDMO COC(=O)N1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001319417545 1140567889 /nfs/dbraw/zinc/56/78/89/1140567889.db2.gz ZGDUQNRRVRMLBP-GFCCVEGCSA-N 1 1 307.350 2.430 20 5 DEBDMO COC(=O)N1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC001319417545 1140567898 /nfs/dbraw/zinc/56/78/98/1140567898.db2.gz ZGDUQNRRVRMLBP-GFCCVEGCSA-N 1 1 307.350 2.430 20 5 DEBDMO CCOC(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001320585808 1140882418 /nfs/dbraw/zinc/88/24/18/1140882418.db2.gz XISACVWYXUVWJU-HUUCEWRRSA-N 1 1 322.361 2.046 20 5 DEBDMO [NH3+][C@]12CC[C@@H]1C[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246850678 1141087126 /nfs/dbraw/zinc/08/71/26/1141087126.db2.gz CVKUXPCCSWWEJA-VYDXJSESSA-N 1 1 301.390 2.265 20 5 DEBDMO N[C@]12CC[C@@H]1C[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246850678 1141087136 /nfs/dbraw/zinc/08/71/36/1141087136.db2.gz CVKUXPCCSWWEJA-VYDXJSESSA-N 1 1 301.390 2.265 20 5 DEBDMO N[C@]12CC[C@@H]1C[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246850678 1141087147 /nfs/dbraw/zinc/08/71/47/1141087147.db2.gz CVKUXPCCSWWEJA-VYDXJSESSA-N 1 1 301.390 2.265 20 5 DEBDMO [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 ZINC001247672504 1141413291 /nfs/dbraw/zinc/41/32/91/1141413291.db2.gz JVWNCEATNASZQF-LBPRGKRZSA-N 1 1 311.301 2.282 20 5 DEBDMO [NH3+][C@@H](CCO)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247971528 1141658204 /nfs/dbraw/zinc/65/82/04/1141658204.db2.gz RABRYFVMLZVJHP-LBPRGKRZSA-N 1 1 321.340 2.215 20 5 DEBDMO C[C@@H](C[NH+]1CCC(C)CC1)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336752611 1142558861 /nfs/dbraw/zinc/55/88/61/1142558861.db2.gz ZTONCPNCVGPDPP-YOEHRIQHSA-N 1 1 321.421 2.338 20 5 DEBDMO CC[NH+](CC)CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC001337758862 1142800371 /nfs/dbraw/zinc/80/03/71/1142800371.db2.gz ANGXZVYLMQZHMF-OWCLPIDISA-N 1 1 319.405 2.241 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001338466254 1142857755 /nfs/dbraw/zinc/85/77/55/1142857755.db2.gz WKZVAYUVSMWHQH-MELADBBJSA-N 1 1 317.389 2.282 20 5 DEBDMO C[N@@H+](CCNc1cc(N)c([N+](=O)[O-])cn1)Cc1ccccc1 ZINC001339543468 1143051630 /nfs/dbraw/zinc/05/16/30/1143051630.db2.gz ADHOWILVSZLOFZ-UHFFFAOYSA-N 1 1 301.350 2.116 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCC[C@H](O)C3)CC2)cc1 ZINC001254474073 1143131214 /nfs/dbraw/zinc/13/12/14/1143131214.db2.gz KWIFHXKWLJFWJB-KRWDZBQOSA-N 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COc1ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000152413505 186069816 /nfs/dbraw/zinc/06/98/16/186069816.db2.gz KVRRUOUTZPGYRT-AWEZNQCLSA-N 1 1 307.394 2.377 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173220609 198197352 /nfs/dbraw/zinc/19/73/52/198197352.db2.gz GWHILCYXMWSRMK-ZIAGYGMSSA-N 1 1 319.405 2.374 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000174156333 198299005 /nfs/dbraw/zinc/29/90/05/198299005.db2.gz XGVSKMKHDYROQU-STQMWFEESA-N 1 1 321.377 2.280 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000008337265 354011653 /nfs/dbraw/zinc/01/16/53/354011653.db2.gz UDVOELJYAUPRAJ-ZDUSSCGKSA-N 1 1 301.350 2.015 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC(C)(C)C1 ZINC000030196623 354121041 /nfs/dbraw/zinc/12/10/41/354121041.db2.gz SFGFJLNARJUGSK-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057717913 354579339 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2.231 20 5 DEBDMO CCOC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000176319153 402299405 /nfs/dbraw/zinc/29/94/05/402299405.db2.gz JBEHGRKFMZVREY-QWHCGFSZSA-N 1 1 321.377 2.280 20 5 DEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000184787949 402299797 /nfs/dbraw/zinc/29/97/97/402299797.db2.gz OTYXPKUGYKCZEN-GDBMZVCRSA-N 1 1 319.405 2.374 20 5 DEBDMO COc1cccc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000185116741 402325657 /nfs/dbraw/zinc/32/56/57/402325657.db2.gz PCRGOHDBMDNPOZ-CYBMUJFWSA-N 1 1 323.393 2.372 20 5 DEBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185603639 402364583 /nfs/dbraw/zinc/36/45/83/402364583.db2.gz VSXZUBPKRZZKBM-DUVNUKRYSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000185187345 402332394 /nfs/dbraw/zinc/33/23/94/402332394.db2.gz VQGPBJQIRAJEJK-GFCCVEGCSA-N 1 1 320.393 2.391 20 5 DEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@](C)(O)C1 ZINC000178023355 402453501 /nfs/dbraw/zinc/45/35/01/402453501.db2.gz QRULALLCFBFXBQ-MEBBXXQBSA-N 1 1 318.333 2.163 20 5 DEBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCOC1 ZINC000178355520 402488546 /nfs/dbraw/zinc/48/85/46/402488546.db2.gz KZLLYTHWJGRFOU-LLVKDONJSA-N 1 1 318.333 2.113 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000247219542 402560073 /nfs/dbraw/zinc/56/00/73/402560073.db2.gz CNVXFVXNRMPHQO-IUODEOHRSA-N 1 1 305.378 2.315 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171160970 402562588 /nfs/dbraw/zinc/56/25/88/402562588.db2.gz HTHFFXUWTSNFNK-GFCCVEGCSA-N 1 1 308.382 2.295 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248357182 402587150 /nfs/dbraw/zinc/58/71/50/402587150.db2.gz PEORYDLFYUHWQY-MNOVXSKESA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248357182 402587154 /nfs/dbraw/zinc/58/71/54/402587154.db2.gz PEORYDLFYUHWQY-MNOVXSKESA-N 1 1 307.350 2.272 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248569412 402596446 /nfs/dbraw/zinc/59/64/46/402596446.db2.gz LQYQBGHZZXPPPJ-VXGBXAGGSA-N 1 1 323.368 2.295 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000172144168 402641911 /nfs/dbraw/zinc/64/19/11/402641911.db2.gz ZQHPENMGQNWTOU-AWEZNQCLSA-N 1 1 320.393 2.078 20 5 DEBDMO COc1cc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1C ZINC000191149438 402645846 /nfs/dbraw/zinc/64/58/46/402645846.db2.gz RQJZCJVHXLSAKD-SNVBAGLBSA-N 1 1 321.377 2.124 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000173807470 402713304 /nfs/dbraw/zinc/71/33/04/402713304.db2.gz KMVWEWOTNBAFLM-ZDUSSCGKSA-N 1 1 320.393 2.102 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000255396608 402686449 /nfs/dbraw/zinc/68/64/49/402686449.db2.gz MKVZFLGFECSSIO-GPTAZTBJSA-N 1 1 315.373 2.349 20 5 DEBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]2CCCC[C@H]12 ZINC000182479914 402693316 /nfs/dbraw/zinc/69/33/16/402693316.db2.gz MTXBKHCZDICOLU-YUELXQCFSA-N 1 1 305.378 2.267 20 5 DEBDMO C[C@@H]1CN(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000193001558 402760390 /nfs/dbraw/zinc/76/03/90/402760390.db2.gz KNMHKBYCDVNOIJ-CQSZACIVSA-N 1 1 319.405 2.280 20 5 DEBDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000175135582 402782302 /nfs/dbraw/zinc/78/23/02/402782302.db2.gz CRTOCIXMZSPBBS-HNNXBMFYSA-N 1 1 303.366 2.357 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000194720047 402812565 /nfs/dbraw/zinc/81/25/65/402812565.db2.gz JVGASKBFHFUKGB-SNVBAGLBSA-N 1 1 309.391 2.141 20 5 DEBDMO COc1cc(C[N@@H+]2CCCC[C@H]2CCO)c([N+](=O)[O-])cc1F ZINC000184199899 402825824 /nfs/dbraw/zinc/82/58/24/402825824.db2.gz BMDURMPFSHLUBR-LBPRGKRZSA-N 1 1 312.341 2.479 20 5 DEBDMO COc1cc(C[N@H+]2CCCC[C@H]2CCO)c([N+](=O)[O-])cc1F ZINC000184199899 402825826 /nfs/dbraw/zinc/82/58/26/402825826.db2.gz BMDURMPFSHLUBR-LBPRGKRZSA-N 1 1 312.341 2.479 20 5 DEBDMO COc1ccc(C[NH2+][C@H](CCO)c2ccco2)cc1[N+](=O)[O-] ZINC000184506328 402847682 /nfs/dbraw/zinc/84/76/82/402847682.db2.gz ZIGVAUFWMDDOEN-GFCCVEGCSA-N 1 1 306.318 2.410 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000264269610 402862313 /nfs/dbraw/zinc/86/23/13/402862313.db2.gz RNOWGEMYSPZPNB-CYBMUJFWSA-N 1 1 321.377 2.094 20 5 DEBDMO CC[NH+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278392435 402863799 /nfs/dbraw/zinc/86/37/99/402863799.db2.gz MGYZUYNDUMSSIT-UHFFFAOYSA-N 1 1 304.272 2.151 20 5 DEBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CCOC(C)(C)C1 ZINC000279679059 402960616 /nfs/dbraw/zinc/96/06/16/402960616.db2.gz GIDGKJOQJFKDCM-UHFFFAOYSA-N 1 1 321.421 2.180 20 5 DEBDMO CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000279230653 402919480 /nfs/dbraw/zinc/91/94/80/402919480.db2.gz DSUOTEPLSRUWED-WBMJQRKESA-N 1 1 321.377 2.423 20 5 DEBDMO CO[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000279230653 402919483 /nfs/dbraw/zinc/91/94/83/402919483.db2.gz DSUOTEPLSRUWED-WBMJQRKESA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000279326613 402931176 /nfs/dbraw/zinc/93/11/76/402931176.db2.gz OLXMDIOUZMFLJB-LRDDRELGSA-N 1 1 306.362 2.473 20 5 DEBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000279326613 402931177 /nfs/dbraw/zinc/93/11/77/402931177.db2.gz OLXMDIOUZMFLJB-LRDDRELGSA-N 1 1 306.362 2.473 20 5 DEBDMO C[C@H](O)CCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000279333417 402931681 /nfs/dbraw/zinc/93/16/81/402931681.db2.gz DDLKXYDABMYUCU-WFASDCNBSA-N 1 1 318.377 2.168 20 5 DEBDMO C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280372568 402993571 /nfs/dbraw/zinc/99/35/71/402993571.db2.gz VJOZENAJEZAACV-PRIUCCMZSA-N 1 1 318.373 2.488 20 5 DEBDMO C[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280372568 402993574 /nfs/dbraw/zinc/99/35/74/402993574.db2.gz VJOZENAJEZAACV-PRIUCCMZSA-N 1 1 318.373 2.488 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000273469953 403007508 /nfs/dbraw/zinc/00/75/08/403007508.db2.gz OKLNZBLCDNVPOY-UONOGXRCSA-N 1 1 322.340 2.482 20 5 DEBDMO C[NH+](C)CC1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCC1 ZINC000273590485 403017867 /nfs/dbraw/zinc/01/78/67/403017867.db2.gz HGCJFLSYYIHSGK-UHFFFAOYSA-N 1 1 321.377 2.152 20 5 DEBDMO Cc1nnc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000273606473 403019384 /nfs/dbraw/zinc/01/93/84/403019384.db2.gz MRIYBOYRKSIXFC-VIFPVBQESA-N 1 1 308.363 2.484 20 5 DEBDMO C[C@H](O)C[N@H+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000266554013 402973640 /nfs/dbraw/zinc/97/36/40/402973640.db2.gz VJYGYEVSMLJOTO-RDBSUJKOSA-N 1 1 307.394 2.043 20 5 DEBDMO COCC[N@H+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000266560119 402973777 /nfs/dbraw/zinc/97/37/77/402973777.db2.gz XBGRVXSYBNGPHA-UONOGXRCSA-N 1 1 307.394 2.308 20 5 DEBDMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000280292684 402984726 /nfs/dbraw/zinc/98/47/26/402984726.db2.gz QESWITJRPQIGBB-GFCCVEGCSA-N 1 1 305.334 2.169 20 5 DEBDMO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000280292684 402984727 /nfs/dbraw/zinc/98/47/27/402984727.db2.gz QESWITJRPQIGBB-GFCCVEGCSA-N 1 1 305.334 2.169 20 5 DEBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000273231827 402985360 /nfs/dbraw/zinc/98/53/60/402985360.db2.gz CPRXCAOPFKANGZ-LLVKDONJSA-N 1 1 324.358 2.312 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000266739720 402987376 /nfs/dbraw/zinc/98/73/76/402987376.db2.gz MYBHZUMSQSHIQA-DOMZBBRYSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000266739720 402987377 /nfs/dbraw/zinc/98/73/77/402987377.db2.gz MYBHZUMSQSHIQA-DOMZBBRYSA-N 1 1 321.377 2.077 20 5 DEBDMO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000276359326 403167522 /nfs/dbraw/zinc/16/75/22/403167522.db2.gz AEOOAABHHPUWGA-GWCFXTLKSA-N 1 1 310.325 2.365 20 5 DEBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000276359326 403167523 /nfs/dbraw/zinc/16/75/23/403167523.db2.gz AEOOAABHHPUWGA-GWCFXTLKSA-N 1 1 310.325 2.365 20 5 DEBDMO CCOCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000276147345 403149196 /nfs/dbraw/zinc/14/91/96/403149196.db2.gz FVBZFVSRJRWHJP-UHFFFAOYSA-N 1 1 300.330 2.219 20 5 DEBDMO CCOCCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000276147345 403149198 /nfs/dbraw/zinc/14/91/98/403149198.db2.gz FVBZFVSRJRWHJP-UHFFFAOYSA-N 1 1 300.330 2.219 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000283977199 403236430 /nfs/dbraw/zinc/23/64/30/403236430.db2.gz MODXSJFLPQDSDU-LBPRGKRZSA-N 1 1 321.377 2.017 20 5 DEBDMO CCN(CC)C(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285450736 403299220 /nfs/dbraw/zinc/29/92/20/403299220.db2.gz YLNLNNZCBSTCSR-ZDUSSCGKSA-N 1 1 307.394 2.326 20 5 DEBDMO CCN(CC)C(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285450736 403299222 /nfs/dbraw/zinc/29/92/22/403299222.db2.gz YLNLNNZCBSTCSR-ZDUSSCGKSA-N 1 1 307.394 2.326 20 5 DEBDMO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2O1 ZINC000292123579 403299315 /nfs/dbraw/zinc/29/93/15/403299315.db2.gz AQCXYJRWYIGOLJ-LBPRGKRZSA-N 1 1 302.334 2.074 20 5 DEBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2O1 ZINC000292123579 403299318 /nfs/dbraw/zinc/29/93/18/403299318.db2.gz AQCXYJRWYIGOLJ-LBPRGKRZSA-N 1 1 302.334 2.074 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270926400 403240671 /nfs/dbraw/zinc/24/06/71/403240671.db2.gz PPGDSCLRJKZTFD-CHWSQXEVSA-N 1 1 303.362 2.353 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277660631 403242315 /nfs/dbraw/zinc/24/23/15/403242315.db2.gz WKMUXMYMTDYEOW-LLVKDONJSA-N 1 1 309.366 2.064 20 5 DEBDMO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1O ZINC000339061919 403341037 /nfs/dbraw/zinc/34/10/37/403341037.db2.gz SQLNYBIEOQRHJS-PRHODGIISA-N 1 1 304.268 2.426 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1O ZINC000339061919 403341040 /nfs/dbraw/zinc/34/10/40/403341040.db2.gz SQLNYBIEOQRHJS-PRHODGIISA-N 1 1 304.268 2.426 20 5 DEBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000331280230 403368203 /nfs/dbraw/zinc/36/82/03/403368203.db2.gz HYTHKIRKNBUOIE-XUJVJEKNSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000331280230 403368205 /nfs/dbraw/zinc/36/82/05/403368205.db2.gz HYTHKIRKNBUOIE-XUJVJEKNSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000331671759 403447819 /nfs/dbraw/zinc/44/78/19/403447819.db2.gz QKAMOQBPVCLDMY-AOOOYVTPSA-N 1 1 317.349 2.282 20 5 DEBDMO Cc1noc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000332092393 403481267 /nfs/dbraw/zinc/48/12/67/403481267.db2.gz VYGYOBNPBGCRES-NSHDSACASA-N 1 1 306.297 2.415 20 5 DEBDMO Cc1noc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000332092393 403481270 /nfs/dbraw/zinc/48/12/70/403481270.db2.gz VYGYOBNPBGCRES-NSHDSACASA-N 1 1 306.297 2.415 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000345907041 403528569 /nfs/dbraw/zinc/52/85/69/403528569.db2.gz NIQAUVOCGAOHJA-OLZOCXBDSA-N 1 1 305.378 2.458 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000332308708 403546520 /nfs/dbraw/zinc/54/65/20/403546520.db2.gz MMXOUMBYDORHPO-AWEZNQCLSA-N 1 1 310.329 2.069 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000332330468 403552901 /nfs/dbraw/zinc/55/29/01/403552901.db2.gz QSGUOZZMKQTZHO-OAHLLOKOSA-N 1 1 324.356 2.377 20 5 DEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCSCC1 ZINC000287392670 403589515 /nfs/dbraw/zinc/58/95/15/403589515.db2.gz PBZCGUQUVGCUEL-UHFFFAOYSA-N 1 1 309.391 2.258 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000293884342 403590031 /nfs/dbraw/zinc/59/00/31/403590031.db2.gz MGYCLFAMIGYNFS-HNNXBMFYSA-N 1 1 323.780 2.416 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCO[C@H]1CCCCO1)CC2 ZINC000332437968 403582114 /nfs/dbraw/zinc/58/21/14/403582114.db2.gz BBQUMGJXQKLHQA-INIZCTEOSA-N 1 1 306.362 2.496 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCO[C@H]1CCCCO1)CC2 ZINC000332437968 403582116 /nfs/dbraw/zinc/58/21/16/403582116.db2.gz BBQUMGJXQKLHQA-INIZCTEOSA-N 1 1 306.362 2.496 20 5 DEBDMO CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343528856 403624388 /nfs/dbraw/zinc/62/43/88/403624388.db2.gz MBTYEDDBTQYIBC-DGCLKSJQSA-N 1 1 321.377 2.206 20 5 DEBDMO COCCC[N@@H+](CCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347375842 403685587 /nfs/dbraw/zinc/68/55/87/403685587.db2.gz KZEYKUKSPWZQIK-KAMYIIQDSA-N 1 1 308.378 2.329 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287932360 403693917 /nfs/dbraw/zinc/69/39/17/403693917.db2.gz QZELPTHOEOMDPB-KWQFWETISA-N 1 1 319.390 2.494 20 5 DEBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)(C)CO ZINC000295242758 403808588 /nfs/dbraw/zinc/80/85/88/403808588.db2.gz PLSUOICJZBLZDG-UHFFFAOYSA-N 1 1 320.349 2.095 20 5 DEBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)(C)CO ZINC000295242758 403808591 /nfs/dbraw/zinc/80/85/91/403808591.db2.gz PLSUOICJZBLZDG-UHFFFAOYSA-N 1 1 320.349 2.095 20 5 DEBDMO CC1(C)C[C@@H](O)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000295266261 403819814 /nfs/dbraw/zinc/81/98/14/403819814.db2.gz DOKMRCVPWHHQMS-LBPRGKRZSA-N 1 1 321.377 2.016 20 5 DEBDMO CC1(C)C[C@@H](O)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000295266261 403819817 /nfs/dbraw/zinc/81/98/17/403819817.db2.gz DOKMRCVPWHHQMS-LBPRGKRZSA-N 1 1 321.377 2.016 20 5 DEBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)CO ZINC000295268143 403821200 /nfs/dbraw/zinc/82/12/00/403821200.db2.gz RWEHVONVJZVUDE-UHFFFAOYSA-N 1 1 320.349 2.095 20 5 DEBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)CO ZINC000295268143 403821207 /nfs/dbraw/zinc/82/12/07/403821207.db2.gz RWEHVONVJZVUDE-UHFFFAOYSA-N 1 1 320.349 2.095 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000341205973 403832905 /nfs/dbraw/zinc/83/29/05/403832905.db2.gz RYTPKGNYOBWTGS-QWRGUYRKSA-N 1 1 322.365 2.208 20 5 DEBDMO C[C@H]([N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)O ZINC000295174196 403783625 /nfs/dbraw/zinc/78/36/25/403783625.db2.gz OTVZPEZSYOURTK-JTQLQIEISA-N 1 1 320.349 2.236 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000295187138 403788121 /nfs/dbraw/zinc/78/81/21/403788121.db2.gz WTRYJOYIHQUBOJ-CQSZACIVSA-N 1 1 307.350 2.176 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000295187138 403788122 /nfs/dbraw/zinc/78/81/22/403788122.db2.gz WTRYJOYIHQUBOJ-CQSZACIVSA-N 1 1 307.350 2.176 20 5 DEBDMO Cc1cc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000361810928 403880427 /nfs/dbraw/zinc/88/04/27/403880427.db2.gz GSXLRUQJQGWSOC-KBPBESRZSA-N 1 1 320.393 2.354 20 5 DEBDMO CC(C)Oc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000411548250 403890543 /nfs/dbraw/zinc/89/05/43/403890543.db2.gz DQGBXFHNYZPCCS-LBPRGKRZSA-N 1 1 321.377 2.064 20 5 DEBDMO COC(=O)c1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1C ZINC000347865830 403917595 /nfs/dbraw/zinc/91/75/95/403917595.db2.gz BJOCRVFUAUYNPJ-UHFFFAOYSA-N 1 1 303.318 2.010 20 5 DEBDMO CN(C(=O)Cn1c[nH+]c2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000295436801 403924887 /nfs/dbraw/zinc/92/48/87/403924887.db2.gz ZSURNTKJEZGLKW-UHFFFAOYSA-N 1 1 314.345 2.333 20 5 DEBDMO CN1CCC([N@H+]2CC[C@H](Nc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000369269394 404028129 /nfs/dbraw/zinc/02/81/29/404028129.db2.gz WIGQZDUUPCXLOR-ZDUSSCGKSA-N 1 1 322.384 2.314 20 5 DEBDMO C[NH+]1CCC(N2CC[C@H](Nc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000369269394 404028135 /nfs/dbraw/zinc/02/81/35/404028135.db2.gz WIGQZDUUPCXLOR-ZDUSSCGKSA-N 1 1 322.384 2.314 20 5 DEBDMO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000369408032 404080802 /nfs/dbraw/zinc/08/08/02/404080802.db2.gz JLIDFBYJICVPAX-RLCCDNCMSA-N 1 1 306.362 2.128 20 5 DEBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000369408032 404080805 /nfs/dbraw/zinc/08/08/05/404080805.db2.gz JLIDFBYJICVPAX-RLCCDNCMSA-N 1 1 306.362 2.128 20 5 DEBDMO C[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1C ZINC000322233951 404082253 /nfs/dbraw/zinc/08/22/53/404082253.db2.gz YSMKLPWWASUTKG-JQWIXIFHSA-N 1 1 318.377 2.374 20 5 DEBDMO Cc1nnc([C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000412047914 404085817 /nfs/dbraw/zinc/08/58/17/404085817.db2.gz VXRITIRZLDTIML-CYBMUJFWSA-N 1 1 301.350 2.053 20 5 DEBDMO Cc1n[nH]c([C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000412047914 404085820 /nfs/dbraw/zinc/08/58/20/404085820.db2.gz VXRITIRZLDTIML-CYBMUJFWSA-N 1 1 301.350 2.053 20 5 DEBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000412047914 404085829 /nfs/dbraw/zinc/08/58/29/404085829.db2.gz VXRITIRZLDTIML-CYBMUJFWSA-N 1 1 301.350 2.053 20 5 DEBDMO Cc1nc([C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000412047914 404085833 /nfs/dbraw/zinc/08/58/33/404085833.db2.gz VXRITIRZLDTIML-CYBMUJFWSA-N 1 1 301.350 2.053 20 5 DEBDMO Cc1nc([C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000412047914 404085841 /nfs/dbraw/zinc/08/58/41/404085841.db2.gz VXRITIRZLDTIML-CYBMUJFWSA-N 1 1 301.350 2.053 20 5 DEBDMO CN1CCC([N@H+]2CC[C@@H](Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000363031741 404049700 /nfs/dbraw/zinc/04/97/00/404049700.db2.gz QEIKYSBSVKHGOZ-CYBMUJFWSA-N 1 1 304.394 2.175 20 5 DEBDMO C[NH+]1CCC(N2CC[C@@H](Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000363031741 404049705 /nfs/dbraw/zinc/04/97/05/404049705.db2.gz QEIKYSBSVKHGOZ-CYBMUJFWSA-N 1 1 304.394 2.175 20 5 DEBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000412102838 404136593 /nfs/dbraw/zinc/13/65/93/404136593.db2.gz KMWTZMRJHOPMAX-INIZCTEOSA-N 1 1 322.361 2.379 20 5 DEBDMO CC[N@@H+](CCC1CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000355068094 404195526 /nfs/dbraw/zinc/19/55/26/404195526.db2.gz VJUDXQOCRXMYSN-HNNXBMFYSA-N 1 1 308.378 2.457 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000337819502 404260785 /nfs/dbraw/zinc/26/07/85/404260785.db2.gz SSBYLMUYCJBNDE-LBPRGKRZSA-N 1 1 306.366 2.448 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000355181319 404264882 /nfs/dbraw/zinc/26/48/82/404264882.db2.gz CONQUQUTQGTSJA-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000344625829 404269935 /nfs/dbraw/zinc/26/99/35/404269935.db2.gz JTWVCJBORGLECU-WCQYABFASA-N 1 1 323.393 2.184 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000344637721 404277850 /nfs/dbraw/zinc/27/78/50/404277850.db2.gz FZIMGIMTCQPQKK-AWEZNQCLSA-N 1 1 305.378 2.445 20 5 DEBDMO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000364267861 404332628 /nfs/dbraw/zinc/33/26/28/404332628.db2.gz DPPYMCJIHRMRHF-HZPDHXFCSA-N 1 1 318.373 2.207 20 5 DEBDMO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000364267861 404332633 /nfs/dbraw/zinc/33/26/33/404332633.db2.gz DPPYMCJIHRMRHF-HZPDHXFCSA-N 1 1 318.373 2.207 20 5 DEBDMO COc1c(C(=O)Nc2cc[nH+]c(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000356307194 404439117 /nfs/dbraw/zinc/43/91/17/404439117.db2.gz QATMGGXEAJQGPI-UHFFFAOYSA-N 1 1 316.317 2.317 20 5 DEBDMO CCOc1cc(NCCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000356486134 404552178 /nfs/dbraw/zinc/55/21/78/404552178.db2.gz RKOQQYUVLQMRBP-UHFFFAOYSA-N 1 1 322.409 2.043 20 5 DEBDMO C[NH2+]Cc1noc(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000414495790 404657044 /nfs/dbraw/zinc/65/70/44/404657044.db2.gz CFUFMTOWPZNLDU-UHFFFAOYSA-N 1 1 302.212 2.383 20 5 DEBDMO CN(C)C(=O)[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414503456 404660222 /nfs/dbraw/zinc/66/02/22/404660222.db2.gz WHUTWIOTDXKAEP-DYLGSBMWSA-N 1 1 303.362 2.018 20 5 DEBDMO CC[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000351500383 404612367 /nfs/dbraw/zinc/61/23/67/404612367.db2.gz SVYVENOTOWVCEZ-UHFFFAOYSA-N 1 1 323.368 2.176 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000356762382 404683154 /nfs/dbraw/zinc/68/31/54/404683154.db2.gz IJCNBOGZWCDKBW-NSHDSACASA-N 1 1 309.366 2.062 20 5 DEBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352894492 404684556 /nfs/dbraw/zinc/68/45/56/404684556.db2.gz SWKSYAHWHKTCRV-OLZOCXBDSA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352894492 404684559 /nfs/dbraw/zinc/68/45/59/404684559.db2.gz SWKSYAHWHKTCRV-OLZOCXBDSA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000356877956 404714076 /nfs/dbraw/zinc/71/40/76/404714076.db2.gz MUBSXBUZVFYZES-RYUDHWBXSA-N 1 1 323.418 2.238 20 5 DEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000356877956 404714080 /nfs/dbraw/zinc/71/40/80/404714080.db2.gz MUBSXBUZVFYZES-RYUDHWBXSA-N 1 1 323.418 2.238 20 5 DEBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000353395682 404822134 /nfs/dbraw/zinc/82/21/34/404822134.db2.gz QTHMBFGEWKAMMU-DOMZBBRYSA-N 1 1 316.361 2.044 20 5 DEBDMO COC[C@H](C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353497011 404847835 /nfs/dbraw/zinc/84/78/35/404847835.db2.gz NOPMCPVCMWUGMC-IUODEOHRSA-N 1 1 318.377 2.290 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000367212321 404966376 /nfs/dbraw/zinc/96/63/76/404966376.db2.gz QEUWMLTUIKELJH-CVEARBPZSA-N 1 1 306.362 2.017 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000367212321 404966386 /nfs/dbraw/zinc/96/63/86/404966386.db2.gz QEUWMLTUIKELJH-CVEARBPZSA-N 1 1 306.362 2.017 20 5 DEBDMO CC(C)CC[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000361303475 405014299 /nfs/dbraw/zinc/01/42/99/405014299.db2.gz DAUZOAZADLBUBT-ZFWWWQNUSA-N 1 1 322.409 2.273 20 5 DEBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](CO)C(C)(C)C ZINC000361262120 404998530 /nfs/dbraw/zinc/99/85/30/404998530.db2.gz REKCTYLVHCWOQY-CYBMUJFWSA-N 1 1 306.366 2.310 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000354101818 405045413 /nfs/dbraw/zinc/04/54/13/405045413.db2.gz WPTRMDSCFRGAGD-KGLIPLIRSA-N 1 1 306.362 2.462 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000408091938 405110199 /nfs/dbraw/zinc/11/01/99/405110199.db2.gz YEVWUZPYBFCZOO-GHMZBOCLSA-N 1 1 316.361 2.241 20 5 DEBDMO COC(=O)COc1ccc(C[N@@H+]2CCC=C(C)C2)cc1[N+](=O)[O-] ZINC000437348200 405196005 /nfs/dbraw/zinc/19/60/05/405196005.db2.gz PIFSDZMODSCNMF-UHFFFAOYSA-N 1 1 320.345 2.299 20 5 DEBDMO COC(=O)COc1ccc(C[N@H+]2CCC=C(C)C2)cc1[N+](=O)[O-] ZINC000437348200 405196012 /nfs/dbraw/zinc/19/60/12/405196012.db2.gz PIFSDZMODSCNMF-UHFFFAOYSA-N 1 1 320.345 2.299 20 5 DEBDMO CCC[N@@H+](C)CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437488308 405201984 /nfs/dbraw/zinc/20/19/84/405201984.db2.gz WMIGRTWYIFZMJE-UHFFFAOYSA-N 1 1 305.378 2.428 20 5 DEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354418779 405205559 /nfs/dbraw/zinc/20/55/59/405205559.db2.gz DAKIQXWQGXLWIC-XJKSGUPXSA-N 1 1 319.405 2.469 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000452111122 405174045 /nfs/dbraw/zinc/17/40/45/405174045.db2.gz BIFDOBTUQZOCEM-OAHLLOKOSA-N 1 1 307.394 2.388 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC2(CCC[N@H+]2C)CC1 ZINC000408329608 405175331 /nfs/dbraw/zinc/17/53/31/405175331.db2.gz JRXFFHNLCXPYOS-UHFFFAOYSA-N 1 1 307.398 2.184 20 5 DEBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425556013 405302587 /nfs/dbraw/zinc/30/25/87/405302587.db2.gz ZFAUXKZGMMESKA-VIFPVBQESA-N 1 1 307.741 2.356 20 5 DEBDMO CCC[N@@H+](C)CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427602630 405414261 /nfs/dbraw/zinc/41/42/61/405414261.db2.gz HDBZIHSEWQTMQX-UHFFFAOYSA-N 1 1 305.378 2.428 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000420643270 405366868 /nfs/dbraw/zinc/36/68/68/405366868.db2.gz XDLQMDVFKHYNJU-VIFPVBQESA-N 1 1 307.379 2.130 20 5 DEBDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC000429545231 405435582 /nfs/dbraw/zinc/43/55/82/405435582.db2.gz CRKHBDNBPNVHGH-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO CC(=O)N[C@@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000421391741 405485909 /nfs/dbraw/zinc/48/59/09/405485909.db2.gz PJJCAIRLHHHKEC-INDWDQIESA-N 1 1 303.362 2.209 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C1CC1 ZINC000421764925 405635732 /nfs/dbraw/zinc/63/57/32/405635732.db2.gz XFAAOJHRPMTZHC-UHFFFAOYSA-N 1 1 305.378 2.426 20 5 DEBDMO C[N@@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000457210364 405753147 /nfs/dbraw/zinc/75/31/47/405753147.db2.gz VIHGXZYGYFJRBC-UHFFFAOYSA-N 1 1 309.341 2.338 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000459258353 405822988 /nfs/dbraw/zinc/82/29/88/405822988.db2.gz JQXMZMANIPPKGW-LBPRGKRZSA-N 1 1 306.366 2.448 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[NH+]1CCC(O)CC1 ZINC000532208286 406055056 /nfs/dbraw/zinc/05/50/56/406055056.db2.gz FILKSOJHRUBPQD-CQSZACIVSA-N 1 1 321.421 2.401 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000487136829 406208706 /nfs/dbraw/zinc/20/87/06/406208706.db2.gz KUZWAHBIMAOSKN-OAHLLOKOSA-N 1 1 321.377 2.158 20 5 DEBDMO CC(C)[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000487975493 406279706 /nfs/dbraw/zinc/27/97/06/406279706.db2.gz CIRAACVTQRNOAL-MRXNPFEDSA-N 1 1 307.394 2.246 20 5 DEBDMO CC(C)[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000487975492 406280102 /nfs/dbraw/zinc/28/01/02/406280102.db2.gz CIRAACVTQRNOAL-INIZCTEOSA-N 1 1 307.394 2.246 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000569659221 406283512 /nfs/dbraw/zinc/28/35/12/406283512.db2.gz VNYPOHRBXTYFDE-XJKSGUPXSA-N 1 1 319.405 2.497 20 5 DEBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488746045 406344133 /nfs/dbraw/zinc/34/41/33/406344133.db2.gz MDOSXQNVJHCENF-YPMHNXCESA-N 1 1 317.345 2.453 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)C(C)C ZINC000522608552 406407593 /nfs/dbraw/zinc/40/75/93/406407593.db2.gz FDXVHAXTGRSPII-UHFFFAOYSA-N 1 1 308.382 2.097 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000489886057 406437736 /nfs/dbraw/zinc/43/77/36/406437736.db2.gz LTHYZJBDAATOBJ-LBPRGKRZSA-N 1 1 302.334 2.365 20 5 DEBDMO C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000571630423 406543928 /nfs/dbraw/zinc/54/39/28/406543928.db2.gz RGMODRYYTKRVJW-JTQLQIEISA-N 1 1 321.406 2.225 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491886495 406764387 /nfs/dbraw/zinc/76/43/87/406764387.db2.gz OQLUZRGRISWGIO-SBDDDAINSA-N 1 1 303.362 2.161 20 5 DEBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(OCCO)CC1 ZINC000129339028 196040748 /nfs/dbraw/zinc/04/07/48/196040748.db2.gz XXRXVTMIQNYNPQ-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCCN2CCOCC2)C2CC2)cc1 ZINC000130864836 196117575 /nfs/dbraw/zinc/11/75/75/196117575.db2.gz KDLOAFXPUOETPL-UHFFFAOYSA-N 1 1 319.405 2.282 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291311708 222304552 /nfs/dbraw/zinc/30/45/52/222304552.db2.gz RRJNZBBKFJFFHK-ZDUSSCGKSA-N 1 1 317.305 2.147 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291311708 222304554 /nfs/dbraw/zinc/30/45/54/222304554.db2.gz RRJNZBBKFJFFHK-ZDUSSCGKSA-N 1 1 317.305 2.147 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000411394745 227402068 /nfs/dbraw/zinc/40/20/68/227402068.db2.gz GUPDGZSBKUXRMY-WFASDCNBSA-N 1 1 321.377 2.016 20 5 DEBDMO Cc1cc(CNc2ncc([N+](=O)[O-])s2)cc(N2CCCC2)[nH+]1 ZINC000357619086 424818061 /nfs/dbraw/zinc/81/80/61/424818061.db2.gz CCAKYQIAQDFCEK-UHFFFAOYSA-N 1 1 319.390 2.967 20 5 DEBDMO O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000555337096 424881074 /nfs/dbraw/zinc/88/10/74/424881074.db2.gz PIESPPLKEDUENL-GFCCVEGCSA-N 1 1 312.373 3.039 20 5 DEBDMO CC[N@@H+](CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000209809347 424884494 /nfs/dbraw/zinc/88/44/94/424884494.db2.gz HEHBOFGQKDYCQY-TWGQIWQCSA-N 1 1 303.362 2.209 20 5 DEBDMO Cc1nc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596569629 425027362 /nfs/dbraw/zinc/02/73/62/425027362.db2.gz AKAZTHNRQUALAJ-AWEZNQCLSA-N 1 1 304.394 2.832 20 5 DEBDMO CC(C)Oc1nc(NC[C@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599141818 425043716 /nfs/dbraw/zinc/04/37/16/425043716.db2.gz RRRSYZOWDWYGGZ-CYBMUJFWSA-N 1 1 322.409 2.921 20 5 DEBDMO CCCC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363432777 269060361 /nfs/dbraw/zinc/06/03/61/269060361.db2.gz PELZQMWBDWLKPA-UHFFFAOYSA-N 1 1 305.378 2.429 20 5 DEBDMO CCCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363432777 269060362 /nfs/dbraw/zinc/06/03/62/269060362.db2.gz PELZQMWBDWLKPA-UHFFFAOYSA-N 1 1 305.378 2.429 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000443505632 269138686 /nfs/dbraw/zinc/13/86/86/269138686.db2.gz AXQLKHJYCAALGX-WDEREUQCSA-N 1 1 317.349 2.174 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000514770954 269330867 /nfs/dbraw/zinc/33/08/67/269330867.db2.gz RCHSGAVFAFRDHM-DOMZBBRYSA-N 1 1 305.378 2.299 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000516908993 269371790 /nfs/dbraw/zinc/37/17/90/269371790.db2.gz HOBQUKIYRFIVRE-RNCFNFMXSA-N 1 1 309.753 2.024 20 5 DEBDMO C[C@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000517065161 269375839 /nfs/dbraw/zinc/37/58/39/269375839.db2.gz PLDNFFJMTLHHBS-XEZPLFJOSA-N 1 1 317.389 2.251 20 5 DEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000493583589 274277543 /nfs/dbraw/zinc/27/75/43/274277543.db2.gz XKFKZRYQXUDRTO-SUHUHFCYSA-N 1 1 305.334 2.086 20 5 DEBDMO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547217 274281308 /nfs/dbraw/zinc/28/13/08/274281308.db2.gz KOWMGJZHAWCVHH-WCQYABFASA-N 1 1 316.365 2.059 20 5 DEBDMO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547217 274281309 /nfs/dbraw/zinc/28/13/09/274281309.db2.gz KOWMGJZHAWCVHH-WCQYABFASA-N 1 1 316.365 2.059 20 5 DEBDMO C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1C ZINC000248366760 274304405 /nfs/dbraw/zinc/30/44/05/274304405.db2.gz SNHVWQOJEKHDJZ-XUJVJEKNSA-N 1 1 303.362 2.430 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c2cccnc21 ZINC000413263986 275036457 /nfs/dbraw/zinc/03/64/57/275036457.db2.gz LWXCIDWMMSKJHY-UHFFFAOYSA-N 1 1 324.344 2.193 20 5 DEBDMO CCN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C(C)(C)C1=O ZINC000186532957 276195458 /nfs/dbraw/zinc/19/54/58/276195458.db2.gz PJDSZGNJTBEKHT-UHFFFAOYSA-N 1 1 305.378 2.080 20 5 DEBDMO CCN1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C(C)(C)C1=O ZINC000186532957 276195459 /nfs/dbraw/zinc/19/54/59/276195459.db2.gz PJDSZGNJTBEKHT-UHFFFAOYSA-N 1 1 305.378 2.080 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000269099488 277183368 /nfs/dbraw/zinc/18/33/68/277183368.db2.gz QJGNQHKSXTUZTC-MNOVXSKESA-N 1 1 321.406 2.225 20 5 DEBDMO C[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@H]1C[N@H+](C)CCO1 ZINC000154831567 278389854 /nfs/dbraw/zinc/38/98/54/278389854.db2.gz XOGZYBZMWJASRL-IAQYHMDHSA-N 1 1 316.361 2.274 20 5 DEBDMO C[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@H]1C[N@@H+](C)CCO1 ZINC000154831567 278389855 /nfs/dbraw/zinc/38/98/55/278389855.db2.gz XOGZYBZMWJASRL-IAQYHMDHSA-N 1 1 316.361 2.274 20 5 DEBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000413299258 279008629 /nfs/dbraw/zinc/00/86/29/279008629.db2.gz HHBOPKMXSFIYCA-MISXGVKJSA-N 1 1 308.357 2.295 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2CCC1CC2 ZINC000368617555 280375696 /nfs/dbraw/zinc/37/56/96/280375696.db2.gz ZTGFHDCUGFSOCR-JXQTWKCFSA-N 1 1 306.362 2.209 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000492323248 289009898 /nfs/dbraw/zinc/00/98/98/289009898.db2.gz NEALEOSSFLUCCI-MPBQIQEOSA-N 1 1 303.362 2.159 20 5 DEBDMO C[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001349385221 1151245781 /nfs/dbraw/zinc/24/57/81/1151245781.db2.gz YGWBYNPGTUEPKU-ZDUSSCGKSA-N 1 1 311.426 2.297 20 5 DEBDMO Cc1nc(N2CCC(C[N@H+](C)C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000582103097 333225566 /nfs/dbraw/zinc/22/55/66/333225566.db2.gz GXEPKRJCIRJBHH-UHFFFAOYSA-N 1 1 307.398 2.250 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000583246560 337287097 /nfs/dbraw/zinc/28/70/97/337287097.db2.gz QWLVOTHQJNUBDX-RISCZKNCSA-N 1 1 304.350 2.071 20 5 DEBDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000294659520 533755820 /nfs/dbraw/zinc/75/58/20/533755820.db2.gz HFSHRDNMQLFYEW-KOLCDFICSA-N 1 1 303.366 2.490 20 5 DEBDMO Cc1c(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000296662805 533848325 /nfs/dbraw/zinc/84/83/25/533848325.db2.gz KBVNWDQBPYRGFC-CYBMUJFWSA-N 1 1 307.350 2.176 20 5 DEBDMO Cc1c(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000296662805 533848334 /nfs/dbraw/zinc/84/83/34/533848334.db2.gz KBVNWDQBPYRGFC-CYBMUJFWSA-N 1 1 307.350 2.176 20 5 DEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000331356933 534460720 /nfs/dbraw/zinc/46/07/20/534460720.db2.gz SOHZWHKOPXQLJL-NWDGAFQWSA-N 1 1 307.350 2.033 20 5 DEBDMO CC[C@H](C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)OC 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OYFWXIAFJUCCBE-AWEZNQCLSA-N 1 1 305.378 2.394 20 5 DEBDMO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000330763556 528421297 /nfs/dbraw/zinc/42/12/97/528421297.db2.gz OYFWXIAFJUCCBE-AWEZNQCLSA-N 1 1 305.378 2.394 20 5 DEBDMO CC[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411270922 529308190 /nfs/dbraw/zinc/30/81/90/529308190.db2.gz JWIUNPWBYDRCIF-ZDUSSCGKSA-N 1 1 307.350 2.034 20 5 DEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000362645727 535132911 /nfs/dbraw/zinc/13/29/11/535132911.db2.gz BQSNLXFKNZUFBX-LBPRGKRZSA-N 1 1 323.368 2.442 20 5 DEBDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000359869195 536519391 /nfs/dbraw/zinc/51/93/91/536519391.db2.gz CZBYAAGQHWHGSS-AAEUAGOBSA-N 1 1 321.377 2.124 20 5 DEBDMO CO[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000371734401 536708053 /nfs/dbraw/zinc/70/80/53/536708053.db2.gz FPBSSWZXUWBKTJ-ZDUSSCGKSA-N 1 1 321.377 2.424 20 5 DEBDMO CO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000374681809 536710535 /nfs/dbraw/zinc/71/05/35/536710535.db2.gz XCUFNJRKQCTZCS-DOMZBBRYSA-N 1 1 321.377 2.423 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2OC)C1 ZINC000892724391 625485130 /nfs/dbraw/zinc/48/51/30/625485130.db2.gz SLIZLSQGRZTOJM-LBPRGKRZSA-N 1 1 308.382 2.167 20 5 DEBDMO CN1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1=O ZINC000811477290 622621069 /nfs/dbraw/zinc/62/10/69/622621069.db2.gz LOURYDQGTNAVAO-SECBINFHSA-N 1 1 318.160 2.222 20 5 DEBDMO C[N@H+](CC(=O)OCc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000120353483 622745607 /nfs/dbraw/zinc/74/56/07/622745607.db2.gz OSPBXOUCSUYRAG-CYBMUJFWSA-N 1 1 310.375 2.075 20 5 DEBDMO C[N@@H+](CC(=O)OCc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000120353483 622745610 /nfs/dbraw/zinc/74/56/10/622745610.db2.gz OSPBXOUCSUYRAG-CYBMUJFWSA-N 1 1 310.375 2.075 20 5 DEBDMO O=C1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCCCCN1 ZINC000934154386 624754501 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323.418 2.385 20 5 DEBDMO C[C@]12CSC[C@H]1C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000934771799 625106305 /nfs/dbraw/zinc/10/63/05/625106305.db2.gz YRCQZIHFYOXNNH-YUELXQCFSA-N 1 1 308.403 2.313 20 5 DEBDMO COCC[N@H+](CC(C)C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000124558245 633391408 /nfs/dbraw/zinc/39/14/08/633391408.db2.gz OACJQYFLYYOYKP-UHFFFAOYSA-N 1 1 323.349 2.065 20 5 DEBDMO COCC[N@@H+](CC(C)C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000124558245 633391414 /nfs/dbraw/zinc/39/14/14/633391414.db2.gz OACJQYFLYYOYKP-UHFFFAOYSA-N 1 1 323.349 2.065 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000893872469 636052048 /nfs/dbraw/zinc/05/20/48/636052048.db2.gz KUHHEUNNMJGXNO-ZDUSSCGKSA-N 1 1 305.378 2.344 20 5 DEBDMO O=C(CC1CC1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980607996 635061758 /nfs/dbraw/zinc/06/17/58/635061758.db2.gz HATITQCGGUNLLV-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO O=C(CC1CC1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980607996 635061762 /nfs/dbraw/zinc/06/17/62/635061762.db2.gz HATITQCGGUNLLV-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000894292486 636724459 /nfs/dbraw/zinc/72/44/59/636724459.db2.gz DAGYIERTGWQGAS-OCCSQVGLSA-N 1 1 322.361 2.452 20 5 DEBDMO CC(C)[NH+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000035208260 636886857 /nfs/dbraw/zinc/88/68/57/636886857.db2.gz FEOUQFYKUVKFNU-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000923281229 637082347 /nfs/dbraw/zinc/08/23/47/637082347.db2.gz LVRSFTFNSVDUNV-QWHCGFSZSA-N 1 1 321.352 2.351 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2C2(O)CC2)cc1 ZINC000839141983 637804465 /nfs/dbraw/zinc/80/44/65/637804465.db2.gz DEALXDFVNPWOAT-GJZGRUSLSA-N 1 1 306.362 2.008 20 5 DEBDMO Nc1ccc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c([N+](=O)[O-])c1 ZINC000895569241 638094259 /nfs/dbraw/zinc/09/42/59/638094259.db2.gz LFXZCZGCBYORJQ-FZMZJTMJSA-N 1 1 308.407 2.169 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000895808793 638201010 /nfs/dbraw/zinc/20/10/10/638201010.db2.gz CVBLLJLZAYPZRE-ZDUSSCGKSA-N 1 1 321.377 2.092 20 5 DEBDMO Cc1ccc(CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000896220786 638417402 /nfs/dbraw/zinc/41/74/02/638417402.db2.gz WIYHXLISHIRESV-AWEZNQCLSA-N 1 1 320.393 2.139 20 5 DEBDMO Cc1ccc(CNC(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000896219961 638423175 /nfs/dbraw/zinc/42/31/75/638423175.db2.gz KGIVNDONDXYRJG-ZDUSSCGKSA-N 1 1 320.393 2.187 20 5 DEBDMO CC(C)c1[nH+]ccn1Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000896315737 638465972 /nfs/dbraw/zinc/46/59/72/638465972.db2.gz UAHCEACDIJBUJB-UHFFFAOYSA-N 1 1 307.354 2.426 20 5 DEBDMO C[C@@H](NC(=O)NCC[N@H+]1CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000896612552 638603699 /nfs/dbraw/zinc/60/36/99/638603699.db2.gz KQPJXORZKJCWCA-CHWSQXEVSA-N 1 1 320.393 2.439 20 5 DEBDMO C[C@@H](NC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000896613779 638603883 /nfs/dbraw/zinc/60/38/83/638603883.db2.gz XIPCIDNZLGFJNP-IUODEOHRSA-N 1 1 320.393 2.391 20 5 DEBDMO Cc1nn(C[N@H+]2CCC[C@H]2C2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749950702 638696385 /nfs/dbraw/zinc/69/63/85/638696385.db2.gz NTKIVHWVJDLEOB-AWEZNQCLSA-N 1 1 301.350 2.480 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCOC3CCOCC3)nc2c1 ZINC000897190413 639233322 /nfs/dbraw/zinc/23/33/22/639233322.db2.gz BSIYVJDUQDJPPY-UHFFFAOYSA-N 1 1 321.333 2.021 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000754222303 639403071 /nfs/dbraw/zinc/40/30/71/639403071.db2.gz BIRNHVDUVGDORT-NSHDSACASA-N 1 1 309.341 2.209 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000754222303 639403077 /nfs/dbraw/zinc/40/30/77/639403077.db2.gz BIRNHVDUVGDORT-NSHDSACASA-N 1 1 309.341 2.209 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@H](C3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000754783007 639473329 /nfs/dbraw/zinc/47/33/29/639473329.db2.gz LAUSSIAPJZOQQZ-AWEZNQCLSA-N 1 1 308.382 2.114 20 5 DEBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000841688600 650540236 /nfs/dbraw/zinc/54/02/36/650540236.db2.gz FSLIKFGKBIQANW-OUAUKWLOSA-N 1 1 305.334 2.437 20 5 DEBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000841688600 650540241 /nfs/dbraw/zinc/54/02/41/650540241.db2.gz FSLIKFGKBIQANW-OUAUKWLOSA-N 1 1 305.334 2.437 20 5 DEBDMO C[C@H]1[C@@H](C)[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C[C@H]1C ZINC000841691071 650541640 /nfs/dbraw/zinc/54/16/40/650541640.db2.gz AINSLHOCPFJBFK-GMTAPVOTSA-N 1 1 317.345 2.125 20 5 DEBDMO C[C@H]1[C@@H](C)[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C[C@H]1C ZINC000841691071 650541642 /nfs/dbraw/zinc/54/16/42/650541642.db2.gz AINSLHOCPFJBFK-GMTAPVOTSA-N 1 1 317.345 2.125 20 5 DEBDMO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000763879650 640581466 /nfs/dbraw/zinc/58/14/66/640581466.db2.gz OKAYKOBGXYFFOV-CYBMUJFWSA-N 1 1 316.785 2.466 20 5 DEBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000763879650 640581470 /nfs/dbraw/zinc/58/14/70/640581470.db2.gz OKAYKOBGXYFFOV-CYBMUJFWSA-N 1 1 316.785 2.466 20 5 DEBDMO COC[C@@H]1CCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765059821 640731805 /nfs/dbraw/zinc/73/18/05/640731805.db2.gz FBDMVDBFCSSUED-ZDUSSCGKSA-N 1 1 304.350 2.321 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)OCCCn2cc[nH+]c2C)c1 ZINC000767617877 641001380 /nfs/dbraw/zinc/00/13/80/641001380.db2.gz KBLGOSGGYDQSCR-UHFFFAOYSA-N 1 1 319.317 2.355 20 5 DEBDMO C[N@H+]1CC[C@H](CC(=O)Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000898462212 641668185 /nfs/dbraw/zinc/66/81/85/641668185.db2.gz NJSFCDUBJCZBCZ-LLVKDONJSA-N 1 1 314.345 2.423 20 5 DEBDMO CN1CCC([NH2+]Cc2cc(-c3ccccc3[N+](=O)[O-])no2)CC1 ZINC000899252076 642009986 /nfs/dbraw/zinc/00/99/86/642009986.db2.gz BMSRIKMEQAQEJM-UHFFFAOYSA-N 1 1 316.361 2.434 20 5 DEBDMO Cc1cccc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000776590724 642189354 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DEBDMO O=C(OCCC[N+](=O)[O-])[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000860917010 685974953 /nfs/dbraw/zinc/97/49/53/685974953.db2.gz DOLOXICJLWKPHQ-HNNXBMFYSA-N 1 1 306.362 2.251 20 5 DEBDMO O=C(OCCC[N+](=O)[O-])[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000860917010 685974954 /nfs/dbraw/zinc/97/49/54/685974954.db2.gz DOLOXICJLWKPHQ-HNNXBMFYSA-N 1 1 306.362 2.251 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)C2(O)CCCC2)C2CC2)c1 ZINC000929853329 694043359 /nfs/dbraw/zinc/04/33/59/694043359.db2.gz LLPNHKJPCUCCSW-MRXNPFEDSA-N 1 1 320.389 2.225 20 5 DEBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000929954412 694058985 /nfs/dbraw/zinc/05/89/85/694058985.db2.gz IBVQMROZEXKZHN-LBPRGKRZSA-N 1 1 320.324 2.332 20 5 DEBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000929954412 694058990 /nfs/dbraw/zinc/05/89/90/694058990.db2.gz IBVQMROZEXKZHN-LBPRGKRZSA-N 1 1 320.324 2.332 20 5 DEBDMO CCc1[nH+]c(C)cn1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000865393378 687196641 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C[N@H+]1CC[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000866153358 687468187 /nfs/dbraw/zinc/46/81/87/687468187.db2.gz OIJMNYVSTRSMBU-SMDDNHRTSA-N 1 1 304.350 2.153 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866208347 687492458 /nfs/dbraw/zinc/49/24/58/687492458.db2.gz TVKYPEHKHHXVGL-JQWIXIFHSA-N 1 1 306.322 2.033 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]21 ZINC000866208346 687493036 /nfs/dbraw/zinc/49/30/36/687493036.db2.gz TVKYPEHKHHXVGL-CMPLNLGQSA-N 1 1 306.322 2.033 20 5 DEBDMO CCCN(CC(F)F)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942988 687843725 /nfs/dbraw/zinc/84/37/25/687843725.db2.gz ISUPCQUUHGWONC-CQSZACIVSA-N 1 1 315.320 2.272 20 5 DEBDMO CCOc1ccc([C@H](O)C2CC[NH+](CC[N+](=O)[O-])CC2)cc1 ZINC000930534191 694183728 /nfs/dbraw/zinc/18/37/28/694183728.db2.gz VVVUDMWEYMNGSK-INIZCTEOSA-N 1 1 308.378 2.107 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000869234347 688249943 /nfs/dbraw/zinc/24/99/43/688249943.db2.gz UXMWPLYBNNOUCV-GFCCVEGCSA-N 1 1 323.368 2.265 20 5 DEBDMO Cc1c(C(=O)N2CC[N@H+](C)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000871149793 688735986 /nfs/dbraw/zinc/73/59/86/688735986.db2.gz ISZHHAUDHVAZMZ-UHFFFAOYSA-N 1 1 305.378 2.460 20 5 DEBDMO C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085594 688924735 /nfs/dbraw/zinc/92/47/35/688924735.db2.gz PUVBTYVRVINPBM-ONGXEEELSA-N 1 1 323.324 2.368 20 5 DEBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1O ZINC000872262175 688967228 /nfs/dbraw/zinc/96/72/28/688967228.db2.gz SALFRNWMCXJLHN-JJXSEGSLSA-N 1 1 320.389 2.110 20 5 DEBDMO CO[C@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000879323072 690619084 /nfs/dbraw/zinc/61/90/84/690619084.db2.gz WYAMNJIYHRWXJW-STQMWFEESA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC000879714206 690713893 /nfs/dbraw/zinc/71/38/93/690713893.db2.gz GHKUKLHWWYBNOX-VIFPVBQESA-N 1 1 301.306 2.320 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880144285 690820654 /nfs/dbraw/zinc/82/06/54/690820654.db2.gz BJINPNUBTHYPIS-VXGBXAGGSA-N 1 1 321.377 2.015 20 5 DEBDMO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000880432993 690897359 /nfs/dbraw/zinc/89/73/59/690897359.db2.gz SHWKFRBRHIPAPD-ZIAGYGMSSA-N 1 1 314.769 2.484 20 5 DEBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000880432993 690897361 /nfs/dbraw/zinc/89/73/61/690897361.db2.gz SHWKFRBRHIPAPD-ZIAGYGMSSA-N 1 1 314.769 2.484 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCOc1ccccc1[N+](=O)[O-] ZINC000931725692 694465477 /nfs/dbraw/zinc/46/54/77/694465477.db2.gz CRPGSYKKXUWGIV-UONOGXRCSA-N 1 1 305.378 2.142 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000884483277 691748966 /nfs/dbraw/zinc/74/89/66/691748966.db2.gz QRTRGQCEDCQIDM-LRDDRELGSA-N 1 1 316.361 2.403 20 5 DEBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000886215781 692026413 /nfs/dbraw/zinc/02/64/13/692026413.db2.gz QWDSBLNIVDHCEO-OAHLLOKOSA-N 1 1 301.346 2.025 20 5 DEBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000886215781 692026416 /nfs/dbraw/zinc/02/64/16/692026416.db2.gz QWDSBLNIVDHCEO-OAHLLOKOSA-N 1 1 301.346 2.025 20 5 DEBDMO C[N@H+]1CCN(Cc2cccnc2[N+](=O)[O-])CC12CCCCC2 ZINC000886226756 692030401 /nfs/dbraw/zinc/03/04/01/692030401.db2.gz RCEJWGIAYZSAJK-UHFFFAOYSA-N 1 1 304.394 2.440 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886561836 692110683 /nfs/dbraw/zinc/11/06/83/692110683.db2.gz KNNNEJPAVLNDTK-SDDRHHMPSA-N 1 1 321.402 2.217 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886833189 692204295 /nfs/dbraw/zinc/20/42/95/692204295.db2.gz UWJCMMLLQIDGSP-DZGCQCFKSA-N 1 1 306.362 2.475 20 5 DEBDMO C[C@@]1([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)COC(=O)N1 ZINC000932025774 694531107 /nfs/dbraw/zinc/53/11/07/694531107.db2.gz HFQPKOKOZDNJTP-BBRMVZONSA-N 1 1 319.361 2.305 20 5 DEBDMO C[C@]1([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)COC(=O)N1 ZINC000932025777 694531266 /nfs/dbraw/zinc/53/12/66/694531266.db2.gz HFQPKOKOZDNJTP-CZUORRHYSA-N 1 1 319.361 2.305 20 5 DEBDMO CC1(C)CC[N@@H+](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000890075922 692854199 /nfs/dbraw/zinc/85/41/99/692854199.db2.gz SVFLHWYTAZBMRB-UHFFFAOYSA-N 1 1 309.341 2.196 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000932312724 694590989 /nfs/dbraw/zinc/59/09/89/694590989.db2.gz XWZPLYDWXVCYPK-GFCCVEGCSA-N 1 1 323.368 2.125 20 5 DEBDMO CC(C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccn1 ZINC000932446698 694617483 /nfs/dbraw/zinc/61/74/83/694617483.db2.gz UVBOHFPLYHJQEW-UHFFFAOYSA-N 1 1 303.366 2.345 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001334919432 1150354927 /nfs/dbraw/zinc/35/49/27/1150354927.db2.gz XAOHSIHSBFNWHZ-BXUZGUMPSA-N 1 1 322.361 2.310 20 5 DEBDMO Nc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001347865650 1151102889 /nfs/dbraw/zinc/10/28/89/1151102889.db2.gz GUNRLTXNMLYOCB-CYBMUJFWSA-N 1 1 313.361 2.258 20 5 DEBDMO CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001353920594 1151862251 /nfs/dbraw/zinc/86/22/51/1151862251.db2.gz YMSIBCCXJXBTHD-UHFFFAOYSA-N 1 1 323.312 2.452 20 5 DEBDMO O=[N+]([O-])c1cnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c(F)c1 ZINC001164773480 721286491 /nfs/dbraw/zinc/28/64/91/721286491.db2.gz QAXKCSNHQMOWPW-UHFFFAOYSA-N 1 1 306.341 2.051 20 5 DEBDMO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C[N@@H+](C)C(C)C ZINC001106778943 782931767 /nfs/dbraw/zinc/93/17/67/782931767.db2.gz NFLSFAWVNKZURP-UHFFFAOYSA-N 1 1 322.409 2.195 20 5 DEBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000745089881 784667282 /nfs/dbraw/zinc/66/72/82/784667282.db2.gz SCTIICHCHQJRCR-CQSZACIVSA-N 1 1 322.361 2.391 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000745089881 784667287 /nfs/dbraw/zinc/66/72/87/784667287.db2.gz SCTIICHCHQJRCR-CQSZACIVSA-N 1 1 322.361 2.391 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC001168894776 784950510 /nfs/dbraw/zinc/95/05/10/784950510.db2.gz XPMKLPYKHGMCHY-ZIAGYGMSSA-N 1 1 323.418 2.476 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC001168894776 784950514 /nfs/dbraw/zinc/95/05/14/784950514.db2.gz XPMKLPYKHGMCHY-ZIAGYGMSSA-N 1 1 323.418 2.476 20 5 DEBDMO CN(C)CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007418 785000486 /nfs/dbraw/zinc/00/04/86/785000486.db2.gz NPQKHFCIMUZIJD-IAGOWNOFSA-N 1 1 305.422 2.496 20 5 DEBDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@]1(O)C(F)(F)F ZINC001169012775 785003265 /nfs/dbraw/zinc/00/32/65/785003265.db2.gz SCLFJLLWMTTYJC-RHYQMDGZSA-N 1 1 310.316 2.067 20 5 DEBDMO COC(=O)C[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035630 785011978 /nfs/dbraw/zinc/01/19/78/785011978.db2.gz KXOLBMDCSPJCHJ-GJZGRUSLSA-N 1 1 306.362 2.107 20 5 DEBDMO COC(=O)C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035630 785011982 /nfs/dbraw/zinc/01/19/82/785011982.db2.gz KXOLBMDCSPJCHJ-GJZGRUSLSA-N 1 1 306.362 2.107 20 5 DEBDMO COC(=O)CC[N@@H+](Cc1ccco1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169024983 785018595 /nfs/dbraw/zinc/01/85/95/785018595.db2.gz IGVGPGLUYXTMPK-OLZOCXBDSA-N 1 1 310.350 2.090 20 5 DEBDMO COC(=O)CC[N@@H+](Cc1ccco1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169024985 785018888 /nfs/dbraw/zinc/01/88/88/785018888.db2.gz IGVGPGLUYXTMPK-QWHCGFSZSA-N 1 1 310.350 2.090 20 5 DEBDMO COC(=O)c1cccc2c1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169048434 785021865 /nfs/dbraw/zinc/02/18/65/785021865.db2.gz UZJZQJJUVGCJEC-TZMCWYRMSA-N 1 1 318.373 2.277 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170335148 786913721 /nfs/dbraw/zinc/91/37/21/786913721.db2.gz LRJDYIYMNKFFSV-WCQYABFASA-N 1 1 322.361 2.029 20 5 DEBDMO O=C1SCC[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901608 793522652 /nfs/dbraw/zinc/52/26/52/793522652.db2.gz OUQAHQDPGPCQEY-JSGCOSHPSA-N 1 1 306.387 2.464 20 5 DEBDMO Cc1nc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)no1 ZINC001172895786 793530251 /nfs/dbraw/zinc/53/02/51/793530251.db2.gz IWMOKQRMVKTKOP-ZDUSSCGKSA-N 1 1 302.334 2.323 20 5 DEBDMO CN1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172914282 793530669 /nfs/dbraw/zinc/53/06/69/793530669.db2.gz GJSLHLLRILDZCB-HNNXBMFYSA-N 1 1 317.389 2.006 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCN(C)C)c1F ZINC001173174829 793618245 /nfs/dbraw/zinc/61/82/45/793618245.db2.gz DCIOHMNOILJHSE-LLVKDONJSA-N 1 1 313.373 2.215 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[N@H+]3CC[C@H]3C2)c1F ZINC001173194587 793624811 /nfs/dbraw/zinc/62/48/11/793624811.db2.gz VWJKCBWIJAZPRT-RYUDHWBXSA-N 1 1 323.368 2.063 20 5 DEBDMO CC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232868 793645905 /nfs/dbraw/zinc/64/59/05/793645905.db2.gz UEBRRHUWUCFXRF-WBMJQRKESA-N 1 1 305.378 2.078 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](c2ncccn2)C2CC2)c1 ZINC001176345409 794405558 /nfs/dbraw/zinc/40/55/58/794405558.db2.gz NQUJCQUBYPVNEG-CABCVRRESA-N 1 1 314.345 2.159 20 5 DEBDMO C[NH+](C)[C@@H]1CCCC[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001118087770 795151684 /nfs/dbraw/zinc/15/16/84/795151684.db2.gz FQQOQHZSRRQMQD-OAGGEKHMSA-N 1 1 307.394 2.091 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001119448930 795303954 /nfs/dbraw/zinc/30/39/54/795303954.db2.gz UOZGICYLZDISMJ-MFKMUULPSA-N 1 1 322.340 2.292 20 5 DEBDMO O=[N+]([O-])c1c2nonc2ccc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001120803971 795534538 /nfs/dbraw/zinc/53/45/38/795534538.db2.gz BYIKVEFRADPPTF-SKDRFNHKSA-N 1 1 303.322 2.170 20 5 DEBDMO CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087332 795588334 /nfs/dbraw/zinc/58/83/34/795588334.db2.gz FAVRVRPMZOCNCA-VEYNDKAUSA-N 1 1 321.421 2.025 20 5 DEBDMO Cc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC001123263563 795882579 /nfs/dbraw/zinc/88/25/79/795882579.db2.gz JEHUQQBPKNZISU-FPMFFAJLSA-N 1 1 318.377 2.365 20 5 DEBDMO CCCC[N@@H+](C)CC1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001184936235 796147732 /nfs/dbraw/zinc/14/77/32/796147732.db2.gz DLYSQXNNQXWJFZ-UHFFFAOYSA-N 1 1 309.414 2.277 20 5 DEBDMO Nc1[nH+]ccc2c1CN(c1c([N+](=O)[O-])cccc1[N+](=O)[O-])CC2 ZINC001187870834 796598188 /nfs/dbraw/zinc/59/81/88/796598188.db2.gz GAIAMQNEDQOITP-UHFFFAOYSA-N 1 1 315.289 2.043 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001156387881 797991159 /nfs/dbraw/zinc/99/11/59/797991159.db2.gz HQFLHCJTDPQWBI-SNVBAGLBSA-N 1 1 314.773 2.025 20 5 DEBDMO Cc1cc(Cl)c([N+](=O)[O-])c(NCC[NH+]2CCSCC2)n1 ZINC001157043231 798132204 /nfs/dbraw/zinc/13/22/04/798132204.db2.gz GQXNNNOGJBADNW-UHFFFAOYSA-N 1 1 316.814 2.412 20 5 DEBDMO Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c(N)c1[N+](=O)[O-] ZINC001158232302 798365380 /nfs/dbraw/zinc/36/53/80/798365380.db2.gz VZQMLFGJPAYGJU-AAEUAGOBSA-N 1 1 318.377 2.441 20 5 DEBDMO C[NH+](C)/C=C/c1cc(NCCc2cnoc2)ncc1[N+](=O)[O-] ZINC001161701907 798915207 /nfs/dbraw/zinc/91/52/07/798915207.db2.gz GPTFAMYNKSXFKF-GQCTYLIASA-N 1 1 303.322 2.165 20 5 DEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@]1(C)CCC[N@@H+](C)C1 ZINC001162337480 799064597 /nfs/dbraw/zinc/06/45/97/799064597.db2.gz PCNKGPBXPZZCIL-OAHLLOKOSA-N 1 1 322.365 2.063 20 5 DEBDMO C[N@H+]1CCC[C@@](C)(Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001162342204 799066448 /nfs/dbraw/zinc/06/64/48/799066448.db2.gz QZFFKNARLDHPTM-OAHLLOKOSA-N 1 1 301.350 2.434 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1NCC[C@@H]1CC[NH2+]CC1(F)F ZINC001162807331 799180880 /nfs/dbraw/zinc/18/08/80/799180880.db2.gz BWTCIIIFUGTGKI-JTQLQIEISA-N 1 1 300.309 2.345 20 5 DEBDMO COc1nc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)n1 ZINC001163360589 799322583 /nfs/dbraw/zinc/32/25/83/799322583.db2.gz FCEMTLJPQKGTRH-ZYHUDNBSSA-N 1 1 323.397 2.233 20 5 DEBDMO C[NH+](C)/C=C/c1cc(N2CCC[C@@H](CCO)C2)ncc1[N+](=O)[O-] ZINC001166850294 799964368 /nfs/dbraw/zinc/96/43/68/799964368.db2.gz WGLFNAJGNFPKQL-LJLILKBBSA-N 1 1 320.393 2.121 20 5 DEBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1c1ccccc1 ZINC000934323336 800323028 /nfs/dbraw/zinc/32/30/28/800323028.db2.gz OQHPQYLGICZQAI-CQSZACIVSA-N 1 1 315.377 2.002 20 5 DEBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000935192089 800590781 /nfs/dbraw/zinc/59/07/81/800590781.db2.gz YANLNYNGSJIMHG-GUYJKWIASA-N 1 1 317.389 2.249 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000935212664 800596451 /nfs/dbraw/zinc/59/64/51/800596451.db2.gz GVBHDXSNHPIHFT-NEPJUHHUSA-N 1 1 323.368 2.218 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CCOc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229007219 801207724 /nfs/dbraw/zinc/20/77/24/801207724.db2.gz HAJWKEDOPBBFIQ-CQSZACIVSA-N 1 1 317.345 2.243 20 5 DEBDMO COc1ncc(Nc2cnc3c(c2)C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC001210136568 801340492 /nfs/dbraw/zinc/34/04/92/801340492.db2.gz MZCOROUICHFQAJ-UHFFFAOYSA-N 1 1 315.333 2.125 20 5 DEBDMO O=[N+]([O-])c1cccc2ncnc(O[C@H]3CCc4[nH+]ccn4C3)c21 ZINC001231055206 801566838 /nfs/dbraw/zinc/56/68/38/801566838.db2.gz GSLUWPTWDMSRDG-JTQLQIEISA-N 1 1 311.301 2.128 20 5 DEBDMO COC(=O)c1cnc(O[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001233861734 802228254 /nfs/dbraw/zinc/22/82/54/802228254.db2.gz KOOSHLNFMTVCKP-LBPRGKRZSA-N 1 1 323.349 2.028 20 5 DEBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001233986413 802258934 /nfs/dbraw/zinc/25/89/34/802258934.db2.gz LBVVNRCKHKOHSW-CQSZACIVSA-N 1 1 308.378 2.376 20 5 DEBDMO Cc1cnc(CO[C@@H]2CCc3[nH+]ccn3C2)c(C)c1[N+](=O)[O-] ZINC001224185679 802845881 /nfs/dbraw/zinc/84/58/81/802845881.db2.gz MDQCPSIVKXPPGI-GFCCVEGCSA-N 1 1 302.334 2.335 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cccnc1C[NH+](C)C ZINC001225278697 802950442 /nfs/dbraw/zinc/95/04/42/802950442.db2.gz OYLCHYWGGQXKIT-NSHDSACASA-N 1 1 319.365 2.024 20 5 DEBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225709836 803004121 /nfs/dbraw/zinc/00/41/21/803004121.db2.gz DGLXMFHWNNNEKF-MRCXROJRSA-N 1 1 310.737 2.431 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225709836 803004133 /nfs/dbraw/zinc/00/41/33/803004133.db2.gz DGLXMFHWNNNEKF-MRCXROJRSA-N 1 1 310.737 2.431 20 5 DEBDMO CC[N@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225896191 803026821 /nfs/dbraw/zinc/02/68/21/803026821.db2.gz DAPPHCVPDBYQHI-VIFPVBQESA-N 1 1 305.256 2.482 20 5 DEBDMO C[N@@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001226508867 803117160 /nfs/dbraw/zinc/11/71/60/803117160.db2.gz DTVZEEMZKSGLHS-LBPRGKRZSA-N 1 1 302.330 2.457 20 5 DEBDMO C[N@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001226508867 803117167 /nfs/dbraw/zinc/11/71/67/803117167.db2.gz DTVZEEMZKSGLHS-LBPRGKRZSA-N 1 1 302.330 2.457 20 5 DEBDMO CC[N@H+]1CC[C@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226805189 803163347 /nfs/dbraw/zinc/16/33/47/803163347.db2.gz WRAYPJZEWMCRQX-VIFPVBQESA-N 1 1 306.297 2.150 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001227046784 803192524 /nfs/dbraw/zinc/19/25/24/803192524.db2.gz MMNZMEPIZHHCAL-ITGUQSILSA-N 1 1 320.345 2.385 20 5 DEBDMO C[N@H+]1CC[C@@](O)(CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001331149446 1149388570 /nfs/dbraw/zinc/38/85/70/1149388570.db2.gz GAMKUBQJHHIUKQ-GFCCVEGCSA-N 1 1 319.283 2.092 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC001344874917 1150847913 /nfs/dbraw/zinc/84/79/13/1150847913.db2.gz IWBVGHKETJVVAU-FZMZJTMJSA-N 1 1 304.350 2.071 20 5 DEBDMO COc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001345843159 1150920763 /nfs/dbraw/zinc/92/07/63/1150920763.db2.gz WTWIVKZFSMZPCZ-LBPRGKRZSA-N 1 1 322.365 2.209 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001328516477 1148805035 /nfs/dbraw/zinc/80/50/35/1148805035.db2.gz MPJCEXCUIVOCTB-MBNYWOFBSA-N 1 1 306.410 2.498 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001456228806 1057831797 /nfs/dbraw/zinc/83/17/97/1057831797.db2.gz JBTZSGWTCOOONF-AWEZNQCLSA-N 1 1 323.368 2.123 20 5 DEBDMO COC(=O)c1cc(C)nc(NCc2[nH]c(C)[nH+]c2C)c1[N+](=O)[O-] ZINC001458614306 1058074831 /nfs/dbraw/zinc/07/48/31/1058074831.db2.gz CHNVINCUYQTDGL-UHFFFAOYSA-N 1 1 319.321 2.037 20 5 DEBDMO C[C@@]12CSC[C@@H]1C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001460903691 1058538627 /nfs/dbraw/zinc/53/86/27/1058538627.db2.gz YRCQZIHFYOXNNH-AEGPPILISA-N 1 1 308.403 2.313 20 5 DEBDMO CC[C@]1([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC001617719626 1078147293 /nfs/dbraw/zinc/14/72/93/1078147293.db2.gz IYHROJJDPFTOHE-HNNXBMFYSA-N 1 1 318.333 2.304 20 5 DEBDMO CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001625754399 1078250810 /nfs/dbraw/zinc/25/08/10/1078250810.db2.gz LPTRVHOIWCAUJN-UHFFFAOYSA-N 1 1 303.322 2.136 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001629715783 1078324304 /nfs/dbraw/zinc/32/43/04/1078324304.db2.gz ZXQSPDAPCQVBJH-DOMZBBRYSA-N 1 1 320.393 2.391 20 5 DEBDMO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@@H](C)[C@H]1C ZINC001576761451 1066681705 /nfs/dbraw/zinc/68/17/05/1066681705.db2.gz ZMWHHOFNJYASQD-KZTGVZKYSA-N 1 1 305.378 2.272 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C(C)(C)C1 ZINC001635648760 1078455484 /nfs/dbraw/zinc/45/54/84/1078455484.db2.gz JIURALORZCBOSX-ZDUSSCGKSA-N 1 1 316.361 2.146 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001635648152 1078455490 /nfs/dbraw/zinc/45/54/90/1078455490.db2.gz CMWAHTHZNBTCPQ-CYBMUJFWSA-N 1 1 321.377 2.064 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC001636535924 1078480595 /nfs/dbraw/zinc/48/05/95/1078480595.db2.gz UTJLHRYHDFOEGL-GHMZBOCLSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC001636535924 1078480596 /nfs/dbraw/zinc/48/05/96/1078480596.db2.gz UTJLHRYHDFOEGL-GHMZBOCLSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1nc(NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)sc1C ZINC001579864107 1067441469 /nfs/dbraw/zinc/44/14/69/1067441469.db2.gz IFGAPZUWWOSNKD-CQSZACIVSA-N 1 1 320.374 2.481 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001640319927 1078654161 /nfs/dbraw/zinc/65/41/61/1078654161.db2.gz FARGERWXPGRITQ-LLVKDONJSA-N 1 1 304.325 2.210 20 5 DEBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCCC1 ZINC001267257803 1078703653 /nfs/dbraw/zinc/70/36/53/1078703653.db2.gz WBSRYXLOVTVFDA-HUUCEWRRSA-N 1 1 311.426 2.059 20 5 DEBDMO CC(C)[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCCC1 ZINC001267257803 1078703659 /nfs/dbraw/zinc/70/36/59/1078703659.db2.gz WBSRYXLOVTVFDA-HUUCEWRRSA-N 1 1 311.426 2.059 20 5 DEBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCCC1 ZINC001267257803 1078703663 /nfs/dbraw/zinc/70/36/63/1078703663.db2.gz WBSRYXLOVTVFDA-HUUCEWRRSA-N 1 1 311.426 2.059 20 5 DEBDMO CC(C)(C)CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001571686980 1068481471 /nfs/dbraw/zinc/48/14/71/1068481471.db2.gz PYUCJPIBHUWHDN-HUUCEWRRSA-N 1 1 323.437 2.226 20 5 DEBDMO CC(C)(C)CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001571686980 1068481476 /nfs/dbraw/zinc/48/14/76/1068481476.db2.gz PYUCJPIBHUWHDN-HUUCEWRRSA-N 1 1 323.437 2.226 20 5 DEBDMO CC(C)(C)CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001571686980 1068481482 /nfs/dbraw/zinc/48/14/82/1068481482.db2.gz PYUCJPIBHUWHDN-HUUCEWRRSA-N 1 1 323.437 2.226 20 5 DEBDMO CC(C)c1[nH+]ccn1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001643207086 1078790083 /nfs/dbraw/zinc/79/00/83/1078790083.db2.gz YAWUZHXKYUTCKE-UHFFFAOYSA-N 1 1 317.349 2.126 20 5 DEBDMO Nc1cc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001515908649 1068905071 /nfs/dbraw/zinc/90/50/71/1068905071.db2.gz PIHJRCFXWNSYRH-ZDUSSCGKSA-N 1 1 313.361 2.258 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC001556123031 1075018828 /nfs/dbraw/zinc/01/88/28/1075018828.db2.gz ZJPIBPXVAOBTJT-LBPRGKRZSA-N 1 1 321.377 2.206 20 5 DEBDMO Cc1c(CC(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001556122606 1075018934 /nfs/dbraw/zinc/01/89/34/1075018934.db2.gz PJMHETJBQLQUQP-OAHLLOKOSA-N 1 1 319.405 2.435 20 5 DEBDMO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C(=O)OC ZINC001560165146 1075133139 /nfs/dbraw/zinc/13/31/39/1075133139.db2.gz DEPQWHYGZGQPGU-UHFFFAOYSA-N 1 1 310.350 2.247 20 5 DEBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C(=O)OC ZINC001560165146 1075133142 /nfs/dbraw/zinc/13/31/42/1075133142.db2.gz DEPQWHYGZGQPGU-UHFFFAOYSA-N 1 1 310.350 2.247 20 5 DEBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590191055 1076579449 /nfs/dbraw/zinc/57/94/49/1076579449.db2.gz OQJRJDZAJUXCID-UWVGGRQHSA-N 1 1 302.338 2.005 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001595414697 1077062094 /nfs/dbraw/zinc/06/20/94/1077062094.db2.gz COYVLCXVQFSLAM-UHFFFAOYSA-N 1 1 316.361 2.401 20 5 DEBDMO Cc1[nH]c(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)c(C)[nH+]1 ZINC001596960138 1077086166 /nfs/dbraw/zinc/08/61/66/1077086166.db2.gz OZNXWZWXFZQIHZ-UHFFFAOYSA-N 1 1 302.334 2.102 20 5 DEBDMO Cc1noc(CN2CC[N@@H+](C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001654795232 1079976874 /nfs/dbraw/zinc/97/68/74/1079976874.db2.gz WNRVGVDRYKUZEI-NSHDSACASA-N 1 1 308.382 2.340 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001655747178 1080016258 /nfs/dbraw/zinc/01/62/58/1080016258.db2.gz OLBGJVOXPNVKBI-KNCOVGOOSA-N 1 1 304.394 2.468 20 5 DEBDMO CC/C=C(\C)C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001268547742 1080743218 /nfs/dbraw/zinc/74/32/18/1080743218.db2.gz UZDIJGKQJUKMRW-YIXHJXPBSA-N 1 1 317.389 2.499 20 5 DEBDMO C/C=C(/C)C(=O)N(C)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001667549519 1081262050 /nfs/dbraw/zinc/26/20/50/1081262050.db2.gz ULYCCIDZGGTGLH-ACAGNQJTSA-N 1 1 305.378 2.451 20 5 DEBDMO CCN(CC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001482924376 1082563374 /nfs/dbraw/zinc/56/33/74/1082563374.db2.gz GACITGSBIRZDLH-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO COC[C@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC001168533297 1083474304 /nfs/dbraw/zinc/47/43/04/1083474304.db2.gz YFFWWGFJMYMRNQ-LBPRGKRZSA-N 1 1 318.333 2.159 20 5 DEBDMO COc1cc(C(=O)Nc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])cc1F ZINC001127822679 1083590891 /nfs/dbraw/zinc/59/08/91/1083590891.db2.gz ISRMPJWOSSWWSK-UHFFFAOYSA-N 1 1 319.292 2.429 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000718974989 1088745590 /nfs/dbraw/zinc/74/55/90/1088745590.db2.gz MEPSMMCBRUCCGY-JTQLQIEISA-N 1 1 312.753 2.443 20 5 DEBDMO CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001318953198 1140477155 /nfs/dbraw/zinc/47/71/55/1140477155.db2.gz OEAYPAWRTDYYSG-PHEFVPHCSA-N 1 1 309.410 2.025 20 5 DEBDMO [NH3+][C@@H](Cc1ccco1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247096230 1141285422 /nfs/dbraw/zinc/28/54/22/1141285422.db2.gz JWJBNMIPSZAJCX-VIFPVBQESA-N 1 1 319.252 2.014 20 5 DEBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CC3CC[NH+]2CC3)n1 ZINC001247373422 1141346398 /nfs/dbraw/zinc/34/63/98/1141346398.db2.gz LXCPTKCEANQDBP-NSHDSACASA-N 1 1 319.296 2.336 20 5 DEBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001322271482 1141497963 /nfs/dbraw/zinc/49/79/63/1141497963.db2.gz ALWPZLOTTNPTDC-GFCCVEGCSA-N 1 1 321.352 2.225 20 5 DEBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001322271482 1141497967 /nfs/dbraw/zinc/49/79/67/1141497967.db2.gz ALWPZLOTTNPTDC-GFCCVEGCSA-N 1 1 321.352 2.225 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@](CO)(C(C)C)C2)c1[N+](=O)[O-] ZINC001336812956 1142583030 /nfs/dbraw/zinc/58/30/30/1142583030.db2.gz KJZIUEPNGXFASE-INIZCTEOSA-N 1 1 324.377 2.149 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001339201028 1142978966 /nfs/dbraw/zinc/97/89/66/1142978966.db2.gz NYIDDLLICWSVQU-AEGPPILISA-N 1 1 317.389 2.282 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC34COC4)CC2)cc1 ZINC001254479309 1143132866 /nfs/dbraw/zinc/13/28/66/1143132866.db2.gz XEQYPSCWBLACST-UHFFFAOYSA-N 1 1 303.362 2.038 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCC34COC4)CC2)cc1 ZINC001254479309 1143132890 /nfs/dbraw/zinc/13/28/90/1143132890.db2.gz XEQYPSCWBLACST-UHFFFAOYSA-N 1 1 303.362 2.038 20 5 DEBDMO COC(=O)[C@H]1CCC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254550720 1143243542 /nfs/dbraw/zinc/24/35/42/1143243542.db2.gz PLQBRBSTLYLSCP-OCCSQVGLSA-N 1 1 306.362 2.411 20 5 DEBDMO CC(=O)N1CCC([N@H+](C)[C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254560497 1143249075 /nfs/dbraw/zinc/24/90/75/1143249075.db2.gz UFOAXGFFTXSPQK-ZDUSSCGKSA-N 1 1 319.405 2.469 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001254599722 1143274188 /nfs/dbraw/zinc/27/41/88/1143274188.db2.gz PJFVVSMBNYKOFU-SFHVURJKSA-N 1 1 324.384 2.279 20 5 DEBDMO CN1CCC[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254607652 1143278513 /nfs/dbraw/zinc/27/85/13/1143278513.db2.gz LPIIEFKFLNLWHP-XYPHTWIQSA-N 1 1 301.390 2.088 20 5 DEBDMO O=C1CC[C@]2(CCC[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)O1 ZINC001254609793 1143283078 /nfs/dbraw/zinc/28/30/78/1143283078.db2.gz YDRAWPGPXUVOHN-WBVHZDCISA-N 1 1 316.357 2.234 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC001261291306 1144231237 /nfs/dbraw/zinc/23/12/37/1144231237.db2.gz SYPGSIDDUJSDRQ-ZDUSSCGKSA-N 1 1 320.393 2.191 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001261498685 1144252525 /nfs/dbraw/zinc/25/25/25/1144252525.db2.gz NDDXNHWQQNNYTM-GFCCVEGCSA-N 1 1 321.352 2.353 20 5 DEBDMO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc([N+](=O)[O-])cc3)C[N@H+]2C1 ZINC001263709986 1144390142 /nfs/dbraw/zinc/39/01/42/1144390142.db2.gz JHJXBLVZMZFTGQ-XPKDYRNWSA-N 1 1 317.389 2.331 20 5 DEBDMO C[N@H+](CCNC(=O)CC1(C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001492346699 1147238449 /nfs/dbraw/zinc/23/84/49/1147238449.db2.gz SRJKBMVNEAUVFA-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO C[N@@H+](CCNC(=O)CC1(C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001492346699 1147238458 /nfs/dbraw/zinc/23/84/58/1147238458.db2.gz SRJKBMVNEAUVFA-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO C[N@H+]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C(C)(C)C1 ZINC001303989489 1147341681 /nfs/dbraw/zinc/34/16/81/1147341681.db2.gz QGXLNAPGBIVYDI-CQSZACIVSA-N 1 1 316.361 2.146 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@@H](Nc3ccncc3[N+](=O)[O-])C2)cc1 ZINC001307192629 1147404964 /nfs/dbraw/zinc/40/49/64/1147404964.db2.gz ZUOMAWDWQVKHLA-OAHLLOKOSA-N 1 1 312.373 2.407 20 5 DEBDMO Cc1noc(C)c1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001307999679 1147440218 /nfs/dbraw/zinc/44/02/18/1147440218.db2.gz MMMQTDMEVYEDBZ-OAHLLOKOSA-N 1 1 305.334 2.197 20 5 DEBDMO CCC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001316930987 1147633819 /nfs/dbraw/zinc/63/38/19/1147633819.db2.gz OXYGSRDNJKRDAZ-DOOVEFGSSA-N 1 1 323.437 2.321 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000612444835 361829733 /nfs/dbraw/zinc/82/97/33/361829733.db2.gz VXXWVOPDZFSQNP-LBPRGKRZSA-N 1 1 315.377 2.316 20 5 DEBDMO C[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000185234722 282261070 /nfs/dbraw/zinc/26/10/70/282261070.db2.gz LEJKYQQABRTFQJ-DGCLKSJQSA-N 1 1 321.352 2.144 20 5 DEBDMO COC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000181577771 199321493 /nfs/dbraw/zinc/32/14/93/199321493.db2.gz PIRAYONCYBLYCU-CYBMUJFWSA-N 1 1 318.333 2.159 20 5 DEBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000189496761 282311298 /nfs/dbraw/zinc/31/12/98/282311298.db2.gz IDFQZEUIJNIWTM-GFCCVEGCSA-N 1 1 322.283 2.219 20 5 DEBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCC[N@@H+](C)C1 ZINC000444652092 530023290 /nfs/dbraw/zinc/02/32/90/530023290.db2.gz SFWKVPMTIAEDMD-LBPRGKRZSA-N 1 1 317.393 2.245 20 5 DEBDMO C[NH+]1CCN(CCC(C)(C)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000302240464 530072074 /nfs/dbraw/zinc/07/20/74/530072074.db2.gz HYYOQNWYMGDASM-UHFFFAOYSA-N 1 1 306.410 2.423 20 5 DEBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCCCCO)cccc1[N+](=O)[O-] ZINC000279771653 215132093 /nfs/dbraw/zinc/13/20/93/215132093.db2.gz SXBNPXCCUYWMDK-CYBMUJFWSA-N 1 1 323.393 2.325 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCCCCO)cccc1[N+](=O)[O-] ZINC000279771660 215132394 /nfs/dbraw/zinc/13/23/94/215132394.db2.gz SXBNPXCCUYWMDK-ZDUSSCGKSA-N 1 1 323.393 2.325 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCO[C@H](C)C1 ZINC000170774577 197821312 /nfs/dbraw/zinc/82/13/12/197821312.db2.gz PCHUZRYGGXMMKM-CYBMUJFWSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@H]1OCC[C@]12C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279920672 215237811 /nfs/dbraw/zinc/23/78/11/215237811.db2.gz WFAJOWUCETVRBS-IOASZLSFSA-N 1 1 306.362 2.363 20 5 DEBDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279920672 215237812 /nfs/dbraw/zinc/23/78/12/215237812.db2.gz WFAJOWUCETVRBS-IOASZLSFSA-N 1 1 306.362 2.363 20 5 DEBDMO C[C@@H]1OCC[C@]12C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279920675 215238709 /nfs/dbraw/zinc/23/87/09/215238709.db2.gz WFAJOWUCETVRBS-WWGRRREGSA-N 1 1 306.362 2.363 20 5 DEBDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279920675 215238712 /nfs/dbraw/zinc/23/87/12/215238712.db2.gz WFAJOWUCETVRBS-WWGRRREGSA-N 1 1 306.362 2.363 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000149226798 186048230 /nfs/dbraw/zinc/04/82/30/186048230.db2.gz RYWDWHXLJVWKTO-UHFFFAOYSA-N 1 1 311.769 2.416 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1CCOCC1 ZINC000155974484 186124497 /nfs/dbraw/zinc/12/44/97/186124497.db2.gz FIPUREJOBGMBGE-UHFFFAOYSA-N 1 1 321.377 2.200 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)C1CCC1 ZINC000275907440 186460035 /nfs/dbraw/zinc/46/00/35/186460035.db2.gz WLLLGASSWHMNEL-UHFFFAOYSA-N 1 1 321.377 2.079 20 5 DEBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494746 358464400 /nfs/dbraw/zinc/46/44/00/358464400.db2.gz ZZGXJIVDWONQFT-WFASDCNBSA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494746 358464403 /nfs/dbraw/zinc/46/44/03/358464403.db2.gz ZZGXJIVDWONQFT-WFASDCNBSA-N 1 1 323.368 2.029 20 5 DEBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)C ZINC000172170639 198051460 /nfs/dbraw/zinc/05/14/60/198051460.db2.gz QAHFKVZMDMOYMM-UHFFFAOYSA-N 1 1 305.378 2.462 20 5 DEBDMO Cc1cnc([C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000331980340 234347204 /nfs/dbraw/zinc/34/72/04/234347204.db2.gz WJVZIYXQGJIYBT-NSHDSACASA-N 1 1 305.338 2.486 20 5 DEBDMO Cc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174735700 198377647 /nfs/dbraw/zinc/37/76/47/198377647.db2.gz YZSKYYMKLPWOHE-CJNGLKHVSA-N 1 1 318.377 2.154 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000174869144 198395128 /nfs/dbraw/zinc/39/51/28/198395128.db2.gz GTYKEFCVPRBBNB-CQSZACIVSA-N 1 1 318.352 2.495 20 5 DEBDMO COc1ccc([C@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174815702 198389060 /nfs/dbraw/zinc/38/90/60/198389060.db2.gz HMTWKYHWBSGIBT-LBPRGKRZSA-N 1 1 304.350 2.493 20 5 DEBDMO CCCC[N@H+](CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182171427 199397236 /nfs/dbraw/zinc/39/72/36/199397236.db2.gz JFDXJZUIOOGGPQ-UHFFFAOYSA-N 1 1 314.407 2.491 20 5 DEBDMO CCCC[N@@H+](CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182171427 199397238 /nfs/dbraw/zinc/39/72/38/199397238.db2.gz JFDXJZUIOOGGPQ-UHFFFAOYSA-N 1 1 314.407 2.491 20 5 DEBDMO CNc1ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000041319119 354172262 /nfs/dbraw/zinc/17/22/62/354172262.db2.gz WMYQHRHFPQAJFY-UHFFFAOYSA-N 1 1 308.382 2.097 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000047253481 354310245 /nfs/dbraw/zinc/31/02/45/354310245.db2.gz MTVDVJODBHJYGI-FRRDWIJNSA-N 1 1 307.398 2.170 20 5 DEBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000047984084 354336989 /nfs/dbraw/zinc/33/69/89/354336989.db2.gz INUMAALRKCFZDG-HNNXBMFYSA-N 1 1 317.389 2.333 20 5 DEBDMO COCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000054354523 354459556 /nfs/dbraw/zinc/45/95/56/354459556.db2.gz VWGDSOIRKREPOW-SECBINFHSA-N 1 1 315.757 2.153 20 5 DEBDMO COCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000054354523 354459557 /nfs/dbraw/zinc/45/95/57/354459557.db2.gz VWGDSOIRKREPOW-SECBINFHSA-N 1 1 315.757 2.153 20 5 DEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000058300227 354590066 /nfs/dbraw/zinc/59/00/66/354590066.db2.gz AVIRLXYDODLBGE-UONOGXRCSA-N 1 1 307.325 2.091 20 5 DEBDMO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000078728094 355275396 /nfs/dbraw/zinc/27/53/96/355275396.db2.gz IPMCUOCEWRVNIR-OAHLLOKOSA-N 1 1 322.361 2.139 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000088723438 355518122 /nfs/dbraw/zinc/51/81/22/355518122.db2.gz SCZPKAGMJOTWNE-OAHLLOKOSA-N 1 1 318.421 2.119 20 5 DEBDMO C[C@@H](C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000090525398 355563029 /nfs/dbraw/zinc/56/30/29/355563029.db2.gz LXWUDILOWSHSTN-AWEZNQCLSA-N 1 1 315.373 2.492 20 5 DEBDMO CCOC(=O)c1ccnc(NCC[N@@H+](C)[C@@H](C)CC)c1[N+](=O)[O-] ZINC000077963222 191801657 /nfs/dbraw/zinc/80/16/57/191801657.db2.gz MWBJFQGIOISBLR-NSHDSACASA-N 1 1 324.381 2.309 20 5 DEBDMO CC(C)[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000140508668 355886765 /nfs/dbraw/zinc/88/67/65/355886765.db2.gz AWQGBVPDZGNALO-HOCLYGCPSA-N 1 1 308.378 2.455 20 5 DEBDMO CCC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000194362789 356238540 /nfs/dbraw/zinc/23/85/40/356238540.db2.gz KYDKUWVLOBMCRM-CQSZACIVSA-N 1 1 308.378 2.457 20 5 DEBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255740082 356338217 /nfs/dbraw/zinc/33/82/17/356338217.db2.gz IDEYPYZRQSHNJN-QQNRWZHASA-N 1 1 315.373 2.351 20 5 DEBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255740082 356338222 /nfs/dbraw/zinc/33/82/22/356338222.db2.gz IDEYPYZRQSHNJN-QQNRWZHASA-N 1 1 315.373 2.351 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000319918754 356442686 /nfs/dbraw/zinc/44/26/86/356442686.db2.gz LGWMHRTZXHARMS-TZMCWYRMSA-N 1 1 310.398 2.115 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081360869 192255685 /nfs/dbraw/zinc/25/56/85/192255685.db2.gz OXDXDVLMSQPNSD-ZDUSSCGKSA-N 1 1 305.378 2.399 20 5 DEBDMO CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000590659599 357573697 /nfs/dbraw/zinc/57/36/97/357573697.db2.gz VHGRDFSNLUUMHH-BXUZGUMPSA-N 1 1 322.361 2.223 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000590522977 357553482 /nfs/dbraw/zinc/55/34/82/357553482.db2.gz PZHVJSOOLQMVSB-CYBMUJFWSA-N 1 1 321.377 2.078 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000590522977 357553486 /nfs/dbraw/zinc/55/34/86/357553486.db2.gz PZHVJSOOLQMVSB-CYBMUJFWSA-N 1 1 321.377 2.078 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000590797888 357614214 /nfs/dbraw/zinc/61/42/14/357614214.db2.gz SKYFVUSPJLVNTI-LBPRGKRZSA-N 1 1 306.366 2.461 20 5 DEBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCCN1 ZINC000591275604 357697485 /nfs/dbraw/zinc/69/74/85/357697485.db2.gz IPKGUQJNSHLWKU-GXTWGEPZSA-N 1 1 320.393 2.044 20 5 DEBDMO CC[N@@H+](CCSC)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000592205215 357851637 /nfs/dbraw/zinc/85/16/37/357851637.db2.gz XQNFPUAZDHWNQT-CQSZACIVSA-N 1 1 323.418 2.385 20 5 DEBDMO CCCN(C(=O)c1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@@H+](C)C1 ZINC000592830379 357953304 /nfs/dbraw/zinc/95/33/04/357953304.db2.gz DNGLZVUXJBSRLN-ZDUSSCGKSA-N 1 1 305.378 2.460 20 5 DEBDMO CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000592833317 357954321 /nfs/dbraw/zinc/95/43/21/357954321.db2.gz YLSGOTOARFORNS-OAHLLOKOSA-N 1 1 305.378 2.080 20 5 DEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000593062585 357999185 /nfs/dbraw/zinc/99/91/85/357999185.db2.gz OHWJJLDYFPWADX-DOMZBBRYSA-N 1 1 321.377 2.423 20 5 DEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593127103 358017492 /nfs/dbraw/zinc/01/74/92/358017492.db2.gz RLWRCYVQXYHOKT-LSDHHAIUSA-N 1 1 304.346 2.226 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000593187668 358028933 /nfs/dbraw/zinc/02/89/33/358028933.db2.gz NLZIBVBXKGXOTC-YNEHKIRRSA-N 1 1 305.378 2.077 20 5 DEBDMO CCCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000593748573 358136244 /nfs/dbraw/zinc/13/62/44/358136244.db2.gz JRJPKNSOFZLTQG-CQSZACIVSA-N 1 1 323.368 2.219 20 5 DEBDMO CCOc1cc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC000593995208 358185915 /nfs/dbraw/zinc/18/59/15/358185915.db2.gz QFANJMQYTYWCLV-ZDUSSCGKSA-N 1 1 321.377 2.046 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000594919725 358357617 /nfs/dbraw/zinc/35/76/17/358357617.db2.gz KCYBGKSKZBUHNS-UHFFFAOYSA-N 1 1 316.361 2.500 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc(C)nn1C ZINC000595040805 358382283 /nfs/dbraw/zinc/38/22/83/358382283.db2.gz XWDYJQQATWUTDK-LLVKDONJSA-N 1 1 304.350 2.496 20 5 DEBDMO Cc1noc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c1[N+](=O)[O-] ZINC000595292918 358414728 /nfs/dbraw/zinc/41/47/28/358414728.db2.gz FSIDXGLCYCNDGF-GFCCVEGCSA-N 1 1 317.349 2.369 20 5 DEBDMO Cc1noc(C[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c1[N+](=O)[O-] ZINC000595292918 358414729 /nfs/dbraw/zinc/41/47/29/358414729.db2.gz FSIDXGLCYCNDGF-GFCCVEGCSA-N 1 1 317.349 2.369 20 5 DEBDMO NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595306895 358418721 /nfs/dbraw/zinc/41/87/21/358418721.db2.gz PPPXZZXMZPNZIH-NSHDSACASA-N 1 1 309.341 2.211 20 5 DEBDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595306895 358418724 /nfs/dbraw/zinc/41/87/24/358418724.db2.gz PPPXZZXMZPNZIH-NSHDSACASA-N 1 1 309.341 2.211 20 5 DEBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595391761 358438487 /nfs/dbraw/zinc/43/84/87/358438487.db2.gz ALVJKPUTSNURBO-LBPRGKRZSA-N 1 1 304.325 2.457 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000595804668 358552570 /nfs/dbraw/zinc/55/25/70/358552570.db2.gz BSKXQQGKNSNIMO-AWEZNQCLSA-N 1 1 320.393 2.221 20 5 DEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1COCCO1 ZINC000595743169 358537918 /nfs/dbraw/zinc/53/79/18/358537918.db2.gz QRECQRUCRAVNOO-HNNXBMFYSA-N 1 1 324.377 2.229 20 5 DEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1COCCO1 ZINC000595743169 358537924 /nfs/dbraw/zinc/53/79/24/358537924.db2.gz QRECQRUCRAVNOO-HNNXBMFYSA-N 1 1 324.377 2.229 20 5 DEBDMO O=[N+]([O-])c1cncc(Cl)c1NCCc1cn2c([nH+]1)CCCC2 ZINC000596073754 358603767 /nfs/dbraw/zinc/60/37/67/358603767.db2.gz UVYXHPSNYSIWAM-UHFFFAOYSA-N 1 1 321.768 2.253 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597925935 359044525 /nfs/dbraw/zinc/04/45/25/359044525.db2.gz YQHRDODYFQPXGS-ZDUSSCGKSA-N 1 1 323.368 2.265 20 5 DEBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000598508722 359224141 /nfs/dbraw/zinc/22/41/41/359224141.db2.gz HPQNJFNQQLPJRB-CYBMUJFWSA-N 1 1 315.329 2.192 20 5 DEBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000598508722 359224146 /nfs/dbraw/zinc/22/41/46/359224146.db2.gz HPQNJFNQQLPJRB-CYBMUJFWSA-N 1 1 315.329 2.192 20 5 DEBDMO O=[N+]([O-])c1cc(NCC[N@@H+]2CC[C@@H](O)C2)ccc1C(F)(F)F ZINC000599176753 359426041 /nfs/dbraw/zinc/42/60/41/359426041.db2.gz WPVCACJFDJFMHA-SNVBAGLBSA-N 1 1 319.283 2.092 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1N1CCC([NH+]2CCOCC2)CC1 ZINC000599107127 359405038 /nfs/dbraw/zinc/40/50/38/359405038.db2.gz ZPULMDRCGLEQLS-UHFFFAOYSA-N 1 1 309.341 2.035 20 5 DEBDMO NC(=O)c1ccc(C[N@H+]2CCCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000599552980 359523849 /nfs/dbraw/zinc/52/38/49/359523849.db2.gz OZFMDLXCYLYSIM-UHFFFAOYSA-N 1 1 313.304 2.315 20 5 DEBDMO CCC(O)(CC)C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000599673434 359567060 /nfs/dbraw/zinc/56/70/60/359567060.db2.gz ODTOEJGOHJEPPD-UHFFFAOYSA-N 1 1 323.393 2.325 20 5 DEBDMO CCC(O)(CC)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599673066 359564673 /nfs/dbraw/zinc/56/46/73/359564673.db2.gz IXXJMDYHWVGXKO-UHFFFAOYSA-N 1 1 306.366 2.454 20 5 DEBDMO COCCOC[C@@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601122335 359930391 /nfs/dbraw/zinc/93/03/91/359930391.db2.gz XRMVFQWFDQJPDY-LLVKDONJSA-N 1 1 305.334 2.028 20 5 DEBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000601185530 359956695 /nfs/dbraw/zinc/95/66/95/359956695.db2.gz WNTVOHZAOHBDHK-ZDUSSCGKSA-N 1 1 316.361 2.061 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601149401 359942853 /nfs/dbraw/zinc/94/28/53/359942853.db2.gz JXONCZJWQVXIJV-NSHDSACASA-N 1 1 309.341 2.338 20 5 DEBDMO CCOC[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601202583 359963759 /nfs/dbraw/zinc/96/37/59/359963759.db2.gz CZKHAINXZOOMPO-ZDUSSCGKSA-N 1 1 317.345 2.385 20 5 DEBDMO CC(C)c1[nH+]ccn1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000602074358 360256411 /nfs/dbraw/zinc/25/64/11/360256411.db2.gz PFKJXZOXWDOKSJ-UHFFFAOYSA-N 1 1 302.334 2.231 20 5 DEBDMO C[N@@H+](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])CC(C)(C)C ZINC000602102041 360265618 /nfs/dbraw/zinc/26/56/18/360265618.db2.gz CVCYPEQFYQSCCK-UHFFFAOYSA-N 1 1 305.378 2.462 20 5 DEBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602692443 360502033 /nfs/dbraw/zinc/50/20/33/360502033.db2.gz HWAJCZJEFDGTTG-WDEREUQCSA-N 1 1 305.334 2.329 20 5 DEBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602783904 360552655 /nfs/dbraw/zinc/55/26/55/360552655.db2.gz HRPKKQMFODUVBX-UONOGXRCSA-N 1 1 322.409 2.379 20 5 DEBDMO COCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000602822745 360572428 /nfs/dbraw/zinc/57/24/28/360572428.db2.gz AHBYOHYPFIYIHL-TZMCWYRMSA-N 1 1 310.398 2.237 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000602900971 360616989 /nfs/dbraw/zinc/61/69/89/360616989.db2.gz PVCCEMNJNQBXCJ-LSDHHAIUSA-N 1 1 322.409 2.381 20 5 DEBDMO CSCCC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000281251872 216186312 /nfs/dbraw/zinc/18/63/12/216186312.db2.gz DTIVYWJWYJCIPG-UHFFFAOYSA-N 1 1 311.407 2.243 20 5 DEBDMO CSCCC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000281251872 216186315 /nfs/dbraw/zinc/18/63/15/216186315.db2.gz DTIVYWJWYJCIPG-UHFFFAOYSA-N 1 1 311.407 2.243 20 5 DEBDMO CCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000604436048 360906262 /nfs/dbraw/zinc/90/62/62/360906262.db2.gz XWEHZIAIRUZAGT-DOMZBBRYSA-N 1 1 321.377 2.423 20 5 DEBDMO CCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000604436048 360906267 /nfs/dbraw/zinc/90/62/67/360906267.db2.gz XWEHZIAIRUZAGT-DOMZBBRYSA-N 1 1 321.377 2.423 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC000271900891 209309484 /nfs/dbraw/zinc/30/94/84/209309484.db2.gz PYKZUUIPRSMWOR-UHFFFAOYSA-N 1 1 321.402 2.308 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000610514524 361413409 /nfs/dbraw/zinc/41/34/09/361413409.db2.gz LKJRTHDVEOPDQB-AWEZNQCLSA-N 1 1 305.378 2.204 20 5 DEBDMO COC[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610605314 361430739 /nfs/dbraw/zinc/43/07/39/361430739.db2.gz XIBPZAUUNDXDBM-ZDUSSCGKSA-N 1 1 308.334 2.072 20 5 DEBDMO COC[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610605314 361430741 /nfs/dbraw/zinc/43/07/41/361430741.db2.gz XIBPZAUUNDXDBM-ZDUSSCGKSA-N 1 1 308.334 2.072 20 5 DEBDMO COC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000610615478 361432033 /nfs/dbraw/zinc/43/20/33/361432033.db2.gz FDVYXUMGMJWBJA-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO CCO[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610930489 361493783 /nfs/dbraw/zinc/49/37/83/361493783.db2.gz VNNMQPKKXVEKMQ-ZDUSSCGKSA-N 1 1 322.361 2.367 20 5 DEBDMO CCO[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610930489 361493786 /nfs/dbraw/zinc/49/37/86/361493786.db2.gz VNNMQPKKXVEKMQ-ZDUSSCGKSA-N 1 1 322.361 2.367 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000611093325 361526194 /nfs/dbraw/zinc/52/61/94/361526194.db2.gz ZFMDKDFIYAVCGO-NSHDSACASA-N 1 1 322.365 2.161 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1C ZINC000611197257 361546133 /nfs/dbraw/zinc/54/61/33/361546133.db2.gz GKOSKRHZXCTZRK-LLVKDONJSA-N 1 1 316.361 2.242 20 5 DEBDMO CCOC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611275713 361569524 /nfs/dbraw/zinc/56/95/24/361569524.db2.gz DXDFTLREALCFFS-GFCCVEGCSA-N 1 1 322.361 2.224 20 5 DEBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000611204563 361547747 /nfs/dbraw/zinc/54/77/47/361547747.db2.gz VZRZBOSLSWBSAX-OLZOCXBDSA-N 1 1 324.450 2.119 20 5 DEBDMO C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000611414303 361595845 /nfs/dbraw/zinc/59/58/45/361595845.db2.gz QZIIWCMKGJPOAZ-OLZOCXBDSA-N 1 1 324.450 2.119 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000619578387 363832909 /nfs/dbraw/zinc/83/29/09/363832909.db2.gz HCXGYACJXOCQMP-ZDUSSCGKSA-N 1 1 305.378 2.460 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000619745788 363870321 /nfs/dbraw/zinc/87/03/21/363870321.db2.gz PVPQRDZMDTWBSF-GFCCVEGCSA-N 1 1 311.407 2.205 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000275485767 212364778 /nfs/dbraw/zinc/36/47/78/212364778.db2.gz FHUSFJZDBOAEII-UONOGXRCSA-N 1 1 321.421 2.433 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000091894848 193122622 /nfs/dbraw/zinc/12/26/22/193122622.db2.gz PHUBUNSDTFIZGZ-HWKANZROSA-N 1 1 318.373 2.489 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCOC2(CCOCC2)C1 ZINC000091894848 193122624 /nfs/dbraw/zinc/12/26/24/193122624.db2.gz PHUBUNSDTFIZGZ-HWKANZROSA-N 1 1 318.373 2.489 20 5 DEBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](CO)C2)c1 ZINC000293061130 223377416 /nfs/dbraw/zinc/37/74/16/223377416.db2.gz LCYSVGMJZFPKPR-VIFPVBQESA-N 1 1 304.268 2.428 20 5 DEBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](CO)C2)c1 ZINC000293061130 223377418 /nfs/dbraw/zinc/37/74/18/223377418.db2.gz LCYSVGMJZFPKPR-VIFPVBQESA-N 1 1 304.268 2.428 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCn3cncn3)C2)cc1 ZINC000451542798 243089002 /nfs/dbraw/zinc/08/90/02/243089002.db2.gz AFPURDMKWWWKEZ-AWEZNQCLSA-N 1 1 301.350 2.066 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCn3cncn3)C2)cc1 ZINC000451542800 243092295 /nfs/dbraw/zinc/09/22/95/243092295.db2.gz AFPURDMKWWWKEZ-CQSZACIVSA-N 1 1 301.350 2.066 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H]3COCCO3)C2)cc1 ZINC000451549258 243100258 /nfs/dbraw/zinc/10/02/58/243100258.db2.gz PKLRSKBARHHRTA-ZBFHGGJFSA-N 1 1 306.362 2.190 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451703296 243333690 /nfs/dbraw/zinc/33/36/90/243333690.db2.gz JHKVRMYPHYDKKK-KFWWJZLASA-N 1 1 320.389 2.457 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093664329 193286057 /nfs/dbraw/zinc/28/60/57/193286057.db2.gz CXQUGOFSKRFAGJ-INIZCTEOSA-N 1 1 319.405 2.057 20 5 DEBDMO Cc1ccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093664329 193286059 /nfs/dbraw/zinc/28/60/59/193286059.db2.gz CXQUGOFSKRFAGJ-INIZCTEOSA-N 1 1 319.405 2.057 20 5 DEBDMO Cc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000453267806 245037021 /nfs/dbraw/zinc/03/70/21/245037021.db2.gz YWQBWQSWPHRHBP-GDBMZVCRSA-N 1 1 321.421 2.401 20 5 DEBDMO Cc1ccc([C@@H](C)NC[C@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000453267806 245037028 /nfs/dbraw/zinc/03/70/28/245037028.db2.gz YWQBWQSWPHRHBP-GDBMZVCRSA-N 1 1 321.421 2.401 20 5 DEBDMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264999791 204334544 /nfs/dbraw/zinc/33/45/44/204334544.db2.gz DQSZPCLBGLDFGB-GJZGRUSLSA-N 1 1 321.377 2.159 20 5 DEBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264999791 204334549 /nfs/dbraw/zinc/33/45/49/204334549.db2.gz DQSZPCLBGLDFGB-GJZGRUSLSA-N 1 1 321.377 2.159 20 5 DEBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000282505969 217048773 /nfs/dbraw/zinc/04/87/73/217048773.db2.gz OBLINMASHRIBJU-INIZCTEOSA-N 1 1 317.389 2.223 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266083624 205084596 /nfs/dbraw/zinc/08/45/96/205084596.db2.gz DSUVZMPCQIKQFQ-OAHLLOKOSA-N 1 1 305.378 2.128 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000266201368 205178759 /nfs/dbraw/zinc/17/87/59/205178759.db2.gz JMIZYYYHYXUIBX-LLVKDONJSA-N 1 1 308.338 2.281 20 5 DEBDMO COc1cc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000160258303 197395981 /nfs/dbraw/zinc/39/59/81/197395981.db2.gz DIMDMQUULGWHIX-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000456393516 247154983 /nfs/dbraw/zinc/15/49/83/247154983.db2.gz YABLTEFCMKQDNK-CQSZACIVSA-N 1 1 305.378 2.080 20 5 DEBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3nonc32)C[N@H+]1C1CC1 ZINC000267868960 206312073 /nfs/dbraw/zinc/31/20/73/206312073.db2.gz LDJYYGYXXVBNSJ-DTWKUNHWSA-N 1 1 303.322 2.168 20 5 DEBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3nonc32)C[N@H+]1C1CC1 ZINC000267868961 206312635 /nfs/dbraw/zinc/31/26/35/206312635.db2.gz LDJYYGYXXVBNSJ-IUCAKERBSA-N 1 1 303.322 2.168 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000492840205 249152096 /nfs/dbraw/zinc/15/20/96/249152096.db2.gz MRRMAWLHOUTPSA-KEGWNNHHSA-N 1 1 315.373 2.162 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493274018 249267248 /nfs/dbraw/zinc/26/72/48/249267248.db2.gz RLBIELMIOCXUOJ-VSKVDJIOSA-N 1 1 321.352 2.300 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493536250 249318497 /nfs/dbraw/zinc/31/84/97/249318497.db2.gz ZSTAODZYIXYVAJ-DEBLGDTFSA-N 1 1 303.362 2.161 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000105347719 194099219 /nfs/dbraw/zinc/09/92/19/194099219.db2.gz JSJJJJYXWBDXBB-UHFFFAOYSA-N 1 1 306.366 2.463 20 5 DEBDMO C[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000057717942 184049933 /nfs/dbraw/zinc/04/99/33/184049933.db2.gz GBESNQZFSJRAIH-DJTWPOEFSA-N 1 1 303.362 2.207 20 5 DEBDMO C[C@@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057718131 184050011 /nfs/dbraw/zinc/05/00/11/184050011.db2.gz OAMVIMIYKCCNFK-PMDBQALLSA-N 1 1 303.362 2.207 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000066187910 184395676 /nfs/dbraw/zinc/39/56/76/184395676.db2.gz SAYHXYQCNLBBQC-CYBMUJFWSA-N 1 1 322.409 2.167 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCCN1CCOCC1)C1CC1 ZINC000135241339 207356873 /nfs/dbraw/zinc/35/68/73/207356873.db2.gz XBZRMDCHJMDVOR-UHFFFAOYSA-N 1 1 319.405 2.282 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000270222633 208287232 /nfs/dbraw/zinc/28/72/32/208287232.db2.gz ZELGMRWSPYDXMV-LALPHHSUSA-N 1 1 321.377 2.015 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000157260591 197174215 /nfs/dbraw/zinc/17/42/15/197174215.db2.gz SNDCKYJXGBDEBB-ABAIWWIYSA-N 1 1 321.352 2.290 20 5 DEBDMO Cc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000155217051 197032986 /nfs/dbraw/zinc/03/29/86/197032986.db2.gz NYPYGYALMUMAOU-XJKSGUPXSA-N 1 1 317.389 2.460 20 5 DEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCOC(C)(C)C1 ZINC000289696356 221161318 /nfs/dbraw/zinc/16/13/18/221161318.db2.gz HDBPWOPSSPENML-CYBMUJFWSA-N 1 1 323.393 2.036 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000340696302 132161115 /nfs/dbraw/zinc/16/11/15/132161115.db2.gz LGZXXOYEBRJONC-QWHCGFSZSA-N 1 1 319.405 2.471 20 5 DEBDMO COC(=O)COc1ccc(C[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000355582104 133035057 /nfs/dbraw/zinc/03/50/57/133035057.db2.gz JWOGJEXHUXKACU-UHFFFAOYSA-N 1 1 310.350 2.234 20 5 DEBDMO Cc1[nH+]ccn1CCCCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000355588833 133035886 /nfs/dbraw/zinc/03/58/86/133035886.db2.gz UFRRTTCRNPKCCV-UHFFFAOYSA-N 1 1 310.741 2.395 20 5 DEBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000356185963 133070902 /nfs/dbraw/zinc/07/09/02/133070902.db2.gz AZAYGQHNTKMYFR-UHFFFAOYSA-N 1 1 319.361 2.001 20 5 DEBDMO CCOC(=O)c1c[nH+]ccc1NCCc1cccc([N+](=O)[O-])c1 ZINC000359587315 133132546 /nfs/dbraw/zinc/13/25/46/133132546.db2.gz HIAXZJUTHSHDRL-UHFFFAOYSA-N 1 1 315.329 2.243 20 5 DEBDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCCC2 ZINC000372720804 133363432 /nfs/dbraw/zinc/36/34/32/133363432.db2.gz ZFAPSAZEYKWWBY-KBPBESRZSA-N 1 1 322.409 2.498 20 5 DEBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCCC2 ZINC000372720804 133363433 /nfs/dbraw/zinc/36/34/33/133363433.db2.gz ZFAPSAZEYKWWBY-KBPBESRZSA-N 1 1 322.409 2.498 20 5 DEBDMO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000246685198 145110949 /nfs/dbraw/zinc/11/09/49/145110949.db2.gz JAJCIGWDAACMIR-ZIAGYGMSSA-N 1 1 319.405 2.374 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(OCCC[NH3+])CC1 ZINC000316480399 145363087 /nfs/dbraw/zinc/36/30/87/145363087.db2.gz RZGPTYADODROBU-CYBMUJFWSA-N 1 1 307.394 2.486 20 5 DEBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346165070 146028851 /nfs/dbraw/zinc/02/88/51/146028851.db2.gz DRTMVBCWGGBYPS-DMDPSCGWSA-N 1 1 323.418 2.459 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000346759110 146138245 /nfs/dbraw/zinc/13/82/45/146138245.db2.gz AMPOVALOPKMXJO-VXGBXAGGSA-N 1 1 321.377 2.158 20 5 DEBDMO C[C@H](C(=O)NCC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000348011023 146211407 /nfs/dbraw/zinc/21/14/07/146211407.db2.gz KNVSPHDEKJQETL-JTQLQIEISA-N 1 1 309.341 2.048 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1COC[C@@H]1O ZINC000348639868 146293801 /nfs/dbraw/zinc/29/38/01/146293801.db2.gz ZVOMDEAFJMRPKN-GJZGRUSLSA-N 1 1 318.329 2.046 20 5 DEBDMO C[N@H+]1CC[C@@](O)(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000358307735 147109958 /nfs/dbraw/zinc/10/99/58/147109958.db2.gz OFWTWLAYAAGGNS-GFCCVEGCSA-N 1 1 319.283 2.092 20 5 DEBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358407263 147127677 /nfs/dbraw/zinc/12/76/77/147127677.db2.gz FTNXCVNZBHHRMM-IAQYHMDHSA-N 1 1 323.368 2.121 20 5 DEBDMO CC(C)OC[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000372160370 148176526 /nfs/dbraw/zinc/17/65/26/148176526.db2.gz LNKTZVJVKDQZKG-MRXNPFEDSA-N 1 1 308.378 2.263 20 5 DEBDMO CC(C)OC[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000372160370 148176527 /nfs/dbraw/zinc/17/65/27/148176527.db2.gz LNKTZVJVKDQZKG-MRXNPFEDSA-N 1 1 308.378 2.263 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000374882100 148300832 /nfs/dbraw/zinc/30/08/32/148300832.db2.gz PJNDUMSHZATFGX-IUODEOHRSA-N 1 1 303.362 2.069 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000112447017 401746001 /nfs/dbraw/zinc/74/60/01/401746001.db2.gz PLFGDQRWQZEBPX-UHFFFAOYSA-N 1 1 308.382 2.126 20 5 DEBDMO CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000072595131 401711311 /nfs/dbraw/zinc/71/13/11/401711311.db2.gz BUIHCAICNMQNFF-ZDUSSCGKSA-N 1 1 321.377 2.208 20 5 DEBDMO Cc1cccc(N(C)CC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000338704937 404488651 /nfs/dbraw/zinc/48/86/51/404488651.db2.gz CKSDNAALZOHMNH-ZIAGYGMSSA-N 1 1 307.394 2.449 20 5 DEBDMO CC[N@@H+](CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(C)C ZINC000112928517 401761605 /nfs/dbraw/zinc/76/16/05/401761605.db2.gz XKGHZPWLOYQUNP-CMDGGOBGSA-N 1 1 305.378 2.455 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000566139201 292209449 /nfs/dbraw/zinc/20/94/49/292209449.db2.gz KAFDXBLJJJDFDK-CYBMUJFWSA-N 1 1 323.393 2.008 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000566139202 292209471 /nfs/dbraw/zinc/20/94/71/292209471.db2.gz KAFDXBLJJJDFDK-ZDUSSCGKSA-N 1 1 323.393 2.008 20 5 DEBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000026156635 401839178 /nfs/dbraw/zinc/83/91/78/401839178.db2.gz JDUPWNTZVCDFMG-TXEJJXNPSA-N 1 1 307.350 2.033 20 5 DEBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135336823 401936284 /nfs/dbraw/zinc/93/62/84/401936284.db2.gz GVYUJHKMLYGCDF-QEJZJMRPSA-N 1 1 310.398 2.053 20 5 DEBDMO Cc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000093277858 402012650 /nfs/dbraw/zinc/01/26/50/402012650.db2.gz RHYHPZIKLGOVBM-HNNXBMFYSA-N 1 1 317.389 2.490 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000093277858 402012653 /nfs/dbraw/zinc/01/26/53/402012653.db2.gz RHYHPZIKLGOVBM-HNNXBMFYSA-N 1 1 317.389 2.490 20 5 DEBDMO CCOC(=O)[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051202398 402032869 /nfs/dbraw/zinc/03/28/69/402032869.db2.gz BQMHOLRMSXBDPX-ZDUSSCGKSA-N 1 1 322.361 2.249 20 5 DEBDMO COc1ccc(OCC[N@H+]2[C@H](C)CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000122351536 402074768 /nfs/dbraw/zinc/07/47/68/402074768.db2.gz GZHGLGVAARIOQI-OLZOCXBDSA-N 1 1 324.377 2.218 20 5 DEBDMO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1C ZINC000122604437 402086650 /nfs/dbraw/zinc/08/66/50/402086650.db2.gz BJJYOGGPITWKGN-STQMWFEESA-N 1 1 317.389 2.462 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000066124420 402128773 /nfs/dbraw/zinc/12/87/73/402128773.db2.gz DTORSGAMZNWTES-LLVKDONJSA-N 1 1 309.366 2.064 20 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/nfs/dbraw/zinc/33/15/90/402331590.db2.gz MCYBWGSDPHOAIG-UHFFFAOYSA-N 1 1 312.391 2.169 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000161845835 402401439 /nfs/dbraw/zinc/40/14/39/402401439.db2.gz CDKCHTKMWBZOOS-CYBMUJFWSA-N 1 1 305.378 2.303 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000178152947 402465822 /nfs/dbraw/zinc/46/58/22/402465822.db2.gz KHIGMBAUVYOIKE-ZDUSSCGKSA-N 1 1 308.382 2.067 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000178566697 402512808 /nfs/dbraw/zinc/51/28/08/402512808.db2.gz MRSKEIQGBKQQDE-PWSUYJOCSA-N 1 1 309.391 2.213 20 5 DEBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000245931760 402499116 /nfs/dbraw/zinc/49/91/16/402499116.db2.gz PJQNEOBBMOFFHJ-WBMJQRKESA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000245931760 402499117 /nfs/dbraw/zinc/49/91/17/402499117.db2.gz PJQNEOBBMOFFHJ-WBMJQRKESA-N 1 1 321.377 2.077 20 5 DEBDMO CC(C)(C)c1ccc(C(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000190302347 402591322 /nfs/dbraw/zinc/59/13/22/402591322.db2.gz ZSQBPHPTBDXJPR-UHFFFAOYSA-N 1 1 315.320 2.216 20 5 DEBDMO C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248643454 402601264 /nfs/dbraw/zinc/60/12/64/402601264.db2.gz ZOZSJKUZMKKQDR-NWDGAFQWSA-N 1 1 314.349 2.027 20 5 DEBDMO C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248643454 402601268 /nfs/dbraw/zinc/60/12/68/402601268.db2.gz ZOZSJKUZMKKQDR-NWDGAFQWSA-N 1 1 314.349 2.027 20 5 DEBDMO C[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000179158950 402577042 /nfs/dbraw/zinc/57/70/42/402577042.db2.gz CBADLFUDDBVCEX-NWDGAFQWSA-N 1 1 323.418 2.209 20 5 DEBDMO Cc1occc1C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182221223 402673410 /nfs/dbraw/zinc/67/34/10/402673410.db2.gz TWVQAOMXYQMMTN-CQSZACIVSA-N 1 1 320.345 2.368 20 5 DEBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000255276292 402682712 /nfs/dbraw/zinc/68/27/12/402682712.db2.gz HAWDEXGXTJYWAI-RDIZVCBXSA-N 1 1 317.389 2.453 20 5 DEBDMO CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000255568199 402691269 /nfs/dbraw/zinc/69/12/69/402691269.db2.gz YMKHTTIILQEAFI-XMELGKRDSA-N 1 1 303.362 2.161 20 5 DEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000193590681 402773332 /nfs/dbraw/zinc/77/33/32/402773332.db2.gz RBRGHTCOHXVGTR-LLVKDONJSA-N 1 1 302.334 2.166 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000175223840 402789531 /nfs/dbraw/zinc/78/95/31/402789531.db2.gz KPDOVTYXFMQIRA-NNQSOWQGSA-N 1 1 306.362 2.481 20 5 DEBDMO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC1CC1 ZINC000263818876 402808777 /nfs/dbraw/zinc/80/87/77/402808777.db2.gz PKJPKJPWCAJOSI-UHFFFAOYSA-N 1 1 315.329 2.223 20 5 DEBDMO CC(C)COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000184172432 402824133 /nfs/dbraw/zinc/82/41/33/402824133.db2.gz ILZQYOQPJHZKKM-CQSZACIVSA-N 1 1 322.365 2.388 20 5 DEBDMO CC1(C)C[N@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CCO1 ZINC000278176179 402861389 /nfs/dbraw/zinc/86/13/89/402861389.db2.gz CXNXPOBWKGETQF-UHFFFAOYSA-N 1 1 320.393 2.086 20 5 DEBDMO CC1(C)C[N@@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CCO1 ZINC000278176179 402861390 /nfs/dbraw/zinc/86/13/90/402861390.db2.gz CXNXPOBWKGETQF-UHFFFAOYSA-N 1 1 320.393 2.086 20 5 DEBDMO COc1cccc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278847785 402877552 /nfs/dbraw/zinc/87/75/52/402877552.db2.gz LLTOERUXYRYZOA-BETUJISGSA-N 1 1 323.393 2.149 20 5 DEBDMO COc1cccc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278847785 402877554 /nfs/dbraw/zinc/87/75/54/402877554.db2.gz LLTOERUXYRYZOA-BETUJISGSA-N 1 1 323.393 2.149 20 5 DEBDMO COC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000265833301 402954888 /nfs/dbraw/zinc/95/48/88/402954888.db2.gz USVKUGJNGQAMCO-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000279363216 402934946 /nfs/dbraw/zinc/93/49/46/402934946.db2.gz RDPUWXIJGIKGNK-LRDDRELGSA-N 1 1 321.377 2.423 20 5 DEBDMO CO[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000279363216 402934949 /nfs/dbraw/zinc/93/49/49/402934949.db2.gz RDPUWXIJGIKGNK-LRDDRELGSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H](CO)[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000280361330 402992221 /nfs/dbraw/zinc/99/22/21/402992221.db2.gz JUANGLSWXLZJDM-BLLLJJGKSA-N 1 1 308.378 2.111 20 5 DEBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267066299 403012358 /nfs/dbraw/zinc/01/23/58/403012358.db2.gz JRNHBFNECZHGNS-CYBMUJFWSA-N 1 1 318.377 2.363 20 5 DEBDMO Cc1nnc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000273564038 403015779 /nfs/dbraw/zinc/01/57/79/403015779.db2.gz DVKPGOLLEJUKKV-UFBFGSQYSA-N 1 1 308.363 2.139 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c(F)c1 ZINC000273096954 402970992 /nfs/dbraw/zinc/97/09/92/402970992.db2.gz UWBQMPBHKFUOKZ-UHFFFAOYSA-N 1 1 324.352 2.363 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)c(F)c1 ZINC000273096954 402970993 /nfs/dbraw/zinc/97/09/93/402970993.db2.gz UWBQMPBHKFUOKZ-UHFFFAOYSA-N 1 1 324.352 2.363 20 5 DEBDMO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280250539 402979717 /nfs/dbraw/zinc/97/97/17/402979717.db2.gz BKLYPTIMKLPJMQ-QGZVFWFLSA-N 1 1 320.389 2.407 20 5 DEBDMO C[N@H+]1CCN(CCNc2cccc(F)c2[N+](=O)[O-])CC1(C)C ZINC000281682500 403081677 /nfs/dbraw/zinc/08/16/77/403081677.db2.gz QZIHLMJSPHHQRX-UHFFFAOYSA-N 1 1 310.373 2.172 20 5 DEBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275633031 403110883 /nfs/dbraw/zinc/11/08/83/403110883.db2.gz BQABUNXROHKAIQ-NEPJUHHUSA-N 1 1 303.366 2.395 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000275845856 403127976 /nfs/dbraw/zinc/12/79/76/403127976.db2.gz QUDMVYVYRSHEFR-CYBMUJFWSA-N 1 1 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C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCNC1=O ZINC000355185367 404267116 /nfs/dbraw/zinc/26/71/16/404267116.db2.gz IILVYGKKLXQYLA-AWEZNQCLSA-N 1 1 315.329 2.175 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCNC1=O ZINC000355185367 404267126 /nfs/dbraw/zinc/26/71/26/404267126.db2.gz IILVYGKKLXQYLA-AWEZNQCLSA-N 1 1 315.329 2.175 20 5 DEBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000290785709 404311627 /nfs/dbraw/zinc/31/16/27/404311627.db2.gz NPYRDVBHRUUPJN-HOCLYGCPSA-N 1 1 320.389 2.455 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356007808 404386539 /nfs/dbraw/zinc/38/65/39/404386539.db2.gz HYMRTLPZOAAPFD-UHFFFAOYSA-N 1 1 309.366 2.065 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000338551240 404399618 /nfs/dbraw/zinc/39/96/18/404399618.db2.gz PIQAGFZFGJZPTQ-NEPJUHHUSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000338551240 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2.343 20 5 DEBDMO COc1c(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000356812766 404698847 /nfs/dbraw/zinc/69/88/47/404698847.db2.gz LOZQDHZKEPXMOU-LBPRGKRZSA-N 1 1 321.377 2.206 20 5 DEBDMO C[C@H]1C[N@@H+](C)C[C@@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000361007973 404876604 /nfs/dbraw/zinc/87/66/04/404876604.db2.gz CMSZMVZUTXXOBA-JQWIXIFHSA-N 1 1 302.334 2.234 20 5 DEBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424373066 405077794 /nfs/dbraw/zinc/07/77/94/405077794.db2.gz XIBBCLGMAPXCOC-NILFDRSVSA-N 1 1 320.393 2.171 20 5 DEBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424373066 405077804 /nfs/dbraw/zinc/07/78/04/405077804.db2.gz XIBBCLGMAPXCOC-NILFDRSVSA-N 1 1 320.393 2.171 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CCCO)C1 ZINC000452133690 405190999 /nfs/dbraw/zinc/19/09/99/405190999.db2.gz SMJVDLNDTYJPEU-OLZOCXBDSA-N 1 1 321.377 2.016 20 5 DEBDMO COCC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425406266 405285566 /nfs/dbraw/zinc/28/55/66/405285566.db2.gz MITYIDTZRPZNPT-UHFFFAOYSA-N 1 1 303.156 2.436 20 5 DEBDMO COCC[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425406266 405285567 /nfs/dbraw/zinc/28/55/67/405285567.db2.gz MITYIDTZRPZNPT-UHFFFAOYSA-N 1 1 303.156 2.436 20 5 DEBDMO CC(C)(O)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444684281 405341525 /nfs/dbraw/zinc/34/15/25/405341525.db2.gz JEJMAWAPBQTYFI-UHFFFAOYSA-N 1 1 304.350 2.206 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1NC[C@H]1CC[NH2+]CC1(F)F)CCN2 ZINC000420281540 405306369 /nfs/dbraw/zinc/30/63/69/405306369.db2.gz MFKCHDORDHGPMW-SECBINFHSA-N 1 1 312.320 2.220 20 5 DEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+]1C1CC1 ZINC000427187537 405394089 /nfs/dbraw/zinc/39/40/89/405394089.db2.gz RKDJQTKWLBPHLZ-AWEZNQCLSA-N 1 1 323.780 2.491 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])o1)CCC(F)(F)F ZINC000427222683 405395918 /nfs/dbraw/zinc/39/59/18/405395918.db2.gz BEESEUYHZHLFJV-UHFFFAOYSA-N 1 1 323.271 2.192 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420638876 405366022 /nfs/dbraw/zinc/36/60/22/405366022.db2.gz PMGUQKDXJSYTEU-LLVKDONJSA-N 1 1 308.382 2.226 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CC(C)(C)O)C1CC1 ZINC000426732235 405376565 /nfs/dbraw/zinc/37/65/65/405376565.db2.gz SHISJWRBCNEHKD-UHFFFAOYSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CC(C)(C)O)C1CC1 ZINC000426732235 405376567 /nfs/dbraw/zinc/37/65/67/405376567.db2.gz SHISJWRBCNEHKD-UHFFFAOYSA-N 1 1 321.377 2.077 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429868858 405453877 /nfs/dbraw/zinc/45/38/77/405453877.db2.gz OYXGBISUQSRIHQ-CYBMUJFWSA-N 1 1 319.405 2.330 20 5 DEBDMO Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000556966457 405564013 /nfs/dbraw/zinc/56/40/13/405564013.db2.gz ZXMFHNVAOOAPSN-UONOGXRCSA-N 1 1 303.362 2.212 20 5 DEBDMO CSc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000421699508 405593637 /nfs/dbraw/zinc/59/36/37/405593637.db2.gz BKQVYWMIJMPDKS-GFCCVEGCSA-N 1 1 323.418 2.483 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000421772933 405640113 /nfs/dbraw/zinc/64/01/13/405640113.db2.gz HVEJRBJGHHNILV-OLZOCXBDSA-N 1 1 305.378 2.424 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000457106167 405702549 /nfs/dbraw/zinc/70/25/49/405702549.db2.gz CZRVNYHBVKXODP-GFCCVEGCSA-N 1 1 309.341 2.289 20 5 DEBDMO COc1c(C(=O)NCCCC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000457164313 405731603 /nfs/dbraw/zinc/73/16/03/405731603.db2.gz IPZPFUQBQIQROA-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000459258352 405823099 /nfs/dbraw/zinc/82/30/99/405823099.db2.gz JQXMZMANIPPKGW-GFCCVEGCSA-N 1 1 306.366 2.448 20 5 DEBDMO C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000601600387 405900255 /nfs/dbraw/zinc/90/02/55/405900255.db2.gz CEMBLZJXSZSQTJ-LLVKDONJSA-N 1 1 321.352 2.290 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CCCC2(C)C)n1 ZINC000450947508 405996994 /nfs/dbraw/zinc/99/69/94/405996994.db2.gz CCDYKGRQWXQXGK-UHFFFAOYSA-N 1 1 322.365 2.063 20 5 DEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000520365985 406286311 /nfs/dbraw/zinc/28/63/11/406286311.db2.gz JSIIPYSLTDCNSV-LBPRGKRZSA-N 1 1 322.409 2.174 20 5 DEBDMO CO[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000488516686 406326807 /nfs/dbraw/zinc/32/68/07/406326807.db2.gz BZQUWFLOZJASKN-WOVASVFFSA-N 1 1 306.362 2.344 20 5 DEBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@H]1C ZINC000489461630 406408877 /nfs/dbraw/zinc/40/88/77/406408877.db2.gz WMJPIQMTAKVECV-BBRMVZONSA-N 1 1 308.378 2.263 20 5 DEBDMO Cc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000571086388 406477374 /nfs/dbraw/zinc/47/73/74/406477374.db2.gz VJFGYELAEWEZKH-UHFFFAOYSA-N 1 1 313.361 2.015 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000547760507 406443259 /nfs/dbraw/zinc/44/32/59/406443259.db2.gz GXFBLKYGANQMFB-JTQLQIEISA-N 1 1 310.329 2.197 20 5 DEBDMO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@H]2C1 ZINC000491545399 406616693 /nfs/dbraw/zinc/61/66/93/406616693.db2.gz IOEZGVASOLVKTE-SDQPKGBYSA-N 1 1 319.336 2.054 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000132221850 196235828 /nfs/dbraw/zinc/23/58/28/196235828.db2.gz IGCUAXLJKOQGFW-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000132221850 196235829 /nfs/dbraw/zinc/23/58/29/196235829.db2.gz IGCUAXLJKOQGFW-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000134490059 196396639 /nfs/dbraw/zinc/39/66/39/196396639.db2.gz YVGRAVXEQPXPBB-ONGXEEELSA-N 1 1 307.325 2.089 20 5 DEBDMO C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[N@H+]1CCC[C@@H](C)C1 ZINC000301910581 229975365 /nfs/dbraw/zinc/97/53/65/229975365.db2.gz GESZDCNUJXYRAL-VXGBXAGGSA-N 1 1 318.381 2.170 20 5 DEBDMO C[C@@H]1C[C@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422625626 230157996 /nfs/dbraw/zinc/15/79/96/230157996.db2.gz CAWYXEWKIYOTJX-RDBSUJKOSA-N 1 1 307.394 2.279 20 5 DEBDMO C[C@@H]1C[C@H](C)N(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422625626 230158000 /nfs/dbraw/zinc/15/80/00/230158000.db2.gz CAWYXEWKIYOTJX-RDBSUJKOSA-N 1 1 307.394 2.279 20 5 DEBDMO COC1(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000361554614 424845534 /nfs/dbraw/zinc/84/55/34/424845534.db2.gz UOHIOABYUDPXEN-ZDUSSCGKSA-N 1 1 320.393 2.435 20 5 DEBDMO CC[N@@H+](CCNc1ncnc2cccc([N+](=O)[O-])c21)C(C)C ZINC000347402545 425011400 /nfs/dbraw/zinc/01/14/00/425011400.db2.gz HPPVCOGMIZUKBY-UHFFFAOYSA-N 1 1 303.366 2.680 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000343924146 424985191 /nfs/dbraw/zinc/98/51/91/424985191.db2.gz NFZCCOXQUSETRX-GFCCVEGCSA-N 1 1 315.377 2.824 20 5 DEBDMO CC(C)Oc1nc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596337040 425024165 /nfs/dbraw/zinc/02/41/65/425024165.db2.gz SVEZIZOBPRLLRA-GFCCVEGCSA-N 1 1 322.409 3.062 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000363356563 269053083 /nfs/dbraw/zinc/05/30/83/269053083.db2.gz SCAWBEZYEANHCV-LBPRGKRZSA-N 1 1 304.325 2.457 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000363356563 269053085 /nfs/dbraw/zinc/05/30/85/269053085.db2.gz SCAWBEZYEANHCV-LBPRGKRZSA-N 1 1 304.325 2.457 20 5 DEBDMO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000496795006 269252855 /nfs/dbraw/zinc/25/28/55/269252855.db2.gz LSIWQUIJSBRJNG-AWEZNQCLSA-N 1 1 307.350 2.257 20 5 DEBDMO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000496795006 269252856 /nfs/dbraw/zinc/25/28/56/269252856.db2.gz LSIWQUIJSBRJNG-AWEZNQCLSA-N 1 1 307.350 2.257 20 5 DEBDMO C[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514614733 269324834 /nfs/dbraw/zinc/32/48/34/269324834.db2.gz ZLDTWMUCWXGTBL-GFCCVEGCSA-N 1 1 305.378 2.251 20 5 DEBDMO Cn1cc([C@@H](CO)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000278828779 274893586 /nfs/dbraw/zinc/89/35/86/274893586.db2.gz TTYJACUMKNGAIA-HZPDHXFCSA-N 1 1 316.361 2.029 20 5 DEBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000374351953 274897775 /nfs/dbraw/zinc/89/77/75/274897775.db2.gz NROWENVRGQFRKO-SECBINFHSA-N 1 1 318.362 2.031 20 5 DEBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000361576460 276085487 /nfs/dbraw/zinc/08/54/87/276085487.db2.gz HVIKYGCZRITKTN-GFCCVEGCSA-N 1 1 309.366 2.199 20 5 DEBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000361576460 276085488 /nfs/dbraw/zinc/08/54/88/276085488.db2.gz HVIKYGCZRITKTN-GFCCVEGCSA-N 1 1 309.366 2.199 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000346687307 278313423 /nfs/dbraw/zinc/31/34/23/278313423.db2.gz LVKXDODUTZPSRO-MPXAEWJHSA-N 1 1 303.362 2.242 20 5 DEBDMO O=[N+]([O-])c1cccnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161877221 280376431 /nfs/dbraw/zinc/37/64/31/280376431.db2.gz USDIWZHXJDEIHP-TZMCWYRMSA-N 1 1 302.378 2.443 20 5 DEBDMO Cc1cccc(N2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000302485612 281228081 /nfs/dbraw/zinc/22/80/81/281228081.db2.gz HYJNVNMHHCUFBL-UHFFFAOYSA-N 1 1 307.394 2.450 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000278285177 281258618 /nfs/dbraw/zinc/25/86/18/281258618.db2.gz BNHWAAQVKBSFKK-GFCCVEGCSA-N 1 1 303.362 2.283 20 5 DEBDMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000186589762 289483497 /nfs/dbraw/zinc/48/34/97/289483497.db2.gz CAOCWQDSHOCXCG-CABCVRRESA-N 1 1 320.437 2.271 20 5 DEBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001350125401 1151326325 /nfs/dbraw/zinc/32/63/25/1151326325.db2.gz UHHQTYWSAMEGKF-OLZOCXBDSA-N 1 1 322.340 2.482 20 5 DEBDMO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000574130759 326124828 /nfs/dbraw/zinc/12/48/28/326124828.db2.gz SBOITJFKANRKKS-QWHCGFSZSA-N 1 1 317.389 2.465 20 5 DEBDMO C[C@@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000574130758 326124925 /nfs/dbraw/zinc/12/49/25/326124925.db2.gz SBOITJFKANRKKS-OLZOCXBDSA-N 1 1 317.389 2.465 20 5 DEBDMO O=[N+]([O-])c1c(NC[C@H]2CC[N@H+](C3CC3)C2)nc2sccn21 ZINC000037404522 337363382 /nfs/dbraw/zinc/36/33/82/337363382.db2.gz PIAWCCPOOUDBRY-SECBINFHSA-N 1 1 307.379 2.200 20 5 DEBDMO C[N@@H+](CCCOc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000157651938 522788378 /nfs/dbraw/zinc/78/83/78/522788378.db2.gz IVRZADZTBSFJHA-UHFFFAOYSA-N 1 1 304.350 2.192 20 5 DEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000411065707 529289267 /nfs/dbraw/zinc/28/92/67/529289267.db2.gz VTGFQIJGKLOCME-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000411065707 529289271 /nfs/dbraw/zinc/28/92/71/529289271.db2.gz VTGFQIJGKLOCME-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358915976 535562346 /nfs/dbraw/zinc/56/23/46/535562346.db2.gz RCHFDXADMSMQBG-CQSZACIVSA-N 1 1 320.393 2.187 20 5 DEBDMO CN(C(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451550454 535988185 /nfs/dbraw/zinc/98/81/85/535988185.db2.gz RTSKSYUSXJZZLP-CQSZACIVSA-N 1 1 317.389 2.395 20 5 DEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000456374362 536136674 /nfs/dbraw/zinc/13/66/74/536136674.db2.gz JBTVSKIMUPGXPL-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000456374362 536136677 /nfs/dbraw/zinc/13/66/77/536136677.db2.gz JBTVSKIMUPGXPL-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO C[N@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000492822316 536398879 /nfs/dbraw/zinc/39/88/79/536398879.db2.gz IIEYHMNOTBYUNZ-RMKNXTFCSA-N 1 1 303.362 2.161 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000247452027 536471614 /nfs/dbraw/zinc/47/16/14/536471614.db2.gz ZSANCRJDKRDTHS-GOEBONIOSA-N 1 1 317.389 2.080 20 5 DEBDMO CO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000451579648 536751705 /nfs/dbraw/zinc/75/17/05/536751705.db2.gz YTGAVUGMYMXXSR-HZMBPMFUSA-N 1 1 304.350 2.328 20 5 DEBDMO CO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000451579648 536751711 /nfs/dbraw/zinc/75/17/11/536751711.db2.gz YTGAVUGMYMXXSR-HZMBPMFUSA-N 1 1 304.350 2.328 20 5 DEBDMO C[C@@H](NC(=O)NCC[N@H+]1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000892113472 624785640 /nfs/dbraw/zinc/78/56/40/624785640.db2.gz XKOGNHVYZLQBOI-CHWSQXEVSA-N 1 1 320.393 2.439 20 5 DEBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892525374 625098952 /nfs/dbraw/zinc/09/89/52/625098952.db2.gz YIJLDHSMTQSZEN-KBPBESRZSA-N 1 1 321.425 2.419 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N1CCC2(CCC[N@H+]2C)CC1 ZINC000893091406 625105738 /nfs/dbraw/zinc/10/57/38/625105738.db2.gz BKRRPSCUYLHORJ-UHFFFAOYSA-N 1 1 306.366 2.063 20 5 DEBDMO C[C@]12CSC[C@H]1C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000934771796 625106182 /nfs/dbraw/zinc/10/61/82/625106182.db2.gz YRCQZIHFYOXNNH-SNPRPXQTSA-N 1 1 308.403 2.313 20 5 DEBDMO C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000892329822 625126248 /nfs/dbraw/zinc/12/62/48/625126248.db2.gz CYYYEIGQHFJSIS-OLZOCXBDSA-N 1 1 320.393 2.092 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2CO)c1Br ZINC000236513523 625137174 /nfs/dbraw/zinc/13/71/74/625137174.db2.gz NRWDDVLGBUWJFK-SNVBAGLBSA-N 1 1 315.167 2.314 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2CO)c1Br ZINC000236513523 625137175 /nfs/dbraw/zinc/13/71/75/625137175.db2.gz NRWDDVLGBUWJFK-SNVBAGLBSA-N 1 1 315.167 2.314 20 5 DEBDMO COc1c(O)ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000892609244 625191524 /nfs/dbraw/zinc/19/15/24/625191524.db2.gz YYKYKWJKFDJDBV-OLZOCXBDSA-N 1 1 321.377 2.025 20 5 DEBDMO COc1c(O)ccc(C[NH2+]C[C@@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000892650645 625226433 /nfs/dbraw/zinc/22/64/33/625226433.db2.gz OTLBCTAPRRFWTO-GFCCVEGCSA-N 1 1 323.393 2.273 20 5 DEBDMO Cc1ccc(C(=O)OCCC[N@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000893393303 633245292 /nfs/dbraw/zinc/24/52/92/633245292.db2.gz MCJMIKSGIKQTQT-CYBMUJFWSA-N 1 1 322.361 2.171 20 5 DEBDMO COc1ccc(CCC[N@H+](C)Cn2nccc2[N+](=O)[O-])cc1 ZINC000125268555 633517692 /nfs/dbraw/zinc/51/76/92/633517692.db2.gz FQWLYTUXHRBGCT-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO COc1ccc(CCC[N@@H+](C)Cn2nccc2[N+](=O)[O-])cc1 ZINC000125268555 633517694 /nfs/dbraw/zinc/51/76/94/633517694.db2.gz FQWLYTUXHRBGCT-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1Cl ZINC000836790369 650129928 /nfs/dbraw/zinc/12/99/28/650129928.db2.gz LBDGXJZRXXJLDH-HZMBPMFUSA-N 1 1 323.780 2.333 20 5 DEBDMO C/C(=C/C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000836848969 650136273 /nfs/dbraw/zinc/13/62/73/650136273.db2.gz MTAKLEGSAUHQMB-NNRPAZIYSA-N 1 1 315.373 2.161 20 5 DEBDMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000837187299 650172522 /nfs/dbraw/zinc/17/25/22/650172522.db2.gz YTJAVHOHLQZHIP-GFCCVEGCSA-N 1 1 320.393 2.040 20 5 DEBDMO CCC(=O)c1ccc(N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893938180 636069334 /nfs/dbraw/zinc/06/93/34/636069334.db2.gz BWGMCDNYYJWVJH-WFASDCNBSA-N 1 1 303.362 2.328 20 5 DEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000893941587 636070569 /nfs/dbraw/zinc/07/05/69/636070569.db2.gz VGDHDZIMPUMBBY-CABZTGNLSA-N 1 1 313.304 2.337 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000726880731 636480356 /nfs/dbraw/zinc/48/03/56/636480356.db2.gz IPMITYNXBPXZQF-HNNXBMFYSA-N 1 1 306.362 2.365 20 5 DEBDMO Cc1c(CNC(=O)NCC[N@@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000894395618 636995943 /nfs/dbraw/zinc/99/59/43/636995943.db2.gz GRQLXENAXLGDIL-GFCCVEGCSA-N 1 1 320.393 2.044 20 5 DEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000894878429 637283557 /nfs/dbraw/zinc/28/35/57/637283557.db2.gz HSZITFJLWMRQKX-PHIMTYICSA-N 1 1 313.304 2.479 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000895100393 637558534 /nfs/dbraw/zinc/55/85/34/637558534.db2.gz CDTOEFCWQLAXFA-GFCCVEGCSA-N 1 1 309.414 2.286 20 5 DEBDMO CO[C@]1(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCSC1 ZINC000895751191 638180516 /nfs/dbraw/zinc/18/05/16/638180516.db2.gz XIDZPKFZZOAUDV-HNNXBMFYSA-N 1 1 319.386 2.499 20 5 DEBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000744401009 638217318 /nfs/dbraw/zinc/21/73/18/638217318.db2.gz UNJGFVWTJOBIFF-UHFFFAOYSA-N 1 1 302.334 2.345 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000746715120 638372720 /nfs/dbraw/zinc/37/27/20/638372720.db2.gz YGXXDBVINDNLBD-UHFFFAOYSA-N 1 1 314.349 2.274 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000896460615 638534088 /nfs/dbraw/zinc/53/40/88/638534088.db2.gz LZVCUJYWBHCXDN-OLZOCXBDSA-N 1 1 320.393 2.092 20 5 DEBDMO Cc1cn(C[N@@H+](C)CC(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728707542 639292995 /nfs/dbraw/zinc/29/29/95/639292995.db2.gz OHJISNUQSDCBGI-UHFFFAOYSA-N 1 1 318.377 2.401 20 5 DEBDMO Cc1cn(C[N@H+](C)CC(C)C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728707542 639292998 /nfs/dbraw/zinc/29/29/98/639292998.db2.gz OHJISNUQSDCBGI-UHFFFAOYSA-N 1 1 318.377 2.401 20 5 DEBDMO C[N@H+](CC(=O)OCCc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000753954368 639365390 /nfs/dbraw/zinc/36/53/90/639365390.db2.gz ZRNVWMMCYNENLM-CYBMUJFWSA-N 1 1 324.402 2.118 20 5 DEBDMO C[N@@H+](CC(=O)OCCc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000753954368 639365396 /nfs/dbraw/zinc/36/53/96/639365396.db2.gz ZRNVWMMCYNENLM-CYBMUJFWSA-N 1 1 324.402 2.118 20 5 DEBDMO C[C@@H](C(=O)NCC[N@H+]1CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000754420130 639427565 /nfs/dbraw/zinc/42/75/65/639427565.db2.gz WNFONKNEBVYSOO-VXGBXAGGSA-N 1 1 323.368 2.438 20 5 DEBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839637263 639787568 /nfs/dbraw/zinc/78/75/68/639787568.db2.gz WIQKBABAFLGMPP-LLVKDONJSA-N 1 1 311.769 2.158 20 5 DEBDMO C[C@H](C(=O)NCC[N@H+]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000762903779 640481572 /nfs/dbraw/zinc/48/15/72/640481572.db2.gz NPERWSSWALXGDF-STQMWFEESA-N 1 1 305.378 2.299 20 5 DEBDMO Cc1ccc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000929118808 640771244 /nfs/dbraw/zinc/77/12/44/640771244.db2.gz SKADROZYPRNQMT-SMDDNHRTSA-N 1 1 304.350 2.071 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC=CCC2)c1C ZINC000897620440 640875469 /nfs/dbraw/zinc/87/54/69/640875469.db2.gz GDVSCNGVFPZXKF-UHFFFAOYSA-N 1 1 303.362 2.203 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)OCCCn1cc[nH+]c1C ZINC000767519022 640987669 /nfs/dbraw/zinc/98/76/69/640987669.db2.gz SICHXGSNQNWTAY-UHFFFAOYSA-N 1 1 319.317 2.355 20 5 DEBDMO CC[C@@H](C)C[N@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000111165557 641519098 /nfs/dbraw/zinc/51/90/98/641519098.db2.gz GSRZISPWHDJUEN-MRVPVSSYSA-N 1 1 305.176 2.489 20 5 DEBDMO CC[C@@H](C)C[N@@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000111165557 641519103 /nfs/dbraw/zinc/51/91/03/641519103.db2.gz GSRZISPWHDJUEN-MRVPVSSYSA-N 1 1 305.176 2.489 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000771867786 641563577 /nfs/dbraw/zinc/56/35/77/641563577.db2.gz JEWDRSHAZSGEOM-DAXSKMNVSA-N 1 1 301.302 2.356 20 5 DEBDMO COC(=O)C[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582553 642188326 /nfs/dbraw/zinc/18/83/26/642188326.db2.gz VFGONLZDQNAQSB-CABCVRRESA-N 1 1 322.361 2.046 20 5 DEBDMO CC(C)C[C@H]1COCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584304 642188404 /nfs/dbraw/zinc/18/84/04/642188404.db2.gz KLKMJGNHFOMQDA-JKSUJKDBSA-N 1 1 308.378 2.375 20 5 DEBDMO CC(C)C[C@H]1COCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584304 642188408 /nfs/dbraw/zinc/18/84/08/642188408.db2.gz KLKMJGNHFOMQDA-JKSUJKDBSA-N 1 1 308.378 2.375 20 5 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C[N@H+]1CCC[C@H](CCNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000840339912 647274416 /nfs/dbraw/zinc/27/44/16/647274416.db2.gz LXNIMSMAEGXMCH-GFCCVEGCSA-N 1 1 303.366 2.386 20 5 DEBDMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cn2cc[nH+]c12 ZINC000818050945 647413878 /nfs/dbraw/zinc/41/38/78/647413878.db2.gz XLBASFCXFQJANP-UHFFFAOYSA-N 1 1 311.301 2.385 20 5 DEBDMO O=[N+]([O-])c1c(NC[C@@H]2CC[N@H+](C3CC3)C2)nc2ccccn21 ZINC000915211513 647495230 /nfs/dbraw/zinc/49/52/30/647495230.db2.gz XKDLGOVAJGVXAG-NSHDSACASA-N 1 1 301.350 2.139 20 5 DEBDMO C[C@H](C[NH+]1CCCCC1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818953549 647547681 /nfs/dbraw/zinc/54/76/81/647547681.db2.gz KOFWSAUNLBIGTD-CJNGLKHVSA-N 1 1 307.394 2.092 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000818977723 647555636 /nfs/dbraw/zinc/55/56/36/647555636.db2.gz KMWFIXZABDAUIQ-NSHDSACASA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000818977723 647555641 /nfs/dbraw/zinc/55/56/41/647555641.db2.gz KMWFIXZABDAUIQ-NSHDSACASA-N 1 1 311.769 2.414 20 5 DEBDMO C[NH+](C)CC1(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000819226610 647612533 /nfs/dbraw/zinc/61/25/33/647612533.db2.gz HBOJLPCRYRBGDS-INIZCTEOSA-N 1 1 321.421 2.340 20 5 DEBDMO CN(C)CC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000819226610 647612537 /nfs/dbraw/zinc/61/25/37/647612537.db2.gz HBOJLPCRYRBGDS-INIZCTEOSA-N 1 1 321.421 2.340 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819325080 647635758 /nfs/dbraw/zinc/63/57/58/647635758.db2.gz XGHUHRFWFQSVLK-CJNGLKHVSA-N 1 1 309.410 2.338 20 5 DEBDMO CCCN(CC)C[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819325080 647635761 /nfs/dbraw/zinc/63/57/61/647635761.db2.gz XGHUHRFWFQSVLK-CJNGLKHVSA-N 1 1 309.410 2.338 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000822671580 648258339 /nfs/dbraw/zinc/25/83/39/648258339.db2.gz NLRQMJODUXUFRV-UHFFFAOYSA-N 1 1 305.378 2.378 20 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VIXYVWNABAWDLT-OKILXGFUSA-N 1 1 307.394 2.136 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000929457136 693958786 /nfs/dbraw/zinc/95/87/86/693958786.db2.gz BTGLYHFJKPJEHK-CQSZACIVSA-N 1 1 323.368 2.267 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860533961 685937514 /nfs/dbraw/zinc/93/75/14/685937514.db2.gz ZBKRQPTWCRPMNJ-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860533961 685937516 /nfs/dbraw/zinc/93/75/16/685937516.db2.gz ZBKRQPTWCRPMNJ-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000861345274 686049022 /nfs/dbraw/zinc/04/90/22/686049022.db2.gz RISDJGXVGUBGEZ-CJNGLKHVSA-N 1 1 322.361 2.169 20 5 DEBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000861344359 686049877 /nfs/dbraw/zinc/04/98/77/686049877.db2.gz OWTZCZMVLQOTFT-CZUORRHYSA-N 1 1 322.361 2.169 20 5 DEBDMO C[N@@H+](CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCC1 ZINC000863895804 686589259 /nfs/dbraw/zinc/58/92/59/686589259.db2.gz VSEXXWLLZHYVSR-UHFFFAOYSA-N 1 1 311.769 2.349 20 5 DEBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000864886032 686875607 /nfs/dbraw/zinc/87/56/07/686875607.db2.gz XKPAWIXYEZNFQU-KGLIPLIRSA-N 1 1 321.352 2.019 20 5 DEBDMO CCc1[nH+]c(C)cn1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000865392485 687196689 /nfs/dbraw/zinc/19/66/89/687196689.db2.gz JMFGSPCTWOQTAL-UHFFFAOYSA-N 1 1 314.345 2.251 20 5 DEBDMO CC(C)(O)C[N@@H+]1CC[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000865656101 687292310 /nfs/dbraw/zinc/29/23/10/687292310.db2.gz SCHNAZGITFLJLS-ZKKXHLJNSA-N 1 1 319.405 2.043 20 5 DEBDMO CC(C)(O)C[N@H+]1CC[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000865656101 687292314 /nfs/dbraw/zinc/29/23/14/687292314.db2.gz SCHNAZGITFLJLS-ZKKXHLJNSA-N 1 1 319.405 2.043 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866042817 687419597 /nfs/dbraw/zinc/41/95/97/687419597.db2.gz FQVDEQIRZLBHQH-RISCZKNCSA-N 1 1 323.368 2.075 20 5 DEBDMO CC(=O)c1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866206170 687491434 /nfs/dbraw/zinc/49/14/34/687491434.db2.gz BWPAWBAAYCENOT-SWLSCSKDSA-N 1 1 303.362 2.328 20 5 DEBDMO C[C@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1cccc([N+](=O)[O-])c1 ZINC000866411933 687564023 /nfs/dbraw/zinc/56/40/23/687564023.db2.gz YXVLXWHJCCBTEJ-JSGCOSHPSA-N 1 1 307.394 2.091 20 5 DEBDMO C[C@H](N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1cccc([N+](=O)[O-])c1 ZINC000866411933 687564028 /nfs/dbraw/zinc/56/40/28/687564028.db2.gz YXVLXWHJCCBTEJ-JSGCOSHPSA-N 1 1 307.394 2.091 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000867457743 687705278 /nfs/dbraw/zinc/70/52/78/687705278.db2.gz GMFQUFMVOBXFSE-CYBMUJFWSA-N 1 1 323.368 2.265 20 5 DEBDMO C[C@@]([NH3+])(C(=O)N1CCSC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000870904646 688682013 /nfs/dbraw/zinc/68/20/13/688682013.db2.gz YZUIQJXEQNLNBP-HNNXBMFYSA-N 1 1 323.418 2.123 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000930882327 694261710 /nfs/dbraw/zinc/26/17/10/694261710.db2.gz GCZCEDLKGCWDGF-WBMJQRKESA-N 1 1 318.377 2.319 20 5 DEBDMO Cc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873253225 689194950 /nfs/dbraw/zinc/19/49/50/689194950.db2.gz VHQMWPNJHZFRRU-HRCADAONSA-N 1 1 319.405 2.150 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC000930913479 694271653 /nfs/dbraw/zinc/27/16/53/694271653.db2.gz XMWOXSAVTZJQQY-GYSYKLTISA-N 1 1 321.377 2.078 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC000874845054 689515857 /nfs/dbraw/zinc/51/58/57/689515857.db2.gz UKDKEZAHERSBOV-HUUCEWRRSA-N 1 1 303.362 2.212 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000931057510 694306013 /nfs/dbraw/zinc/30/60/13/694306013.db2.gz PEDNBOBSQVIEPW-SWLSCSKDSA-N 1 1 318.377 2.379 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000877629513 690173266 /nfs/dbraw/zinc/17/32/66/690173266.db2.gz VCMJNLVFNWDWLR-HIFRSBDPSA-N 1 1 317.389 2.312 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]21 ZINC000877738418 690209296 /nfs/dbraw/zinc/20/92/96/690209296.db2.gz BOWGMGMHBPRMBP-GXTWGEPZSA-N 1 1 320.349 2.029 20 5 DEBDMO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000878633439 690460678 /nfs/dbraw/zinc/46/06/78/690460678.db2.gz ODOLQIXNSBRIOK-DOMZBBRYSA-N 1 1 318.377 2.272 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000879563621 690671457 /nfs/dbraw/zinc/67/14/57/690671457.db2.gz TVIONNCWMSTFAZ-UMVBOHGHSA-N 1 1 308.403 2.313 20 5 DEBDMO CC(C)(O)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879963790 690768596 /nfs/dbraw/zinc/76/85/96/690768596.db2.gz OXSLFHWJIKHIIP-HIFRSBDPSA-N 1 1 308.378 2.111 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+]2[C@H](C)CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000880438745 690899234 /nfs/dbraw/zinc/89/92/34/690899234.db2.gz WQSPXRUPZMLMIO-DGCLKSJQSA-N 1 1 321.377 2.077 20 5 DEBDMO COC[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(Br)c1 ZINC000931557536 694428268 /nfs/dbraw/zinc/42/82/68/694428268.db2.gz HZTCWCSRISIALB-LLVKDONJSA-N 1 1 303.156 2.003 20 5 DEBDMO CC(=O)c1c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000881869470 691176953 /nfs/dbraw/zinc/17/69/53/691176953.db2.gz ZFLYRFLVWBTALU-STQMWFEESA-N 1 1 319.361 2.073 20 5 DEBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](C2CCC2)CC1 ZINC000881980941 691194942 /nfs/dbraw/zinc/19/49/42/691194942.db2.gz DZJLRJGERYLANB-UHFFFAOYSA-N 1 1 303.362 2.472 20 5 DEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931626863 694443541 /nfs/dbraw/zinc/44/35/41/694443541.db2.gz UJHRWSIZVAIUOQ-VIFPVBQESA-N 1 1 312.757 2.382 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000882960805 691397850 /nfs/dbraw/zinc/39/78/50/691397850.db2.gz WRKQKXKDVGBRFO-LBPRGKRZSA-N 1 1 307.350 2.196 20 5 DEBDMO O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CN1CC1CC1 ZINC000883403537 691499418 /nfs/dbraw/zinc/49/94/18/691499418.db2.gz WFLJDMZVTODDKR-ZDUSSCGKSA-N 1 1 323.780 2.349 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000883553543 691537775 /nfs/dbraw/zinc/53/77/75/691537775.db2.gz VRPSTUNVMVYKIV-RYUDHWBXSA-N 1 1 306.366 2.049 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H]([C@@H]4CCCO4)C3)c2c1 ZINC000884483542 691748369 /nfs/dbraw/zinc/74/83/69/691748369.db2.gz UZOZSWZLJDFURI-BBRMVZONSA-N 1 1 316.361 2.403 20 5 DEBDMO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000931780790 694477614 /nfs/dbraw/zinc/47/76/14/694477614.db2.gz QEINSHQBKTUORS-HFBAOOFYSA-N 1 1 317.389 2.297 20 5 DEBDMO O=[N+]([O-])c1ncccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000885949176 691969289 /nfs/dbraw/zinc/96/92/89/691969289.db2.gz QBFSQTAFQYTZIM-UHFFFAOYSA-N 1 1 312.373 2.308 20 5 DEBDMO C[C@@H](C[N@H+](C)Cc1cccnc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000886243168 692034553 /nfs/dbraw/zinc/03/45/53/692034553.db2.gz PUDSNYWBSGXBPK-NSHDSACASA-N 1 1 309.366 2.399 20 5 DEBDMO C[C@@H](C[N@@H+](C)Cc1cccnc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000886243168 692034555 /nfs/dbraw/zinc/03/45/55/692034555.db2.gz PUDSNYWBSGXBPK-NSHDSACASA-N 1 1 309.366 2.399 20 5 DEBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000886273680 692042391 /nfs/dbraw/zinc/04/23/91/692042391.db2.gz DTICSIYKZCUCGN-HNNXBMFYSA-N 1 1 301.346 2.025 20 5 DEBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000886273680 692042393 /nfs/dbraw/zinc/04/23/93/692042393.db2.gz DTICSIYKZCUCGN-HNNXBMFYSA-N 1 1 301.346 2.025 20 5 DEBDMO C[C@H]1C[C@@H](C(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000887817952 692456556 /nfs/dbraw/zinc/45/65/56/692456556.db2.gz RWLHPZNKANOHSC-AAEUAGOBSA-N 1 1 303.362 2.214 20 5 DEBDMO Cn1ccc([C@@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC000932132676 694556385 /nfs/dbraw/zinc/55/63/85/694556385.db2.gz MDUBTUQHNSFIBN-GFCCVEGCSA-N 1 1 301.350 2.103 20 5 DEBDMO Cn1ccc([C@@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC000932132676 694556387 /nfs/dbraw/zinc/55/63/87/694556387.db2.gz MDUBTUQHNSFIBN-GFCCVEGCSA-N 1 1 301.350 2.103 20 5 DEBDMO C[C@@H]1COC[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000932488986 694624807 /nfs/dbraw/zinc/62/48/07/694624807.db2.gz OCSBFTLALASDOW-LDYMZIIASA-N 1 1 315.167 2.482 20 5 DEBDMO C[C@H](NC(=O)[C@H]1[NH2+]CCc2occc21)c1cccc([N+](=O)[O-])c1 ZINC001343148234 1150697130 /nfs/dbraw/zinc/69/71/30/1150697130.db2.gz MVRBCENIMPMBDR-BONVTDFDSA-N 1 1 315.329 2.252 20 5 DEBDMO Cc1cc(C(=O)NC[C@@]23CC[N@@H+](C2)CCC3)ccc1[N+](=O)[O-] ZINC001347809385 1151099387 /nfs/dbraw/zinc/09/93/87/1151099387.db2.gz NCJXDHDTYXJDEZ-MRXNPFEDSA-N 1 1 303.362 2.119 20 5 DEBDMO CO[C@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCOC1 ZINC001350365447 1151348610 /nfs/dbraw/zinc/34/86/10/1151348610.db2.gz STJKPBJMMYEKAP-XJKSGUPXSA-N 1 1 306.362 2.004 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC001472449444 1151874611 /nfs/dbraw/zinc/87/46/11/1151874611.db2.gz UZSIKYFYNLBVRK-LBPRGKRZSA-N 1 1 316.361 2.242 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001472449568 1151874618 /nfs/dbraw/zinc/87/46/18/1151874618.db2.gz XJSUDYOUENWVRJ-NSHDSACASA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@@H]1C ZINC001444619169 1183487112 /nfs/dbraw/zinc/48/71/12/1183487112.db2.gz UYAXIQHSHYAPCJ-RYUDHWBXSA-N 1 1 320.393 2.122 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC001333391971 1150044432 /nfs/dbraw/zinc/04/44/32/1150044432.db2.gz GNKYVVMWDUCBCY-LBPRGKRZSA-N 1 1 318.377 2.400 20 5 DEBDMO CCOc1cnc(NCc2ccc(N)[nH+]c2C)c([N+](=O)[O-])c1 ZINC001167784999 778547652 /nfs/dbraw/zinc/54/76/52/778547652.db2.gz GUEWCDSHCCLPOW-UHFFFAOYSA-N 1 1 303.322 2.286 20 5 DEBDMO C[N@@H+]1CCCC[C@@H]1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000745083940 784675195 /nfs/dbraw/zinc/67/51/95/784675195.db2.gz ZZNJGZGEGOGBCY-CQSZACIVSA-N 1 1 308.334 2.001 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000745083940 784675200 /nfs/dbraw/zinc/67/52/00/784675200.db2.gz ZZNJGZGEGOGBCY-CQSZACIVSA-N 1 1 308.334 2.001 20 5 DEBDMO CN1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1c1ccccc1 ZINC001169028484 785008481 /nfs/dbraw/zinc/00/84/81/785008481.db2.gz SMPFDJUEEBJRNQ-OIISXLGYSA-N 1 1 303.406 2.421 20 5 DEBDMO Cc1nccnc1O[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169054670 785024243 /nfs/dbraw/zinc/02/42/43/785024243.db2.gz NJJGHQGIEUFIEV-SOUVJXGZSA-N 1 1 320.393 2.074 20 5 DEBDMO COc1ccc(C[C@H](C)[NH2+]Cc2nnc(C)o2)c([N+](=O)[O-])c1 ZINC001170325997 786909765 /nfs/dbraw/zinc/90/97/65/786909765.db2.gz ZVYDSVOHURGRSY-VIFPVBQESA-N 1 1 306.322 2.016 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170334809 786914382 /nfs/dbraw/zinc/91/43/82/786914382.db2.gz JAONLRJBJFHUIT-FPMFFAJLSA-N 1 1 306.362 2.113 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccncn2)c([N+](=O)[O-])c1 ZINC001170355571 786917752 /nfs/dbraw/zinc/91/77/52/786917752.db2.gz KLYUOUOTSNQZOX-GFCCVEGCSA-N 1 1 316.361 2.456 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)c([N+](=O)[O-])c1 ZINC001170352072 786931371 /nfs/dbraw/zinc/93/13/71/786931371.db2.gz KYKZSDBMWRBOHA-BNOWGMLFSA-N 1 1 318.373 2.445 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+](C)CC(OC)OC)c([N+](=O)[O-])c1 ZINC001170351651 786931470 /nfs/dbraw/zinc/93/14/70/786931470.db2.gz GQMUUBPJFHNRLW-LLVKDONJSA-N 1 1 312.366 2.085 20 5 DEBDMO COc1nc(N2CC[N@@H+](C)CC23CCCC3)ccc1[N+](=O)[O-] ZINC001158408736 787654825 /nfs/dbraw/zinc/65/48/25/787654825.db2.gz NZVKGPWDGWLKAV-UHFFFAOYSA-N 1 1 306.366 2.063 20 5 DEBDMO Cc1ccc(NCCN(C)C(=O)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001101657672 793298705 /nfs/dbraw/zinc/29/87/05/793298705.db2.gz KIAKBAVJYIJYIF-UHFFFAOYSA-N 1 1 322.409 2.114 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ncco2)c1F ZINC001173174821 793617696 /nfs/dbraw/zinc/61/76/96/793617696.db2.gz CXWMCEORMWXRDH-SECBINFHSA-N 1 1 309.297 2.451 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H](OC)C2)c1F ZINC001173180372 793620251 /nfs/dbraw/zinc/62/02/51/793620251.db2.gz KFTHQONWVIWEGW-GHMZBOCLSA-N 1 1 312.341 2.394 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001173235880 793647018 /nfs/dbraw/zinc/64/70/18/793647018.db2.gz ZYNOJDXHJFWQFM-BLLLJJGKSA-N 1 1 319.361 2.100 20 5 DEBDMO CCNC(=O)[C@@H]1CCC[N@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173236679 793654335 /nfs/dbraw/zinc/65/43/35/793654335.db2.gz DXHMLAQCVUZBOY-DOMZBBRYSA-N 1 1 305.378 2.126 20 5 DEBDMO Cn1cc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c([N+](=O)[O-])n1 ZINC001119306870 795285269 /nfs/dbraw/zinc/28/52/69/795285269.db2.gz VWDWTMIPJVOUQJ-UHFFFAOYSA-N 1 1 324.772 2.015 20 5 DEBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)[N@H+]1CCC[C@H](C)C1 ZINC001141643204 796682739 /nfs/dbraw/zinc/68/27/39/796682739.db2.gz LGNWULFCDMDZEP-RYUDHWBXSA-N 1 1 320.393 2.027 20 5 DEBDMO C[NH+](C)/C=C/c1cc(NCc2ccnc(N)c2)ncc1[N+](=O)[O-] ZINC001156760676 798077892 /nfs/dbraw/zinc/07/78/92/798077892.db2.gz NDEJWSKIGAOTDG-GQCTYLIASA-N 1 1 314.349 2.111 20 5 DEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]([N@H+](C)C(C)C)C2)n1 ZINC001157000286 798125919 /nfs/dbraw/zinc/12/59/19/798125919.db2.gz CSIUIRSNRZMYLU-JTQLQIEISA-N 1 1 313.789 2.266 20 5 DEBDMO CCN(c1cc([N+](=O)[O-])cc2c(Cl)ncnc21)C1C[NH+](C)C1 ZINC001157461409 798210136 /nfs/dbraw/zinc/21/01/36/798210136.db2.gz KOYREBFTCTZNMB-UHFFFAOYSA-N 1 1 321.768 2.332 20 5 DEBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@H+]2CC[C@@H]2C1 ZINC001158423753 798405170 /nfs/dbraw/zinc/40/51/70/798405170.db2.gz NDDSVYAVAXYJQD-SSDOTTSWSA-N 1 1 303.149 2.191 20 5 DEBDMO C[NH+](C)/C=C/c1cc(NC[C@@H](F)C(C)(C)O)ncc1[N+](=O)[O-] ZINC001162415040 799082218 /nfs/dbraw/zinc/08/22/18/799082218.db2.gz PQDHDCGXIVQTKR-BTDICHCPSA-N 1 1 312.345 2.043 20 5 DEBDMO [NH3+][C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CCC1(F)F ZINC001164324455 799572336 /nfs/dbraw/zinc/57/23/36/799572336.db2.gz SYQXTTIUNGWWTR-LBPRGKRZSA-N 1 1 308.288 2.316 20 5 DEBDMO CCO[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000932975051 799985535 /nfs/dbraw/zinc/98/55/35/799985535.db2.gz WBPXWOLLEJOUED-LBPRGKRZSA-N 1 1 307.350 2.034 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOC[C@H]2CC2CC2)c1 ZINC000933212008 800041601 /nfs/dbraw/zinc/04/16/01/800041601.db2.gz UQZRTOMRBZMUQX-HZPDHXFCSA-N 1 1 306.362 2.129 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOC[C@H]2CC2CC2)c1 ZINC000933212008 800041606 /nfs/dbraw/zinc/04/16/06/800041606.db2.gz UQZRTOMRBZMUQX-HZPDHXFCSA-N 1 1 306.362 2.129 20 5 DEBDMO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000934124775 800268792 /nfs/dbraw/zinc/26/87/92/800268792.db2.gz DMXIAMQLNIWDKQ-OLZOCXBDSA-N 1 1 318.333 2.254 20 5 DEBDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000934124775 800268796 /nfs/dbraw/zinc/26/87/96/800268796.db2.gz DMXIAMQLNIWDKQ-OLZOCXBDSA-N 1 1 318.333 2.254 20 5 DEBDMO C[C@@]1(C2CC2)COCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000934476924 800366733 /nfs/dbraw/zinc/36/67/33/800366733.db2.gz DYLOIPJJDFYRQG-CVEARBPZSA-N 1 1 306.362 2.129 20 5 DEBDMO C[C@@]1(C2CC2)COCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000934476924 800366738 /nfs/dbraw/zinc/36/67/38/800366738.db2.gz DYLOIPJJDFYRQG-CVEARBPZSA-N 1 1 306.362 2.129 20 5 DEBDMO Cc1cc(N)[nH+]cc1-n1c2ccccc2nc2cc(N)c(=O)cc1-2 ZINC001209971143 801313939 /nfs/dbraw/zinc/31/39/39/801313939.db2.gz RCZXVFICTHHIKX-UHFFFAOYSA-N 1 1 317.352 2.358 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC001230491718 801405466 /nfs/dbraw/zinc/40/54/66/801405466.db2.gz APPHILCGKJSUIC-JTQLQIEISA-N 1 1 318.289 2.402 20 5 DEBDMO C[N@H+](CCCNC(=O)C(C)(C)F)Cc1csc([N+](=O)[O-])c1 ZINC001231131604 801588997 /nfs/dbraw/zinc/58/89/97/801588997.db2.gz YCQQALRLGALIBW-UHFFFAOYSA-N 1 1 317.386 2.343 20 5 DEBDMO C[N@@H+](CCCNC(=O)C(C)(C)F)Cc1csc([N+](=O)[O-])c1 ZINC001231131604 801589000 /nfs/dbraw/zinc/58/90/00/801589000.db2.gz YCQQALRLGALIBW-UHFFFAOYSA-N 1 1 317.386 2.343 20 5 DEBDMO CN1CCO[C@@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001231620759 801696490 /nfs/dbraw/zinc/69/64/90/801696490.db2.gz INKQKTXTLFLVHK-JCBPLVBSSA-N 1 1 317.389 2.013 20 5 DEBDMO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001218023165 802132992 /nfs/dbraw/zinc/13/29/92/802132992.db2.gz GXDKSGDNPDRVIL-RNCFNFMXSA-N 1 1 318.333 2.011 20 5 DEBDMO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001234408280 802371564 /nfs/dbraw/zinc/37/15/64/802371564.db2.gz LONZRTBBNJCCPL-CYBMUJFWSA-N 1 1 322.361 2.173 20 5 DEBDMO COc1ccc(CO[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001223519191 802797147 /nfs/dbraw/zinc/79/71/47/802797147.db2.gz WZQGKPFTRZJCRZ-ZDUSSCGKSA-N 1 1 303.318 2.332 20 5 DEBDMO CO[C@@H]1CC[N@H+](CCOc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226199663 803070364 /nfs/dbraw/zinc/07/03/64/803070364.db2.gz XIMGUQOLMIJQBR-SECBINFHSA-N 1 1 318.732 2.487 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CCOc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226199663 803070373 /nfs/dbraw/zinc/07/03/73/803070373.db2.gz XIMGUQOLMIJQBR-SECBINFHSA-N 1 1 318.732 2.487 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228243475 803334799 /nfs/dbraw/zinc/33/47/99/803334799.db2.gz ZFERYNJBFNJHFL-LLVKDONJSA-N 1 1 318.333 2.105 20 5 DEBDMO Cc1cc[nH+]c(N2CCC(Oc3ncncc3[N+](=O)[O-])CC2)c1 ZINC001228659286 803388623 /nfs/dbraw/zinc/38/86/23/803388623.db2.gz IGILDNBQTVQDIX-UHFFFAOYSA-N 1 1 315.333 2.136 20 5 DEBDMO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001335238099 1150388495 /nfs/dbraw/zinc/38/84/95/1150388495.db2.gz PPIGVZLJYCJZFU-OAHLLOKOSA-N 1 1 300.362 2.175 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC001344874913 1150848038 /nfs/dbraw/zinc/84/80/38/1150848038.db2.gz IWBVGHKETJVVAU-BXUZGUMPSA-N 1 1 304.350 2.071 20 5 DEBDMO CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001346198240 1150950309 /nfs/dbraw/zinc/95/03/09/1150950309.db2.gz VBKMOHXYMKJVKJ-GJZGRUSLSA-N 1 1 306.362 2.250 20 5 DEBDMO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3cccc([N+](=O)[O-])c3)C[N@H+]2C1 ZINC001346369430 1150975744 /nfs/dbraw/zinc/97/57/44/1150975744.db2.gz QZGIZVLFTZJURP-VHDGCEQUSA-N 1 1 317.389 2.331 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001526565509 1070312080 /nfs/dbraw/zinc/31/20/80/1070312080.db2.gz YKBYYNKIJBNFCT-MFKMUULPSA-N 1 1 321.402 2.093 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001530533995 1071248841 /nfs/dbraw/zinc/24/88/41/1071248841.db2.gz SEUYSZBNBCSPJK-UHFFFAOYSA-N 1 1 309.285 2.428 20 5 DEBDMO C[N@H+]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C(C)(C)C1 ZINC001472029488 1060373263 /nfs/dbraw/zinc/37/32/63/1060373263.db2.gz RUVJTUDIDMRHSH-LLVKDONJSA-N 1 1 311.769 2.318 20 5 DEBDMO COc1c(O)ccc(C[NH2+][C@H]2CCCn3nccc32)c1[N+](=O)[O-] ZINC001474680176 1060916681 /nfs/dbraw/zinc/91/66/81/1060916681.db2.gz MOOKRRCCOFXROX-NSHDSACASA-N 1 1 318.333 2.130 20 5 DEBDMO C/C=C(/C)C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479764258 1061706349 /nfs/dbraw/zinc/70/63/49/1061706349.db2.gz OYGHUNOSGHDYKW-PQMHYQBVSA-N 1 1 305.378 2.499 20 5 DEBDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001625754747 1078250974 /nfs/dbraw/zinc/25/09/74/1078250974.db2.gz YINBAQYYCTUTOI-CYBMUJFWSA-N 1 1 306.366 2.236 20 5 DEBDMO CN(CCC[N@@H+](C)CC1CC2(CCC2)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570197138 1065968055 /nfs/dbraw/zinc/96/80/55/1065968055.db2.gz XNJUSTALNANJGW-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO CN(CCC[N@H+](C)CC1CC2(CCC2)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001570197138 1065968061 /nfs/dbraw/zinc/96/80/61/1065968061.db2.gz XNJUSTALNANJGW-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO CN(CCC[N@@H+](C)CC1CC2(CCC2)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001570197138 1065968067 /nfs/dbraw/zinc/96/80/67/1065968067.db2.gz XNJUSTALNANJGW-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001635648872 1078455650 /nfs/dbraw/zinc/45/56/50/1078455650.db2.gz LQHSIAQTIPJBAP-CYBMUJFWSA-N 1 1 323.418 2.387 20 5 DEBDMO CON(C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001579098614 1067234373 /nfs/dbraw/zinc/23/43/73/1067234373.db2.gz NGGWQCDGNCJZNE-HNNXBMFYSA-N 1 1 307.350 2.101 20 5 DEBDMO C[C@@H]1Cc2n[nH]cc2C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001620582324 1067505644 /nfs/dbraw/zinc/50/56/44/1067505644.db2.gz GLGVRGQWXNAUHE-BDJLRTHQSA-N 1 1 316.361 2.046 20 5 DEBDMO Cc1[nH]c(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001638893309 1078587000 /nfs/dbraw/zinc/58/70/00/1078587000.db2.gz ULFNQPRJCRVCIU-KBPBESRZSA-N 1 1 314.345 2.355 20 5 DEBDMO O=[N+]([O-])c1ccc2nc(N[C@@H]3Cc4c[nH+]cn4C3)sc2c1 ZINC001640223824 1078649067 /nfs/dbraw/zinc/64/90/67/1078649067.db2.gz AVXKBIMNVZDGAL-MRVPVSSYSA-N 1 1 301.331 2.438 20 5 DEBDMO Cc1[nH]c(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c(C)[nH+]1 ZINC001640432300 1078660637 /nfs/dbraw/zinc/66/06/37/1078660637.db2.gz XMYBMJTYQRFLBE-UHFFFAOYSA-N 1 1 315.333 2.432 20 5 DEBDMO C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001644515572 1078848535 /nfs/dbraw/zinc/84/85/35/1078848535.db2.gz VVYLRSNHZNAVFK-ZDUSSCGKSA-N 1 1 304.394 2.439 20 5 DEBDMO CO[C@H]1C[NH2+][C@](C)(C(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001573960054 1069135891 /nfs/dbraw/zinc/13/58/91/1069135891.db2.gz CMHBJLCLHKZEKZ-WBMJQRKESA-N 1 1 322.361 2.022 20 5 DEBDMO O=C(NCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001645729384 1078973929 /nfs/dbraw/zinc/97/39/29/1078973929.db2.gz ZZNQPIAQYOKSRH-OAHLLOKOSA-N 1 1 317.389 2.300 20 5 DEBDMO CC(C)CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001483968288 1079219145 /nfs/dbraw/zinc/21/91/45/1079219145.db2.gz YYASZSQGWZKHEP-ZIAGYGMSSA-N 1 1 311.426 2.059 20 5 DEBDMO Cc1ccc(C[N@@H+]2CCC[C@H](c3cn(C)nn3)C2)cc1[N+](=O)[O-] ZINC001648590631 1075002638 /nfs/dbraw/zinc/00/26/38/1075002638.db2.gz DTFYBVFUZBLUCV-AWEZNQCLSA-N 1 1 315.377 2.411 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c2ccncc21 ZINC001559295758 1075119046 /nfs/dbraw/zinc/11/90/46/1075119046.db2.gz KVOGPSCDXFOFMK-RYUDHWBXSA-N 1 1 316.336 2.375 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001563097317 1075163438 /nfs/dbraw/zinc/16/34/38/1075163438.db2.gz DPWYZJDPPSYGJD-NSHDSACASA-N 1 1 322.365 2.161 20 5 DEBDMO C[C@@H](NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001565338613 1075178009 /nfs/dbraw/zinc/17/80/09/1075178009.db2.gz DLVPZGJZFNQFLP-KYOSRNDESA-N 1 1 318.377 2.001 20 5 DEBDMO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001620706632 1076086498 /nfs/dbraw/zinc/08/64/98/1076086498.db2.gz RCHJMTJWIFZNDM-NSHDSACASA-N 1 1 317.345 2.469 20 5 DEBDMO CC1(C)CCC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590095853 1076562884 /nfs/dbraw/zinc/56/28/84/1076562884.db2.gz BTSNIFZABAHDPG-UHFFFAOYSA-N 1 1 316.365 2.397 20 5 DEBDMO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[C@@H]1C ZINC001590273187 1076604237 /nfs/dbraw/zinc/60/42/37/1076604237.db2.gz WGSBOOGMXRBJBM-QWRGUYRKSA-N 1 1 316.365 2.253 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1Nc1ccc2[nH+]ccn2c1 ZINC001593474362 1077008085 /nfs/dbraw/zinc/00/80/85/1077008085.db2.gz DRTDTNWOHLDNGK-UHFFFAOYSA-N 1 1 322.288 2.166 20 5 DEBDMO C[NH+](C)[C@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC001595864303 1077070104 /nfs/dbraw/zinc/07/01/04/1077070104.db2.gz NOVTYBIGDPRWEA-LBPRGKRZSA-N 1 1 323.740 2.213 20 5 DEBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609198494 1077794104 /nfs/dbraw/zinc/79/41/04/1077794104.db2.gz BSDRMUHNBKLAPV-WDEREUQCSA-N 1 1 316.365 2.395 20 5 DEBDMO CC[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C(C)(C)C ZINC001609224807 1077806913 /nfs/dbraw/zinc/80/69/13/1077806913.db2.gz AHNMVEINJJORNF-UHFFFAOYSA-N 1 1 304.354 2.395 20 5 DEBDMO O=C(NCc1c[nH+]c2n1CCC2)c1cccc(Cl)c1[N+](=O)[O-] ZINC001651792971 1079832165 /nfs/dbraw/zinc/83/21/65/1079832165.db2.gz WMIOTBSDASCNMG-UHFFFAOYSA-N 1 1 320.736 2.321 20 5 DEBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1NCC[N@@H+]1CC=CCC1 ZINC001651808982 1079833440 /nfs/dbraw/zinc/83/34/40/1079833440.db2.gz IXVLADOAFVPCMS-UHFFFAOYSA-N 1 1 316.336 2.378 20 5 DEBDMO Cc1[nH+]ccn1-c1ccccc1CNc1nn(C)cc1[N+](=O)[O-] ZINC001655404829 1079997726 /nfs/dbraw/zinc/99/77/26/1079997726.db2.gz QHISZYRFAKNBDG-UHFFFAOYSA-N 1 1 312.333 2.435 20 5 DEBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001655920590 1080025680 /nfs/dbraw/zinc/02/56/80/1080025680.db2.gz FABJZMMBHPKMPG-RYUDHWBXSA-N 1 1 316.336 2.375 20 5 DEBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001655920590 1080025690 /nfs/dbraw/zinc/02/56/90/1080025690.db2.gz FABJZMMBHPKMPG-RYUDHWBXSA-N 1 1 316.336 2.375 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001658490837 1080208805 /nfs/dbraw/zinc/20/88/05/1080208805.db2.gz GUVHWKVBPXKEPK-GXTWGEPZSA-N 1 1 319.361 2.142 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001659035142 1080226811 /nfs/dbraw/zinc/22/68/11/1080226811.db2.gz JESHDXPPTHJRQJ-LBPRGKRZSA-N 1 1 304.350 2.310 20 5 DEBDMO CN1CCCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001659035142 1080226818 /nfs/dbraw/zinc/22/68/18/1080226818.db2.gz JESHDXPPTHJRQJ-LBPRGKRZSA-N 1 1 304.350 2.310 20 5 DEBDMO C/C=C(/C)C(=O)N(C)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001496686589 1081277359 /nfs/dbraw/zinc/27/73/59/1081277359.db2.gz JRRSQCUHYPLIQS-ACAGNQJTSA-N 1 1 305.378 2.451 20 5 DEBDMO C/C=C(/C)C(=O)N(C)CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001496686589 1081277363 /nfs/dbraw/zinc/27/73/63/1081277363.db2.gz JRRSQCUHYPLIQS-ACAGNQJTSA-N 1 1 305.378 2.451 20 5 DEBDMO O=C(NC/C=C/C[NH2+]CCC1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001668820611 1081400912 /nfs/dbraw/zinc/40/09/12/1081400912.db2.gz HBROZDOFCVXBAT-DOOVEFGSSA-N 1 1 323.437 2.274 20 5 DEBDMO CC(F)(F)C(=O)NC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001482976944 1082590015 /nfs/dbraw/zinc/59/00/15/1082590015.db2.gz VBSUJJBRHHFHFQ-IHWYPQMZSA-N 1 1 319.333 2.074 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001297467088 1139870989 /nfs/dbraw/zinc/87/09/89/1139870989.db2.gz QHVRIHRVDLWTHA-CQSZACIVSA-N 1 1 320.393 2.027 20 5 DEBDMO C/C=C(\C)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001323423101 1141852387 /nfs/dbraw/zinc/85/23/87/1141852387.db2.gz PHKFBJNGTDQKTO-XCVCLJGOSA-N 1 1 309.391 2.361 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001337716514 1142792037 /nfs/dbraw/zinc/79/20/37/1142792037.db2.gz KSOQRLNZKUMLQC-ZLKJLUDKSA-N 1 1 321.352 2.112 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001338466255 1142857889 /nfs/dbraw/zinc/85/78/89/1142857889.db2.gz WKZVAYUVSMWHQH-MGPQQGTHSA-N 1 1 317.389 2.282 20 5 DEBDMO C[C@@]1(CO)CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254475004 1143131539 /nfs/dbraw/zinc/13/15/39/1143131539.db2.gz XRJGVHLBACIPTC-QGZVFWFLSA-N 1 1 319.405 2.268 20 5 DEBDMO COC(=O)CC[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254480926 1143137200 /nfs/dbraw/zinc/13/72/00/1143137200.db2.gz QINGXDYGIUPWIK-UHFFFAOYSA-N 1 1 321.377 2.059 20 5 DEBDMO COc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1OC ZINC001339999050 1143226289 /nfs/dbraw/zinc/22/62/89/1143226289.db2.gz MFWRBXZPYNWASG-SDDRHHMPSA-N 1 1 321.377 2.364 20 5 DEBDMO CC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254566398 1143250226 /nfs/dbraw/zinc/25/02/26/1143250226.db2.gz TZCUBWYLLPVGOE-CZUORRHYSA-N 1 1 319.405 2.469 20 5 DEBDMO CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254566356 1143250778 /nfs/dbraw/zinc/25/07/78/1143250778.db2.gz STXAMEXJUDDDSU-SWLSCSKDSA-N 1 1 305.378 2.078 20 5 DEBDMO O=C1N[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc21 ZINC001254583174 1143268494 /nfs/dbraw/zinc/26/84/94/1143268494.db2.gz YDSOPFBETJFDSG-LRDDRELGSA-N 1 1 309.325 2.094 20 5 DEBDMO CC[N@H+](CCN1CCCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598042 1143271290 /nfs/dbraw/zinc/27/12/90/1143271290.db2.gz GUTGZIIYRJMYPH-QGZVFWFLSA-N 1 1 303.406 2.480 20 5 DEBDMO CC[N@@H+](CCN1CCCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598042 1143271297 /nfs/dbraw/zinc/27/12/97/1143271297.db2.gz GUTGZIIYRJMYPH-QGZVFWFLSA-N 1 1 303.406 2.480 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC[N@H+]3CCC[C@H]3C1)C2 ZINC001254601356 1143275031 /nfs/dbraw/zinc/27/50/31/1143275031.db2.gz YQDNRTPOYVGIAI-DLBZAZTESA-N 1 1 301.390 2.232 20 5 DEBDMO COC(=O)[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611375 1143281589 /nfs/dbraw/zinc/28/15/89/1143281589.db2.gz PYKGJORHZUPOLT-MLGOLLRUSA-N 1 1 318.373 2.337 20 5 DEBDMO COC(=O)CC[N@@H+](C1CC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610282 1143282040 /nfs/dbraw/zinc/28/20/40/1143282040.db2.gz JCFQKMNVOZDALW-HNNXBMFYSA-N 1 1 304.346 2.090 20 5 DEBDMO CC(=O)N1CCC[C@@H]([N@@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612798 1143283019 /nfs/dbraw/zinc/28/30/19/1143283019.db2.gz ZAOLRAMVKCNLEG-SJORKVTESA-N 1 1 317.389 2.005 20 5 DEBDMO CC(C)N(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001278908815 1143828580 /nfs/dbraw/zinc/82/85/80/1143828580.db2.gz YGQWPBGEYQXOBU-HZPDHXFCSA-N 1 1 319.405 2.021 20 5 DEBDMO CC(C)N(CC[N@H+](C)Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001278908815 1143828581 /nfs/dbraw/zinc/82/85/81/1143828581.db2.gz YGQWPBGEYQXOBU-HZPDHXFCSA-N 1 1 319.405 2.021 20 5 DEBDMO CC(C)N(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001278908815 1143828582 /nfs/dbraw/zinc/82/85/82/1143828582.db2.gz YGQWPBGEYQXOBU-HZPDHXFCSA-N 1 1 319.405 2.021 20 5 DEBDMO Cc1n[nH]c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC001262109324 1144291387 /nfs/dbraw/zinc/29/13/87/1144291387.db2.gz PVZRMFMYDVKOKS-GFCCVEGCSA-N 1 1 316.365 2.016 20 5 DEBDMO Cc1n[nH]c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC001262109324 1144291391 /nfs/dbraw/zinc/29/13/91/1144291391.db2.gz PVZRMFMYDVKOKS-GFCCVEGCSA-N 1 1 316.365 2.016 20 5 DEBDMO Nc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC001262688177 1144327839 /nfs/dbraw/zinc/32/78/39/1144327839.db2.gz KEDYBWSRFJPHMY-SMDDNHRTSA-N 1 1 317.393 2.025 20 5 DEBDMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000278443833 214156555 /nfs/dbraw/zinc/15/65/55/214156555.db2.gz MBBAKMNYWXYXST-ABAIWWIYSA-N 1 1 303.362 2.399 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000092627304 185330624 /nfs/dbraw/zinc/33/06/24/185330624.db2.gz KQUSKYYJAZLDCY-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@@H](C)[N@@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286702495 219117370 /nfs/dbraw/zinc/11/73/70/219117370.db2.gz ADLQIGHMUFWHFJ-LLVKDONJSA-N 1 1 310.350 2.054 20 5 DEBDMO CNC(=O)c1ccc(NCC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413438127 529942649 /nfs/dbraw/zinc/94/26/49/529942649.db2.gz LODGDCKBCMHEGY-LBPRGKRZSA-N 1 1 320.393 2.098 20 5 DEBDMO C[C@H]1OCC[C@]12C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO2 ZINC000279711547 215080205 /nfs/dbraw/zinc/08/02/05/215080205.db2.gz SPZDNSXDNVZEQW-XSCIRMLOSA-N 1 1 318.373 2.488 20 5 DEBDMO C[C@H]1OCC[C@]12C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO2 ZINC000279711547 215080210 /nfs/dbraw/zinc/08/02/10/215080210.db2.gz SPZDNSXDNVZEQW-XSCIRMLOSA-N 1 1 318.373 2.488 20 5 DEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[N@@H+]1CC=CCC1 ZINC000279908325 215227938 /nfs/dbraw/zinc/22/79/38/215227938.db2.gz FGDXNAYIQAIQOV-UHFFFAOYSA-N 1 1 323.780 2.169 20 5 DEBDMO CC(C)(C)[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000279953228 215267293 /nfs/dbraw/zinc/26/72/93/215267293.db2.gz XXEZXVQWFADJAT-LSDHHAIUSA-N 1 1 308.378 2.375 20 5 DEBDMO CC(C)(C)[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000279953228 215267297 /nfs/dbraw/zinc/26/72/97/215267297.db2.gz XXEZXVQWFADJAT-LSDHHAIUSA-N 1 1 308.378 2.375 20 5 DEBDMO Cc1c(CC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000269586709 186391876 /nfs/dbraw/zinc/39/18/76/186391876.db2.gz BPURMGHSERPRRW-IAQYHMDHSA-N 1 1 317.389 2.045 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173632763 198234503 /nfs/dbraw/zinc/23/45/03/198234503.db2.gz AUWBNJHDHVLMKS-LBPRGKRZSA-N 1 1 310.350 2.093 20 5 DEBDMO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000174731962 198377092 /nfs/dbraw/zinc/37/70/92/198377092.db2.gz OGIQERLFSVQWTC-CYBMUJFWSA-N 1 1 324.402 2.384 20 5 DEBDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000174731962 198377093 /nfs/dbraw/zinc/37/70/93/198377093.db2.gz OGIQERLFSVQWTC-CYBMUJFWSA-N 1 1 324.402 2.384 20 5 DEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000045753291 354261780 /nfs/dbraw/zinc/26/17/80/354261780.db2.gz PVAWOALUUWPKOZ-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000046995843 354301269 /nfs/dbraw/zinc/30/12/69/354301269.db2.gz BPUATGGIPSDQAF-DZGCQCFKSA-N 1 1 303.362 2.260 20 5 DEBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000047119430 354306906 /nfs/dbraw/zinc/30/69/06/354306906.db2.gz CRBGDDBVOXJSOK-STQMWFEESA-N 1 1 305.378 2.445 20 5 DEBDMO COC(=O)[C@]12C[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000595563200 358486504 /nfs/dbraw/zinc/48/65/04/358486504.db2.gz YSXUJOKOIZVZQN-IAQYHMDHSA-N 1 1 323.349 2.056 20 5 DEBDMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000050995098 354377626 /nfs/dbraw/zinc/37/76/26/354377626.db2.gz HHZCRGOQIGBYAA-LBPRGKRZSA-N 1 1 311.407 2.395 20 5 DEBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000050995098 354377630 /nfs/dbraw/zinc/37/76/30/354377630.db2.gz HHZCRGOQIGBYAA-LBPRGKRZSA-N 1 1 311.407 2.395 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3nccs3)CC2)cc1 ZINC000052358625 354401127 /nfs/dbraw/zinc/40/11/27/354401127.db2.gz NSDLGUGSUWAQGO-UHFFFAOYSA-N 1 1 318.402 2.416 20 5 DEBDMO COCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000054355076 354459659 /nfs/dbraw/zinc/45/96/59/354459659.db2.gz AUSAGTYSGVIMQQ-SNVBAGLBSA-N 1 1 306.322 2.284 20 5 DEBDMO COCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000054355076 354459661 /nfs/dbraw/zinc/45/96/61/354459661.db2.gz AUSAGTYSGVIMQQ-SNVBAGLBSA-N 1 1 306.322 2.284 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000066202958 354704295 /nfs/dbraw/zinc/70/42/95/354704295.db2.gz SZRGFIGPLXODIE-NSHDSACASA-N 1 1 324.381 2.455 20 5 DEBDMO Cc1ccc(C(=O)N2CCC[N@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000068800761 354833988 /nfs/dbraw/zinc/83/39/88/354833988.db2.gz BORHRWXQQRIPLH-UHFFFAOYSA-N 1 1 305.378 2.460 20 5 DEBDMO CC(C)[N@H+]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000069820025 354877905 /nfs/dbraw/zinc/87/79/05/354877905.db2.gz KHQNUBBFGWLYRF-UHFFFAOYSA-N 1 1 320.393 2.221 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000069137795 354850926 /nfs/dbraw/zinc/85/09/26/354850926.db2.gz SITQNQJSVMQLSZ-HVHJFMEUSA-N 1 1 317.389 2.456 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000408466597 283083168 /nfs/dbraw/zinc/08/31/68/283083168.db2.gz MMGQVISGQASEKI-RNCFNFMXSA-N 1 1 309.753 2.024 20 5 DEBDMO CO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000076347958 355143067 /nfs/dbraw/zinc/14/30/67/355143067.db2.gz PDLOUDFXBCGATA-FZMZJTMJSA-N 1 1 307.350 2.033 20 5 DEBDMO CO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000076347958 355143069 /nfs/dbraw/zinc/14/30/69/355143069.db2.gz PDLOUDFXBCGATA-FZMZJTMJSA-N 1 1 307.350 2.033 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@]4(CCOC4)C3)nc2c1 ZINC000618285236 363448887 /nfs/dbraw/zinc/44/88/87/363448887.db2.gz YOMLLNCTSVLNHZ-OAHLLOKOSA-N 1 1 302.334 2.084 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@]4(CCOC4)C3)nc2c1 ZINC000618285236 363448890 /nfs/dbraw/zinc/44/88/90/363448890.db2.gz YOMLLNCTSVLNHZ-OAHLLOKOSA-N 1 1 302.334 2.084 20 5 DEBDMO Cc1cnc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000078628516 355271178 /nfs/dbraw/zinc/27/11/78/355271178.db2.gz PVEFHQHZTYUUBJ-BETUJISGSA-N 1 1 308.382 2.209 20 5 DEBDMO CCN1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000089580589 355536895 /nfs/dbraw/zinc/53/68/95/355536895.db2.gz SLUMTNICRHSBHN-CJNGLKHVSA-N 1 1 307.394 2.294 20 5 DEBDMO CC[N@@H+]1CC[C@H](NCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000089580589 355536901 /nfs/dbraw/zinc/53/69/01/355536901.db2.gz SLUMTNICRHSBHN-CJNGLKHVSA-N 1 1 307.394 2.294 20 5 DEBDMO CC[N@H+]1CC[C@H](NCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000089580589 355536905 /nfs/dbraw/zinc/53/69/05/355536905.db2.gz SLUMTNICRHSBHN-CJNGLKHVSA-N 1 1 307.394 2.294 20 5 DEBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000092046360 355616197 /nfs/dbraw/zinc/61/61/97/355616197.db2.gz LGDRAQQHUFDKAH-AWEZNQCLSA-N 1 1 305.378 2.361 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367278901 283112539 /nfs/dbraw/zinc/11/25/39/283112539.db2.gz OONSFKTURUBDJP-LBPRGKRZSA-N 1 1 311.769 2.159 20 5 DEBDMO C[C@@H](O)CC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093481103 355683980 /nfs/dbraw/zinc/68/39/80/355683980.db2.gz BBZYGUAAWPGWTE-GFCCVEGCSA-N 1 1 318.377 2.198 20 5 DEBDMO Cc1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000142404802 355894766 /nfs/dbraw/zinc/89/47/66/355894766.db2.gz WFANETGIZVODOR-AWEZNQCLSA-N 1 1 303.362 2.214 20 5 DEBDMO COc1cc(C[N@@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])cc1F ZINC000292983015 356387970 /nfs/dbraw/zinc/38/79/70/356387970.db2.gz BMORNMUEJRAPBR-LLVKDONJSA-N 1 1 312.341 2.337 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])cc1F ZINC000292983015 356387973 /nfs/dbraw/zinc/38/79/73/356387973.db2.gz BMORNMUEJRAPBR-LLVKDONJSA-N 1 1 312.341 2.337 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000319747530 356441955 /nfs/dbraw/zinc/44/19/55/356441955.db2.gz UCHORYPNCWNISX-JTQLQIEISA-N 1 1 317.349 2.140 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000421501918 283194793 /nfs/dbraw/zinc/19/47/93/283194793.db2.gz DMXIOIQWIIBNRA-JSGCOSHPSA-N 1 1 305.378 2.424 20 5 DEBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])o2)no1)[C@@H]1CCSC1 ZINC000351151784 356623620 /nfs/dbraw/zinc/62/36/20/356623620.db2.gz VKCVDUTWWSPJLP-MRVPVSSYSA-N 1 1 310.335 2.175 20 5 DEBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])o2)no1)[C@@H]1CCSC1 ZINC000351151784 356623621 /nfs/dbraw/zinc/62/36/21/356623621.db2.gz VKCVDUTWWSPJLP-MRVPVSSYSA-N 1 1 310.335 2.175 20 5 DEBDMO CN(C)c1ncc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1C ZINC000425377575 283206479 /nfs/dbraw/zinc/20/64/79/283206479.db2.gz HKRUMTVCNJGDAL-UHFFFAOYSA-N 1 1 317.393 2.069 20 5 DEBDMO COC1(CO)CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000401769496 356727557 /nfs/dbraw/zinc/72/75/57/356727557.db2.gz NLEPPHKISXTFET-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCC[N@H+]1C ZINC000586865480 357377666 /nfs/dbraw/zinc/37/76/66/357377666.db2.gz QSIPBLXQEUDPSN-OAHLLOKOSA-N 1 1 305.378 2.080 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000590758575 357603798 /nfs/dbraw/zinc/60/37/98/357603798.db2.gz CYZUVKIYKACVBP-CABCVRRESA-N 1 1 320.393 2.072 20 5 DEBDMO C[C@@H]1C[C@H](CO)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591475968 357729206 /nfs/dbraw/zinc/72/92/06/357729206.db2.gz DJNLISYZEJHCHO-KGLIPLIRSA-N 1 1 308.378 2.314 20 5 DEBDMO C[C@@H]1[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000592767489 357938717 /nfs/dbraw/zinc/93/87/17/357938717.db2.gz XDHRBQNZAKZJQU-CZUORRHYSA-N 1 1 319.405 2.374 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000593110306 358013023 /nfs/dbraw/zinc/01/30/23/358013023.db2.gz OXMITHZKBOKLMF-RYUDHWBXSA-N 1 1 323.368 2.218 20 5 DEBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000593133659 358018539 /nfs/dbraw/zinc/01/85/39/358018539.db2.gz ALLDGJIXGBKQNB-KBPBESRZSA-N 1 1 321.352 2.019 20 5 DEBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000593133660 358018545 /nfs/dbraw/zinc/01/85/45/358018545.db2.gz ALLDGJIXGBKQNB-KGLIPLIRSA-N 1 1 321.352 2.019 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000594015023 358189186 /nfs/dbraw/zinc/18/91/86/358189186.db2.gz SQDZOGNDAMQIJV-CYBMUJFWSA-N 1 1 324.377 2.219 20 5 DEBDMO COc1ccc(OCCN2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000593984234 358184008 /nfs/dbraw/zinc/18/40/08/358184008.db2.gz NMGJUPLVHWXGQH-UHFFFAOYSA-N 1 1 323.393 2.008 20 5 DEBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594197144 358221481 /nfs/dbraw/zinc/22/14/81/358221481.db2.gz AHFSODDXVGKGLH-ZBFHGGJFSA-N 1 1 317.389 2.270 20 5 DEBDMO C[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594503217 358285355 /nfs/dbraw/zinc/28/53/55/358285355.db2.gz HCBQVMDHUNYTBE-GUYCJALGSA-N 1 1 319.405 2.499 20 5 DEBDMO CCc1nn(C)c(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594598673 358301968 /nfs/dbraw/zinc/30/19/68/358301968.db2.gz HFPFRROYYXKMMF-QWHCGFSZSA-N 1 1 307.398 2.320 20 5 DEBDMO Cc1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000594995068 358375037 /nfs/dbraw/zinc/37/50/37/358375037.db2.gz YYHISPRNYKNYPG-MRXNPFEDSA-N 1 1 319.405 2.246 20 5 DEBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000595671525 358517872 /nfs/dbraw/zinc/51/78/72/358517872.db2.gz SROWSURYAZTBOX-BBRMVZONSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595679793 358520707 /nfs/dbraw/zinc/52/07/07/358520707.db2.gz YHHULKPZCCIAQC-GXTWGEPZSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595679793 358520710 /nfs/dbraw/zinc/52/07/10/358520710.db2.gz YHHULKPZCCIAQC-GXTWGEPZSA-N 1 1 321.377 2.016 20 5 DEBDMO Cc1noc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388902 358437310 /nfs/dbraw/zinc/43/73/10/358437310.db2.gz YOMZZCZHCFBHLP-TZMCWYRMSA-N 1 1 320.393 2.340 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)n1 ZINC000595786439 358549263 /nfs/dbraw/zinc/54/92/63/358549263.db2.gz AGMGIJKCUNDCKO-ZIAGYGMSSA-N 1 1 308.382 2.072 20 5 DEBDMO COc1cc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])cc1F ZINC000595879798 358569856 /nfs/dbraw/zinc/56/98/56/358569856.db2.gz XFTUTDDEFOFZNU-MEBBXXQBSA-N 1 1 312.341 2.193 20 5 DEBDMO COc1cc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])cc1F ZINC000595879798 358569859 /nfs/dbraw/zinc/56/98/59/358569859.db2.gz XFTUTDDEFOFZNU-MEBBXXQBSA-N 1 1 312.341 2.193 20 5 DEBDMO O=C1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595735797 358536172 /nfs/dbraw/zinc/53/61/72/358536172.db2.gz CUMKSURNQOBAMR-GWCFXTLKSA-N 1 1 323.780 2.349 20 5 DEBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595735797 358536175 /nfs/dbraw/zinc/53/61/75/358536175.db2.gz CUMKSURNQOBAMR-GWCFXTLKSA-N 1 1 323.780 2.349 20 5 DEBDMO Cc1cc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596224289 358645235 /nfs/dbraw/zinc/64/52/35/358645235.db2.gz ZJLOHGISEUMWEE-SNVBAGLBSA-N 1 1 313.423 2.246 20 5 DEBDMO Cc1cc(N2CCC[C@@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000596246436 358651052 /nfs/dbraw/zinc/65/10/52/358651052.db2.gz FRBAIUQMGRTIBH-OAHLLOKOSA-N 1 1 305.378 2.204 20 5 DEBDMO CCc1nn(C)c(NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596307410 358664626 /nfs/dbraw/zinc/66/46/26/358664626.db2.gz MSMNIJXOORXKIV-LLVKDONJSA-N 1 1 309.414 2.423 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000597926108 359044496 /nfs/dbraw/zinc/04/44/96/359044496.db2.gz VOAJMWQWCZMCHO-LLVKDONJSA-N 1 1 321.377 2.206 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598627037 359266730 /nfs/dbraw/zinc/26/67/30/359266730.db2.gz NYXGBPDMHMUQKO-LLVKDONJSA-N 1 1 324.381 2.309 20 5 DEBDMO CN1CC[NH+](CCCSc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000618964523 363650747 /nfs/dbraw/zinc/65/07/47/363650747.db2.gz VGCCZQNCMOUUNV-UHFFFAOYSA-N 1 1 313.398 2.464 20 5 DEBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cnnn2CC)cc1[N+](=O)[O-] ZINC000599061995 359393564 /nfs/dbraw/zinc/39/35/64/359393564.db2.gz NOCQFCRUQIIBDP-LLVKDONJSA-N 1 1 319.365 2.456 20 5 DEBDMO CN1CCC([N@@H+]2CC[C@H](Nc3ccsc3[N+](=O)[O-])C2)CC1 ZINC000601116520 359927579 /nfs/dbraw/zinc/92/75/79/359927579.db2.gz MLHDWZDUDUQVAH-NSHDSACASA-N 1 1 310.423 2.237 20 5 DEBDMO CN1CCC([N@H+]2CC[C@H](Nc3ccsc3[N+](=O)[O-])C2)CC1 ZINC000601116520 359927582 /nfs/dbraw/zinc/92/75/82/359927582.db2.gz MLHDWZDUDUQVAH-NSHDSACASA-N 1 1 310.423 2.237 20 5 DEBDMO C[C@@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)c1nnc2n1CCC2 ZINC000601101596 359919576 /nfs/dbraw/zinc/91/95/76/359919576.db2.gz PQLVXHUXGVNKIU-SNVBAGLBSA-N 1 1 324.344 2.276 20 5 DEBDMO C[C@@H](CO[C@@H]1CCOC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601127998 359932735 /nfs/dbraw/zinc/93/27/35/359932735.db2.gz YICGVYUGKYTNBV-WCQYABFASA-N 1 1 317.345 2.171 20 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304.281 2.447 20 5 DEBDMO C[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000126596542 401700849 /nfs/dbraw/zinc/70/08/49/401700849.db2.gz PKEHLRJEDMRLKN-UHFFFAOYSA-N 1 1 312.757 2.418 20 5 DEBDMO CCCC[N@H+](CCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000076951379 401801664 /nfs/dbraw/zinc/80/16/64/401801664.db2.gz SCIVPECAYLEPHV-UHFFFAOYSA-N 1 1 320.349 2.239 20 5 DEBDMO CCCC[N@@H+](CCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000076951379 401801666 /nfs/dbraw/zinc/80/16/66/401801666.db2.gz SCIVPECAYLEPHV-UHFFFAOYSA-N 1 1 320.349 2.239 20 5 DEBDMO C[C@@H]1SCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000112645404 401752397 /nfs/dbraw/zinc/75/23/97/401752397.db2.gz OMGLXXOAHJSKLT-UWVGGRQHSA-N 1 1 309.391 2.020 20 5 DEBDMO C[C@@H]1SCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000112645404 401752398 /nfs/dbraw/zinc/75/23/98/401752398.db2.gz OMGLXXOAHJSKLT-UWVGGRQHSA-N 1 1 309.391 2.020 20 5 DEBDMO CO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000076348048 401792344 /nfs/dbraw/zinc/79/23/44/401792344.db2.gz YOIPRJUVSOPFJK-RISCZKNCSA-N 1 1 307.350 2.033 20 5 DEBDMO CO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000076348048 401792346 /nfs/dbraw/zinc/79/23/46/401792346.db2.gz YOIPRJUVSOPFJK-RISCZKNCSA-N 1 1 307.350 2.033 20 5 DEBDMO Cc1cccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000115439111 401827557 /nfs/dbraw/zinc/82/75/57/401827557.db2.gz UDFISSDCKLRKKY-CYBMUJFWSA-N 1 1 305.378 2.317 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000078678997 401861381 /nfs/dbraw/zinc/86/13/81/401861381.db2.gz YATOBJBROBXYGM-UHFFFAOYSA-N 1 1 322.409 2.243 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+]2[C@H](C)COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000077365302 401812245 /nfs/dbraw/zinc/81/22/45/401812245.db2.gz PFWMCFLOQYFMGR-TXEJJXNPSA-N 1 1 321.377 2.341 20 5 DEBDMO CNC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119098713 401925721 /nfs/dbraw/zinc/92/57/21/401925721.db2.gz YMATWYDWLFHSET-JTQLQIEISA-N 1 1 311.769 2.206 20 5 DEBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119098713 401925723 /nfs/dbraw/zinc/92/57/23/401925723.db2.gz YMATWYDWLFHSET-JTQLQIEISA-N 1 1 311.769 2.206 20 5 DEBDMO C[N@@H+](CCC1CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000135273932 401932904 /nfs/dbraw/zinc/93/29/04/401932904.db2.gz NZNCMMPLDRWQAN-OAHLLOKOSA-N 1 1 303.362 2.432 20 5 DEBDMO C[N@@H+](CCC1CC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000135272553 401932958 /nfs/dbraw/zinc/93/29/58/401932958.db2.gz ZPKADZYCJGQTMT-UHFFFAOYSA-N 1 1 303.362 2.216 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000119063638 401923218 /nfs/dbraw/zinc/92/32/18/401923218.db2.gz TTYKZMYKOKVPPS-UHFFFAOYSA-N 1 1 314.345 2.450 20 5 DEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000045753289 401961307 /nfs/dbraw/zinc/96/13/07/401961307.db2.gz AEKQYCMDROLOIT-AWEZNQCLSA-N 1 1 307.350 2.034 20 5 DEBDMO CC(C)O[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000566174005 292214649 /nfs/dbraw/zinc/21/46/49/292214649.db2.gz URFVADUXTIKZDS-CYBMUJFWSA-N 1 1 321.377 2.423 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000119386104 401946416 /nfs/dbraw/zinc/94/64/16/401946416.db2.gz GURKMEXQUBRHSK-GFCCVEGCSA-N 1 1 319.340 2.238 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000119386104 401946417 /nfs/dbraw/zinc/94/64/17/401946417.db2.gz GURKMEXQUBRHSK-GFCCVEGCSA-N 1 1 319.340 2.238 20 5 DEBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000122916710 402100603 /nfs/dbraw/zinc/10/06/03/402100603.db2.gz IMEONQJICIDTNX-OLZOCXBDSA-N 1 1 317.389 2.462 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153904756 402179306 /nfs/dbraw/zinc/17/93/06/402179306.db2.gz ZLLRCCKCLCFSKZ-WBMJQRKESA-N 1 1 319.361 2.034 20 5 DEBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000154034235 402188909 /nfs/dbraw/zinc/18/89/09/402188909.db2.gz ZKUQCXJMBUJHMX-AWEZNQCLSA-N 1 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ZINC000155063423 402243912 /nfs/dbraw/zinc/24/39/12/402243912.db2.gz HECCWZXBZDTXTK-PBHICJAKSA-N 1 1 320.437 2.271 20 5 DEBDMO O=C(CC[N@H+]1CCOC2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000154330275 402206539 /nfs/dbraw/zinc/20/65/39/402206539.db2.gz JPZZOJHKTWQBNH-UHFFFAOYSA-N 1 1 319.361 2.178 20 5 DEBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000068829594 402206814 /nfs/dbraw/zinc/20/68/14/402206814.db2.gz FSPJRJKMILSQKG-HIFRSBDPSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000184662403 402289792 /nfs/dbraw/zinc/28/97/92/402289792.db2.gz ZOZSJKUZMKKQDR-RYUDHWBXSA-N 1 1 314.349 2.027 20 5 DEBDMO C[C@@H](c1cnccn1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000184662403 402289796 /nfs/dbraw/zinc/28/97/96/402289796.db2.gz ZOZSJKUZMKKQDR-RYUDHWBXSA-N 1 1 314.349 2.027 20 5 DEBDMO COc1ccc(CCC[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176215697 402291220 /nfs/dbraw/zinc/29/12/20/402291220.db2.gz ZRZHJCQUQLGCTQ-UHFFFAOYSA-N 1 1 318.377 2.365 20 5 DEBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000161133669 402374878 /nfs/dbraw/zinc/37/48/78/402374878.db2.gz PFJLYNVILXFGRV-UHFFFAOYSA-N 1 1 304.350 2.229 20 5 DEBDMO Cc1cc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177189425 402379735 /nfs/dbraw/zinc/37/97/35/402379735.db2.gz NPQHNFSYYZVHBX-AAEUAGOBSA-N 1 1 303.362 2.258 20 5 DEBDMO COc1cccc(NC[C@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185148632 402328221 /nfs/dbraw/zinc/32/82/21/402328221.db2.gz RROVSMVIDIWIDB-CQSZACIVSA-N 1 1 323.393 2.372 20 5 DEBDMO CCN(C)C(=O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185185097 402331738 /nfs/dbraw/zinc/33/17/38/402331738.db2.gz RCPCEKCPQZMYKI-UHFFFAOYSA-N 1 1 317.345 2.423 20 5 DEBDMO COC(=O)[C@@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177452720 402403700 /nfs/dbraw/zinc/40/37/00/402403700.db2.gz IAUOJKQGEXKQCP-HNNXBMFYSA-N 1 1 319.317 2.121 20 5 DEBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177452720 402403704 /nfs/dbraw/zinc/40/37/04/402403704.db2.gz IAUOJKQGEXKQCP-HNNXBMFYSA-N 1 1 319.317 2.121 20 5 DEBDMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247296920 402562830 /nfs/dbraw/zinc/56/28/30/402562830.db2.gz GTABZOVHLHFSSB-TZMCWYRMSA-N 1 1 305.378 2.315 20 5 DEBDMO COc1ccc(OCC[N@@H+](CC(C)(C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000189863114 402563377 /nfs/dbraw/zinc/56/33/77/402563377.db2.gz LAHNCALXYVTNMQ-UHFFFAOYSA-N 1 1 324.377 2.218 20 5 DEBDMO COCCC[N@@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000189901728 402565733 /nfs/dbraw/zinc/56/57/33/402565733.db2.gz RWLUBHKDNHNSGJ-UHFFFAOYSA-N 1 1 302.758 2.079 20 5 DEBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000171299009 402575702 /nfs/dbraw/zinc/57/57/02/402575702.db2.gz XPADGAWACGYQOW-NSHDSACASA-N 1 1 322.361 2.377 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248675692 402602857 /nfs/dbraw/zinc/60/28/57/402602857.db2.gz YMQUHBMNXOAHGF-STQMWFEESA-N 1 1 307.398 2.040 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000171733250 402616229 /nfs/dbraw/zinc/61/62/29/402616229.db2.gz CTJHHBMAIVMEEX-NSHDSACASA-N 1 1 322.365 2.067 20 5 DEBDMO Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261884031 402718642 /nfs/dbraw/zinc/71/86/42/402718642.db2.gz MXVIVZKSEUUPOD-QWHCGFSZSA-N 1 1 312.373 2.497 20 5 DEBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000182172022 402669429 /nfs/dbraw/zinc/66/94/29/402669429.db2.gz NZHILFJKGXVMGW-LLVKDONJSA-N 1 1 300.318 2.279 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255002262 402674698 /nfs/dbraw/zinc/67/46/98/402674698.db2.gz UDNQERMWIJMLMX-PIZKADEWSA-N 1 1 303.362 2.066 20 5 DEBDMO CC(=O)NC[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255216338 402682165 /nfs/dbraw/zinc/68/21/65/402682165.db2.gz VHPQGTRQFHFPQD-GTBONMDNSA-N 1 1 317.389 2.456 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305.378 2.144 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000341578193 404048062 /nfs/dbraw/zinc/04/80/62/404048062.db2.gz DIEQHSANPCEIPA-OAHLLOKOSA-N 1 1 313.357 2.074 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000341801125 404181272 /nfs/dbraw/zinc/18/12/72/404181272.db2.gz SRXXWRIHYZUDEZ-NWDGAFQWSA-N 1 1 323.368 2.390 20 5 DEBDMO CCOCCO[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000355214329 404287454 /nfs/dbraw/zinc/28/74/54/404287454.db2.gz YHLFFLZUOFDCPQ-CQSZACIVSA-N 1 1 324.377 2.231 20 5 DEBDMO CCOCCO[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000355214329 404287463 /nfs/dbraw/zinc/28/74/63/404287463.db2.gz YHLFFLZUOFDCPQ-CQSZACIVSA-N 1 1 324.377 2.231 20 5 DEBDMO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000296833596 404333129 /nfs/dbraw/zinc/33/31/29/404333129.db2.gz WRCREDUISHGUHQ-CXAGYDPISA-N 1 1 319.405 2.044 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000290794311 404315011 /nfs/dbraw/zinc/31/50/11/404315011.db2.gz OJHFSJWVXMJEBV-LLVKDONJSA-N 1 1 308.382 2.226 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCC[N@H+]1C ZINC000345006827 404496146 /nfs/dbraw/zinc/49/61/46/404496146.db2.gz LLZFPWZQEXKSAI-ZYHUDNBSSA-N 1 1 316.361 2.289 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CC(F)(F)F ZINC000352538963 404443592 /nfs/dbraw/zinc/44/35/92/404443592.db2.gz RIDRVJIIFDYDFM-NSHDSACASA-N 1 1 306.284 2.382 20 5 DEBDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352542972 404445554 /nfs/dbraw/zinc/44/55/54/404445554.db2.gz APKCZVKTUZHOBO-LBPRGKRZSA-N 1 1 307.394 2.372 20 5 DEBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352542972 404445559 /nfs/dbraw/zinc/44/55/59/404445559.db2.gz APKCZVKTUZHOBO-LBPRGKRZSA-N 1 1 307.394 2.372 20 5 DEBDMO CCc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330569610 404691300 /nfs/dbraw/zinc/69/13/00/404691300.db2.gz CJRJRLYZVJFNAV-NEPJUHHUSA-N 1 1 305.378 2.322 20 5 DEBDMO CCc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330569610 404691302 /nfs/dbraw/zinc/69/13/02/404691302.db2.gz CJRJRLYZVJFNAV-NEPJUHHUSA-N 1 1 305.378 2.322 20 5 DEBDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000374075713 404686983 /nfs/dbraw/zinc/68/69/83/404686983.db2.gz WDEHFTLXGXSODM-COMQUAJESA-N 1 1 322.409 2.090 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000330583164 404693069 /nfs/dbraw/zinc/69/30/69/404693069.db2.gz VANOHRORPZZLCA-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000330583164 404693071 /nfs/dbraw/zinc/69/30/71/404693071.db2.gz VANOHRORPZZLCA-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO CC(=O)c1ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000365588505 404695588 /nfs/dbraw/zinc/69/55/88/404695588.db2.gz MUBDTPSOGJHAFG-KBPBESRZSA-N 1 1 319.361 2.073 20 5 DEBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000353395683 404822059 /nfs/dbraw/zinc/82/20/59/404822059.db2.gz QTHMBFGEWKAMMU-IUODEOHRSA-N 1 1 316.361 2.044 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCc1cn2c([nH+]1)CCCC2 ZINC000360881874 404843799 /nfs/dbraw/zinc/84/37/99/404843799.db2.gz XJWYZBDEILRXFQ-UHFFFAOYSA-N 1 1 318.381 2.307 20 5 DEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C1CC(O)C1 ZINC000353495743 404846934 /nfs/dbraw/zinc/84/69/34/404846934.db2.gz OPEMKZGQBHYSBV-ALXWSUNGSA-N 1 1 318.333 2.161 20 5 DEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C1CC(O)C1 ZINC000353495743 404846936 /nfs/dbraw/zinc/84/69/36/404846936.db2.gz OPEMKZGQBHYSBV-ALXWSUNGSA-N 1 1 318.333 2.161 20 5 DEBDMO CCOc1cc(C[N@H+]2CC[C@@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000366917825 404869961 /nfs/dbraw/zinc/86/99/61/404869961.db2.gz QTHJLUSAQXRMBJ-INIZCTEOSA-N 1 1 306.362 2.340 20 5 DEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000361210197 404975557 /nfs/dbraw/zinc/97/55/57/404975557.db2.gz KAGZMENBSZATIS-HIFRSBDPSA-N 1 1 319.405 2.326 20 5 DEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000361210197 404975564 /nfs/dbraw/zinc/97/55/64/404975564.db2.gz KAGZMENBSZATIS-HIFRSBDPSA-N 1 1 319.405 2.326 20 5 DEBDMO Cc1ccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000378491733 404981502 /nfs/dbraw/zinc/98/15/02/404981502.db2.gz GMAZOBVPZOTACS-SWLSCSKDSA-N 1 1 318.377 2.461 20 5 DEBDMO COc1ccc(OCCN(C)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435620634 404997082 /nfs/dbraw/zinc/99/70/82/404997082.db2.gz DUKOHFPJMNFFBL-ZDUSSCGKSA-N 1 1 323.393 2.056 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CCCO)C1 ZINC000452137159 405192785 /nfs/dbraw/zinc/19/27/85/405192785.db2.gz ZKBPIJRQEJETOO-OLZOCXBDSA-N 1 1 321.377 2.016 20 5 DEBDMO COC(=O)C1(C)C[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000425374764 405282149 /nfs/dbraw/zinc/28/21/49/405282149.db2.gz RCGBQQXRROVREN-GHXNOFRVSA-N 1 1 304.346 2.493 20 5 DEBDMO COCCCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419384310 405247004 /nfs/dbraw/zinc/24/70/04/405247004.db2.gz KCNXNGRIQJFXLW-UHFFFAOYSA-N 1 1 309.366 2.282 20 5 DEBDMO Cc1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000440492167 405314200 /nfs/dbraw/zinc/31/42/00/405314200.db2.gz SSRNWNZHGIYQLT-CQSZACIVSA-N 1 1 313.361 2.380 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000425479461 405297339 /nfs/dbraw/zinc/29/73/39/405297339.db2.gz OCPWSIGRQCAIEQ-MRXNPFEDSA-N 1 1 307.394 2.246 20 5 DEBDMO CC(C)[C@H]1CN(C)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000425479461 405297341 /nfs/dbraw/zinc/29/73/41/405297341.db2.gz OCPWSIGRQCAIEQ-MRXNPFEDSA-N 1 1 307.394 2.246 20 5 DEBDMO CC(C)[C@H]1CN(C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000425479461 405297342 /nfs/dbraw/zinc/29/73/42/405297342.db2.gz OCPWSIGRQCAIEQ-MRXNPFEDSA-N 1 1 307.394 2.246 20 5 DEBDMO CCOc1cc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000420932202 405408773 /nfs/dbraw/zinc/40/87/73/405408773.db2.gz DVOHPGLGJHIDID-TZMCWYRMSA-N 1 1 308.378 2.444 20 5 DEBDMO CN(C(=O)C[N@H+]1CC[C@H]2CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000426461741 405361682 /nfs/dbraw/zinc/36/16/82/405361682.db2.gz TUFFXRMHNYURLJ-IUODEOHRSA-N 1 1 303.362 2.432 20 5 DEBDMO O=C(C[N@H+]1CCC[C@@H](CCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000421020714 405431897 /nfs/dbraw/zinc/43/18/97/405431897.db2.gz RRLLKIIKMTXWRS-CYBMUJFWSA-N 1 1 321.377 2.018 20 5 DEBDMO O=C(C[N@@H+]1CCC[C@@H](CCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000421020714 405431899 /nfs/dbraw/zinc/43/18/99/405431899.db2.gz RRLLKIIKMTXWRS-CYBMUJFWSA-N 1 1 321.377 2.018 20 5 DEBDMO CC(C)O[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000580069567 405580028 /nfs/dbraw/zinc/58/00/28/405580028.db2.gz LQJHGBKGVLBVLW-IUODEOHRSA-N 1 1 321.377 2.421 20 5 DEBDMO CC(C)O[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000580069567 405580037 /nfs/dbraw/zinc/58/00/37/405580037.db2.gz LQJHGBKGVLBVLW-IUODEOHRSA-N 1 1 321.377 2.421 20 5 DEBDMO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000494265082 405669797 /nfs/dbraw/zinc/66/97/97/405669797.db2.gz MLKDXUHWNATHII-MEBBXXQBSA-N 1 1 318.333 2.302 20 5 DEBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457123537 405712308 /nfs/dbraw/zinc/71/23/08/405712308.db2.gz PCZNNQSUXKXJIH-ZDUSSCGKSA-N 1 1 321.377 2.158 20 5 DEBDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000457137190 405719530 /nfs/dbraw/zinc/71/95/30/405719530.db2.gz XCSMTRCXAZJAOU-AWEZNQCLSA-N 1 1 305.378 2.458 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000583608663 405771231 /nfs/dbraw/zinc/77/12/31/405771231.db2.gz FQPPZMZPTNSQQW-KGLIPLIRSA-N 1 1 317.389 2.296 20 5 DEBDMO COc1ccc2c(c1)CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000531382200 405951051 /nfs/dbraw/zinc/95/10/51/405951051.db2.gz UNOWNPFEOMBXTL-UHFFFAOYSA-N 1 1 316.361 2.248 20 5 DEBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCC1 ZINC000532976930 406112894 /nfs/dbraw/zinc/11/28/94/406112894.db2.gz SPOBIDIQGIBLCT-UHFFFAOYSA-N 1 1 307.350 2.416 20 5 DEBDMO COC(C)(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000533342420 406137240 /nfs/dbraw/zinc/13/72/40/406137240.db2.gz UIGKRANYLBKINR-NSHDSACASA-N 1 1 309.366 2.279 20 5 DEBDMO COC(C)(C)C[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000533344686 406138206 /nfs/dbraw/zinc/13/82/06/406138206.db2.gz PRTLQDHAJBKBPK-UHFFFAOYSA-N 1 1 309.366 2.199 20 5 DEBDMO COC(C)(C)C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000533344686 406138212 /nfs/dbraw/zinc/13/82/12/406138212.db2.gz PRTLQDHAJBKBPK-UHFFFAOYSA-N 1 1 309.366 2.199 20 5 DEBDMO CO[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000488516687 406326913 /nfs/dbraw/zinc/32/69/13/406326913.db2.gz BZQUWFLOZJASKN-ZFSVZOPNSA-N 1 1 306.362 2.344 20 5 DEBDMO C[C@@H]1[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000488130589 406296665 /nfs/dbraw/zinc/29/66/65/406296665.db2.gz SSBWJYGSBCNVEA-DGCLKSJQSA-N 1 1 300.362 2.460 20 5 DEBDMO CCC1CCC([N@@H+](CCO)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000488187340 406300173 /nfs/dbraw/zinc/30/01/73/406300173.db2.gz NHSRIZHMOCFQCG-UHFFFAOYSA-N 1 1 310.398 2.054 20 5 DEBDMO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000523732840 406434644 /nfs/dbraw/zinc/43/46/44/406434644.db2.gz HCYLZXXXYVGUAS-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000523732840 406434650 /nfs/dbraw/zinc/43/46/50/406434650.db2.gz HCYLZXXXYVGUAS-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000524720094 406454787 /nfs/dbraw/zinc/45/47/87/406454787.db2.gz XPBHAJSVRJKPSW-LLVKDONJSA-N 1 1 316.361 2.148 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000525803719 406504157 /nfs/dbraw/zinc/50/41/57/406504157.db2.gz FMPXPHJZQDSVMP-NSHDSACASA-N 1 1 317.345 2.413 20 5 DEBDMO CC[N@@H+](CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000491530625 406611886 /nfs/dbraw/zinc/61/18/86/406611886.db2.gz CFAXNRKHVXTIJG-YWEYNIOJSA-N 1 1 321.352 2.348 20 5 DEBDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491534176 406613035 /nfs/dbraw/zinc/61/30/35/406613035.db2.gz UGUYJAVXKCXFLF-RNZFLTOJSA-N 1 1 321.352 2.157 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134437048 196390874 /nfs/dbraw/zinc/39/08/74/196390874.db2.gz GFKMJILGIWIKLD-NSHDSACASA-N 1 1 309.341 2.148 20 5 DEBDMO C[C@@H]1COCCN1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000193001597 225148023 /nfs/dbraw/zinc/14/80/23/225148023.db2.gz LHBUISCKJNHCEA-CQSZACIVSA-N 1 1 319.405 2.280 20 5 DEBDMO CCN(C)C(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290941291 222017501 /nfs/dbraw/zinc/01/75/01/222017501.db2.gz TYDFVLGHQOXRRK-UHFFFAOYSA-N 1 1 320.176 2.470 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000299227315 229005393 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ZINC000573335497 326047791 /nfs/dbraw/zinc/04/77/91/326047791.db2.gz VECLLMIQMCPNPP-CYBMUJFWSA-N 1 1 323.418 2.393 20 5 DEBDMO CC(C)Oc1nc(N(C)C[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000576480077 326297133 /nfs/dbraw/zinc/29/71/33/326297133.db2.gz TZSUOHZWZLAKJB-LBPRGKRZSA-N 1 1 308.382 2.307 20 5 DEBDMO CC(=O)NCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000582666836 337118161 /nfs/dbraw/zinc/11/81/61/337118161.db2.gz JKYYOCWLYDKOKB-UHFFFAOYSA-N 1 1 317.345 2.423 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000331328141 534102132 /nfs/dbraw/zinc/10/21/32/534102132.db2.gz QNJUHYDQOZIAMK-JSGCOSHPSA-N 1 1 305.378 2.126 20 5 DEBDMO CCN(C)C(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000130733052 520142048 /nfs/dbraw/zinc/14/20/48/520142048.db2.gz XYSPBPSTSDYWOY-UHFFFAOYSA-N 1 1 305.378 2.428 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000159908771 521635657 /nfs/dbraw/zinc/63/56/57/521635657.db2.gz RGKRAEJNJMYAHC-CQSZACIVSA-N 1 1 305.378 2.046 20 5 DEBDMO C[N@@H+](CCCn1ccnc1)CCOc1ccccc1[N+](=O)[O-] ZINC000124449113 522804127 /nfs/dbraw/zinc/80/41/27/522804127.db2.gz OVBMVGNURYPDHO-UHFFFAOYSA-N 1 1 304.350 2.192 20 5 DEBDMO COC[C@H]1CCCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000364127486 522818931 /nfs/dbraw/zinc/81/89/31/522818931.db2.gz OARVYWHYIYIKJJ-XJKSGUPXSA-N 1 1 308.378 2.377 20 5 DEBDMO CC1(C)CN(c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCO ZINC000302500092 529128964 /nfs/dbraw/zinc/12/89/64/529128964.db2.gz CQYMZKRXWZDFOR-UHFFFAOYSA-N 1 1 313.785 2.141 20 5 DEBDMO CC1(C)CN(c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCO ZINC000302500092 529128967 /nfs/dbraw/zinc/12/89/67/529128967.db2.gz CQYMZKRXWZDFOR-UHFFFAOYSA-N 1 1 313.785 2.141 20 5 DEBDMO CC[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331720987 529220160 /nfs/dbraw/zinc/22/01/60/529220160.db2.gz KKZCZEQDZNJWMF-ZDUSSCGKSA-N 1 1 303.362 2.358 20 5 DEBDMO CC[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331742163 529301494 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XFFRBVKAYFZSNI-QKPAOTATSA-N 1 1 323.437 2.249 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000933560553 624495628 /nfs/dbraw/zinc/49/56/28/624495628.db2.gz VFGMVBCPUJSBQA-SNVBAGLBSA-N 1 1 309.391 2.093 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000933560553 624495629 /nfs/dbraw/zinc/49/56/29/624495629.db2.gz VFGMVBCPUJSBQA-SNVBAGLBSA-N 1 1 309.391 2.093 20 5 DEBDMO O=C1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCCCCN1 ZINC000934153999 624754705 /nfs/dbraw/zinc/75/47/05/624754705.db2.gz WNOBTUJRYCVTPG-UHFFFAOYSA-N 1 1 309.341 2.226 20 5 DEBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1c1ccccc1 ZINC000934322036 624842054 /nfs/dbraw/zinc/84/20/54/624842054.db2.gz XMPUJUWPJVYPOL-CQSZACIVSA-N 1 1 315.377 2.002 20 5 DEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000892555426 625145674 /nfs/dbraw/zinc/14/56/74/625145674.db2.gz TVTSBEBKYQSOAF-LLVKDONJSA-N 1 1 308.338 2.281 20 5 DEBDMO Cc1cc(F)cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000836939243 650146782 /nfs/dbraw/zinc/14/67/82/650146782.db2.gz QIYCCFZEAWVNFZ-YHWZYXNKSA-N 1 1 321.352 2.397 20 5 DEBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000837398000 650194332 /nfs/dbraw/zinc/19/43/32/650194332.db2.gz DVCFOTHOTURCIP-GFCCVEGCSA-N 1 1 309.366 2.353 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893833971 636040720 /nfs/dbraw/zinc/04/07/20/636040720.db2.gz SMIBVNTYUZWRLJ-FOSCPWQOSA-N 1 1 306.366 2.060 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCSC[C@H](C)C2)c1[N+](=O)[O-] ZINC000894011025 636086217 /nfs/dbraw/zinc/08/62/17/636086217.db2.gz ZYRJPSGZMYFPQJ-SNVBAGLBSA-N 1 1 312.391 2.494 20 5 DEBDMO C[C@H](NC(=O)NCC[N@H+]1CC[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000894016181 636092984 /nfs/dbraw/zinc/09/29/84/636092984.db2.gz NHINKPPMXNREJU-STQMWFEESA-N 1 1 320.393 2.297 20 5 DEBDMO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000788080884 636752207 /nfs/dbraw/zinc/75/22/07/636752207.db2.gz NRLDZJCKEMIKKZ-LLVKDONJSA-N 1 1 321.308 2.277 20 5 DEBDMO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000788080884 636752212 /nfs/dbraw/zinc/75/22/12/636752212.db2.gz NRLDZJCKEMIKKZ-LLVKDONJSA-N 1 1 321.308 2.277 20 5 DEBDMO COc1c(O)ccc(CN[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000894548427 637102446 /nfs/dbraw/zinc/10/24/46/637102446.db2.gz HSTLFWBUSWJSOX-LLVKDONJSA-N 1 1 311.382 2.127 20 5 DEBDMO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000894639662 637145405 /nfs/dbraw/zinc/14/54/05/637145405.db2.gz QVOBVADKZPMSTL-CYBMUJFWSA-N 1 1 301.350 2.015 20 5 DEBDMO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928432206 637192164 /nfs/dbraw/zinc/19/21/64/637192164.db2.gz QIEXYQXHGHOOFQ-YPMHNXCESA-N 1 1 321.377 2.204 20 5 DEBDMO C[N@H+]1CCN(c2ccc3nonc3c2[N+](=O)[O-])CCC1(C)C ZINC000894988920 637363347 /nfs/dbraw/zinc/36/33/47/637363347.db2.gz MSMVVVOYKCXOEM-UHFFFAOYSA-N 1 1 305.338 2.052 20 5 DEBDMO CCCN(Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000895102589 637561792 /nfs/dbraw/zinc/56/17/92/637561792.db2.gz YAUWYPUDXDLXMF-ZDUSSCGKSA-N 1 1 323.393 2.225 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839392551 637865585 /nfs/dbraw/zinc/86/55/85/637865585.db2.gz JXJVYXYSXUJOIN-NSHDSACASA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839392551 637865591 /nfs/dbraw/zinc/86/55/91/637865591.db2.gz JXJVYXYSXUJOIN-NSHDSACASA-N 1 1 311.769 2.414 20 5 DEBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])c2nonc21 ZINC000742419107 638070499 /nfs/dbraw/zinc/07/04/99/638070499.db2.gz SAINHWQBEVWUOI-LLVKDONJSA-N 1 1 319.365 2.442 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000895571101 638086360 /nfs/dbraw/zinc/08/63/60/638086360.db2.gz BIXAMPXJYYWNFN-CHWSQXEVSA-N 1 1 308.407 2.290 20 5 DEBDMO C[C@@H]1[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC[N@H+]1C ZINC000895736053 638177781 /nfs/dbraw/zinc/17/77/81/638177781.db2.gz ZYVVLZUJHVMANX-SKDRFNHKSA-N 1 1 304.325 2.209 20 5 DEBDMO C[C@@](CO)([NH2+]Cc1ccc(O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000895752576 638180985 /nfs/dbraw/zinc/18/09/85/638180985.db2.gz JZHSFCACNFRUJD-INIZCTEOSA-N 1 1 320.320 2.437 20 5 DEBDMO CC[C@H]1C[C@@H](C)C[N@@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000744443209 638220829 /nfs/dbraw/zinc/22/08/29/638220829.db2.gz IFWCKQWUCBSNBI-MNOVXSKESA-N 1 1 317.345 2.269 20 5 DEBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000744443209 638220834 /nfs/dbraw/zinc/22/08/34/638220834.db2.gz IFWCKQWUCBSNBI-MNOVXSKESA-N 1 1 317.345 2.269 20 5 DEBDMO O=C1CC2(CCC2)[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1 ZINC000895929062 638272640 /nfs/dbraw/zinc/27/26/40/638272640.db2.gz UROWVGIJUHHXFF-ZZXKWVIFSA-N 1 1 315.373 2.353 20 5 DEBDMO CCc1nn(C)c(NCCn2cc[nH+]c2C(C)C)c1[N+](=O)[O-] ZINC000895988068 638298508 /nfs/dbraw/zinc/29/85/08/638298508.db2.gz OXURDCLEDWEOLX-UHFFFAOYSA-N 1 1 306.370 2.323 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1[N+](=O)[O-] ZINC000896045054 638322840 /nfs/dbraw/zinc/32/28/40/638322840.db2.gz CHQQHMYVQJRSKL-PHIMTYICSA-N 1 1 310.375 2.104 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000747576950 638451619 /nfs/dbraw/zinc/45/16/19/638451619.db2.gz XVYQTBILSVXMKV-GFCCVEGCSA-N 1 1 307.350 2.208 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000749688111 638671464 /nfs/dbraw/zinc/67/14/64/638671464.db2.gz IWQVQOSIARSMFK-UKPHBRMFSA-N 1 1 321.421 2.433 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000749800620 638683561 /nfs/dbraw/zinc/68/35/61/638683561.db2.gz RZLOJBWECFRSGY-OLZOCXBDSA-N 1 1 316.361 2.260 20 5 DEBDMO Cc1nn(C[N@H+]2CCC[C@@H]2C2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749950703 638696624 /nfs/dbraw/zinc/69/66/24/638696624.db2.gz NTKIVHWVJDLEOB-CQSZACIVSA-N 1 1 301.350 2.480 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000751387384 639077370 /nfs/dbraw/zinc/07/73/70/639077370.db2.gz RWBBMLQALXIJGJ-NSHDSACASA-N 1 1 309.341 2.196 20 5 DEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCC(C)(C)C1 ZINC000897249454 639279594 /nfs/dbraw/zinc/27/95/94/639279594.db2.gz VNOYLQYDZJKTND-UHFFFAOYSA-N 1 1 320.393 2.098 20 5 DEBDMO Cc1nn(C[N@H+]2CCC3(CCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000758393150 639955133 /nfs/dbraw/zinc/95/51/33/639955133.db2.gz FHVLTTUDCRGJTD-UHFFFAOYSA-N 1 1 301.350 2.481 20 5 DEBDMO CCC1(O)CC[NH+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000761293201 640295120 /nfs/dbraw/zinc/29/51/20/640295120.db2.gz SWWYQSDGINZACE-UHFFFAOYSA-N 1 1 318.377 2.447 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1ccc([N+](=O)[O-])cc1N ZINC000761732621 640340882 /nfs/dbraw/zinc/34/08/82/640340882.db2.gz NSJBIVKPHNJBJY-LLVKDONJSA-N 1 1 307.350 2.208 20 5 DEBDMO CC1=CC[N@@H+](CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000762707751 640452984 /nfs/dbraw/zinc/45/29/84/640452984.db2.gz LTWCAAONBODZPC-UHFFFAOYSA-N 1 1 307.325 2.116 20 5 DEBDMO C[C@H](CCN(C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765451969 640779902 /nfs/dbraw/zinc/77/99/02/640779902.db2.gz URMIYVQFAIMXJM-CQSZACIVSA-N 1 1 320.437 2.493 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765789565 640818642 /nfs/dbraw/zinc/81/86/42/640818642.db2.gz BAOGPMUHEMQCQR-IMJJTQAJSA-N 1 1 319.405 2.417 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000771867793 641563183 /nfs/dbraw/zinc/56/31/83/641563183.db2.gz JEWDRSHAZSGEOM-QPJJXVBHSA-N 1 1 301.302 2.356 20 5 DEBDMO C[C@@H]1[C@H](C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000899218926 641995813 /nfs/dbraw/zinc/99/58/13/641995813.db2.gz NCNUPODFCMBXTC-ZWNOBZJWSA-N 1 1 314.345 2.422 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776277571 642153244 /nfs/dbraw/zinc/15/32/44/642153244.db2.gz OCZAULQMLLJGQO-RRQGHBQHSA-N 1 1 321.421 2.433 20 5 DEBDMO COc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000776590814 642189552 /nfs/dbraw/zinc/18/95/52/642189552.db2.gz LDUGVAYGGMLONW-OAHLLOKOSA-N 1 1 317.345 2.164 20 5 DEBDMO C[C@@H]1C[C@@H](N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000776591568 642190282 /nfs/dbraw/zinc/19/02/82/642190282.db2.gz KHFSUZKYRXCJHR-UHOFOFEASA-N 1 1 307.394 2.043 20 5 DEBDMO C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776591568 642190286 /nfs/dbraw/zinc/19/02/86/642190286.db2.gz KHFSUZKYRXCJHR-UHOFOFEASA-N 1 1 307.394 2.043 20 5 DEBDMO C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776591568 642190288 /nfs/dbraw/zinc/19/02/88/642190288.db2.gz KHFSUZKYRXCJHR-UHOFOFEASA-N 1 1 307.394 2.043 20 5 DEBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900241259 642298052 /nfs/dbraw/zinc/29/80/52/642298052.db2.gz RAGSZPMWXYSOOC-UKRRQHHQSA-N 1 1 303.362 2.228 20 5 DEBDMO C[C@H](C1CC1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000777828473 642310864 /nfs/dbraw/zinc/31/08/64/642310864.db2.gz PCOHZUNPCAIHSE-SNVBAGLBSA-N 1 1 309.391 2.213 20 5 DEBDMO COC[C@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777956713 642325146 /nfs/dbraw/zinc/32/51/46/642325146.db2.gz LINHUTAJTHRLSF-ZDUSSCGKSA-N 1 1 316.361 2.384 20 5 DEBDMO Cc1nn(C[N@@H+]2CC[C@H](c3cccnc3)C2)c(C)c1[N+](=O)[O-] ZINC000842622986 650784800 /nfs/dbraw/zinc/78/48/00/650784800.db2.gz RPZTZBKAOIGSBR-AWEZNQCLSA-N 1 1 301.350 2.250 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@H](c3cccnc3)C2)c(C)c1[N+](=O)[O-] ZINC000842622986 650784801 /nfs/dbraw/zinc/78/48/01/650784801.db2.gz RPZTZBKAOIGSBR-AWEZNQCLSA-N 1 1 301.350 2.250 20 5 DEBDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000902639060 643094624 /nfs/dbraw/zinc/09/46/24/643094624.db2.gz QUYLZJXAGWNHQR-CABCVRRESA-N 1 1 304.350 2.320 20 5 DEBDMO C[NH+]1CCC(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000788474288 643613806 /nfs/dbraw/zinc/61/38/06/643613806.db2.gz QDYUBDOVVQKTNH-UHFFFAOYSA-N 1 1 318.421 2.059 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000789544516 643746709 /nfs/dbraw/zinc/74/67/09/643746709.db2.gz GMMFDMLUMRLOJH-MRXNPFEDSA-N 1 1 316.361 2.405 20 5 DEBDMO C[N@@H+](Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)C(C)(C)C ZINC000905056699 643781985 /nfs/dbraw/zinc/78/19/85/643781985.db2.gz CTFOYLBMFFJZKU-UHFFFAOYSA-N 1 1 303.366 2.465 20 5 DEBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000790431208 643851659 /nfs/dbraw/zinc/85/16/59/643851659.db2.gz NZTSMTXQXAKERW-MAZHCROVSA-N 1 1 308.378 2.254 20 5 DEBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000791558287 643999290 /nfs/dbraw/zinc/99/92/90/643999290.db2.gz QKMIZYKYUMESBG-LYRGGWFBSA-N 1 1 306.362 2.128 20 5 DEBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000791558287 643999293 /nfs/dbraw/zinc/99/92/93/643999293.db2.gz QKMIZYKYUMESBG-LYRGGWFBSA-N 1 1 306.362 2.128 20 5 DEBDMO C[N@@H+](Cc1cn(Cc2ccccc2[N+](=O)[O-])nn1)C(C)(C)C ZINC000905784315 644048739 /nfs/dbraw/zinc/04/87/39/644048739.db2.gz RDBXJCWKUHAJOM-UHFFFAOYSA-N 1 1 303.366 2.465 20 5 DEBDMO CSCC[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843219133 650931649 /nfs/dbraw/zinc/93/16/49/650931649.db2.gz XEIYINIWDRJGRV-LURJTMIESA-N 1 1 300.365 2.459 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000910029256 645288749 /nfs/dbraw/zinc/28/87/49/645288749.db2.gz YRQNPEIBTYVSIN-GJZGRUSLSA-N 1 1 315.329 2.447 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000910029257 645288876 /nfs/dbraw/zinc/28/88/76/645288876.db2.gz YRQNPEIBTYVSIN-HUUCEWRRSA-N 1 1 315.329 2.447 20 5 DEBDMO COCCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801525843 645409109 /nfs/dbraw/zinc/40/91/09/645409109.db2.gz PRDDWZBCLMEUOP-ZDUSSCGKSA-N 1 1 312.341 2.361 20 5 DEBDMO COCCO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801525843 645409115 /nfs/dbraw/zinc/40/91/15/645409115.db2.gz PRDDWZBCLMEUOP-ZDUSSCGKSA-N 1 1 312.341 2.361 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000843769163 651026566 /nfs/dbraw/zinc/02/65/66/651026566.db2.gz UYUCSOJAJMBDRW-RYUDHWBXSA-N 1 1 321.352 2.399 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000843809783 651033432 /nfs/dbraw/zinc/03/34/32/651033432.db2.gz ABWDDYHNHZMJGH-JTQLQIEISA-N 1 1 309.341 2.114 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C1 ZINC000843809496 651033445 /nfs/dbraw/zinc/03/34/45/651033445.db2.gz NFOINMQDEBBKKO-GFCCVEGCSA-N 1 1 323.368 2.456 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000843902876 651046122 /nfs/dbraw/zinc/04/61/22/651046122.db2.gz AEWNNBYARWFFQB-YOGCLGLASA-N 1 1 321.352 2.397 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000843847223 651039186 /nfs/dbraw/zinc/03/91/86/651039186.db2.gz ZWSRAVXBSYKXPV-ZJUUUORDSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000843847223 651039188 /nfs/dbraw/zinc/03/91/88/651039188.db2.gz ZWSRAVXBSYKXPV-ZJUUUORDSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1nn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C)c1[N+](=O)[O-] ZINC000840116643 645989757 /nfs/dbraw/zinc/98/97/57/645989757.db2.gz PXMNWZZVZAICFV-ZNMIVQPWSA-N 1 1 322.409 2.381 20 5 DEBDMO CCC[C@@]1(CO)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000808796984 646143964 /nfs/dbraw/zinc/14/39/64/646143964.db2.gz XETKIWMCRMSAMZ-HZPDHXFCSA-N 1 1 308.378 2.113 20 5 DEBDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809768076 646280814 /nfs/dbraw/zinc/28/08/14/646280814.db2.gz BNNHXXKPYXRPMT-LBPRGKRZSA-N 1 1 316.785 2.466 20 5 DEBDMO Cc1cnn([C@@H]2CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000810121953 646326845 /nfs/dbraw/zinc/32/68/45/646326845.db2.gz UVDKVSYBHXSCTQ-HZPDHXFCSA-N 1 1 316.361 2.080 20 5 DEBDMO Cc1cnn([C@@H]2CC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000810121951 646326863 /nfs/dbraw/zinc/32/68/63/646326863.db2.gz UVDKVSYBHXSCTQ-CVEARBPZSA-N 1 1 316.361 2.080 20 5 DEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849160 646705836 /nfs/dbraw/zinc/70/58/36/646705836.db2.gz OKGJOFGQLKBVEB-CZUORRHYSA-N 1 1 318.377 2.235 20 5 DEBDMO C[N@@H+](CCc1ccncc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351341 646725171 /nfs/dbraw/zinc/72/51/71/646725171.db2.gz SJLSHKMIXWVVIR-INIZCTEOSA-N 1 1 301.346 2.198 20 5 DEBDMO CCO[C@H](C)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171544 646743417 /nfs/dbraw/zinc/74/34/17/646743417.db2.gz YOEZXLHQQRXMIY-DOMZBBRYSA-N 1 1 322.361 2.137 20 5 DEBDMO CCO[C@H](C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171544 646743421 /nfs/dbraw/zinc/74/34/21/646743421.db2.gz YOEZXLHQQRXMIY-DOMZBBRYSA-N 1 1 322.361 2.137 20 5 DEBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000814173927 646858372 /nfs/dbraw/zinc/85/83/72/646858372.db2.gz SYEYFZISMPIFLA-RXUCBAAJSA-N 1 1 316.357 2.349 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC2)OCCCO3)cc1F ZINC000815157052 646982004 /nfs/dbraw/zinc/98/20/04/646982004.db2.gz ZWZHFUMWRAIIOE-UHFFFAOYSA-N 1 1 310.325 2.463 20 5 DEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000816949741 647203654 /nfs/dbraw/zinc/20/36/54/647203654.db2.gz CSECMTDIXMDUDJ-ZANVPECISA-N 1 1 309.753 2.024 20 5 DEBDMO Cc1cc(F)cc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000817490292 647304024 /nfs/dbraw/zinc/30/40/24/647304024.db2.gz BWBFUVQQSWTZBL-GFCCVEGCSA-N 1 1 309.341 2.209 20 5 DEBDMO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818984351 647558068 /nfs/dbraw/zinc/55/80/68/647558068.db2.gz FJVCOHQLIQNBPN-RHSMWYFYSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818984351 647558073 /nfs/dbraw/zinc/55/80/73/647558073.db2.gz FJVCOHQLIQNBPN-RHSMWYFYSA-N 1 1 321.421 2.338 20 5 DEBDMO C[N@@H+](CCNC[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819017721 647564880 /nfs/dbraw/zinc/56/48/80/647564880.db2.gz KVMAXIOHRCATMT-INIZCTEOSA-N 1 1 307.394 2.092 20 5 DEBDMO CN(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819017721 647564885 /nfs/dbraw/zinc/56/48/85/647564885.db2.gz KVMAXIOHRCATMT-INIZCTEOSA-N 1 1 307.394 2.092 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000819173956 647600665 /nfs/dbraw/zinc/60/06/65/647600665.db2.gz QMGALWBXRMCFSO-UONOGXRCSA-N 1 1 302.334 2.019 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000819173954 647601108 /nfs/dbraw/zinc/60/11/08/647601108.db2.gz QMGALWBXRMCFSO-KBPBESRZSA-N 1 1 302.334 2.019 20 5 DEBDMO Cc1[nH+]ccn1-c1ccc(CNc2cccnc2[N+](=O)[O-])cn1 ZINC000917093931 647968332 /nfs/dbraw/zinc/96/83/32/647968332.db2.gz WQZPIDCQONHXEX-UHFFFAOYSA-N 1 1 310.317 2.491 20 5 DEBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(C(N)=O)c1 ZINC000918188607 648063089 /nfs/dbraw/zinc/06/30/89/648063089.db2.gz AIHDWPUGDMQADH-UHFFFAOYSA-N 1 1 313.357 2.368 20 5 DEBDMO C[N@H+]1CCC[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000918542485 648086577 /nfs/dbraw/zinc/08/65/77/648086577.db2.gz ZLMHFUWMBXLRRP-JTQLQIEISA-N 1 1 312.757 2.464 20 5 DEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822721005 648271302 /nfs/dbraw/zinc/27/13/02/648271302.db2.gz OMUKLSAZPAEQJL-ZDUSSCGKSA-N 1 1 313.442 2.449 20 5 DEBDMO CC[N@@H+]1C[C@H](NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000921406690 648307035 /nfs/dbraw/zinc/30/70/35/648307035.db2.gz MTLAVVBRIXJPLK-ZOWXZIJZSA-N 1 1 320.393 2.295 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000823752673 648478945 /nfs/dbraw/zinc/47/89/45/648478945.db2.gz IPKSPINCNOEPKV-ZDUSSCGKSA-N 1 1 305.378 2.378 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823938268 648502327 /nfs/dbraw/zinc/50/23/27/648502327.db2.gz BYSDSLCOQJEEIG-SNVBAGLBSA-N 1 1 309.370 2.027 20 5 DEBDMO Cc1ccccc1[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[NH2+]1 ZINC000825162641 648715736 /nfs/dbraw/zinc/71/57/36/648715736.db2.gz PEACAFIYMNZORX-OAHLLOKOSA-N 1 1 319.405 2.303 20 5 DEBDMO O=C1CCC2=C(CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)N1 ZINC000826780653 648925872 /nfs/dbraw/zinc/92/58/72/648925872.db2.gz NTQYMWYKGDORGV-HWKANZROSA-N 1 1 313.357 2.478 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827267648 649004382 /nfs/dbraw/zinc/00/43/82/649004382.db2.gz OEMNUSBWWWXSDB-CHWSQXEVSA-N 1 1 303.362 2.069 20 5 DEBDMO COC(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827341095 649018287 /nfs/dbraw/zinc/01/82/87/649018287.db2.gz YDSBZGWVQFWOFO-UHFFFAOYSA-N 1 1 315.757 2.378 20 5 DEBDMO COC(=O)N(C)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827341095 649018289 /nfs/dbraw/zinc/01/82/89/649018289.db2.gz YDSBZGWVQFWOFO-UHFFFAOYSA-N 1 1 315.757 2.378 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3OC(F)F)C[C@@H]21 ZINC000828988009 649255642 /nfs/dbraw/zinc/25/56/42/649255642.db2.gz PXBCRZXCEOGCTN-SKDRFNHKSA-N 1 1 313.304 2.337 20 5 DEBDMO CON(C)C(=O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538811 649607553 /nfs/dbraw/zinc/60/75/53/649607553.db2.gz JGOSIIXQSNVICE-CQSZACIVSA-N 1 1 321.377 2.184 20 5 DEBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)CC(C)(C)C ZINC000832093949 649674424 /nfs/dbraw/zinc/67/44/24/649674424.db2.gz JZMHTJOLWMYESO-CABCVRRESA-N 1 1 310.394 2.357 20 5 DEBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+](C2CC2)C1 ZINC000854678571 651534454 /nfs/dbraw/zinc/53/44/54/651534454.db2.gz YHBKZOFRHYMODR-LLVKDONJSA-N 1 1 321.352 2.290 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000850426533 651926824 /nfs/dbraw/zinc/92/68/24/651926824.db2.gz CWMKYOKTWRUUEB-HQJQHLMTSA-N 1 1 308.256 2.177 20 5 DEBDMO Cc1noc(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)c1[N+](=O)[O-] ZINC000852205380 652363382 /nfs/dbraw/zinc/36/33/82/652363382.db2.gz ZDLYYXHLVFSSRT-INIZCTEOSA-N 1 1 317.345 2.157 20 5 DEBDMO Cc1noc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)c1[N+](=O)[O-] ZINC000852205380 652363386 /nfs/dbraw/zinc/36/33/86/652363386.db2.gz ZDLYYXHLVFSSRT-INIZCTEOSA-N 1 1 317.345 2.157 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000136905196 684241750 /nfs/dbraw/zinc/24/17/50/684241750.db2.gz VPHWOHLIQCDWGO-UHFFFAOYSA-N 1 1 311.769 2.462 20 5 DEBDMO Cc1ccc(NC(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000929118070 693899851 /nfs/dbraw/zinc/89/98/51/693899851.db2.gz JSDBTGJNSWVRQT-NSHDSACASA-N 1 1 306.366 2.367 20 5 DEBDMO O=[N+]([O-])c1cc(CO)c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000865447376 687215060 /nfs/dbraw/zinc/21/50/60/687215060.db2.gz HDKAOAONNUPHMG-NWDGAFQWSA-N 1 1 309.341 2.265 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)CC[C@@H]21 ZINC000865618066 687279591 /nfs/dbraw/zinc/27/95/91/687279591.db2.gz SEHCNPHLTXDYNI-FZMZJTMJSA-N 1 1 323.368 2.147 20 5 DEBDMO C[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000867943460 687843293 /nfs/dbraw/zinc/84/32/93/687843293.db2.gz WGQUQIDGONIBQX-XHBSWPGZSA-N 1 1 305.378 2.416 20 5 DEBDMO CC[C@]1(C)CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867951306 687847565 /nfs/dbraw/zinc/84/75/65/687847565.db2.gz HFPFQGVHBOFHHR-CVEARBPZSA-N 1 1 305.378 2.417 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000930366321 694146327 /nfs/dbraw/zinc/14/63/27/694146327.db2.gz CLJNMRHSSSKWFM-WQVCFCJDSA-N 1 1 317.389 2.156 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930677123 694216657 /nfs/dbraw/zinc/21/66/57/694216657.db2.gz XJFHZWBSPLMQCF-WQVCFCJDSA-N 1 1 315.373 2.051 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1 ZINC000871154882 688737741 /nfs/dbraw/zinc/73/77/41/688737741.db2.gz IZNIRRAMRCLMHS-UHFFFAOYSA-N 1 1 305.378 2.460 20 5 DEBDMO COCCC[N@@H+](C)CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040284 688917987 /nfs/dbraw/zinc/91/79/87/688917987.db2.gz XENGRFOBWIKZCP-GFCCVEGCSA-N 1 1 313.373 2.353 20 5 DEBDMO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036477 688917996 /nfs/dbraw/zinc/91/79/96/688917996.db2.gz SLBNQRZAPSIOHI-RYUDHWBXSA-N 1 1 312.341 2.438 20 5 DEBDMO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872043665 688918508 /nfs/dbraw/zinc/91/85/08/688918508.db2.gz KBRNCCMGUDLHLH-WDEREUQCSA-N 1 1 309.341 2.395 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872278644 688972149 /nfs/dbraw/zinc/97/21/49/688972149.db2.gz WRRWUYGYAUEBQK-HNNXBMFYSA-N 1 1 308.382 2.215 20 5 DEBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000872713229 689071773 /nfs/dbraw/zinc/07/17/73/689071773.db2.gz LZWJXEXRHNEGGQ-TXEJJXNPSA-N 1 1 315.329 2.358 20 5 DEBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000872713229 689071775 /nfs/dbraw/zinc/07/17/75/689071775.db2.gz LZWJXEXRHNEGGQ-TXEJJXNPSA-N 1 1 315.329 2.358 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000872781601 689092482 /nfs/dbraw/zinc/09/24/82/689092482.db2.gz VYPMCYUFYFXMSS-GJZGRUSLSA-N 1 1 313.361 2.211 20 5 DEBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)c2c(Cl)c1 ZINC000872785938 689093502 /nfs/dbraw/zinc/09/35/02/689093502.db2.gz LSVXXSPVCXVDTL-PHIMTYICSA-N 1 1 322.752 2.134 20 5 DEBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3C[C@@H]4COC[C@@H]4C3)c2c(Cl)c1 ZINC000872785938 689093506 /nfs/dbraw/zinc/09/35/06/689093506.db2.gz LSVXXSPVCXVDTL-PHIMTYICSA-N 1 1 322.752 2.134 20 5 DEBDMO C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000930883478 694262372 /nfs/dbraw/zinc/26/23/72/694262372.db2.gz ZYRDOKMXLLNGSX-ABAIWWIYSA-N 1 1 304.350 2.010 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000874827145 689501665 /nfs/dbraw/zinc/50/16/65/689501665.db2.gz BZVBDQMVVYOPAC-ZIAGYGMSSA-N 1 1 307.325 2.043 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000874827144 689501998 /nfs/dbraw/zinc/50/19/98/689501998.db2.gz BZVBDQMVVYOPAC-UONOGXRCSA-N 1 1 307.325 2.043 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000876780275 689934773 /nfs/dbraw/zinc/93/47/73/689934773.db2.gz DMAQSMHCPUAYLP-CYBMUJFWSA-N 1 1 305.378 2.299 20 5 DEBDMO CN(C[C@@H]1CC1(C)C)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000876979514 689988880 /nfs/dbraw/zinc/98/88/80/689988880.db2.gz IROIHJQZJMCLCG-BLLLJJGKSA-N 1 1 305.378 2.273 20 5 DEBDMO COC[C@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000877464508 690121199 /nfs/dbraw/zinc/12/11/99/690121199.db2.gz PCEYECCKVLJUQY-TZMCWYRMSA-N 1 1 308.378 2.447 20 5 DEBDMO COC[C@H]1C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000877464508 690121201 /nfs/dbraw/zinc/12/12/01/690121201.db2.gz PCEYECCKVLJUQY-TZMCWYRMSA-N 1 1 308.378 2.447 20 5 DEBDMO CC(C)(O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000877834947 690246655 /nfs/dbraw/zinc/24/66/55/690246655.db2.gz BQMYKINEEHKPBF-ZDUSSCGKSA-N 1 1 322.361 2.054 20 5 DEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000931297545 694359983 /nfs/dbraw/zinc/35/99/83/694359983.db2.gz KLVYWUGWYLNLCK-JOYOIKCWSA-N 1 1 324.768 2.416 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000878663003 690470926 /nfs/dbraw/zinc/47/09/26/690470926.db2.gz VABAOEBTPGEENT-MRXNPFEDSA-N 1 1 319.405 2.200 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000878979396 690541704 /nfs/dbraw/zinc/54/17/04/690541704.db2.gz XBRIQBSINMFGGP-LSDHHAIUSA-N 1 1 314.345 2.255 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000878979396 690541707 /nfs/dbraw/zinc/54/17/07/690541707.db2.gz XBRIQBSINMFGGP-LSDHHAIUSA-N 1 1 314.345 2.255 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1 ZINC000879419367 690638008 /nfs/dbraw/zinc/63/80/08/690638008.db2.gz NSIXRWUZCOLPCJ-LUKYLMHMSA-N 1 1 320.389 2.254 20 5 DEBDMO NC(=O)[C@@H](C1CC1)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000879491557 690653623 /nfs/dbraw/zinc/65/36/23/690653623.db2.gz JBSCSXZGMORXQU-OAHLLOKOSA-N 1 1 303.362 2.071 20 5 DEBDMO CC(C)(O)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879963099 690768059 /nfs/dbraw/zinc/76/80/59/690768059.db2.gz FTEYIRWLTDPJOI-ZFWWWQNUSA-N 1 1 308.378 2.111 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880580282 690932882 /nfs/dbraw/zinc/93/28/82/690932882.db2.gz GAXHXUKLRSJGSZ-CQSZACIVSA-N 1 1 324.352 2.097 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880580282 690932883 /nfs/dbraw/zinc/93/28/83/690932883.db2.gz GAXHXUKLRSJGSZ-CQSZACIVSA-N 1 1 324.352 2.097 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c(F)c1 ZINC000880584151 690933592 /nfs/dbraw/zinc/93/35/92/690933592.db2.gz NLLBKKVPVRHYRW-AWEZNQCLSA-N 1 1 324.352 2.097 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c(F)c1 ZINC000880584151 690933594 /nfs/dbraw/zinc/93/35/94/690933594.db2.gz NLLBKKVPVRHYRW-AWEZNQCLSA-N 1 1 324.352 2.097 20 5 DEBDMO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000880588460 690935279 /nfs/dbraw/zinc/93/52/79/690935279.db2.gz WDOQISYFPIHBOG-HNNXBMFYSA-N 1 1 323.393 2.196 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880590311 690935329 /nfs/dbraw/zinc/93/53/29/690935329.db2.gz YLZSEDPAHBAZKG-AWEZNQCLSA-N 1 1 324.352 2.097 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880590311 690935331 /nfs/dbraw/zinc/93/53/31/690935331.db2.gz YLZSEDPAHBAZKG-AWEZNQCLSA-N 1 1 324.352 2.097 20 5 DEBDMO C[C@@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000883396699 691496904 /nfs/dbraw/zinc/49/69/04/691496904.db2.gz UZVWCSHFRHDUKJ-ZYHUDNBSSA-N 1 1 321.352 2.395 20 5 DEBDMO CC1CC[NH+](Cc2cn(Cc3ccccc3[N+](=O)[O-])nn2)CC1 ZINC000883994593 691629492 /nfs/dbraw/zinc/62/94/92/691629492.db2.gz FSGKRSAWUXPBOE-UHFFFAOYSA-N 1 1 315.377 2.467 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000886301058 692048974 /nfs/dbraw/zinc/04/89/74/692048974.db2.gz VBIBPADYUBAWMU-MCIONIFRSA-N 1 1 319.361 2.153 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000886301058 692048977 /nfs/dbraw/zinc/04/89/77/692048977.db2.gz VBIBPADYUBAWMU-MCIONIFRSA-N 1 1 319.361 2.153 20 5 DEBDMO Cc1ccc(O[C@H]2CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)nc1 ZINC000886302049 692049157 /nfs/dbraw/zinc/04/91/57/692049157.db2.gz DCJHDAUFUDWYOP-AWEZNQCLSA-N 1 1 314.345 2.347 20 5 DEBDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)nc1 ZINC000886302049 692049162 /nfs/dbraw/zinc/04/91/62/692049162.db2.gz DCJHDAUFUDWYOP-AWEZNQCLSA-N 1 1 314.345 2.347 20 5 DEBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000886593202 692123631 /nfs/dbraw/zinc/12/36/31/692123631.db2.gz KKBQGMJKSAOGLY-MRXNPFEDSA-N 1 1 319.405 2.326 20 5 DEBDMO COC(=O)C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000932109645 694549808 /nfs/dbraw/zinc/54/98/08/694549808.db2.gz FHEXKDVREHKFFC-CHWSQXEVSA-N 1 1 322.361 2.105 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000896693995 693008823 /nfs/dbraw/zinc/00/88/23/693008823.db2.gz QNINHBNZSRILQC-CQSZACIVSA-N 1 1 305.378 2.126 20 5 DEBDMO CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001346198240 1150950305 /nfs/dbraw/zinc/95/03/05/1150950305.db2.gz VBKMOHXYMKJVKJ-GJZGRUSLSA-N 1 1 306.362 2.250 20 5 DEBDMO Nc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001347865651 1151102780 /nfs/dbraw/zinc/10/27/80/1151102780.db2.gz GUNRLTXNMLYOCB-ZDUSSCGKSA-N 1 1 313.361 2.258 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC001348224975 1151134653 /nfs/dbraw/zinc/13/46/53/1151134653.db2.gz WXPMSZHJLVMTKL-DLOVCJGASA-N 1 1 323.780 2.318 20 5 DEBDMO C[C@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])c3ccccc32)CCO1 ZINC001349968892 1151313327 /nfs/dbraw/zinc/31/33/27/1151313327.db2.gz GUXRMJKGLKVBJI-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])c3ccccc32)CCO1 ZINC001349968892 1151313331 /nfs/dbraw/zinc/31/33/31/1151313331.db2.gz GUXRMJKGLKVBJI-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO Cc1c(C(=O)NC[C@@]23CC[N@@H+](C2)CCC3)cccc1[N+](=O)[O-] ZINC001352412068 1151735174 /nfs/dbraw/zinc/73/51/74/1151735174.db2.gz BRMDNHSNJWTVNQ-MRXNPFEDSA-N 1 1 303.362 2.119 20 5 DEBDMO COC1(OC)CC(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC001354343067 1151887894 /nfs/dbraw/zinc/88/78/94/1151887894.db2.gz UDSGEBZCPUQFRT-UHFFFAOYSA-N 1 1 317.345 2.376 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001444911331 1183640882 /nfs/dbraw/zinc/64/08/82/1183640882.db2.gz ZUBWQXAEZRXALK-CYBMUJFWSA-N 1 1 320.393 2.102 20 5 DEBDMO Cc1cc(CNc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)nn1C ZINC001167771702 778476111 /nfs/dbraw/zinc/47/61/11/778476111.db2.gz VOTGHJOUQORPBM-UHFFFAOYSA-N 1 1 315.377 2.237 20 5 DEBDMO Cc1cc(CNc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)nn1C ZINC001167771702 778476117 /nfs/dbraw/zinc/47/61/17/778476117.db2.gz VOTGHJOUQORPBM-UHFFFAOYSA-N 1 1 315.377 2.237 20 5 DEBDMO C[N@@H+]1CCc2c(NCc3ccc(=O)[nH]c3)ccc([N+](=O)[O-])c2C1 ZINC001168304610 780816531 /nfs/dbraw/zinc/81/65/31/780816531.db2.gz JWTYKKWEADTCEA-UHFFFAOYSA-N 1 1 314.345 2.295 20 5 DEBDMO C[N@H+]1CCc2c(NCc3ccc(=O)[nH]c3)ccc([N+](=O)[O-])c2C1 ZINC001168304610 780816540 /nfs/dbraw/zinc/81/65/40/780816540.db2.gz JWTYKKWEADTCEA-UHFFFAOYSA-N 1 1 314.345 2.295 20 5 DEBDMO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OCc1ccccc1 ZINC001168974630 784993429 /nfs/dbraw/zinc/99/34/29/784993429.db2.gz RKOMPMVEKSMOII-NWANDNLSSA-N 1 1 306.362 2.153 20 5 DEBDMO CSCC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)C ZINC001168993318 784995250 /nfs/dbraw/zinc/99/52/50/784995250.db2.gz MPPJJJPLVITADC-UPJWGTAASA-N 1 1 318.439 2.095 20 5 DEBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169013372 785003487 /nfs/dbraw/zinc/00/34/87/785003487.db2.gz UJWYWZPTZDPFTN-FRRDWIJNSA-N 1 1 313.398 2.031 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCN(c3cccnc3)CC2)C1 ZINC001169046790 785019459 /nfs/dbraw/zinc/01/94/59/785019459.db2.gz NAWGKRNXQDRSTI-GJZGRUSLSA-N 1 1 304.394 2.039 20 5 DEBDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169026416 785020380 /nfs/dbraw/zinc/02/03/80/785020380.db2.gz LXPFKRPLYDYGFR-MCIONIFRSA-N 1 1 312.410 2.486 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Oc3ccncc3)C2)C1 ZINC001169052453 785023028 /nfs/dbraw/zinc/02/30/28/785023028.db2.gz GBLANEKMZCEMTD-FMKPAKJESA-N 1 1 305.378 2.370 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170329381 786910233 /nfs/dbraw/zinc/91/02/33/786910233.db2.gz PTVXRWUJTMHTGM-JSGCOSHPSA-N 1 1 308.378 2.381 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC001170328784 786910256 /nfs/dbraw/zinc/91/02/56/786910256.db2.gz MOSYNXBVCRATCX-SCRDCRAPSA-N 1 1 308.378 2.237 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+](C)Cc2ncccn2)c([N+](=O)[O-])c1 ZINC001170329366 786910933 /nfs/dbraw/zinc/91/09/33/786910933.db2.gz PMGQBTYUXVQMKH-GFCCVEGCSA-N 1 1 316.361 2.456 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2ncccn2)c([N+](=O)[O-])c1 ZINC001170329366 786910941 /nfs/dbraw/zinc/91/09/41/786910941.db2.gz PMGQBTYUXVQMKH-GFCCVEGCSA-N 1 1 316.361 2.456 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170353408 786917056 /nfs/dbraw/zinc/91/70/56/786917056.db2.gz XSSDDJYMHOHGAM-YRGRVCCFSA-N 1 1 308.378 2.380 20 5 DEBDMO COc1ccc(C[C@@H](C)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170351070 786931486 /nfs/dbraw/zinc/93/14/86/786931486.db2.gz FCCRHVJLEVKJCX-HACGYAERSA-N 1 1 319.405 2.170 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170351070 786931490 /nfs/dbraw/zinc/93/14/90/786931490.db2.gz FCCRHVJLEVKJCX-HACGYAERSA-N 1 1 319.405 2.170 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170351070 786931494 /nfs/dbraw/zinc/93/14/94/786931494.db2.gz FCCRHVJLEVKJCX-HACGYAERSA-N 1 1 319.405 2.170 20 5 DEBDMO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001135504708 789366943 /nfs/dbraw/zinc/36/69/43/789366943.db2.gz QOEYAKNSVXFQOO-CQSZACIVSA-N 1 1 315.333 2.337 20 5 DEBDMO C[N@H+]1CCC[C@@H]1c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001135504708 789366953 /nfs/dbraw/zinc/36/69/53/789366953.db2.gz QOEYAKNSVXFQOO-CQSZACIVSA-N 1 1 315.333 2.337 20 5 DEBDMO CCC[N@@H+](C)CCC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094515911 792960227 /nfs/dbraw/zinc/96/02/27/792960227.db2.gz ZJGQABGWORIKGM-UHFFFAOYSA-N 1 1 322.409 2.245 20 5 DEBDMO CC[N@@H+](C)CCC(=O)NCCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001094574133 792988569 /nfs/dbraw/zinc/98/85/69/792988569.db2.gz POYLGWIHWMVKGZ-UHFFFAOYSA-N 1 1 322.409 2.163 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](F)[C@H](O)C1)CC2 ZINC001172903058 793522672 /nfs/dbraw/zinc/52/26/72/793522672.db2.gz DPZAALMOXFHGQV-FVQBIDKESA-N 1 1 308.353 2.247 20 5 DEBDMO COC[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172921806 793533628 /nfs/dbraw/zinc/53/36/28/793533628.db2.gz UBRFYWQKXVHDOD-RDJZCZTQSA-N 1 1 320.389 2.189 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+])c1F ZINC001173178210 793620003 /nfs/dbraw/zinc/62/00/03/793620003.db2.gz BMMFCRLATAZMMV-QWRGUYRKSA-N 1 1 313.373 2.200 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)C[C@@H](C)C[NH3+])c1F ZINC001173178210 793620012 /nfs/dbraw/zinc/62/00/12/793620012.db2.gz BMMFCRLATAZMMV-QWRGUYRKSA-N 1 1 313.373 2.200 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]3C[C@H]2C[N@H+]3C)c1F ZINC001173191921 793623766 /nfs/dbraw/zinc/62/37/66/793623766.db2.gz HJRVIGSWNVCWNH-SRVKXCTJSA-N 1 1 323.368 2.062 20 5 DEBDMO CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530874 794811672 /nfs/dbraw/zinc/81/16/72/794811672.db2.gz WGGCJRHJXJGACG-LRPXVYOUSA-N 1 1 323.437 2.417 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c2nonc21 ZINC001116252738 794945956 /nfs/dbraw/zinc/94/59/56/794945956.db2.gz LAIQTECARGSAIO-LDYMZIIASA-N 1 1 303.322 2.026 20 5 DEBDMO C=C/C=C/CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001119308740 795286623 /nfs/dbraw/zinc/28/66/23/795286623.db2.gz QLIADWORUBYAAQ-ONEGZZNKSA-N 1 1 315.373 2.485 20 5 DEBDMO COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CCC[N@H+]3C)c2c1 ZINC001187207372 796507689 /nfs/dbraw/zinc/50/76/89/796507689.db2.gz JHTCDCYKJDSQHS-NSHDSACASA-N 1 1 316.361 2.080 20 5 DEBDMO Cc1nc(Cl)nc(NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001156380152 797988708 /nfs/dbraw/zinc/98/87/08/797988708.db2.gz FKTOEFVYJIXTQI-SNVBAGLBSA-N 1 1 313.789 2.490 20 5 DEBDMO CCC[N@@H+]1C[C@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@H]2C1 ZINC001157692188 798259905 /nfs/dbraw/zinc/25/99/05/798259905.db2.gz UHYVKLKLOYFHJL-PHIMTYICSA-N 1 1 310.785 2.421 20 5 DEBDMO CC(C)c1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775074 798275834 /nfs/dbraw/zinc/27/58/34/798275834.db2.gz KTBGQAYLVMYDNY-HZPDHXFCSA-N 1 1 319.405 2.071 20 5 DEBDMO [NH3+]Cc1ncn(-c2ccc3ccc4ccc(Cl)nc4c3n2)n1 ZINC001157928572 798307613 /nfs/dbraw/zinc/30/76/13/798307613.db2.gz TYAGOTBMWYJHMY-UHFFFAOYSA-N 1 1 310.748 2.476 20 5 DEBDMO Cn1cc([C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nn1 ZINC001198612659 798366874 /nfs/dbraw/zinc/36/68/74/798366874.db2.gz RAHFUOHEIVOULH-NSHDSACASA-N 1 1 319.340 2.242 20 5 DEBDMO Cn1cc([C@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nn1 ZINC001198612659 798366877 /nfs/dbraw/zinc/36/68/77/798366877.db2.gz RAHFUOHEIVOULH-NSHDSACASA-N 1 1 319.340 2.242 20 5 DEBDMO O=[N+]([O-])c1ccnc(N2CCC[N@@H+](Cc3ccncc3)CC2)c1 ZINC001163823943 799441095 /nfs/dbraw/zinc/44/10/95/799441095.db2.gz HNSIJPZRNDIXON-UHFFFAOYSA-N 1 1 313.361 2.097 20 5 DEBDMO C[NH+](C)/C=C/c1cc(N2CCn3cccc3C2)ncc1[N+](=O)[O-] ZINC001166602162 799897805 /nfs/dbraw/zinc/89/78/05/799897805.db2.gz KUVVBTBERZNFKE-FNORWQNLSA-N 1 1 313.361 2.344 20 5 DEBDMO CN1CCN(c2cc[nH+]cc2Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001204450021 800216785 /nfs/dbraw/zinc/21/67/85/800216785.db2.gz HWJQOAMSVFMNRF-UHFFFAOYSA-N 1 1 313.361 2.485 20 5 DEBDMO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000934129172 800270179 /nfs/dbraw/zinc/27/01/79/800270179.db2.gz STKBLDISPYQIHP-OLZOCXBDSA-N 1 1 318.333 2.254 20 5 DEBDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000934129172 800270182 /nfs/dbraw/zinc/27/01/82/800270182.db2.gz STKBLDISPYQIHP-OLZOCXBDSA-N 1 1 318.333 2.254 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)C[C@@H]1C ZINC000935071789 800548587 /nfs/dbraw/zinc/54/85/87/800548587.db2.gz RXSWVVDWSXQGBN-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)C[C@@H]1C ZINC000935071789 800548598 /nfs/dbraw/zinc/54/85/98/800548598.db2.gz RXSWVVDWSXQGBN-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO C[N@H+]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000935804740 800773956 /nfs/dbraw/zinc/77/39/56/800773956.db2.gz DWNRCLJCYRJNGF-GJZGRUSLSA-N 1 1 317.389 2.251 20 5 DEBDMO CC[N@H+]1CCC[C@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229364217 801264002 /nfs/dbraw/zinc/26/40/02/801264002.db2.gz HZYWISQYNGYYPK-NSHDSACASA-N 1 1 318.333 2.107 20 5 DEBDMO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001231059902 801568375 /nfs/dbraw/zinc/56/83/75/801568375.db2.gz LOGYFUIIZPHBCV-IACUBPJLSA-N 1 1 304.346 2.395 20 5 DEBDMO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001231059902 801568381 /nfs/dbraw/zinc/56/83/81/801568381.db2.gz LOGYFUIIZPHBCV-IACUBPJLSA-N 1 1 304.346 2.395 20 5 DEBDMO CC(C)=CC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001233535115 802146561 /nfs/dbraw/zinc/14/65/61/802146561.db2.gz MZZPEUIAQMKWRX-UHFFFAOYSA-N 1 1 305.378 2.499 20 5 DEBDMO CC[N@H+]1CCC[C@@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224989345 802925230 /nfs/dbraw/zinc/92/52/30/802925230.db2.gz MLPUQJGHAQHSKU-OAHLLOKOSA-N 1 1 322.361 2.139 20 5 DEBDMO COc1cc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)ncc1[N+](=O)[O-] ZINC001226578020 803126531 /nfs/dbraw/zinc/12/65/31/803126531.db2.gz APSXKCXVHAWTJB-QHBPRCKVSA-N 1 1 307.350 2.108 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001227043211 803191883 /nfs/dbraw/zinc/19/18/83/803191883.db2.gz ACHSBUUYYJRTHL-LBPRGKRZSA-N 1 1 308.334 2.245 20 5 DEBDMO COC(=O)c1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC001228767373 803408122 /nfs/dbraw/zinc/40/81/22/803408122.db2.gz BAUXGXFRTQWPIE-JJLQDPRZSA-N 1 1 320.345 2.385 20 5 DEBDMO COC(=O)c1cc(O[C@H]2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC001228769761 803408510 /nfs/dbraw/zinc/40/85/10/803408510.db2.gz ZCXGGWQQPFTXCT-ZDUSSCGKSA-N 1 1 308.334 2.245 20 5 DEBDMO COc1c(O)ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC001334286855 1150258477 /nfs/dbraw/zinc/25/84/77/1150258477.db2.gz HHMQMJHZTDAXHB-YPMHNXCESA-N 1 1 323.393 2.081 20 5 DEBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](CF)C2)nc1-c1ccccn1 ZINC001331037412 1149365842 /nfs/dbraw/zinc/36/58/42/1149365842.db2.gz UNUBYAVGLSUIPQ-LLVKDONJSA-N 1 1 305.313 2.102 20 5 DEBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@H](CF)C2)nc1-c1ccccn1 ZINC001331037412 1149365849 /nfs/dbraw/zinc/36/58/49/1149365849.db2.gz UNUBYAVGLSUIPQ-LLVKDONJSA-N 1 1 305.313 2.102 20 5 DEBDMO C[C@@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1C ZINC001603909868 1070145871 /nfs/dbraw/zinc/14/58/71/1070145871.db2.gz FJEUFWIINARWED-GHMZBOCLSA-N 1 1 316.365 2.253 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001526831459 1070353980 /nfs/dbraw/zinc/35/39/80/1070353980.db2.gz CKIXBTYBUQFOOA-BPNCWPANSA-N 1 1 304.350 2.057 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)n1 ZINC001526815974 1070354050 /nfs/dbraw/zinc/35/40/50/1070354050.db2.gz ZXAHSVFDQHIMGS-CHWSQXEVSA-N 1 1 320.393 2.291 20 5 DEBDMO CC(C)c1ncc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])[nH]1 ZINC001456344178 1057847396 /nfs/dbraw/zinc/84/73/96/1057847396.db2.gz QGHLNXBYTPHKSF-UHFFFAOYSA-N 1 1 320.324 2.439 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001457879666 1058036026 /nfs/dbraw/zinc/03/60/26/1058036026.db2.gz RLVHDBPBMNVYOO-GFCCVEGCSA-N 1 1 303.362 2.212 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001457879666 1058036031 /nfs/dbraw/zinc/03/60/31/1058036031.db2.gz RLVHDBPBMNVYOO-GFCCVEGCSA-N 1 1 303.362 2.212 20 5 DEBDMO Cc1cc(C(=O)NCC[N@H+]2CCC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC001463338983 1058958919 /nfs/dbraw/zinc/95/89/19/1058958919.db2.gz SLJXTSDQYGDSNG-UHFFFAOYSA-N 1 1 305.378 2.365 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001469026662 1059890734 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/nfs/dbraw/zinc/29/33/24/198293324.db2.gz WLIDKUHAJSWJNP-ZDUSSCGKSA-N 1 1 324.377 2.088 20 5 DEBDMO C[C@H](CNc1c([N+](=O)[O-])ncn1C)[N@H+]1CCc2ccccc2C1 ZINC000026729975 354085566 /nfs/dbraw/zinc/08/55/66/354085566.db2.gz MSKLPEGGQZBUAR-GFCCVEGCSA-N 1 1 315.377 2.187 20 5 DEBDMO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000047796664 354331091 /nfs/dbraw/zinc/33/10/91/354331091.db2.gz XZEGGYPWABOKPM-ZDUSSCGKSA-N 1 1 307.350 2.305 20 5 DEBDMO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000047796664 354331094 /nfs/dbraw/zinc/33/10/94/354331094.db2.gz XZEGGYPWABOKPM-ZDUSSCGKSA-N 1 1 307.350 2.305 20 5 DEBDMO C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+](C)C1CC1 ZINC000057706883 354577677 /nfs/dbraw/zinc/57/76/77/354577677.db2.gz BXYHNZDUAZSEBJ-SNVBAGLBSA-N 1 1 316.361 2.289 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000063695083 354652488 /nfs/dbraw/zinc/65/24/88/354652488.db2.gz DBFLBMRKXDVSEN-ZDUSSCGKSA-N 1 1 305.378 2.445 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000067165084 354750077 /nfs/dbraw/zinc/75/00/77/354750077.db2.gz BZDUNSBVDQWHSH-LSDHHAIUSA-N 1 1 303.362 2.260 20 5 DEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000067440107 354762238 /nfs/dbraw/zinc/76/22/38/354762238.db2.gz GFAGPBZLDVBELY-NWDGAFQWSA-N 1 1 323.418 2.238 20 5 DEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000067440107 354762239 /nfs/dbraw/zinc/76/22/39/354762239.db2.gz GFAGPBZLDVBELY-NWDGAFQWSA-N 1 1 323.418 2.238 20 5 DEBDMO Cc1cc(C(=O)N2CCC[N@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000068781981 354832413 /nfs/dbraw/zinc/83/24/13/354832413.db2.gz GQCWZNMOGPKHOW-UHFFFAOYSA-N 1 1 305.378 2.460 20 5 DEBDMO Cc1cc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000074772991 355049109 /nfs/dbraw/zinc/04/91/09/355049109.db2.gz RYTMUJJKURTJDU-AWEZNQCLSA-N 1 1 304.394 2.466 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000078571323 355268602 /nfs/dbraw/zinc/26/86/02/355268602.db2.gz LRRMRTSAIIZEQM-ZDUSSCGKSA-N 1 1 309.341 2.035 20 5 DEBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000089928964 355548513 /nfs/dbraw/zinc/54/85/13/355548513.db2.gz BWOCNVHYHZPISI-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO CC(C)CC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000077211743 191675289 /nfs/dbraw/zinc/67/52/89/191675289.db2.gz DJRKFBFBNWMGBT-UHFFFAOYSA-N 1 1 305.378 2.462 20 5 DEBDMO CO[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618305190 363454756 /nfs/dbraw/zinc/45/47/56/363454756.db2.gz DEDBVBJMRDQGDU-GFCCVEGCSA-N 1 1 304.350 2.472 20 5 DEBDMO CO[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618305190 363454761 /nfs/dbraw/zinc/45/47/61/363454761.db2.gz DEDBVBJMRDQGDU-GFCCVEGCSA-N 1 1 304.350 2.472 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000140053949 355882545 /nfs/dbraw/zinc/88/25/45/355882545.db2.gz GHWDQSULNMMLAL-FRRDWIJNSA-N 1 1 320.393 2.400 20 5 DEBDMO CC(C)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181544755 356085027 /nfs/dbraw/zinc/08/50/27/356085027.db2.gz KJCGZRNWXOSOBM-AWEZNQCLSA-N 1 1 308.378 2.455 20 5 DEBDMO CCc1nc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cs1 ZINC000184749289 356196921 /nfs/dbraw/zinc/19/69/21/356196921.db2.gz VRNLTUJKGUAEBK-SNVBAGLBSA-N 1 1 322.390 2.126 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420606496 283194137 /nfs/dbraw/zinc/19/41/37/283194137.db2.gz YKEGTGXAICVIOX-GFCCVEGCSA-N 1 1 320.393 2.084 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H]4C[C@H](O)CC[C@@H]4C3)nc2c1 ZINC000595636931 358509233 /nfs/dbraw/zinc/50/92/33/358509233.db2.gz UVNKDEUUZPJQAF-NTZNESFSSA-N 1 1 316.361 2.064 20 5 DEBDMO C[C@H](C(=O)N1CC[N@@H+](C)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000580870317 357092371 /nfs/dbraw/zinc/09/23/71/357092371.db2.gz COIBDDAVXUITIQ-LBPRGKRZSA-N 1 1 305.378 2.251 20 5 DEBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCCN2)n1 ZINC000591578063 357737695 /nfs/dbraw/zinc/73/76/95/357737695.db2.gz SNPVINRACIMXDI-BFHYXJOUSA-N 1 1 307.398 2.007 20 5 DEBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCCN1 ZINC000591578012 357737928 /nfs/dbraw/zinc/73/79/28/357737928.db2.gz MGPFBFQLBHXAEQ-GXTWGEPZSA-N 1 1 320.393 2.044 20 5 DEBDMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000592369367 357868383 /nfs/dbraw/zinc/86/83/83/357868383.db2.gz SYVALMIAMABPCL-CYBMUJFWSA-N 1 1 309.341 2.223 20 5 DEBDMO O=[N+]([O-])c1ccc(OC2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000592475748 357883440 /nfs/dbraw/zinc/88/34/40/357883440.db2.gz HLDWYNBXLQLZIL-ZDUSSCGKSA-N 1 1 305.378 2.048 20 5 DEBDMO CCCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592829753 357952650 /nfs/dbraw/zinc/95/26/50/357952650.db2.gz XVWLRWONRWVXCK-MRXNPFEDSA-N 1 1 319.405 2.470 20 5 DEBDMO Cc1cncc(CC[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000593027947 357990753 /nfs/dbraw/zinc/99/07/53/357990753.db2.gz GPRFNBKTCXQBPE-UHFFFAOYSA-N 1 1 300.362 2.410 20 5 DEBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594197376 358222031 /nfs/dbraw/zinc/22/20/31/358222031.db2.gz NHYGGXXIXCUFMG-JKSUJKDBSA-N 1 1 317.389 2.270 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000595765452 358543474 /nfs/dbraw/zinc/54/34/74/358543474.db2.gz HIBRBWWZMNSPLV-IUODEOHRSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1cc(CO)cc(N(C)CCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000596227589 358645887 /nfs/dbraw/zinc/64/58/87/358645887.db2.gz RVYJXRWTUMHWTI-UHFFFAOYSA-N 1 1 301.346 2.469 20 5 DEBDMO O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000596296080 358662233 /nfs/dbraw/zinc/66/22/33/358662233.db2.gz GLODYELYAMYKRA-NWDGAFQWSA-N 1 1 310.785 2.494 20 5 DEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000597717137 358987669 /nfs/dbraw/zinc/98/76/69/358987669.db2.gz ZTATZVSMUURCKU-MRXNPFEDSA-N 1 1 303.362 2.153 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)C1 ZINC000598341963 359169412 /nfs/dbraw/zinc/16/94/12/359169412.db2.gz JPAZUMBRVLJDQO-AWEZNQCLSA-N 1 1 305.378 2.371 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342819 359170205 /nfs/dbraw/zinc/17/02/05/359170205.db2.gz QJAVBMOQKYAGAR-OCCSQVGLSA-N 1 1 305.378 2.299 20 5 DEBDMO C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598646334 359274421 /nfs/dbraw/zinc/27/44/21/359274421.db2.gz RLHKOMLEYYOKDG-UONOGXRCSA-N 1 1 308.378 2.314 20 5 DEBDMO CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000598648492 359275969 /nfs/dbraw/zinc/27/59/69/359275969.db2.gz SUOIUSYYVMHLCC-OCCSQVGLSA-N 1 1 308.378 2.444 20 5 DEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599201154 359431524 /nfs/dbraw/zinc/43/15/24/359431524.db2.gz DRVBZGIXKGXHJK-JTQLQIEISA-N 1 1 319.283 2.092 20 5 DEBDMO CO[C@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599093669 359402274 /nfs/dbraw/zinc/40/22/74/359402274.db2.gz VENWWVTYXCJSFM-QEJZJMRPSA-N 1 1 316.361 2.185 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000281025066 216029333 /nfs/dbraw/zinc/02/93/33/216029333.db2.gz UOOFLWNINWSFLB-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000281025073 216029630 /nfs/dbraw/zinc/02/96/30/216029630.db2.gz UOOFLWNINWSFLB-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO COc1cc(C[N@@H+](C)CC2(C)COC2)c([N+](=O)[O-])cc1OC ZINC000600190749 359683455 /nfs/dbraw/zinc/68/34/55/359683455.db2.gz MCBYJUPRFFUXKG-UHFFFAOYSA-N 1 1 310.350 2.080 20 5 DEBDMO COc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000600311427 359719014 /nfs/dbraw/zinc/71/90/14/359719014.db2.gz BBOSUNDRSJNXHA-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO Cc1nc2n(n1)CCN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000601125198 359931473 /nfs/dbraw/zinc/93/14/73/359931473.db2.gz XEPBPUHTPNFRFR-UHFFFAOYSA-N 1 1 310.317 2.063 20 5 DEBDMO O=[N+]([O-])c1ccc2nccc(NC[C@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000601103893 359921162 /nfs/dbraw/zinc/92/11/62/359921162.db2.gz LNDWUUVKSSYFIN-GFCCVEGCSA-N 1 1 312.373 2.461 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(OCCO)CC3)c2c1 ZINC000601134613 359935374 /nfs/dbraw/zinc/93/53/74/359935374.db2.gz FKQOJHFDLKKTMR-UHFFFAOYSA-N 1 1 317.345 2.121 20 5 DEBDMO CCO[C@@H]1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)[C@H]1OC ZINC000601142610 359939341 /nfs/dbraw/zinc/93/93/41/359939341.db2.gz WGAHUBFDJDRFHC-BZUAXINKSA-N 1 1 317.345 2.169 20 5 DEBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[S@](=O)C1 ZINC000601156220 359946322 /nfs/dbraw/zinc/94/63/22/359946322.db2.gz UIFSLTQZMCOAFI-XFNZEKPQSA-N 1 1 319.386 2.348 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601621696 360089835 /nfs/dbraw/zinc/08/98/35/360089835.db2.gz ODJDFXGXUYVWEA-LLVKDONJSA-N 1 1 309.341 2.289 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602568765 360437393 /nfs/dbraw/zinc/43/73/93/360437393.db2.gz MASXPBCHZRFYLO-YGRLFVJLSA-N 1 1 316.361 2.308 20 5 DEBDMO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602568765 360437394 /nfs/dbraw/zinc/43/73/94/360437394.db2.gz MASXPBCHZRFYLO-YGRLFVJLSA-N 1 1 316.361 2.308 20 5 DEBDMO C[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000602637683 360471603 /nfs/dbraw/zinc/47/16/03/360471603.db2.gz OUXFSQBCDKYSTQ-QWRGUYRKSA-N 1 1 303.366 2.043 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000602808666 360565995 /nfs/dbraw/zinc/56/59/95/360565995.db2.gz YKUMWRYJFZONRX-LBPRGKRZSA-N 1 1 316.361 2.383 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000602808666 360566001 /nfs/dbraw/zinc/56/60/01/360566001.db2.gz YKUMWRYJFZONRX-LBPRGKRZSA-N 1 1 316.361 2.383 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2cc(C)ccc2C1 ZINC000602816694 360569463 /nfs/dbraw/zinc/56/94/63/360569463.db2.gz RGLUARFHHMBUPG-UHFFFAOYSA-N 1 1 300.362 2.466 20 5 DEBDMO COCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000602822742 360572806 /nfs/dbraw/zinc/57/28/06/360572806.db2.gz AHBYOHYPFIYIHL-GXTWGEPZSA-N 1 1 310.398 2.237 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000602900970 360616943 /nfs/dbraw/zinc/61/69/43/360616943.db2.gz PVCCEMNJNQBXCJ-HUUCEWRRSA-N 1 1 322.409 2.381 20 5 DEBDMO COc1ccc(NC(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000602932400 360632512 /nfs/dbraw/zinc/63/25/12/360632512.db2.gz WULKHNUNXRSAEQ-UHFFFAOYSA-N 1 1 322.365 2.161 20 5 DEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000604476345 360908112 /nfs/dbraw/zinc/90/81/12/360908112.db2.gz UIWPQEBCLJINJA-KGLIPLIRSA-N 1 1 318.377 2.021 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CCO)C1 ZINC000609848918 361343517 /nfs/dbraw/zinc/34/35/17/361343517.db2.gz PSAXMWSNJWRYJA-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CCO)C1 ZINC000609848918 361343520 /nfs/dbraw/zinc/34/35/20/361343520.db2.gz PSAXMWSNJWRYJA-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO O=C(CC[N@@H+]1CCC[C@H](CCO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000610213658 361368130 /nfs/dbraw/zinc/36/81/30/361368130.db2.gz MBEZTKBIUWJEFA-CYBMUJFWSA-N 1 1 321.377 2.018 20 5 DEBDMO CC[C@H]1CN(c2cc(C)ccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000610677497 361444376 /nfs/dbraw/zinc/44/43/76/361444376.db2.gz PRHLDJCXVBBDBX-KGLIPLIRSA-N 1 1 307.394 2.185 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000619567156 363828118 /nfs/dbraw/zinc/82/81/18/363828118.db2.gz WUWMLMAEHMGBKN-CYBMUJFWSA-N 1 1 321.377 2.160 20 5 DEBDMO Cc1ccc([C@H](C)NC[C@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000453267807 245044434 /nfs/dbraw/zinc/04/44/34/245044434.db2.gz YWQBWQSWPHRHBP-GOEBONIOSA-N 1 1 321.421 2.401 20 5 DEBDMO Cc1ccc([C@H](C)NC[C@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000453267807 245044447 /nfs/dbraw/zinc/04/44/47/245044447.db2.gz YWQBWQSWPHRHBP-GOEBONIOSA-N 1 1 321.421 2.401 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000264760592 204137097 /nfs/dbraw/zinc/13/70/97/204137097.db2.gz NOTKDIBWBTVNBK-CYBMUJFWSA-N 1 1 320.393 2.241 20 5 DEBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)(C)O ZINC000266039385 205050131 /nfs/dbraw/zinc/05/01/31/205050131.db2.gz VJJOIPGXBJVCJQ-UHFFFAOYSA-N 1 1 324.377 2.444 20 5 DEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266114047 205108658 /nfs/dbraw/zinc/10/86/58/205108658.db2.gz HVPOIGKGTLVOMY-HNNXBMFYSA-N 1 1 319.405 2.470 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000288328331 220087096 /nfs/dbraw/zinc/08/70/96/220087096.db2.gz IECAAYKRGHWJAW-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000288328331 220087099 /nfs/dbraw/zinc/08/70/99/220087099.db2.gz IECAAYKRGHWJAW-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CC[C@H]1CO[C@H](C)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282806771 217264795 /nfs/dbraw/zinc/26/47/95/217264795.db2.gz XOPRPXMCLCGJSB-OLZOCXBDSA-N 1 1 321.377 2.423 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc2cnccn12 ZINC000282834427 217280834 /nfs/dbraw/zinc/28/08/34/217280834.db2.gz CBUQNBVAHXXPFY-UHFFFAOYSA-N 1 1 311.345 2.312 20 5 DEBDMO Cc1c(C[N@H+](CCO)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000267894333 206324791 /nfs/dbraw/zinc/32/47/91/206324791.db2.gz AOBHZUUNPZMGTA-UHFFFAOYSA-N 1 1 301.346 2.293 20 5 DEBDMO Cc1c(C[N@@H+](CCO)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000267894333 206324792 /nfs/dbraw/zinc/32/47/92/206324792.db2.gz AOBHZUUNPZMGTA-UHFFFAOYSA-N 1 1 301.346 2.293 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCO)Cc2cccnc2)cc1 ZINC000267929434 206343910 /nfs/dbraw/zinc/34/39/10/206343910.db2.gz VJLKFFRULMASHR-UHFFFAOYSA-N 1 1 301.346 2.027 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492296373 249032659 /nfs/dbraw/zinc/03/26/59/249032659.db2.gz OBLFOHKHNKLICL-LWSHCTJVSA-N 1 1 321.352 2.298 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493335379 249279961 /nfs/dbraw/zinc/27/99/61/249279961.db2.gz LEILRMRKTASKLL-IZPAUZPXSA-N 1 1 321.352 2.300 20 5 DEBDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000104495062 194011450 /nfs/dbraw/zinc/01/14/50/194011450.db2.gz YQCQDIMLKGDKDM-SBDDDAINSA-N 1 1 303.362 2.018 20 5 DEBDMO C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273978450 211236215 /nfs/dbraw/zinc/23/62/15/211236215.db2.gz QGLJQMGYVMIJCN-RYUDHWBXSA-N 1 1 305.382 2.450 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000273934909 285104959 /nfs/dbraw/zinc/10/49/59/285104959.db2.gz IVOGCCZDAZLYBS-STQMWFEESA-N 1 1 316.317 2.181 20 5 DEBDMO CC[N@@H+](CC(C)(C)O)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000158098461 197243890 /nfs/dbraw/zinc/24/38/90/197243890.db2.gz UTZXFUSHFSHBKR-LLVKDONJSA-N 1 1 309.366 2.015 20 5 DEBDMO O=C(C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000155544490 197065154 /nfs/dbraw/zinc/06/51/54/197065154.db2.gz SGEQBEAPNODDNC-IUODEOHRSA-N 1 1 319.361 2.034 20 5 DEBDMO O=C(C[N@H+]1CC[C@H]2OCCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000155544490 197065156 /nfs/dbraw/zinc/06/51/56/197065156.db2.gz SGEQBEAPNODDNC-IUODEOHRSA-N 1 1 319.361 2.034 20 5 DEBDMO C[C@]1(c2ccccc2)C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000121761646 195342495 /nfs/dbraw/zinc/34/24/95/195342495.db2.gz XJARWKNFUZFRKL-MRXNPFEDSA-N 1 1 316.361 2.039 20 5 DEBDMO C[C@]1(c2ccccc2)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000121761646 195342496 /nfs/dbraw/zinc/34/24/96/195342496.db2.gz XJARWKNFUZFRKL-MRXNPFEDSA-N 1 1 316.361 2.039 20 5 DEBDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000123433588 195581851 /nfs/dbraw/zinc/58/18/51/195581851.db2.gz TXQZPLLMXIIYIZ-UWVGGRQHSA-N 1 1 321.333 2.135 20 5 DEBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000331017179 533370387 /nfs/dbraw/zinc/37/03/87/533370387.db2.gz YVENXPKXEHREPG-OAHLLOKOSA-N 1 1 307.350 2.479 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000340254314 131280452 /nfs/dbraw/zinc/28/04/52/131280452.db2.gz PLGCEOTYPMHJID-LBPRGKRZSA-N 1 1 306.366 2.461 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000372698628 133363135 /nfs/dbraw/zinc/36/31/35/133363135.db2.gz AKKJBIIBUUHOOW-ZDUSSCGKSA-N 1 1 316.361 2.372 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000372698628 133363136 /nfs/dbraw/zinc/36/31/36/133363136.db2.gz AKKJBIIBUUHOOW-ZDUSSCGKSA-N 1 1 316.361 2.372 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000372960507 133371671 /nfs/dbraw/zinc/37/16/71/133371671.db2.gz WEIIVVSSXCVHCF-SWLSCSKDSA-N 1 1 318.377 2.461 20 5 DEBDMO COc1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000564653386 292103626 /nfs/dbraw/zinc/10/36/26/292103626.db2.gz FZSOGEDIGOBMRX-YGRLFVJLSA-N 1 1 310.325 2.353 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000564653386 292103627 /nfs/dbraw/zinc/10/36/27/292103627.db2.gz FZSOGEDIGOBMRX-YGRLFVJLSA-N 1 1 310.325 2.353 20 5 DEBDMO Cn1nncc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000342280607 404482844 /nfs/dbraw/zinc/48/28/44/404482844.db2.gz NLHYBLMMDJVMOA-UHFFFAOYSA-N 1 1 313.317 2.273 20 5 DEBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000190336962 145041247 /nfs/dbraw/zinc/04/12/47/145041247.db2.gz YZJNEDZGCQMKCV-SNVBAGLBSA-N 1 1 307.379 2.244 20 5 DEBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000248439537 145154950 /nfs/dbraw/zinc/15/49/50/145154950.db2.gz CMXVVVWEWXZIOV-MGPQQGTHSA-N 1 1 308.378 2.312 20 5 DEBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000313861729 145356117 /nfs/dbraw/zinc/35/61/17/145356117.db2.gz MIDLFTOMFFKKLK-QMMMGPOBSA-N 1 1 305.363 2.248 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336696248 145396908 /nfs/dbraw/zinc/39/69/08/145396908.db2.gz ATEPIKOTEXBUBV-AWEZNQCLSA-N 1 1 315.377 2.262 20 5 DEBDMO COc1ccc(CNc2nc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC000346073384 146010587 /nfs/dbraw/zinc/01/05/87/146010587.db2.gz MWYFBUMRKYITSS-UHFFFAOYSA-N 1 1 303.322 2.072 20 5 DEBDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000348244969 146240320 /nfs/dbraw/zinc/24/03/20/146240320.db2.gz NZAZQNGBLCPFEZ-MWLCHTKSSA-N 1 1 319.283 2.029 20 5 DEBDMO CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)c2ccc[nH+]c21 ZINC000348957877 146333149 /nfs/dbraw/zinc/33/31/49/146333149.db2.gz RTKFZJNQZYSBKY-UHFFFAOYSA-N 1 1 314.345 2.325 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000358349891 147118095 /nfs/dbraw/zinc/11/80/95/147118095.db2.gz KJNPXNKXAGVNSS-ZDUSSCGKSA-N 1 1 307.394 2.374 20 5 DEBDMO CC(C)[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358418429 147130509 /nfs/dbraw/zinc/13/05/09/147130509.db2.gz GVUGFAIXLZEGMF-UHFFFAOYSA-N 1 1 323.368 2.219 20 5 DEBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000359129958 147268021 /nfs/dbraw/zinc/26/80/21/147268021.db2.gz MJMUWBLFPDJJDL-MRXNPFEDSA-N 1 1 317.389 2.223 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCNc1cccc(C)[nH+]1 ZINC000359481048 147334791 /nfs/dbraw/zinc/33/47/91/147334791.db2.gz KFVCUINIKTULAZ-UHFFFAOYSA-N 1 1 304.354 2.347 20 5 DEBDMO CO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000374681810 148277676 /nfs/dbraw/zinc/27/76/76/148277676.db2.gz XCUFNJRKQCTZCS-IUODEOHRSA-N 1 1 321.377 2.423 20 5 DEBDMO C[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000007270060 401738462 /nfs/dbraw/zinc/73/84/62/401738462.db2.gz PHJCFKABHHJPQV-UHFFFAOYSA-N 1 1 300.156 2.109 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000112310950 401738632 /nfs/dbraw/zinc/73/86/32/401738632.db2.gz ANHZUBAZKQSDSV-CMDGGOBGSA-N 1 1 305.378 2.456 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000127560036 401740018 /nfs/dbraw/zinc/74/00/18/401740018.db2.gz OSOKQAYVSWZHOW-TZMCWYRMSA-N 1 1 317.389 2.269 20 5 DEBDMO COCC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000112352718 401740268 /nfs/dbraw/zinc/74/02/68/401740268.db2.gz SSWNHAZLXUIZGW-UHFFFAOYSA-N 1 1 321.377 2.200 20 5 DEBDMO CC[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000110559965 401691399 /nfs/dbraw/zinc/69/13/99/401691399.db2.gz AOMHZZQZIDOOLO-DGCLKSJQSA-N 1 1 311.357 2.015 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000110815601 401694415 /nfs/dbraw/zinc/69/44/15/401694415.db2.gz SLXKQTACBWDBLC-FNORWQNLSA-N 1 1 321.352 2.301 20 5 DEBDMO CC[C@@H]1COCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000115577089 401832488 /nfs/dbraw/zinc/83/24/88/401832488.db2.gz YMWKEAOCVOZHNO-CYBMUJFWSA-N 1 1 321.377 2.343 20 5 DEBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134656298 401909915 /nfs/dbraw/zinc/90/99/15/401909915.db2.gz XPVGAHIZNGRSGY-JTQLQIEISA-N 1 1 323.780 2.462 20 5 DEBDMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000118968105 401915655 /nfs/dbraw/zinc/91/56/55/401915655.db2.gz ABSDUHHGWOVNGB-SNVBAGLBSA-N 1 1 311.769 2.478 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000118973686 401916005 /nfs/dbraw/zinc/91/60/05/401916005.db2.gz HPICAHDBVDQOIG-ZBFHGGJFSA-N 1 1 317.389 2.080 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000119021713 401919499 /nfs/dbraw/zinc/91/94/99/401919499.db2.gz HEBKBOQNXZASFG-CQSZACIVSA-N 1 1 321.377 2.077 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](CO)C3)co2)cc1 ZINC000089903614 401972386 /nfs/dbraw/zinc/97/23/86/401972386.db2.gz CHBBZVWWDSUKGB-NSHDSACASA-N 1 1 303.318 2.064 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000135565029 401945540 /nfs/dbraw/zinc/94/55/40/401945540.db2.gz NQNMTQWGENPDJJ-LSDHHAIUSA-N 1 1 324.402 2.180 20 5 DEBDMO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000151183943 402021994 /nfs/dbraw/zinc/02/19/94/402021994.db2.gz JOLOHVDTERQGRP-NSHDSACASA-N 1 1 311.769 2.414 20 5 DEBDMO COc1ccc(OCC[N@@H+]2[C@@H](CO)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000122351260 402074658 /nfs/dbraw/zinc/07/46/58/402074658.db2.gz GZHGLGVAARIOQI-QWHCGFSZSA-N 1 1 324.377 2.218 20 5 DEBDMO C[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067374477 402157786 /nfs/dbraw/zinc/15/77/86/402157786.db2.gz GAAQMKVHUKFPDO-SWLSCSKDSA-N 1 1 303.362 2.432 20 5 DEBDMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103471829 402190826 /nfs/dbraw/zinc/19/08/26/402190826.db2.gz ZQRCSPFDTLKRQU-GFCCVEGCSA-N 1 1 323.368 2.472 20 5 DEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103471829 402190827 /nfs/dbraw/zinc/19/08/27/402190827.db2.gz ZQRCSPFDTLKRQU-GFCCVEGCSA-N 1 1 323.368 2.472 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000068338391 402193744 /nfs/dbraw/zinc/19/37/44/402193744.db2.gz FZJHQRQKGVMMEU-LBPRGKRZSA-N 1 1 322.409 2.121 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000107890856 402243103 /nfs/dbraw/zinc/24/31/03/402243103.db2.gz UZTWVMRWAUFTLQ-GPAKFWEMSA-N 1 1 303.362 2.066 20 5 DEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154373901 402209173 /nfs/dbraw/zinc/20/91/73/402209173.db2.gz HTEDGCKVIOFPHG-WBVHZDCISA-N 1 1 321.421 2.434 20 5 DEBDMO [NH3+]CC(F)(F)CNc1ccc([N+](=O)[O-])cc1Br ZINC000162664280 402428000 /nfs/dbraw/zinc/42/80/00/402428000.db2.gz NTIAYMMWKXYGQP-UHFFFAOYSA-N 1 1 310.098 2.363 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000178182289 402468875 /nfs/dbraw/zinc/46/88/75/402468875.db2.gz UULGSYYMIKNVTK-GFCCVEGCSA-N 1 1 320.393 2.027 20 5 DEBDMO CO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246074201 402507377 /nfs/dbraw/zinc/50/73/77/402507377.db2.gz DCKINWOMCYJYBT-CHWSQXEVSA-N 1 1 321.377 2.341 20 5 DEBDMO CO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246074201 402507379 /nfs/dbraw/zinc/50/73/79/402507379.db2.gz DCKINWOMCYJYBT-CHWSQXEVSA-N 1 1 321.377 2.341 20 5 DEBDMO CSc1ccc(C(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000171139592 402561245 /nfs/dbraw/zinc/56/12/45/402561245.db2.gz PWGONOLKSGRBNM-UHFFFAOYSA-N 1 1 311.407 2.387 20 5 DEBDMO CO[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000170821099 402529260 /nfs/dbraw/zinc/52/92/60/402529260.db2.gz SBNSEZJPOMZVLR-CQSZACIVSA-N 1 1 307.350 2.034 20 5 DEBDMO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261884029 402718612 /nfs/dbraw/zinc/71/86/12/402718612.db2.gz MXVIVZKSEUUPOD-OLZOCXBDSA-N 1 1 312.373 2.497 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255106679 402678745 /nfs/dbraw/zinc/67/87/45/402678745.db2.gz QQILZERGNPXJFX-MEJMFZKBSA-N 1 1 303.362 2.066 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255385567 402686070 /nfs/dbraw/zinc/68/60/70/402686070.db2.gz ORCAOJVYWMHQJZ-CMUBDUJZSA-N 1 1 303.362 2.209 20 5 DEBDMO C[NH2+]C[C@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000262116034 402722428 /nfs/dbraw/zinc/72/24/28/402722428.db2.gz KFDNPFFCKLXANG-GFCCVEGCSA-N 1 1 300.362 2.497 20 5 DEBDMO CC[N@@H+](CCNC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000263689267 402791871 /nfs/dbraw/zinc/79/18/71/402791871.db2.gz GRTVMBABFAHWFP-UHFFFAOYSA-N 1 1 323.418 2.287 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)C1 ZINC000263746631 402798826 /nfs/dbraw/zinc/79/88/26/402798826.db2.gz RXBUSNCNXDCBNR-LLVKDONJSA-N 1 1 307.350 2.274 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184088832 402817296 /nfs/dbraw/zinc/81/72/96/402817296.db2.gz KMJPVIWYVOBQMV-UHFFFAOYSA-N 1 1 306.362 2.224 20 5 DEBDMO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC(C)(C)O ZINC000184216079 402826989 /nfs/dbraw/zinc/82/69/89/402826989.db2.gz HARKGAYULZIXMU-UHFFFAOYSA-N 1 1 300.330 2.335 20 5 DEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000264026115 402832001 /nfs/dbraw/zinc/83/20/01/402832001.db2.gz YITQFQFLFBWAIB-AWEZNQCLSA-N 1 1 303.362 2.458 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000278559138 402867827 /nfs/dbraw/zinc/86/78/27/402867827.db2.gz WKZJQDILQGWFAA-QMTHXVAHSA-N 1 1 301.350 2.002 20 5 DEBDMO COc1cc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278946099 402888886 /nfs/dbraw/zinc/88/88/86/402888886.db2.gz WPTRFCFPFKDPJW-BETUJISGSA-N 1 1 323.393 2.149 20 5 DEBDMO COc1cc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278946099 402888888 /nfs/dbraw/zinc/88/88/88/402888888.db2.gz WPTRFCFPFKDPJW-BETUJISGSA-N 1 1 323.393 2.149 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000265168489 402897952 /nfs/dbraw/zinc/89/79/52/402897952.db2.gz YDWDWPRECQPZGF-AWEZNQCLSA-N 1 1 315.377 2.405 20 5 DEBDMO CO[C@H](C)CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272521580 402947726 /nfs/dbraw/zinc/94/77/26/402947726.db2.gz LFBCGOQPCRAORZ-DOMZBBRYSA-N 1 1 318.377 2.432 20 5 DEBDMO CC(C)Oc1nc(N(C)[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000566571598 292253340 /nfs/dbraw/zinc/25/33/40/292253340.db2.gz GGXXRVNBEGCGLZ-GFCCVEGCSA-N 1 1 308.382 2.307 20 5 DEBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280341511 402989814 /nfs/dbraw/zinc/98/98/14/402989814.db2.gz SCKKIYVHJDDCPK-MRXNPFEDSA-N 1 1 306.362 2.365 20 5 DEBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280341511 402989816 /nfs/dbraw/zinc/98/98/16/402989816.db2.gz SCKKIYVHJDDCPK-MRXNPFEDSA-N 1 1 306.362 2.365 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000273342351 402996343 /nfs/dbraw/zinc/99/63/43/402996343.db2.gz ATQHMYJSUWRFRY-LLVKDONJSA-N 1 1 308.313 2.046 20 5 DEBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000273346682 402996555 /nfs/dbraw/zinc/99/65/55/402996555.db2.gz OQJKKWGYGKYYAW-CHWSQXEVSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273515326 403011221 /nfs/dbraw/zinc/01/12/21/403011221.db2.gz XQEFJQAWQUTLRM-YMTOWFKASA-N 1 1 322.340 2.338 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(C3OCCO3)CC2)c(F)c1 ZINC000267085911 403014617 /nfs/dbraw/zinc/01/46/17/403014617.db2.gz ZLKKZVVHBNPRGG-UHFFFAOYSA-N 1 1 310.325 2.319 20 5 DEBDMO COc1ccccc1[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267098169 403015379 /nfs/dbraw/zinc/01/53/79/403015379.db2.gz SQISHMAKPWZDSV-CYBMUJFWSA-N 1 1 316.361 2.289 20 5 DEBDMO CCCC[N@@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273187400 402980765 /nfs/dbraw/zinc/98/07/65/402980765.db2.gz PDXAFCWGBIAXRS-UHFFFAOYSA-N 1 1 307.398 2.333 20 5 DEBDMO COc1cc(C[N@@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])cc1F ZINC000280267522 402981637 /nfs/dbraw/zinc/98/16/37/402981637.db2.gz YDXOODPSQJEEHS-HNNXBMFYSA-N 1 1 312.341 2.479 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])cc1F ZINC000280267522 402981638 /nfs/dbraw/zinc/98/16/38/402981638.db2.gz YDXOODPSQJEEHS-HNNXBMFYSA-N 1 1 312.341 2.479 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000274203137 403035034 /nfs/dbraw/zinc/03/50/34/403035034.db2.gz UOGQWGPQQIXZLN-IUODEOHRSA-N 1 1 313.361 2.317 20 5 DEBDMO CC1=CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000280884579 403046901 /nfs/dbraw/zinc/04/69/01/403046901.db2.gz PNSHEJHKFCTAAG-UHFFFAOYSA-N 1 1 301.346 2.136 20 5 DEBDMO CC1=CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000280884579 403046904 /nfs/dbraw/zinc/04/69/04/403046904.db2.gz PNSHEJHKFCTAAG-UHFFFAOYSA-N 1 1 301.346 2.136 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000268243957 403065816 /nfs/dbraw/zinc/06/58/16/403065816.db2.gz VNRDMKFWBOACJM-LKFCYVNXSA-N 1 1 323.780 2.461 20 5 DEBDMO CCc1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268280129 403070092 /nfs/dbraw/zinc/07/00/92/403070092.db2.gz XAOQUWGBLSSSIZ-IAQYHMDHSA-N 1 1 317.389 2.370 20 5 DEBDMO C[NH+](C)CCC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000274698857 403079444 /nfs/dbraw/zinc/07/94/44/403079444.db2.gz UELYNHWCCLWRGC-UHFFFAOYSA-N 1 1 321.377 2.104 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269487281 403143033 /nfs/dbraw/zinc/14/30/33/403143033.db2.gz BWQZXZAWPYRTQY-RISCZKNCSA-N 1 1 318.377 2.012 20 5 DEBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000277522847 403226714 /nfs/dbraw/zinc/22/67/14/403226714.db2.gz LXHZUYYLGULSSD-OAHLLOKOSA-N 1 1 303.362 2.342 20 5 DEBDMO C[N@@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000270965546 403246103 /nfs/dbraw/zinc/24/61/03/403246103.db2.gz YORCYEJRUQGHPT-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000270965546 403246105 /nfs/dbraw/zinc/24/61/05/403246105.db2.gz YORCYEJRUQGHPT-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000284693522 403271012 /nfs/dbraw/zinc/27/10/12/403271012.db2.gz IBHRNMYYDNSYKD-DAXOMENPSA-N 1 1 305.378 2.061 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000345501592 403358113 /nfs/dbraw/zinc/35/81/13/403358113.db2.gz NTPUONAGTIESLN-GFCCVEGCSA-N 1 1 323.393 2.454 20 5 DEBDMO Cc1c(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331151254 403340038 /nfs/dbraw/zinc/34/00/38/403340038.db2.gz XDXIVPOZQYNMOH-TXEJJXNPSA-N 1 1 305.378 2.392 20 5 DEBDMO CO[C@H](C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000285824265 403388629 /nfs/dbraw/zinc/38/86/29/403388629.db2.gz VQKZKEAYLWJBMH-GFCCVEGCSA-N 1 1 309.366 2.199 20 5 DEBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCCF)CC1 ZINC000293272144 403429906 /nfs/dbraw/zinc/42/99/06/403429906.db2.gz UZIXFUAHUKUXHP-UHFFFAOYSA-N 1 1 309.341 2.102 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cs1 ZINC000331534423 403410333 /nfs/dbraw/zinc/41/03/33/403410333.db2.gz HHHRBKAXFJNFAE-XQQFMLRXSA-N 1 1 312.391 2.018 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339674544 403412830 /nfs/dbraw/zinc/41/28/30/403412830.db2.gz AWNCJIMVQSILIZ-HUUCEWRRSA-N 1 1 320.389 2.457 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345708026 403447654 /nfs/dbraw/zinc/44/76/54/403447654.db2.gz DFVZAPYLENMFGU-OLZOCXBDSA-N 1 1 320.393 2.219 20 5 DEBDMO COC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332233078 403523800 /nfs/dbraw/zinc/52/38/00/403523800.db2.gz MSIKPEZQMIXNKG-NSHDSACASA-N 1 1 304.350 2.330 20 5 DEBDMO COC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332233078 403523803 /nfs/dbraw/zinc/52/38/03/403523803.db2.gz MSIKPEZQMIXNKG-NSHDSACASA-N 1 1 304.350 2.330 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1C ZINC000332244253 403528032 /nfs/dbraw/zinc/52/80/32/403528032.db2.gz QBECFANFSFZZRJ-MNOVXSKESA-N 1 1 316.361 2.241 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1C ZINC000332244253 403528035 /nfs/dbraw/zinc/52/80/35/403528035.db2.gz QBECFANFSFZZRJ-MNOVXSKESA-N 1 1 316.361 2.241 20 5 DEBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332205210 403514737 /nfs/dbraw/zinc/51/47/37/403514737.db2.gz IOUGENFKVBOXJB-JRPNMDOOSA-N 1 1 318.377 2.452 20 5 DEBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332205210 403514738 /nfs/dbraw/zinc/51/47/38/403514738.db2.gz IOUGENFKVBOXJB-JRPNMDOOSA-N 1 1 318.377 2.452 20 5 DEBDMO Cc1c(CC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000343420329 403581368 /nfs/dbraw/zinc/58/13/68/403581368.db2.gz AJKUEPAOCGRXRO-GXTWGEPZSA-N 1 1 305.378 2.045 20 5 DEBDMO CC[C@@]1(C)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343531985 403625382 /nfs/dbraw/zinc/62/53/82/403625382.db2.gz DYEPWWJPLRNHIP-CJNGLKHVSA-N 1 1 308.378 2.457 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] 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312.366 2.088 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCOCCOC ZINC000289057895 403819833 /nfs/dbraw/zinc/81/98/33/403819833.db2.gz QYRXXRURAKUDDW-UHFFFAOYSA-N 1 1 312.366 2.088 20 5 DEBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000347833429 403898514 /nfs/dbraw/zinc/89/85/14/403898514.db2.gz PLNDZPXWIIQIIH-GFCCVEGCSA-N 1 1 316.361 2.173 20 5 DEBDMO CC[C@@]1(C)COCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411421893 403851507 /nfs/dbraw/zinc/85/15/07/403851507.db2.gz IHKONCNMZWQSSG-INIZCTEOSA-N 1 1 321.377 2.424 20 5 DEBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000347833432 403899698 /nfs/dbraw/zinc/89/96/98/403899698.db2.gz PLNDZPXWIIQIIH-LBPRGKRZSA-N 1 1 316.361 2.173 20 5 DEBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000344071363 403889572 /nfs/dbraw/zinc/88/95/72/403889572.db2.gz RZPGAKKGSHDQHI-LBPRGKRZSA-N 1 1 303.362 2.482 20 5 DEBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000305232700 403889823 /nfs/dbraw/zinc/88/98/23/403889823.db2.gz TYESRRZWVHRVQX-OLZOCXBDSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000411777482 403966535 /nfs/dbraw/zinc/96/65/35/403966535.db2.gz ANNUXQUTRRZADS-LLVKDONJSA-N 1 1 309.366 2.015 20 5 DEBDMO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347958708 403977180 /nfs/dbraw/zinc/97/71/80/403977180.db2.gz OOQKZZKJFPYOSY-ZIBATOQPSA-N 1 1 323.368 2.436 20 5 DEBDMO COC(=O)[C@]1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000337471445 404047191 /nfs/dbraw/zinc/04/71/91/404047191.db2.gz WDEGBWFUWUQQEL-BLLLJJGKSA-N 1 1 322.361 2.105 20 5 DEBDMO C[C@@H]1CC(C)(C)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412020274 404059157 /nfs/dbraw/zinc/05/91/57/404059157.db2.gz ICKJKMGOJBZLDR-TZMCWYRMSA-N 1 1 308.378 2.455 20 5 DEBDMO CS[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000296219540 404149405 /nfs/dbraw/zinc/14/94/05/404149405.db2.gz KCWIKVINJGMRQL-NSHDSACASA-N 1 1 309.391 2.361 20 5 DEBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCOC1 ZINC000352221625 404225223 /nfs/dbraw/zinc/22/52/23/404225223.db2.gz MUAWSEYGOYTRTL-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCOC1 ZINC000352221625 404225231 /nfs/dbraw/zinc/22/52/31/404225231.db2.gz MUAWSEYGOYTRTL-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCCOC1 ZINC000352211285 404216662 /nfs/dbraw/zinc/21/66/62/404216662.db2.gz JPGUMFCBAXHQLU-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO CC[N@@H+](C[C@@H](C)O)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352213509 404219152 /nfs/dbraw/zinc/21/91/52/404219152.db2.gz VKHOWFKVEXOFLZ-GHMZBOCLSA-N 1 1 320.349 2.409 20 5 DEBDMO CC(C)OCC[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000349859316 404232907 /nfs/dbraw/zinc/23/29/07/404232907.db2.gz ZRGYWILBRQBMHY-INIZCTEOSA-N 1 1 308.378 2.129 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000344618708 404265155 /nfs/dbraw/zinc/26/51/55/404265155.db2.gz PUHMTVRWEHLFOV-HNNXBMFYSA-N 1 1 319.405 2.374 20 5 DEBDMO C[N@@H+](C[C@@H](O)COc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000290802582 404319065 /nfs/dbraw/zinc/31/90/65/404319065.db2.gz PYRGNSLURAXODM-SNVBAGLBSA-N 1 1 300.742 2.082 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000296989408 404402109 /nfs/dbraw/zinc/40/21/09/404402109.db2.gz YIEWISOZIWMIFR-INIZCTEOSA-N 1 1 318.377 2.463 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000338637918 404453969 /nfs/dbraw/zinc/45/39/69/404453969.db2.gz ZLFPSQRMUBAVJI-AWEZNQCLSA-N 1 1 323.393 2.372 20 5 DEBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000414503455 404660119 /nfs/dbraw/zinc/66/01/19/404660119.db2.gz WHUTWIOTDXKAEP-BRLPQQTGSA-N 1 1 303.362 2.018 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342608743 404675758 /nfs/dbraw/zinc/67/57/58/404675758.db2.gz UAKCHKBYPXZFGJ-DOMZBBRYSA-N 1 1 321.377 2.423 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000330525140 404680821 /nfs/dbraw/zinc/68/08/21/404680821.db2.gz CICMOYBFABQAFC-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000330525140 404680826 /nfs/dbraw/zinc/68/08/26/404680826.db2.gz CICMOYBFABQAFC-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000330579194 404691976 /nfs/dbraw/zinc/69/19/76/404691976.db2.gz IAZLLURWILMJIS-NWDGAFQWSA-N 1 1 323.418 2.238 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000330579194 404691978 /nfs/dbraw/zinc/69/19/78/404691978.db2.gz IAZLLURWILMJIS-NWDGAFQWSA-N 1 1 323.418 2.238 20 5 DEBDMO Cc1cc(OCC(=O)N[C@@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000356811764 404698964 /nfs/dbraw/zinc/69/89/64/404698964.db2.gz PWOZFKVARZHVTC-ZDUSSCGKSA-N 1 1 323.393 2.127 20 5 DEBDMO [NH3+]CC(F)(F)CN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414929907 404769121 /nfs/dbraw/zinc/76/91/21/404769121.db2.gz OKUPWQSDAZGHAC-DGCLKSJQSA-N 1 1 313.348 2.490 20 5 DEBDMO NCC(F)(F)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414929907 404769124 /nfs/dbraw/zinc/76/91/24/404769124.db2.gz OKUPWQSDAZGHAC-DGCLKSJQSA-N 1 1 313.348 2.490 20 5 DEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000376189811 404816067 /nfs/dbraw/zinc/81/60/67/404816067.db2.gz UCDRJMZPOZLDKQ-ZIAGYGMSSA-N 1 1 319.361 2.073 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)C1 ZINC000366574441 404818113 /nfs/dbraw/zinc/81/81/13/404818113.db2.gz YBFUVCRJJSTRSE-OAHLLOKOSA-N 1 1 323.780 2.416 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)C1 ZINC000366574439 404818369 /nfs/dbraw/zinc/81/83/69/404818369.db2.gz YBFUVCRJJSTRSE-HNNXBMFYSA-N 1 1 323.780 2.416 20 5 DEBDMO C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H](C)[N@@H+]1C ZINC000358732616 404773298 /nfs/dbraw/zinc/77/32/98/404773298.db2.gz FQCXHWCMDYNMJT-PHIMTYICSA-N 1 1 316.361 2.241 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000360905234 404849089 /nfs/dbraw/zinc/84/90/89/404849089.db2.gz XVIZBIKNFKWOPH-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000361222270 404981775 /nfs/dbraw/zinc/98/17/75/404981775.db2.gz WTFFDNKKUPCDOH-GFCCVEGCSA-N 1 1 320.393 2.241 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000354005628 404996207 /nfs/dbraw/zinc/99/62/07/404996207.db2.gz SESKIPJLQGWQAC-LLVKDONJSA-N 1 1 316.361 2.242 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000408077300 405107734 /nfs/dbraw/zinc/10/77/34/405107734.db2.gz VUUNICUZGQPKPN-GFCCVEGCSA-N 1 1 305.378 2.296 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000408077300 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IPVHSDOHUMDMSA-ZJUUUORDSA-N 1 1 316.304 2.399 20 5 DEBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000425987131 405334070 /nfs/dbraw/zinc/33/40/70/405334070.db2.gz IPVHSDOHUMDMSA-ZJUUUORDSA-N 1 1 316.304 2.399 20 5 DEBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCC[C@H]1O ZINC000426200287 405343334 /nfs/dbraw/zinc/34/33/34/405343334.db2.gz WEFITOVNIMIINW-CHWSQXEVSA-N 1 1 305.334 2.471 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000427391784 405403573 /nfs/dbraw/zinc/40/35/73/405403573.db2.gz PKDAEDLCXQNSFS-RYUDHWBXSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420941886 405411656 /nfs/dbraw/zinc/41/16/56/405411656.db2.gz OKRDSGLTJHTLDO-OLZOCXBDSA-N 1 1 308.378 2.444 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421024604 405433093 /nfs/dbraw/zinc/43/30/93/405433093.db2.gz CJKCZIJLERCAIS-GFCCVEGCSA-N 1 1 322.365 2.161 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000421360148 405471119 /nfs/dbraw/zinc/47/11/19/405471119.db2.gz IFULULQUBSNJPK-DJXGBFBFSA-N 1 1 320.389 2.470 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000421360148 405471130 /nfs/dbraw/zinc/47/11/30/405471130.db2.gz IFULULQUBSNJPK-DJXGBFBFSA-N 1 1 320.389 2.470 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421739991 405622836 /nfs/dbraw/zinc/62/28/36/405622836.db2.gz GIEZQKFTTQIBHP-ZDUSSCGKSA-N 1 1 305.378 2.426 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H]3CCSC3)C2)nc1 ZINC000494931309 405785119 /nfs/dbraw/zinc/78/51/19/405785119.db2.gz ANRZHNSVJLCEBH-RYUDHWBXSA-N 1 1 308.407 2.229 20 5 DEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C ZINC000487604099 406250844 /nfs/dbraw/zinc/25/08/44/406250844.db2.gz KBMPMPPIAIPZNG-VXGBXAGGSA-N 1 1 320.393 2.122 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000523352516 406421826 /nfs/dbraw/zinc/42/18/26/406421826.db2.gz KSZGPLIYMZNMHM-GFCCVEGCSA-N 1 1 321.377 2.064 20 5 DEBDMO COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1F ZINC000546636625 406368659 /nfs/dbraw/zinc/36/86/59/406368659.db2.gz BVTJKLMTFHMVSA-QWRGUYRKSA-N 1 1 312.341 2.335 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1F ZINC000546636625 406368667 /nfs/dbraw/zinc/36/86/67/406368667.db2.gz BVTJKLMTFHMVSA-QWRGUYRKSA-N 1 1 312.341 2.335 20 5 DEBDMO COc1cc(N[C@@H]2CCn3cc[nH+]c3C2)c(F)cc1[N+](=O)[O-] ZINC000489932978 406440165 /nfs/dbraw/zinc/44/01/65/406440165.db2.gz FEWIYLNPKCHREV-SECBINFHSA-N 1 1 306.297 2.366 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1CNCC[N@H+]1CC[C@H](C)C1 ZINC000524771191 406458265 /nfs/dbraw/zinc/45/82/65/406458265.db2.gz SVWRGIPEOQUPBM-ZDUSSCGKSA-N 1 1 307.394 2.425 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CC[C@H](C)C1 ZINC000524771191 406458271 /nfs/dbraw/zinc/45/82/71/406458271.db2.gz SVWRGIPEOQUPBM-ZDUSSCGKSA-N 1 1 307.394 2.425 20 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222054672 /nfs/dbraw/zinc/05/46/72/222054672.db2.gz XKDAVNKFMAMYOU-LLVKDONJSA-N 1 1 323.393 2.370 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000299673755 229323104 /nfs/dbraw/zinc/32/31/04/229323104.db2.gz UAHDXCOTSJCZHZ-LBPRGKRZSA-N 1 1 303.362 2.117 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000360970693 424841081 /nfs/dbraw/zinc/84/10/81/424841081.db2.gz SXUWUBRRLGAPSC-LBPRGKRZSA-N 1 1 315.377 2.682 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000591179098 425000046 /nfs/dbraw/zinc/00/00/46/425000046.db2.gz FGMXZQDADXPYAN-LBPRGKRZSA-N 1 1 315.377 2.682 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596077363 425017702 /nfs/dbraw/zinc/01/77/02/425017702.db2.gz VDRZMGOJJMJSBC-LBPRGKRZSA-N 1 1 307.398 2.639 20 5 DEBDMO C[C@@H]1[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CCC[N@H+]1C ZINC000450443749 425073346 /nfs/dbraw/zinc/07/33/46/425073346.db2.gz VXNOJAUDPNXRCB-IAQYHMDHSA-N 1 1 300.362 3.038 20 5 DEBDMO CC(C)Oc1nc(NCCCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000594584517 425013155 /nfs/dbraw/zinc/01/31/55/425013155.db2.gz PBLYCVHWYMANRW-UHFFFAOYSA-N 1 1 322.409 3.063 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000077368728 267375580 /nfs/dbraw/zinc/37/55/80/267375580.db2.gz CAQGUNULYGTTRD-BETUJISGSA-N 1 1 321.377 2.341 20 5 DEBDMO CN1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1=O ZINC000514612832 269325140 /nfs/dbraw/zinc/32/51/40/269325140.db2.gz WZLZOVAHEGARPR-LBPRGKRZSA-N 1 1 311.769 2.301 20 5 DEBDMO CN1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1=O ZINC000514612832 269325142 /nfs/dbraw/zinc/32/51/42/269325142.db2.gz WZLZOVAHEGARPR-LBPRGKRZSA-N 1 1 311.769 2.301 20 5 DEBDMO O=C1CCCN1[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000523702120 269469537 /nfs/dbraw/zinc/46/95/37/269469537.db2.gz NEMAMSREQHRMEX-INIZCTEOSA-N 1 1 317.389 2.224 20 5 DEBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCCC[C@H]23)nc2sccn21 ZINC000048336902 275032722 /nfs/dbraw/zinc/03/27/22/275032722.db2.gz TVKFDORIPUVICW-NXEZZACHSA-N 1 1 307.379 2.343 20 5 DEBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC[N@H+]3CCC[C@@H]3C2)s1 ZINC000376219662 275034151 /nfs/dbraw/zinc/03/41/51/275034151.db2.gz GFHZGKXZANPCPZ-SNVBAGLBSA-N 1 1 319.390 2.274 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345907043 276248633 /nfs/dbraw/zinc/24/86/33/276248633.db2.gz NIQAUVOCGAOHJA-STQMWFEESA-N 1 1 305.378 2.458 20 5 DEBDMO COC(=O)[C@@H]([NH2+]CCCNc1ccc(C)cc1[N+](=O)[O-])C(C)C ZINC000450604423 277341553 /nfs/dbraw/zinc/34/15/53/277341553.db2.gz WGUWSZVGNNXLRT-HNNXBMFYSA-N 1 1 323.393 2.492 20 5 DEBDMO COc1cccc(N2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000185507850 278015972 /nfs/dbraw/zinc/01/59/72/278015972.db2.gz RYFMRGGDJDBQPX-UHFFFAOYSA-N 1 1 323.393 2.150 20 5 DEBDMO C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000176162346 278281838 /nfs/dbraw/zinc/28/18/38/278281838.db2.gz LMXINWGZGIJHMH-VIFPVBQESA-N 1 1 311.769 2.461 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1C ZINC000408092294 289012003 /nfs/dbraw/zinc/01/20/03/289012003.db2.gz YMOTYRRUBUKBGE-MNOVXSKESA-N 1 1 316.361 2.241 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000574885979 326196919 /nfs/dbraw/zinc/19/69/19/326196919.db2.gz LKHMTYPVRNYAAZ-NSHDSACASA-N 1 1 322.365 2.161 20 5 DEBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@H+](C2CCC2)C1 ZINC000583368709 332363486 /nfs/dbraw/zinc/36/34/86/332363486.db2.gz LVJGDNWELOQYSH-LLVKDONJSA-N 1 1 308.357 2.440 20 5 DEBDMO COC(=O)Cc1ccc(NCCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000296656590 533761527 /nfs/dbraw/zinc/76/15/27/533761527.db2.gz XZPAMCZMJSLFKL-UHFFFAOYSA-N 1 1 323.393 2.453 20 5 DEBDMO C[NH+](C)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccco1 ZINC000124612536 522020104 /nfs/dbraw/zinc/02/01/04/522020104.db2.gz KLQAYSPSHMUGIP-LBPRGKRZSA-N 1 1 319.321 2.007 20 5 DEBDMO C[N@H+]1CCC[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163813920 523845147 /nfs/dbraw/zinc/84/51/47/523845147.db2.gz MZKLBLUTWRJBCO-HNNXBMFYSA-N 1 1 303.362 2.180 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCOC(C)(C)C1 ZINC000370926048 526168618 /nfs/dbraw/zinc/16/86/18/526168618.db2.gz YTYINENSTWLJAM-GFCCVEGCSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCOC(C)(C)C1 ZINC000370926048 526168624 /nfs/dbraw/zinc/16/86/24/526168624.db2.gz YTYINENSTWLJAM-GFCCVEGCSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H](C1CCCCC1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000338362235 526215832 /nfs/dbraw/zinc/21/58/32/526215832.db2.gz YFPMWLRQLNRMDA-DOMZBBRYSA-N 1 1 310.398 2.053 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000368230573 527487932 /nfs/dbraw/zinc/48/79/32/527487932.db2.gz DUKVZKMSUDPDGF-GZBFAFLISA-N 1 1 322.409 2.234 20 5 DEBDMO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)(C)O ZINC000444624168 528155135 /nfs/dbraw/zinc/15/51/35/528155135.db2.gz LERGKGQMCYXDMG-UHFFFAOYSA-N 1 1 306.366 2.454 20 5 DEBDMO CCCC[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411226017 528428328 /nfs/dbraw/zinc/42/83/28/528428328.db2.gz OBKZYHOCJJCYAW-UHFFFAOYSA-N 1 1 309.366 2.018 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330966847 528743333 /nfs/dbraw/zinc/74/33/33/528743333.db2.gz HXVSGDMRIRONEK-HNNXBMFYSA-N 1 1 320.393 2.250 20 5 DEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362067860 535021522 /nfs/dbraw/zinc/02/15/22/535021522.db2.gz QXWLYQDJUCVHGN-GXTWGEPZSA-N 1 1 308.378 2.442 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000493462838 536362192 /nfs/dbraw/zinc/36/21/92/536362192.db2.gz KCDZEPXEYVJROE-PPYMECGQSA-N 1 1 317.389 2.456 20 5 DEBDMO Cc1csc(C[C@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)n1 ZINC000933127545 624102758 /nfs/dbraw/zinc/10/27/58/624102758.db2.gz YURNUKAWYOBEKH-LLVKDONJSA-N 1 1 321.406 2.158 20 5 DEBDMO COc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000892078094 624773257 /nfs/dbraw/zinc/77/32/57/624773257.db2.gz GOJWTQMJCRNVKG-NSHDSACASA-N 1 1 318.333 2.278 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000892078094 624773261 /nfs/dbraw/zinc/77/32/61/624773261.db2.gz GOJWTQMJCRNVKG-NSHDSACASA-N 1 1 318.333 2.278 20 5 DEBDMO CCC1(O)CC[NH+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000892105482 624783839 /nfs/dbraw/zinc/78/38/39/624783839.db2.gz LWYQSCHHUVPNJO-UHFFFAOYSA-N 1 1 310.350 2.046 20 5 DEBDMO CCCNC(=O)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051402162 624808358 /nfs/dbraw/zinc/80/83/58/624808358.db2.gz YSLPYSIAGFWBPE-UHFFFAOYSA-N 1 1 323.368 2.472 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1[N+](=O)[O-] ZINC000892174887 624816029 /nfs/dbraw/zinc/81/60/29/624816029.db2.gz HCNOLXQWZSWOOT-LBPRGKRZSA-N 1 1 312.366 2.148 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934332818 624846545 /nfs/dbraw/zinc/84/65/45/624846545.db2.gz UEPDCNMWJXTYMQ-LBPRGKRZSA-N 1 1 321.406 2.121 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])C1CC1 ZINC000176797966 625237773 /nfs/dbraw/zinc/23/77/73/625237773.db2.gz DPCPNYDRTQUOBV-UHFFFAOYSA-N 1 1 309.341 2.256 20 5 DEBDMO C[C@]1(O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000235761005 625949179 /nfs/dbraw/zinc/94/91/79/625949179.db2.gz ZSMAGWMLFAOHJR-LBPRGKRZSA-N 1 1 315.167 2.314 20 5 DEBDMO C[C@]1(O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000235761005 625949184 /nfs/dbraw/zinc/94/91/84/625949184.db2.gz ZSMAGWMLFAOHJR-LBPRGKRZSA-N 1 1 315.167 2.314 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C3OCCO3)C2)ccc1Cl ZINC000932003379 635925999 /nfs/dbraw/zinc/92/59/99/635925999.db2.gz QEUADVRVPYOUNS-LLVKDONJSA-N 1 1 312.753 2.443 20 5 DEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2OCCCO2)c1 ZINC000922276389 636056528 /nfs/dbraw/zinc/05/65/28/636056528.db2.gz GAJGTLBMYCKVLB-UHFFFAOYSA-N 1 1 318.276 2.049 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000894125577 636253856 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323.368 2.219 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1F ZINC000823468528 648427548 /nfs/dbraw/zinc/42/75/48/648427548.db2.gz HPLJVXYZHQIEQM-GFCCVEGCSA-N 1 1 305.313 2.163 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)cc1F ZINC000823468528 648427551 /nfs/dbraw/zinc/42/75/51/648427551.db2.gz HPLJVXYZHQIEQM-GFCCVEGCSA-N 1 1 305.313 2.163 20 5 DEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000826674177 648904591 /nfs/dbraw/zinc/90/45/91/648904591.db2.gz RHSXDLMRMAVNSQ-ZDUSSCGKSA-N 1 1 320.393 2.450 20 5 DEBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1COCCO1 ZINC000827141640 648980661 /nfs/dbraw/zinc/98/06/61/648980661.db2.gz WHJDJYHWDAKOBS-LLVKDONJSA-N 1 1 300.742 2.095 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827367036 649023939 /nfs/dbraw/zinc/02/39/39/649023939.db2.gz PZYJAZKLQUGXNX-KBPBESRZSA-N 1 1 303.362 2.069 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C[N@H+]1C1CC1 ZINC000829863580 649366172 /nfs/dbraw/zinc/36/61/72/649366172.db2.gz PUUGUIMRZPCTIG-UWVGGRQHSA-N 1 1 307.325 2.089 20 5 DEBDMO C[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000830733581 649488435 /nfs/dbraw/zinc/48/84/35/649488435.db2.gz AOPYKFQENZVFJK-WFASDCNBSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000830733581 649488437 /nfs/dbraw/zinc/48/84/37/649488437.db2.gz AOPYKFQENZVFJK-WFASDCNBSA-N 1 1 306.362 2.272 20 5 DEBDMO Cc1cc(Cl)c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000834657197 649827174 /nfs/dbraw/zinc/82/71/74/649827174.db2.gz SUYLALQICKWLKG-PHIMTYICSA-N 1 1 323.780 2.190 20 5 DEBDMO CCOC(=O)CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000847084458 651374379 /nfs/dbraw/zinc/37/43/79/651374379.db2.gz KVNSNYCSSGCJKR-HNNXBMFYSA-N 1 1 324.377 2.292 20 5 DEBDMO CNc1c(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000847821923 651420639 /nfs/dbraw/zinc/42/06/39/651420639.db2.gz PVYCSSGDCNTZTP-NSHDSACASA-N 1 1 307.350 2.135 20 5 DEBDMO C[C@H](O[NH+]=C(N)[C@H]1C[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000848517635 651465801 /nfs/dbraw/zinc/46/58/01/651465801.db2.gz HBNACICHFSZIHU-AUTRQRHGSA-N 1 1 306.322 2.076 20 5 DEBDMO COC[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000112960186 651614071 /nfs/dbraw/zinc/61/40/71/651614071.db2.gz WAKDBQQXTABEMA-GFCCVEGCSA-N 1 1 304.350 2.260 20 5 DEBDMO CCN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1CC[N@@H+](CC)C1 ZINC000855487331 651708294 /nfs/dbraw/zinc/70/82/94/651708294.db2.gz UBARKNIZSZYGDE-GFCCVEGCSA-N 1 1 309.341 2.290 20 5 DEBDMO CCN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1CC[N@@H+](CC)C1 ZINC000855487333 651708392 /nfs/dbraw/zinc/70/83/92/651708392.db2.gz UBARKNIZSZYGDE-LBPRGKRZSA-N 1 1 309.341 2.290 20 5 DEBDMO Cn1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Cl)n1 ZINC000857040256 652038134 /nfs/dbraw/zinc/03/81/34/652038134.db2.gz PXNIWARMWOLTJY-UHFFFAOYSA-N 1 1 324.772 2.015 20 5 DEBDMO C[C@@H]1C[N@@H+](CCN2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H](C)O1 ZINC000851869346 652266248 /nfs/dbraw/zinc/26/62/48/652266248.db2.gz DQMAZEWHRLDKEO-OKILXGFUSA-N 1 1 319.405 2.062 20 5 DEBDMO C[C@@H]1C[N@H+](CCN2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H](C)O1 ZINC000851869346 652266250 /nfs/dbraw/zinc/26/62/50/652266250.db2.gz DQMAZEWHRLDKEO-OKILXGFUSA-N 1 1 319.405 2.062 20 5 DEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000858677353 685579152 /nfs/dbraw/zinc/57/91/52/685579152.db2.gz VLTQMXCDUXFVQE-LBPRGKRZSA-N 1 1 313.357 2.430 20 5 DEBDMO CC(C)OC[C@@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000097038984 684054806 /nfs/dbraw/zinc/05/48/06/684054806.db2.gz WUWNYXOBKWQPRJ-ZDUSSCGKSA-N 1 1 316.785 2.466 20 5 DEBDMO CC(C)OC[C@@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000097038984 684054809 /nfs/dbraw/zinc/05/48/09/684054809.db2.gz WUWNYXOBKWQPRJ-ZDUSSCGKSA-N 1 1 316.785 2.466 20 5 DEBDMO C[N@@H+](CCCn1ccnc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000130634330 684191305 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O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000864905452 686880166 /nfs/dbraw/zinc/88/01/66/686880166.db2.gz CIWRBCVENQVWKU-STQMWFEESA-N 1 1 321.352 2.019 20 5 DEBDMO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000930099499 694089874 /nfs/dbraw/zinc/08/98/74/694089874.db2.gz LUTLAOKQZWBRBO-GXTWGEPZSA-N 1 1 304.346 2.152 20 5 DEBDMO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000930099499 694089876 /nfs/dbraw/zinc/08/98/76/694089876.db2.gz LUTLAOKQZWBRBO-GXTWGEPZSA-N 1 1 304.346 2.152 20 5 DEBDMO Cc1nc(F)ccc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000865705597 687307701 /nfs/dbraw/zinc/30/77/01/687307701.db2.gz VJHBCZBWZRZDDM-INIZCTEOSA-N 1 1 319.336 2.435 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000865925689 687381152 /nfs/dbraw/zinc/38/11/52/687381152.db2.gz LJAZAJJSYFTRJG-LBPRGKRZSA-N 1 1 303.366 2.163 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865967964 687395774 /nfs/dbraw/zinc/39/57/74/687395774.db2.gz JRVVVRPQTLZYEF-NSHDSACASA-N 1 1 311.357 2.370 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC[C@H]21 ZINC000866208995 687492444 /nfs/dbraw/zinc/49/24/44/687492444.db2.gz MUTRMWZQIIIZIT-UKRRQHHQSA-N 1 1 316.405 2.399 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CC[C@@H]21 ZINC000866210147 687493504 /nfs/dbraw/zinc/49/35/04/687493504.db2.gz YLAKJBVTHWSVKK-AAEUAGOBSA-N 1 1 313.361 2.068 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000866209773 687493807 /nfs/dbraw/zinc/49/38/07/687493807.db2.gz VZBHZAGMPNHNMA-GXSJLCMTSA-N 1 1 319.390 2.130 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000866457603 687580195 /nfs/dbraw/zinc/58/01/95/687580195.db2.gz QXLVSNHFDXNXCW-JQWIXIFHSA-N 1 1 321.352 2.018 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000930317591 694135221 /nfs/dbraw/zinc/13/52/21/694135221.db2.gz VHGHYAGJVOBXGV-NEPJUHHUSA-N 1 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C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000870896966 688681248 /nfs/dbraw/zinc/68/12/48/688681248.db2.gz VWAZWUAISIJRDX-JRPNMDOOSA-N 1 1 323.418 2.121 20 5 DEBDMO C[C@]([NH3+])(C(=O)N1CCC[C@@H](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000870955727 688694988 /nfs/dbraw/zinc/69/49/88/688694988.db2.gz YGYLBXNJNNNBHP-BLLLJJGKSA-N 1 1 323.368 2.367 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871150298 688735957 /nfs/dbraw/zinc/73/59/57/688735957.db2.gz NASGXCFJMIXDKV-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO COc1cc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000871153081 688736693 /nfs/dbraw/zinc/73/66/93/688736693.db2.gz FIXNOVVYZGCXQJ-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO CC(C)N1C[C@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1=O ZINC000872046945 688919324 /nfs/dbraw/zinc/91/93/24/688919324.db2.gz AABXVMZEQXKUAO-WDEREUQCSA-N 1 1 309.341 2.394 20 5 DEBDMO Cc1nn(C[NH+]2CCC(C)(F)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000872692059 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IROIHJQZJMCLCG-LRDDRELGSA-N 1 1 305.378 2.273 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000877951032 690268397 /nfs/dbraw/zinc/26/83/97/690268397.db2.gz HUABBFOLDNPQPO-JTQLQIEISA-N 1 1 312.757 2.464 20 5 DEBDMO C[N@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000878840118 690510556 /nfs/dbraw/zinc/51/05/56/690510556.db2.gz KNZFVJFCWHKCSN-HOTGVXAUSA-N 1 1 321.421 2.290 20 5 DEBDMO CN1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000878840118 690510560 /nfs/dbraw/zinc/51/05/60/690510560.db2.gz KNZFVJFCWHKCSN-HOTGVXAUSA-N 1 1 321.421 2.290 20 5 DEBDMO CN1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000878840118 690510565 /nfs/dbraw/zinc/51/05/65/690510565.db2.gz KNZFVJFCWHKCSN-HOTGVXAUSA-N 1 1 321.421 2.290 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000878899965 690523857 /nfs/dbraw/zinc/52/38/57/690523857.db2.gz QVIRXNLABNFCSW-GFCCVEGCSA-N 1 1 306.366 2.427 20 5 DEBDMO 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DNVPHTUCELDBST-ZDUSSCGKSA-N 1 1 308.382 2.213 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCCNc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001167751617 778414303 /nfs/dbraw/zinc/41/43/03/778414303.db2.gz MLINHNUWWTYAPP-LLVKDONJSA-N 1 1 312.345 2.044 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(N)[nH+]c2C)c1 ZINC001167786604 778573184 /nfs/dbraw/zinc/57/31/84/778573184.db2.gz GMXZRDNTBSMIAA-UHFFFAOYSA-N 1 1 316.317 2.279 20 5 DEBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000745084532 784677549 /nfs/dbraw/zinc/67/75/49/784677549.db2.gz UPVYBTIYVMRGLT-HNNXBMFYSA-N 1 1 322.361 2.391 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000745084532 784677557 /nfs/dbraw/zinc/67/75/57/784677557.db2.gz UPVYBTIYVMRGLT-HNNXBMFYSA-N 1 1 322.361 2.391 20 5 DEBDMO [NH3+]Cc1ccc2ncn(-c3ccc4[nH]cnc4c3[N+](=O)[O-])c2c1 ZINC001168848770 784947377 /nfs/dbraw/zinc/94/73/77/784947377.db2.gz YVCYLJDDLJVJQY-UHFFFAOYSA-N 1 1 308.301 2.269 20 5 DEBDMO CC(C)[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168964621 784989423 /nfs/dbraw/zinc/98/94/23/784989423.db2.gz UPMBQFVFKUYMOV-YNEHKIRRSA-N 1 1 300.399 2.388 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCN(c3ccccn3)CC2)C1 ZINC001169008169 785000666 /nfs/dbraw/zinc/00/06/66/785000666.db2.gz RNXSADQHURXCNX-HUUCEWRRSA-N 1 1 304.394 2.039 20 5 DEBDMO C[N@H+]1CC[C@H](Nc2cc([N+](=O)[O-])cc3c(Cl)ncnc23)C1 ZINC001156581474 785705587 /nfs/dbraw/zinc/70/55/87/785705587.db2.gz PXZVVLLCUYDOKR-QMMMGPOBSA-N 1 1 307.741 2.307 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329067 786911649 /nfs/dbraw/zinc/91/16/49/786911649.db2.gz NVWXOSRTAVLPTD-WBMJQRKESA-N 1 1 308.378 2.239 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC001170329568 786911737 /nfs/dbraw/zinc/91/17/37/786911737.db2.gz RPOAMPSKIKTFCS-GXTWGEPZSA-N 1 1 308.378 2.381 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)c([N+](=O)[O-])c1 ZINC001170352073 786931815 /nfs/dbraw/zinc/93/18/15/786931815.db2.gz KYKZSDBMWRBOHA-FPMFFAJLSA-N 1 1 318.373 2.445 20 5 DEBDMO CCC[N@@H+](C)CC(=O)N(C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC001101705631 793330287 /nfs/dbraw/zinc/33/02/87/793330287.db2.gz PWPZRILNEKLFIL-UHFFFAOYSA-N 1 1 322.409 2.115 20 5 DEBDMO CC[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(=O)OC ZINC001172900009 793523313 /nfs/dbraw/zinc/52/33/13/793523313.db2.gz RFCGCBIPUNRGOE-DZGCQCFKSA-N 1 1 306.362 2.383 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCN3CC[C@H]3C1)CC2 ZINC001172912226 793544311 /nfs/dbraw/zinc/54/43/11/793544311.db2.gz JWZPMHZXFVSTKR-RDJZCZTQSA-N 1 1 301.390 2.232 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC[N@@H+]3CC[C@H]3C1)CC2 ZINC001172912226 793544315 /nfs/dbraw/zinc/54/43/15/793544315.db2.gz JWZPMHZXFVSTKR-RDJZCZTQSA-N 1 1 301.390 2.232 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC[N@H+]3CC[C@H]3C1)CC2 ZINC001172912226 793544316 /nfs/dbraw/zinc/54/43/16/793544316.db2.gz JWZPMHZXFVSTKR-RDJZCZTQSA-N 1 1 301.390 2.232 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)C[C@H](C)C[NH3+])c1F ZINC001173178208 793620917 /nfs/dbraw/zinc/62/09/17/793620917.db2.gz BMMFCRLATAZMMV-GHMZBOCLSA-N 1 1 313.373 2.200 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)C[C@H](C)C[NH3+])c1F ZINC001173178208 793620921 /nfs/dbraw/zinc/62/09/21/793620921.db2.gz BMMFCRLATAZMMV-GHMZBOCLSA-N 1 1 313.373 2.200 20 5 DEBDMO COC[C@H]1CC[N@@H+]1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192117 793623152 /nfs/dbraw/zinc/62/31/52/793623152.db2.gz IAVUONXNMHXOJI-GHMZBOCLSA-N 1 1 312.341 2.394 20 5 DEBDMO COC[C@H]1CC[N@H+]1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192117 793623154 /nfs/dbraw/zinc/62/31/54/793623154.db2.gz IAVUONXNMHXOJI-GHMZBOCLSA-N 1 1 312.341 2.394 20 5 DEBDMO Nc1nnc([C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)o1 ZINC001174964318 794113761 /nfs/dbraw/zinc/11/37/61/794113761.db2.gz FLXQKSVQIYQAAW-SECBINFHSA-N 1 1 321.312 2.079 20 5 DEBDMO Nc1nnc([C@@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)o1 ZINC001174964318 794113763 /nfs/dbraw/zinc/11/37/63/794113763.db2.gz FLXQKSVQIYQAAW-SECBINFHSA-N 1 1 321.312 2.079 20 5 DEBDMO CCC(=O)NC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001176146317 794356467 /nfs/dbraw/zinc/35/64/67/794356467.db2.gz SRMPOFNXDVFGLV-UHFFFAOYSA-N 1 1 309.341 2.225 20 5 DEBDMO O=[N+]([O-])c1cccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001177803713 794755676 /nfs/dbraw/zinc/75/56/76/794755676.db2.gz DQGWZXIHRWFRNU-QGZVFWFLSA-N 1 1 319.405 2.328 20 5 DEBDMO C[NH+](C)[C@@H]1CCCC[C@@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001118087768 795151420 /nfs/dbraw/zinc/15/14/20/795151420.db2.gz FQQOQHZSRRQMQD-ARFHVFGLSA-N 1 1 307.394 2.091 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001118567254 795199629 /nfs/dbraw/zinc/19/96/29/795199629.db2.gz VDZQBOSGMSAEID-AWEZNQCLSA-N 1 1 318.377 2.104 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001119384741 795295049 /nfs/dbraw/zinc/29/50/49/795295049.db2.gz BINJJZUDTBXAKW-JTQLQIEISA-N 1 1 310.329 2.292 20 5 DEBDMO CN(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001120609787 795497812 /nfs/dbraw/zinc/49/78/12/795497812.db2.gz GFYKQLMDAVNFKI-HRCADAONSA-N 1 1 319.405 2.091 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc([N+](=O)[O-])c1 ZINC001123454430 795915801 /nfs/dbraw/zinc/91/58/01/795915801.db2.gz YBDQVPKHAWBEGS-DOMZBBRYSA-N 1 1 318.377 2.461 20 5 DEBDMO Cc1cccc(C[N@H+]2CC[C@@H](Nc3ccncc3[N+](=O)[O-])C2)c1 ZINC001187190616 796497558 /nfs/dbraw/zinc/49/75/58/796497558.db2.gz RVPSQJLPCKVNAU-OAHLLOKOSA-N 1 1 312.373 2.407 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1C ZINC001187446413 796537514 /nfs/dbraw/zinc/53/75/14/796537514.db2.gz YIZQUAZVKHTFKP-TXEJJXNPSA-N 1 1 303.366 2.161 20 5 DEBDMO CCc1cc(N2CC[C@H]2[NH2+]C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001156660890 798056733 /nfs/dbraw/zinc/05/67/33/798056733.db2.gz SDVYXRNRCNOZHX-AWEZNQCLSA-N 1 1 313.361 2.370 20 5 DEBDMO COc1cc(C)nc(N2CC[C@@H]([N@@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157009583 798127373 /nfs/dbraw/zinc/12/73/73/798127373.db2.gz KRASRRLHFYHYTB-GFCCVEGCSA-N 1 1 308.382 2.226 20 5 DEBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001157010160 798127384 /nfs/dbraw/zinc/12/73/84/798127384.db2.gz PKNNVKPJGFXGRR-CYBMUJFWSA-N 1 1 315.377 2.457 20 5 DEBDMO COc1c(C(=O)NCc2cnc(C(C)C)[nH]2)cccc1[N+](=O)[O-] ZINC001157119545 798147003 /nfs/dbraw/zinc/14/70/03/798147003.db2.gz LXEABHKTKUNQFZ-UHFFFAOYSA-N 1 1 318.333 2.380 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@@H]21 ZINC001157270188 798174319 /nfs/dbraw/zinc/17/43/19/798174319.db2.gz DFFNBQBKTWXVER-GWCFXTLKSA-N 1 1 301.350 2.002 20 5 DEBDMO CCN(c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1)C1C[NH+](C)C1 ZINC001157456520 798209079 /nfs/dbraw/zinc/20/90/79/798209079.db2.gz PTGRMMPQWZVMGY-UHFFFAOYSA-N 1 1 313.361 2.192 20 5 DEBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001198157639 798290061 /nfs/dbraw/zinc/29/00/61/798290061.db2.gz RTYJAPHOPPCJLH-GFCCVEGCSA-N 1 1 309.341 2.034 20 5 DEBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@@H+]3CC[C@@H]3C2)nc1Cl ZINC001158424562 798405710 /nfs/dbraw/zinc/40/57/10/798405710.db2.gz WBUPKPQPBHHMSE-MRVPVSSYSA-N 1 1 318.711 2.082 20 5 DEBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@H+]3CC[C@@H]3C2)nc1Cl ZINC001158424562 798405713 /nfs/dbraw/zinc/40/57/13/798405713.db2.gz WBUPKPQPBHHMSE-MRVPVSSYSA-N 1 1 318.711 2.082 20 5 DEBDMO CC[N@H+]1CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C(C)(C)C1 ZINC001158561446 798429064 /nfs/dbraw/zinc/42/90/64/798429064.db2.gz FCROHGRYRAJQHP-UHFFFAOYSA-N 1 1 303.366 2.392 20 5 DEBDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001160466693 798692929 /nfs/dbraw/zinc/69/29/29/798692929.db2.gz UWLVFBYYQGZQBS-OWUUHHOZSA-N 1 1 311.773 2.465 20 5 DEBDMO C[N@@H+]1CCO[C@H](CNc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001162687694 799147584 /nfs/dbraw/zinc/14/75/84/799147584.db2.gz DPHOKFWRJRFHQJ-GFCCVEGCSA-N 1 1 319.283 2.356 20 5 DEBDMO C[N@H+]1CCO[C@H](CNc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001162687694 799147587 /nfs/dbraw/zinc/14/75/87/799147587.db2.gz DPHOKFWRJRFHQJ-GFCCVEGCSA-N 1 1 319.283 2.356 20 5 DEBDMO Cc1ccnc(NCC[C@@H]2CC[NH2+]CC2(F)F)c1[N+](=O)[O-] ZINC001162811307 799182226 /nfs/dbraw/zinc/18/22/26/799182226.db2.gz VZWDIJJIDXWHTM-JTQLQIEISA-N 1 1 300.309 2.345 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935444143 800663669 /nfs/dbraw/zinc/66/36/69/800663669.db2.gz WCIJOLVKKRWQCX-CVEARBPZSA-N 1 1 317.389 2.251 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(/C=C/[N+](=O)[O-])cc3)[C@H]1CC(=O)C2 ZINC001229118615 801226373 /nfs/dbraw/zinc/22/63/73/801226373.db2.gz HERUARJLLZHXCV-NGDKMBOBSA-N 1 1 302.330 2.117 20 5 DEBDMO CC[N@H+]1CC[C@H](Oc2cc(Br)cnc2[N+](=O)[O-])C1 ZINC001229563355 801292613 /nfs/dbraw/zinc/29/26/13/801292613.db2.gz OTHUDVDZCVHOBY-VIFPVBQESA-N 1 1 316.155 2.225 20 5 DEBDMO COc1ccc2[nH+]c(N)n(-c3ccc(O)c([N+](=O)[O-])c3)c2c1 ZINC001210393254 801390164 /nfs/dbraw/zinc/39/01/64/801390164.db2.gz WNZBAGRLSBZLBS-UHFFFAOYSA-N 1 1 300.274 2.230 20 5 DEBDMO C[N@@H+](CCCNC(=O)CC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC001231139325 801590203 /nfs/dbraw/zinc/59/02/03/801590203.db2.gz QYIIWOYCBRADNT-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CC2(F)F)ccc1Br ZINC001218230649 802157306 /nfs/dbraw/zinc/15/73/06/802157306.db2.gz CDKMTMXFFNICII-VIFPVBQESA-N 1 1 323.093 2.343 20 5 DEBDMO C[N@@H+](CCCNC(=O)c1ccc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001233874673 802231315 /nfs/dbraw/zinc/23/13/15/802231315.db2.gz VZILZWNFFUBANP-UHFFFAOYSA-N 1 1 316.361 2.175 20 5 DEBDMO COC(=O)[C@@H](O[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001223643891 802805251 /nfs/dbraw/zinc/80/52/51/802805251.db2.gz QLQHFGJBCZSNCW-WFASDCNBSA-N 1 1 322.361 2.308 20 5 DEBDMO C[N@H+]1CCC[C@H]1CO[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001224831458 802908618 /nfs/dbraw/zinc/90/86/18/802908618.db2.gz SHGNXGMVMHOXHF-KBPBESRZSA-N 1 1 305.378 2.284 20 5 DEBDMO O=[N+]([O-])c1ccc(O)cc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001225490164 802974151 /nfs/dbraw/zinc/97/41/51/802974151.db2.gz GGYSEDJIOQVNNI-MQMHXKEQSA-N 1 1 322.361 2.323 20 5 DEBDMO C[N@H+]1CC[C@@H](Oc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001225504200 802974684 /nfs/dbraw/zinc/97/46/84/802974684.db2.gz NNKGYBNTWHEAFQ-SECBINFHSA-N 1 1 301.140 2.440 20 5 DEBDMO CC[N@H+]1CCC[C@@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226436582 803107138 /nfs/dbraw/zinc/10/71/38/803107138.db2.gz NMVDVHVFEJLQBM-GFCCVEGCSA-N 1 1 302.334 2.401 20 5 DEBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227110979 803203242 /nfs/dbraw/zinc/20/32/42/803203242.db2.gz HDJOCCCZONBCPE-DDFAGTSDSA-N 1 1 322.321 2.007 20 5 DEBDMO Cc1nc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001330690895 1149257496 /nfs/dbraw/zinc/25/74/96/1149257496.db2.gz YMMPJCJDPGWHQJ-AWEZNQCLSA-N 1 1 313.361 2.380 20 5 DEBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[NH+]1CCC(F)CC1 ZINC001331022716 1149361863 /nfs/dbraw/zinc/36/18/63/1149361863.db2.gz UGNPRDKXIJTWEN-HNNXBMFYSA-N 1 1 321.352 2.302 20 5 DEBDMO Cc1cc(NC(=O)NCC2=CC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC001345488470 1150892430 /nfs/dbraw/zinc/89/24/30/1150892430.db2.gz JUGNQIYCJNGEQT-UHFFFAOYSA-N 1 1 304.350 2.287 20 5 DEBDMO CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001450774336 1056496606 /nfs/dbraw/zinc/49/66/06/1056496606.db2.gz YTLFVYXDMRDBPB-LLVKDONJSA-N 1 1 306.366 2.238 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001457879673 1058037234 /nfs/dbraw/zinc/03/72/34/1058037234.db2.gz RLVHDBPBMNVYOO-LBPRGKRZSA-N 1 1 303.362 2.212 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001457879673 1058037238 /nfs/dbraw/zinc/03/72/38/1058037238.db2.gz RLVHDBPBMNVYOO-LBPRGKRZSA-N 1 1 303.362 2.212 20 5 DEBDMO CC1(C)CCC[N@H+]1CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001467028919 1059569689 /nfs/dbraw/zinc/56/96/89/1059569689.db2.gz JWQQUMLCZVMHIE-UHFFFAOYSA-N 1 1 321.381 2.173 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2(c3ncccn3)CCC2)cc1 ZINC001473753028 1060720160 /nfs/dbraw/zinc/72/01/60/1060720160.db2.gz XZOYKASNPSJHLI-AWEZNQCLSA-N 1 1 314.345 2.087 20 5 DEBDMO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001617953839 1078149580 /nfs/dbraw/zinc/14/95/80/1078149580.db2.gz ACIBVDJORIKGLC-HZMBPMFUSA-N 1 1 303.318 2.205 20 5 DEBDMO C[C@H]1[C@@H](O)CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001617953839 1078149582 /nfs/dbraw/zinc/14/95/82/1078149582.db2.gz ACIBVDJORIKGLC-HZMBPMFUSA-N 1 1 303.318 2.205 20 5 DEBDMO C[C@]([NH3+])(C(=O)N1CCCC2(CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001576080104 1066490338 /nfs/dbraw/zinc/49/03/38/1066490338.db2.gz CAXCETRPHGSBIT-OAHLLOKOSA-N 1 1 303.362 2.171 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001633278680 1078402009 /nfs/dbraw/zinc/40/20/09/1078402009.db2.gz MMXMWUIREKFKKG-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO CCN(CC1CCC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577704185 1066910390 /nfs/dbraw/zinc/91/03/90/1066910390.db2.gz GAFICLMDFANUGB-MRXNPFEDSA-N 1 1 305.378 2.417 20 5 DEBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC001640449751 1078661390 /nfs/dbraw/zinc/66/13/90/1078661390.db2.gz QFFMIRDZGYINLM-NSHDSACASA-N 1 1 323.422 2.471 20 5 DEBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCC2(CC2)CC1 ZINC001267241465 1078691407 /nfs/dbraw/zinc/69/14/07/1078691407.db2.gz YMCSJWMTVQNBJC-HUUCEWRRSA-N 1 1 323.437 2.060 20 5 DEBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCC2(CC2)CC1 ZINC001267241465 1078691411 /nfs/dbraw/zinc/69/14/11/1078691411.db2.gz YMCSJWMTVQNBJC-HUUCEWRRSA-N 1 1 323.437 2.060 20 5 DEBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCC2(CC2)CC1 ZINC001267241465 1078691415 /nfs/dbraw/zinc/69/14/15/1078691415.db2.gz YMCSJWMTVQNBJC-HUUCEWRRSA-N 1 1 323.437 2.060 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001645119103 1078878905 /nfs/dbraw/zinc/87/89/05/1078878905.db2.gz LNBIKHFGEYCJOM-UHFFFAOYSA-N 1 1 320.324 2.231 20 5 DEBDMO CC[N@H+](CCNC(=O)C1CC=CC1)Cc1ccccc1[N+](=O)[O-] ZINC001480966700 1079009034 /nfs/dbraw/zinc/00/90/34/1079009034.db2.gz QLXQGGNSEGTFHA-UHFFFAOYSA-N 1 1 317.389 2.499 20 5 DEBDMO CC[N@@H+](CCNC(=O)C1CC=CC1)Cc1ccccc1[N+](=O)[O-] ZINC001480966700 1079009040 /nfs/dbraw/zinc/00/90/40/1079009040.db2.gz QLXQGGNSEGTFHA-UHFFFAOYSA-N 1 1 317.389 2.499 20 5 DEBDMO CC/C=C(\C)C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001267676680 1079365823 /nfs/dbraw/zinc/36/58/23/1079365823.db2.gz OLFFCLCYFCOIAB-AWNIVKPZSA-N 1 1 317.389 2.499 20 5 DEBDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590227769 1076592566 /nfs/dbraw/zinc/59/25/66/1076592566.db2.gz RHASLODNYKZMIJ-QWRGUYRKSA-N 1 1 316.365 2.395 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001595333411 1077060837 /nfs/dbraw/zinc/06/08/37/1077060837.db2.gz ATPSABYNLYOIJZ-YGRLFVJLSA-N 1 1 321.352 2.255 20 5 DEBDMO Nc1[nH+]ccc2c1CN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC001652318436 1079868097 /nfs/dbraw/zinc/86/80/97/1079868097.db2.gz TXTGEISKESJACK-UHFFFAOYSA-N 1 1 305.725 2.183 20 5 DEBDMO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1n[nH]c(=O)n1C ZINC001652756063 1079896990 /nfs/dbraw/zinc/89/69/90/1079896990.db2.gz HCWMGNJIQSSDBR-WDEREUQCSA-N 1 1 319.365 2.101 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC001654030221 1079947811 /nfs/dbraw/zinc/94/78/11/1079947811.db2.gz HXXJZKIYRIPCJP-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCn4nccc43)nc2c1 ZINC001655421868 1079997751 /nfs/dbraw/zinc/99/77/51/1079997751.db2.gz PNLHZNMJUXWYPX-LBPRGKRZSA-N 1 1 312.333 2.292 20 5 DEBDMO CC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001658034443 1080193619 /nfs/dbraw/zinc/19/36/19/1080193619.db2.gz DFCUCKMQVFUYHS-CYBMUJFWSA-N 1 1 319.321 2.477 20 5 DEBDMO CCC(=O)NCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001660634852 1080370903 /nfs/dbraw/zinc/37/09/03/1080370903.db2.gz DGIOTORPJMIBBG-UHFFFAOYSA-N 1 1 305.378 2.476 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@@H](C(C)(C)C)CC1 ZINC001660688717 1080378814 /nfs/dbraw/zinc/37/88/14/1080378814.db2.gz YPPKGCMHBHGWHY-CYBMUJFWSA-N 1 1 310.398 2.237 20 5 DEBDMO COc1ccc(C[NH2+]Cc2cc(C(N)=O)cs2)cc1[N+](=O)[O-] ZINC001661340586 1080471951 /nfs/dbraw/zinc/47/19/51/1080471951.db2.gz WIWJRAXGZZCXLQ-UHFFFAOYSA-N 1 1 321.358 2.054 20 5 DEBDMO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cccc2nc3ccccc3nc21 ZINC001269505133 1081269422 /nfs/dbraw/zinc/26/94/22/1081269422.db2.gz XMOOKWRGXXCJJA-BETUJISGSA-N 1 1 318.380 2.312 20 5 DEBDMO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cccc2nc3ccccc3nc21 ZINC001269505133 1081269427 /nfs/dbraw/zinc/26/94/27/1081269427.db2.gz XMOOKWRGXXCJJA-BETUJISGSA-N 1 1 318.380 2.312 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC001670457738 1082139077 /nfs/dbraw/zinc/13/90/77/1082139077.db2.gz CYBMPFRQIQDSSI-NSHDSACASA-N 1 1 322.365 2.161 20 5 DEBDMO C/C=C(/C)C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001490176697 1093233814 /nfs/dbraw/zinc/23/38/14/1093233814.db2.gz UPVDBQJHWYMWBN-PQMHYQBVSA-N 1 1 305.378 2.499 20 5 DEBDMO C[C@H](OCCCN1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001206590382 1138323764 /nfs/dbraw/zinc/32/37/64/1138323764.db2.gz KXIIFESCHOATRA-AWEZNQCLSA-N 1 1 307.394 2.310 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC001293542283 1138988924 /nfs/dbraw/zinc/98/89/24/1138988924.db2.gz REOPMOBMZCVTND-CQSZACIVSA-N 1 1 305.378 2.331 20 5 DEBDMO COc1ccc(C[C@H](C)N2CCC[C@@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246539211 1140943872 /nfs/dbraw/zinc/94/38/72/1140943872.db2.gz FNAVYSMCBKIJEG-GXTWGEPZSA-N 1 1 307.394 2.348 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246642117 1141020927 /nfs/dbraw/zinc/02/09/27/1141020927.db2.gz ZGYWTJBGKJXPQI-DJIMGWMZSA-N 1 1 301.390 2.278 20 5 DEBDMO C[C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)N1 ZINC001246962807 1141187737 /nfs/dbraw/zinc/18/77/37/1141187737.db2.gz FMKHCTCJDKNPOS-OKILXGFUSA-N 1 1 318.421 2.246 20 5 DEBDMO C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)N1 ZINC001246962807 1141187797 /nfs/dbraw/zinc/18/77/97/1141187797.db2.gz FMKHCTCJDKNPOS-OKILXGFUSA-N 1 1 318.421 2.246 20 5 DEBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)no1 ZINC001248212764 1141731150 /nfs/dbraw/zinc/73/11/50/1141731150.db2.gz ZQPNCGYUVPXNEG-ZDUSSCGKSA-N 1 1 311.301 2.282 20 5 DEBDMO C[N@@H+](CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001336754717 1142561965 /nfs/dbraw/zinc/56/19/65/1142561965.db2.gz DPXCBJBIWUDXJA-QGZVFWFLSA-N 1 1 321.421 2.482 20 5 DEBDMO CN(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001336754717 1142561983 /nfs/dbraw/zinc/56/19/83/1142561983.db2.gz DPXCBJBIWUDXJA-QGZVFWFLSA-N 1 1 321.421 2.482 20 5 DEBDMO CC(C)C[C@@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001338447464 1142856427 /nfs/dbraw/zinc/85/64/27/1142856427.db2.gz BMLLQKCGHASKIG-JKSUJKDBSA-N 1 1 309.410 2.194 20 5 DEBDMO CC(C)C[C@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001338447461 1142856511 /nfs/dbraw/zinc/85/65/11/1142856511.db2.gz BMLLQKCGHASKIG-HZPDHXFCSA-N 1 1 309.410 2.194 20 5 DEBDMO CN(C)CC[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475707 1143132730 /nfs/dbraw/zinc/13/27/30/1143132730.db2.gz HUVFWMVYFLBSJQ-UHFFFAOYSA-N 1 1 306.410 2.057 20 5 DEBDMO CN(CC[NH+](C)C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475707 1143132744 /nfs/dbraw/zinc/13/27/44/1143132744.db2.gz HUVFWMVYFLBSJQ-UHFFFAOYSA-N 1 1 306.410 2.057 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCC[C@@H](CO)C3)CC2)cc1 ZINC001254476655 1143133414 /nfs/dbraw/zinc/13/34/14/1143133414.db2.gz VLKKFXOJGWWNHT-CQSZACIVSA-N 1 1 319.405 2.268 20 5 DEBDMO O=C1OCC[C@@]12CCN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC001339939434 1143190261 /nfs/dbraw/zinc/19/02/61/1143190261.db2.gz WDZJSNNDGCJIOI-MRXNPFEDSA-N 1 1 313.313 2.286 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001254558239 1143248532 /nfs/dbraw/zinc/24/85/32/1143248532.db2.gz DWZHJMAAZLZYCR-UKRRQHHQSA-N 1 1 315.377 2.454 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC001254603827 1143275966 /nfs/dbraw/zinc/27/59/66/1143275966.db2.gz RBBJLKCADBLDGN-RRQGHBQHSA-N 1 1 301.390 2.088 20 5 DEBDMO CN1C[C@@H]2CCC[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC001254603827 1143275997 /nfs/dbraw/zinc/27/59/97/1143275997.db2.gz RBBJLKCADBLDGN-RRQGHBQHSA-N 1 1 301.390 2.088 20 5 DEBDMO CN1C[C@@H]2CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC001254603827 1143276008 /nfs/dbraw/zinc/27/60/08/1143276008.db2.gz RBBJLKCADBLDGN-RRQGHBQHSA-N 1 1 301.390 2.088 20 5 DEBDMO Cc1nn(C[N@H+]2CCC[C@@H](O)[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC001353215679 1151817515 /nfs/dbraw/zinc/81/75/15/1151817515.db2.gz JKUQRZOKCFWRBB-IAQYHMDHSA-N 1 1 304.350 2.056 20 5 DEBDMO Cc1nn(C[N@@H+]2CCC[C@@H](O)[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC001353215679 1151817518 /nfs/dbraw/zinc/81/75/18/1151817518.db2.gz JKUQRZOKCFWRBB-IAQYHMDHSA-N 1 1 304.350 2.056 20 5 DEBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+]1C1CCCC1 ZINC001263933533 1144425911 /nfs/dbraw/zinc/42/59/11/1144425911.db2.gz BSNSGDDAIYHYMN-LBPRGKRZSA-N 1 1 318.377 2.079 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@H](Nc3ccncc3[N+](=O)[O-])C2)cc1 ZINC001307192628 1147404055 /nfs/dbraw/zinc/40/40/55/1147404055.db2.gz ZUOMAWDWQVKHLA-HNNXBMFYSA-N 1 1 312.373 2.407 20 5 DEBDMO C[C@H]1Cc2n[nH]cc2C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001308073453 1147444221 /nfs/dbraw/zinc/44/42/21/1147444221.db2.gz GXSDOTHHAZRPRG-LBPRGKRZSA-N 1 1 316.361 2.391 20 5 DEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000278753865 214376322 /nfs/dbraw/zinc/37/63/22/214376322.db2.gz VCLACHTWBWMFKY-AWEZNQCLSA-N 1 1 319.405 2.280 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000090008111 185276661 /nfs/dbraw/zinc/27/66/61/185276661.db2.gz FDRUIAWHHXBTOC-INIZCTEOSA-N 1 1 306.362 2.475 20 5 DEBDMO Cc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090512200 185299713 /nfs/dbraw/zinc/29/97/13/185299713.db2.gz OALRYYSCKBTAFA-UHFFFAOYSA-N 1 1 301.346 2.197 20 5 DEBDMO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000181566184 199318876 /nfs/dbraw/zinc/31/88/76/199318876.db2.gz GZISPTBKXZSJGN-UHFFFAOYSA-N 1 1 300.380 2.099 20 5 DEBDMO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000181566184 199318878 /nfs/dbraw/zinc/31/88/78/199318878.db2.gz GZISPTBKXZSJGN-UHFFFAOYSA-N 1 1 300.380 2.099 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000296817064 529797113 /nfs/dbraw/zinc/79/71/13/529797113.db2.gz QPFLXTZSPJLVTE-QMTHXVAHSA-N 1 1 323.780 2.414 20 5 DEBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000181642756 199331760 /nfs/dbraw/zinc/33/17/60/199331760.db2.gz HYTAMDMMASJSCF-CQSZACIVSA-N 1 1 308.378 2.457 20 5 DEBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000302152868 529918389 /nfs/dbraw/zinc/91/83/89/529918389.db2.gz LFJMQVSEPYDTLO-UHFFFAOYSA-N 1 1 305.313 2.068 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614923864 362492232 /nfs/dbraw/zinc/49/22/32/362492232.db2.gz WOGUNYUGLWJZFP-AWEZNQCLSA-N 1 1 321.421 2.353 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000614923864 362492237 /nfs/dbraw/zinc/49/22/37/362492237.db2.gz WOGUNYUGLWJZFP-AWEZNQCLSA-N 1 1 321.421 2.353 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000614923864 362492239 /nfs/dbraw/zinc/49/22/39/362492239.db2.gz WOGUNYUGLWJZFP-AWEZNQCLSA-N 1 1 321.421 2.353 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000413446768 530061206 /nfs/dbraw/zinc/06/12/06/530061206.db2.gz VCDNSFOMONQBQB-SNVBAGLBSA-N 1 1 309.395 2.448 20 5 DEBDMO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000279807669 215164637 /nfs/dbraw/zinc/16/46/37/215164637.db2.gz PPYNSWBZLYDWCK-XJKCOSOUSA-N 1 1 306.362 2.363 20 5 DEBDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000279807669 215164641 /nfs/dbraw/zinc/16/46/41/215164641.db2.gz PPYNSWBZLYDWCK-XJKCOSOUSA-N 1 1 306.362 2.363 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173317728 186176333 /nfs/dbraw/zinc/17/63/33/186176333.db2.gz AKJHAHOSLKUPHV-HNNXBMFYSA-N 1 1 319.405 2.374 20 5 DEBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494744 358464200 /nfs/dbraw/zinc/46/42/00/358464200.db2.gz ZZGXJIVDWONQFT-IUODEOHRSA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494744 358464201 /nfs/dbraw/zinc/46/42/01/358464201.db2.gz ZZGXJIVDWONQFT-IUODEOHRSA-N 1 1 323.368 2.029 20 5 DEBDMO CCCCC[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072635027 191205817 /nfs/dbraw/zinc/20/58/17/191205817.db2.gz SLQYYRAODQOWGO-UHFFFAOYSA-N 1 1 323.393 2.326 20 5 DEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000072875093 191246638 /nfs/dbraw/zinc/24/66/38/191246638.db2.gz YPMYXJJUGCXTBN-LLVKDONJSA-N 1 1 307.350 2.416 20 5 DEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000072875093 191246641 /nfs/dbraw/zinc/24/66/41/191246641.db2.gz YPMYXJJUGCXTBN-LLVKDONJSA-N 1 1 307.350 2.416 20 5 DEBDMO CCc1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000174120164 198293840 /nfs/dbraw/zinc/29/38/40/198293840.db2.gz XFCHDXXQUPTPKY-LBPRGKRZSA-N 1 1 317.389 2.371 20 5 DEBDMO CC[N@H+]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000595536705 358477021 /nfs/dbraw/zinc/47/70/21/358477021.db2.gz TWDYXYNNKFDMAH-CQSZACIVSA-N 1 1 307.394 2.390 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000174491365 198340388 /nfs/dbraw/zinc/34/03/88/198340388.db2.gz LGSCVLKZTZWMOB-LBPRGKRZSA-N 1 1 321.377 2.017 20 5 DEBDMO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174857145 198394421 /nfs/dbraw/zinc/39/44/21/198394421.db2.gz PMEODIYWTGXFTN-SNVBAGLBSA-N 1 1 311.769 2.206 20 5 DEBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174857145 198394422 /nfs/dbraw/zinc/39/44/22/198394422.db2.gz PMEODIYWTGXFTN-SNVBAGLBSA-N 1 1 311.769 2.206 20 5 DEBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCOC1 ZINC000618275936 363443087 /nfs/dbraw/zinc/44/30/87/363443087.db2.gz RZZFBALSUVNTCJ-NSHDSACASA-N 1 1 304.350 2.330 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072831021 354923601 /nfs/dbraw/zinc/92/36/01/354923601.db2.gz YSPHWMABEWQLIO-BLLLJJGKSA-N 1 1 303.362 2.258 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000269093387 283094553 /nfs/dbraw/zinc/09/45/53/283094553.db2.gz MBRYJTIWZBCQGC-WCQYABFASA-N 1 1 320.349 2.424 20 5 DEBDMO COC1CC[NH+](CCNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000080250684 355354722 /nfs/dbraw/zinc/35/47/22/355354722.db2.gz CBVWELYTBYZABL-UHFFFAOYSA-N 1 1 321.377 2.320 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000081360901 355421327 /nfs/dbraw/zinc/42/13/27/355421327.db2.gz DEZHXQIKKILZAO-HNNXBMFYSA-N 1 1 319.405 2.328 20 5 DEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC3(CCCCC3)C2)c1 ZINC000075739064 191512796 /nfs/dbraw/zinc/51/27/96/191512796.db2.gz YPEIHESSUATQTG-HNNXBMFYSA-N 1 1 322.409 2.199 20 5 DEBDMO Cc1cc(C)n(CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000088607138 355517352 /nfs/dbraw/zinc/51/73/52/355517352.db2.gz PSJAZSGWBCYYDF-UHFFFAOYSA-N 1 1 300.362 2.466 20 5 DEBDMO Cc1cc(C)n(CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000088607138 355517357 /nfs/dbraw/zinc/51/73/57/355517357.db2.gz PSJAZSGWBCYYDF-UHFFFAOYSA-N 1 1 300.362 2.466 20 5 DEBDMO Cc1[nH+]ccn1-c1cncc(NCc2ccccc2[N+](=O)[O-])n1 ZINC000092891132 355655123 /nfs/dbraw/zinc/65/51/23/355655123.db2.gz ACKYDOBGSCKMHH-UHFFFAOYSA-N 1 1 310.317 2.491 20 5 DEBDMO Cc1cc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000141294607 355889594 /nfs/dbraw/zinc/88/95/94/355889594.db2.gz UJXNBOIQUAHLDI-AWEZNQCLSA-N 1 1 303.362 2.214 20 5 DEBDMO Cc1cc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000141294424 355890117 /nfs/dbraw/zinc/89/01/17/355890117.db2.gz UJXNBOIQUAHLDI-CQSZACIVSA-N 1 1 303.362 2.214 20 5 DEBDMO Cc1cc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000141936664 355892375 /nfs/dbraw/zinc/89/23/75/355892375.db2.gz YSHCEGZFUONNLI-CQSZACIVSA-N 1 1 303.362 2.214 20 5 DEBDMO Cc1ccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000142404569 355895074 /nfs/dbraw/zinc/89/50/74/355895074.db2.gz WFANETGIZVODOR-CQSZACIVSA-N 1 1 303.362 2.214 20 5 DEBDMO COC(=O)[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000280866233 356365407 /nfs/dbraw/zinc/36/54/07/356365407.db2.gz ZDDSEYQLNIDFIB-IUODEOHRSA-N 1 1 322.361 2.105 20 5 DEBDMO CC[N@@H+](CCNc1ncnc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000319182054 356439756 /nfs/dbraw/zinc/43/97/56/356439756.db2.gz WILSUTYOYMMPJN-UHFFFAOYSA-N 1 1 301.350 2.434 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081364320 192257331 /nfs/dbraw/zinc/25/73/31/192257331.db2.gz SSEPMZKJYAMLTP-OAHLLOKOSA-N 1 1 319.405 2.328 20 5 DEBDMO CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000589496764 357475870 /nfs/dbraw/zinc/47/58/70/357475870.db2.gz OFKCRLJBRDMJCS-CQSZACIVSA-N 1 1 322.361 2.382 20 5 DEBDMO CC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000589496764 357475874 /nfs/dbraw/zinc/47/58/74/357475874.db2.gz OFKCRLJBRDMJCS-CQSZACIVSA-N 1 1 322.361 2.382 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000590141927 357521287 /nfs/dbraw/zinc/52/12/87/357521287.db2.gz NJNAOXSYXZPROW-HNNXBMFYSA-N 1 1 307.398 2.042 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000593187014 358029102 /nfs/dbraw/zinc/02/91/02/358029102.db2.gz CRFDYZQXHSQCLP-GRYCIOLGSA-N 1 1 321.377 2.157 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593495853 358090522 /nfs/dbraw/zinc/09/05/22/358090522.db2.gz SIDBRCSJADRKMU-GFCCVEGCSA-N 1 1 323.368 2.077 20 5 DEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594203883 358223637 /nfs/dbraw/zinc/22/36/37/358223637.db2.gz VGISQHJLZOYPMH-LSDHHAIUSA-N 1 1 303.362 2.342 20 5 DEBDMO COc1ccc(C[NH2+][C@H]2CCCn3ccnc32)cc1[N+](=O)[O-] ZINC000594493024 358282471 /nfs/dbraw/zinc/28/24/71/358282471.db2.gz DFMIZZXEXROQNV-LBPRGKRZSA-N 1 1 302.334 2.425 20 5 DEBDMO Cc1noc(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595437702 358448255 /nfs/dbraw/zinc/44/82/55/358448255.db2.gz IDFULVARRSQOGL-GXFFZTMASA-N 1 1 305.334 2.145 20 5 DEBDMO CC(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595290060 358413422 /nfs/dbraw/zinc/41/34/22/358413422.db2.gz JGIGAXZEXMGOKJ-UHFFFAOYSA-N 1 1 323.368 2.471 20 5 DEBDMO Cc1noc(C[N@H+]2CCc3ccc(O)cc3CC2)c1[N+](=O)[O-] ZINC000595371973 358434177 /nfs/dbraw/zinc/43/41/77/358434177.db2.gz WZXZSDGYBNALSL-UHFFFAOYSA-N 1 1 303.318 2.198 20 5 DEBDMO Cc1noc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595398477 358439278 /nfs/dbraw/zinc/43/92/78/358439278.db2.gz QDXPEGFJSDVOKP-AWEZNQCLSA-N 1 1 316.361 2.380 20 5 DEBDMO Cc1noc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595398477 358439280 /nfs/dbraw/zinc/43/92/80/358439280.db2.gz QDXPEGFJSDVOKP-AWEZNQCLSA-N 1 1 316.361 2.380 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595877387 358570594 /nfs/dbraw/zinc/57/05/94/358570594.db2.gz SYGISCKXRWCWAS-LRDDRELGSA-N 1 1 308.378 2.444 20 5 DEBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000595907534 358577610 /nfs/dbraw/zinc/57/76/10/358577610.db2.gz AEDFWUWXDCESIC-OLZOCXBDSA-N 1 1 308.378 2.312 20 5 DEBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@H+]1CCCC[C@H]1C ZINC000596075213 358604861 /nfs/dbraw/zinc/60/48/61/358604861.db2.gz ZKJPOZJDFUJUFA-NEPJUHHUSA-N 1 1 320.393 2.369 20 5 DEBDMO CCOC(=O)c1cc(N[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596091118 358608698 /nfs/dbraw/zinc/60/86/98/358608698.db2.gz VKQVXYRAJDWUJD-GFCCVEGCSA-N 1 1 319.361 2.420 20 5 DEBDMO COc1cc(NC[C@H]2CCC[N@H+]2CCCO)c([N+](=O)[O-])cc1C ZINC000596259758 358654644 /nfs/dbraw/zinc/65/46/44/358654644.db2.gz WHIXJVPYMJHVSD-CYBMUJFWSA-N 1 1 323.393 2.171 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000597856584 359022940 /nfs/dbraw/zinc/02/29/40/359022940.db2.gz ZJGOWOWGMHZXEF-GFCCVEGCSA-N 1 1 305.378 2.445 20 5 DEBDMO COc1cc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597925548 359043846 /nfs/dbraw/zinc/04/38/46/359043846.db2.gz XDNOTOYUOOSCOE-LBPRGKRZSA-N 1 1 321.377 2.206 20 5 DEBDMO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccn1 ZINC000598585789 359250015 /nfs/dbraw/zinc/25/00/15/359250015.db2.gz ARCUTYFIDFQOLA-UHFFFAOYSA-N 1 1 313.361 2.015 20 5 DEBDMO CC1(C)CC[C@@H](CO)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000598649973 359275703 /nfs/dbraw/zinc/27/57/03/359275703.db2.gz VZOXWFHXFSJKEL-AWEZNQCLSA-N 1 1 308.378 2.457 20 5 DEBDMO O=C(Cn1cc[nH+]c1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000600611986 359783340 /nfs/dbraw/zinc/78/33/40/359783340.db2.gz XTVOCCRHRMRPRN-UHFFFAOYSA-N 1 1 312.329 2.258 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H](OCCO)C3)c2c1 ZINC000601116043 359927960 /nfs/dbraw/zinc/92/79/60/359927960.db2.gz GVISTSWBVYBFMR-CYBMUJFWSA-N 1 1 317.345 2.121 20 5 DEBDMO COCCOC[C@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601122336 359930878 /nfs/dbraw/zinc/93/08/78/359930878.db2.gz XRMVFQWFDQJPDY-NSHDSACASA-N 1 1 305.334 2.028 20 5 DEBDMO CC(=O)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000601131137 359934162 /nfs/dbraw/zinc/93/41/62/359934162.db2.gz UKKGMBZZEAJNPU-LLVKDONJSA-N 1 1 314.345 2.200 20 5 DEBDMO CCNC(=O)C(C)(C)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601132507 359934788 /nfs/dbraw/zinc/93/47/88/359934788.db2.gz IJNHMYXDIVECCZ-UHFFFAOYSA-N 1 1 316.361 2.139 20 5 DEBDMO Cc1cccc(C[N@@H+]2CC[C@@H](Nc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000601240446 359978460 /nfs/dbraw/zinc/97/84/60/359978460.db2.gz SXYVWWLLVMHKIJ-CQSZACIVSA-N 1 1 315.377 2.323 20 5 DEBDMO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000601249645 359980632 /nfs/dbraw/zinc/98/06/32/359980632.db2.gz DKZFFGPJJNUITR-CQSZACIVSA-N 1 1 315.377 2.323 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000601253279 359982378 /nfs/dbraw/zinc/98/23/78/359982378.db2.gz JHKJOOQBUDITPT-MNOVXSKESA-N 1 1 322.340 2.149 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000601299476 359999534 /nfs/dbraw/zinc/99/95/34/359999534.db2.gz LTRUFCUNVCXLMO-NXEZZACHSA-N 1 1 307.325 2.089 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602568763 360437228 /nfs/dbraw/zinc/43/72/28/360437228.db2.gz MASXPBCHZRFYLO-IINYFYTJSA-N 1 1 316.361 2.308 20 5 DEBDMO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602568763 360437230 /nfs/dbraw/zinc/43/72/30/360437230.db2.gz MASXPBCHZRFYLO-IINYFYTJSA-N 1 1 316.361 2.308 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602568764 360437454 /nfs/dbraw/zinc/43/74/54/360437454.db2.gz MASXPBCHZRFYLO-QMTHXVAHSA-N 1 1 316.361 2.308 20 5 DEBDMO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602568764 360437456 /nfs/dbraw/zinc/43/74/56/360437456.db2.gz MASXPBCHZRFYLO-QMTHXVAHSA-N 1 1 316.361 2.308 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(CNC[C@H]3CC[N@H+](C4CC4)C3)nc2c1 ZINC000602511780 360410953 /nfs/dbraw/zinc/41/09/53/360410953.db2.gz RPKHRONMYDOTPT-LLVKDONJSA-N 1 1 316.361 2.310 20 5 DEBDMO O=[N+]([O-])c1ccc(OC2C[NH+](CCC3CCOCC3)C2)cc1 ZINC000602688600 360499572 /nfs/dbraw/zinc/49/95/72/360499572.db2.gz LMZLPRUTPWYCPR-UHFFFAOYSA-N 1 1 306.362 2.475 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccn1)C(C)C ZINC000602765974 360542350 /nfs/dbraw/zinc/54/23/50/360542350.db2.gz NOESJVIELHLVCB-UHFFFAOYSA-N 1 1 303.366 2.405 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000602773639 360546576 /nfs/dbraw/zinc/54/65/76/360546576.db2.gz WCWNCDSSQKJYCQ-LBPRGKRZSA-N 1 1 310.398 2.115 20 5 DEBDMO O=[N+]([O-])c1ccc(Cn2cc(C[NH+]3CCCCC3)nn2)c(F)c1 ZINC000603223803 360754874 /nfs/dbraw/zinc/75/48/74/360754874.db2.gz JJHBFZZKBZVUCO-UHFFFAOYSA-N 1 1 319.340 2.360 20 5 DEBDMO CN(CCC[N@@H+](C)Cc1ccncc1)c1cccnc1[N+](=O)[O-] ZINC000603398894 360816459 /nfs/dbraw/zinc/81/64/59/360816459.db2.gz DBPWVYHUWFXGKL-UHFFFAOYSA-N 1 1 315.377 2.343 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000609570160 361321597 /nfs/dbraw/zinc/32/15/97/361321597.db2.gz ORQYNXPEXCTJIR-UHFFFAOYSA-N 1 1 308.382 2.098 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000610514525 361413518 /nfs/dbraw/zinc/41/35/18/361413518.db2.gz LKJRTHDVEOPDQB-CQSZACIVSA-N 1 1 305.378 2.204 20 5 DEBDMO COCC1([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611178924 361541706 /nfs/dbraw/zinc/54/17/06/361541706.db2.gz SYQHHTSLVNTLLI-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCc2sccc2C1 ZINC000611185104 361542830 /nfs/dbraw/zinc/54/28/30/361542830.db2.gz AKRPIGOHGBYTHS-UHFFFAOYSA-N 1 1 319.386 2.266 20 5 DEBDMO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C[N@H+]1C ZINC000611259331 361564674 /nfs/dbraw/zinc/56/46/74/361564674.db2.gz BCLIIWCHVRVGHF-MNOVXSKESA-N 1 1 304.350 2.260 20 5 DEBDMO CC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCCO1 ZINC000611264747 361565096 /nfs/dbraw/zinc/56/50/96/361565096.db2.gz HXUPGDKDNICKON-CYBMUJFWSA-N 1 1 322.361 2.367 20 5 DEBDMO CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCCO1 ZINC000611264747 361565103 /nfs/dbraw/zinc/56/51/03/361565103.db2.gz HXUPGDKDNICKON-CYBMUJFWSA-N 1 1 322.361 2.367 20 5 DEBDMO CC[N@@H+](C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611204897 361547974 /nfs/dbraw/zinc/54/79/74/361547974.db2.gz APFFQTUGJZXCFW-OLZOCXBDSA-N 1 1 321.377 2.280 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000619567016 363827349 /nfs/dbraw/zinc/82/73/49/363827349.db2.gz IKHVVDRAIYOYRD-CYBMUJFWSA-N 1 1 305.378 2.460 20 5 DEBDMO CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451522502 243067364 /nfs/dbraw/zinc/06/73/64/243067364.db2.gz BHMCLKBPTLEXOA-SWLSCSKDSA-N 1 1 321.377 2.280 20 5 DEBDMO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451522502 243067372 /nfs/dbraw/zinc/06/73/72/243067372.db2.gz BHMCLKBPTLEXOA-SWLSCSKDSA-N 1 1 321.377 2.280 20 5 DEBDMO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000451560738 243118067 /nfs/dbraw/zinc/11/80/67/243118067.db2.gz IGWXUUVVJRRCDE-DOMZBBRYSA-N 1 1 321.377 2.199 20 5 DEBDMO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000451560738 243118074 /nfs/dbraw/zinc/11/80/74/243118074.db2.gz IGWXUUVVJRRCDE-DOMZBBRYSA-N 1 1 321.377 2.199 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451734695 243384048 /nfs/dbraw/zinc/38/40/48/243384048.db2.gz CGNYJKMCPVIYKJ-LBPRGKRZSA-N 1 1 317.393 2.387 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000451734985 243384373 /nfs/dbraw/zinc/38/43/73/243384373.db2.gz XQIYRQJQQSBJFQ-CQSZACIVSA-N 1 1 307.394 2.390 20 5 DEBDMO C[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000452180053 244021835 /nfs/dbraw/zinc/02/18/35/244021835.db2.gz AZXLOHRWPHHZFM-RYUDHWBXSA-N 1 1 323.418 2.209 20 5 DEBDMO CCOC[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093838989 193315906 /nfs/dbraw/zinc/31/59/06/193315906.db2.gz NEZPCZZBIAVSHV-LBPRGKRZSA-N 1 1 324.377 2.470 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCN(OC)CC1 ZINC000453623736 245223856 /nfs/dbraw/zinc/22/38/56/245223856.db2.gz PJAOTPGWEAMDKC-UHFFFAOYSA-N 1 1 323.393 2.451 20 5 DEBDMO CCCCOC[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282461851 217013324 /nfs/dbraw/zinc/01/33/24/217013324.db2.gz MVYLIWWXKVQFGX-MRXNPFEDSA-N 1 1 310.394 2.247 20 5 DEBDMO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264999795 204333556 /nfs/dbraw/zinc/33/35/56/204333556.db2.gz DQSZPCLBGLDFGB-HUUCEWRRSA-N 1 1 321.377 2.159 20 5 DEBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264999795 204333558 /nfs/dbraw/zinc/33/35/58/204333558.db2.gz DQSZPCLBGLDFGB-HUUCEWRRSA-N 1 1 321.377 2.159 20 5 DEBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000282508972 217049672 /nfs/dbraw/zinc/04/96/72/217049672.db2.gz OPEMNDPOKUNCPZ-BDJLRTHQSA-N 1 1 322.361 2.234 20 5 DEBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454639642 246014353 /nfs/dbraw/zinc/01/43/53/246014353.db2.gz IXSLTOGMKUFPJX-MBNYWOFBSA-N 1 1 320.393 2.438 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000456374841 247137038 /nfs/dbraw/zinc/13/70/38/247137038.db2.gz JKCFNUBJQNVLSV-OAHLLOKOSA-N 1 1 319.405 2.388 20 5 DEBDMO COc1c(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000458223655 248214772 /nfs/dbraw/zinc/21/47/72/248214772.db2.gz RKTUSQMFRXDBFB-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C ZINC000492264111 249026772 /nfs/dbraw/zinc/02/67/72/249026772.db2.gz VGXRDEUPAHBMJP-RXFWDACYSA-N 1 1 303.362 2.159 20 5 DEBDMO C[C@@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000492542669 249085488 /nfs/dbraw/zinc/08/54/88/249085488.db2.gz ZCDSDJDPWUKTOY-FMFIFOJESA-N 1 1 315.373 2.375 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493407160 249292580 /nfs/dbraw/zinc/29/25/80/249292580.db2.gz YEXGNVVFUVJOLH-XPSMFNQNSA-N 1 1 305.378 2.453 20 5 DEBDMO C[N@H+]1CC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273927314 211182219 /nfs/dbraw/zinc/18/22/19/211182219.db2.gz GXGSHMWQBXSTIM-LLVKDONJSA-N 1 1 323.368 2.079 20 5 DEBDMO CCOc1cccc(N[C@H](C)C[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000273811499 211079100 /nfs/dbraw/zinc/07/91/00/211079100.db2.gz BAGWMOUXZZBNML-CYBMUJFWSA-N 1 1 322.409 2.041 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000063710485 184286982 /nfs/dbraw/zinc/28/69/82/184286982.db2.gz BXYWWRZWQZSTAG-HNNXBMFYSA-N 1 1 319.405 2.374 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000119850056 195049183 /nfs/dbraw/zinc/04/91/83/195049183.db2.gz UIGOTDIHGKNQPF-JQWIXIFHSA-N 1 1 304.350 2.342 20 5 DEBDMO CCOc1ccc(NC(=O)Cn2cc[nH+]c2CC)c([N+](=O)[O-])c1 ZINC000158638433 197289724 /nfs/dbraw/zinc/28/97/24/197289724.db2.gz ASQKWZCUWSRKFS-UHFFFAOYSA-N 1 1 318.333 2.391 20 5 DEBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C1=CC[N@@H+](C)CC1 ZINC000272932108 210317972 /nfs/dbraw/zinc/31/79/72/210317972.db2.gz LENNFUDFABWXMS-SNVBAGLBSA-N 1 1 307.325 2.114 20 5 DEBDMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000294659526 224149307 /nfs/dbraw/zinc/14/93/07/224149307.db2.gz HFSHRDNMQLFYEW-ONGXEEELSA-N 1 1 303.366 2.490 20 5 DEBDMO COCCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000189695849 533172360 /nfs/dbraw/zinc/17/23/60/533172360.db2.gz VZZROLJQPXSZIM-CYBMUJFWSA-N 1 1 314.769 2.486 20 5 DEBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000189695849 533172366 /nfs/dbraw/zinc/17/23/66/533172366.db2.gz VZZROLJQPXSZIM-CYBMUJFWSA-N 1 1 314.769 2.486 20 5 DEBDMO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(OC)n1 ZINC000289623956 221110569 /nfs/dbraw/zinc/11/05/69/221110569.db2.gz OZPRCPMYZUGEJB-UHFFFAOYSA-N 1 1 303.318 2.297 20 5 DEBDMO Cc1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000289786781 221226688 /nfs/dbraw/zinc/22/66/88/221226688.db2.gz RVTQXQCQZMJYCD-HOCLYGCPSA-N 1 1 319.405 2.198 20 5 DEBDMO CCn1cccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000562515815 291989454 /nfs/dbraw/zinc/98/94/54/291989454.db2.gz UAXNAYLWBSGQSJ-UHFFFAOYSA-N 1 1 315.377 2.133 20 5 DEBDMO CN(C(=O)C[N@H+]1CC2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000366625867 131001219 /nfs/dbraw/zinc/00/12/19/131001219.db2.gz AFIXGPLWCYPLNE-UHFFFAOYSA-N 1 1 303.362 2.432 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000562915637 292016330 /nfs/dbraw/zinc/01/63/30/292016330.db2.gz FQFBLHKIEZXJFP-GFCCVEGCSA-N 1 1 322.409 2.487 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000357412951 133076320 /nfs/dbraw/zinc/07/63/20/133076320.db2.gz KXTZSFIVPGMNNJ-GXTWGEPZSA-N 1 1 319.405 2.471 20 5 DEBDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000362596022 133240384 /nfs/dbraw/zinc/24/03/84/133240384.db2.gz JCZCFGOAPPLRFC-LBPRGKRZSA-N 1 1 323.393 2.209 20 5 DEBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000362596022 133240385 /nfs/dbraw/zinc/24/03/85/133240385.db2.gz JCZCFGOAPPLRFC-LBPRGKRZSA-N 1 1 323.393 2.209 20 5 DEBDMO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCO1 ZINC000377255710 133324158 /nfs/dbraw/zinc/32/41/58/133324158.db2.gz ITVVDGJWMQYTSN-UHFFFAOYSA-N 1 1 322.361 2.462 20 5 DEBDMO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCO1 ZINC000377255710 133324159 /nfs/dbraw/zinc/32/41/59/133324159.db2.gz ITVVDGJWMQYTSN-UHFFFAOYSA-N 1 1 322.361 2.462 20 5 DEBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000377401927 133329021 /nfs/dbraw/zinc/32/90/21/133329021.db2.gz PZTPZMWEFPTJFF-AVVLXZEZSA-N 1 1 318.373 2.329 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000377594501 133336480 /nfs/dbraw/zinc/33/64/80/133336480.db2.gz FAXTZTJQSFJLNO-BQYQJAHWSA-N 1 1 303.362 2.162 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)CC[C@H]21 ZINC000372066124 404484256 /nfs/dbraw/zinc/48/42/56/404484256.db2.gz LFWFNMDOZVQACA-WDEREUQCSA-N 1 1 317.349 2.052 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246803237 145115411 /nfs/dbraw/zinc/11/54/11/145115411.db2.gz JDWSBQSJOJZBKB-HIFRSBDPSA-N 1 1 324.402 2.180 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247279769 145131662 /nfs/dbraw/zinc/13/16/62/145131662.db2.gz SRRPFLHCQMLBAA-HIFRSBDPSA-N 1 1 324.402 2.310 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247279769 145131663 /nfs/dbraw/zinc/13/16/63/145131663.db2.gz SRRPFLHCQMLBAA-HIFRSBDPSA-N 1 1 324.402 2.310 20 5 DEBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248435389 145154594 /nfs/dbraw/zinc/15/45/94/145154594.db2.gz ACDPJAPNCJYDPU-RDBSUJKOSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000249820499 145190533 /nfs/dbraw/zinc/19/05/33/145190533.db2.gz FSPJRJKMILSQKG-DZGCQCFKSA-N 1 1 308.378 2.457 20 5 DEBDMO NC(=O)C[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255293830 145204029 /nfs/dbraw/zinc/20/40/29/145204029.db2.gz 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CCC[N@H+]1CCC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000349119457 146352692 /nfs/dbraw/zinc/35/26/92/146352692.db2.gz PWYUWABTKGVWOA-OAHLLOKOSA-N 1 1 305.378 2.128 20 5 DEBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+]1CCCC[C@H]1C ZINC000344988438 404486530 /nfs/dbraw/zinc/48/65/30/404486530.db2.gz NKXWBFCGXHHQOY-NEPJUHHUSA-N 1 1 320.393 2.170 20 5 DEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357278480 147078227 /nfs/dbraw/zinc/07/82/27/147078227.db2.gz NSKCAAZHBQTCQU-UHFFFAOYSA-N 1 1 320.324 2.449 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000111635887 401719081 /nfs/dbraw/zinc/71/90/81/401719081.db2.gz DUMBKBHKWFOJTL-LBPRGKRZSA-N 1 1 320.393 2.090 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000075540959 401762362 /nfs/dbraw/zinc/76/23/62/401762362.db2.gz RCHFXJZNMHWAAP-LBPRGKRZSA-N 1 1 306.366 2.400 20 5 DEBDMO Cc1cc(N(C)CC(C)(C)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000130173011 401821151 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303.318 2.205 20 5 DEBDMO C[C@H]1Cc2[nH+]cn(CCn3cc([N+](=O)[O-])ccc3=O)c2C[C@@H]1C ZINC000295045756 403740888 /nfs/dbraw/zinc/74/08/88/403740888.db2.gz ARFSCUWRAMEZJE-RYUDHWBXSA-N 1 1 316.361 2.024 20 5 DEBDMO CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304981574 403806780 /nfs/dbraw/zinc/80/67/80/403806780.db2.gz GBPIJKDNTJPKMR-DZGCQCFKSA-N 1 1 310.398 2.053 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000341195828 403820829 /nfs/dbraw/zinc/82/08/29/403820829.db2.gz IJLVEKQLFNFPCF-TZMCWYRMSA-N 1 1 320.393 2.219 20 5 DEBDMO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000361724485 403825569 /nfs/dbraw/zinc/82/55/69/403825569.db2.gz AQBJVTBNIBMTGC-LLVKDONJSA-N 1 1 304.350 2.097 20 5 DEBDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000361724485 403825571 /nfs/dbraw/zinc/82/55/71/403825571.db2.gz AQBJVTBNIBMTGC-LLVKDONJSA-N 1 1 304.350 2.097 20 5 DEBDMO CC(=O)c1ccc(NCCC[N@@H+](C)CCN(C)C)c([N+](=O)[O-])c1 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DELJVIQZXZSKQJ-CYBMUJFWSA-N 1 1 317.389 2.080 20 5 DEBDMO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000362586299 403967416 /nfs/dbraw/zinc/96/74/16/403967416.db2.gz ASRPJFPPABBNPF-GFCCVEGCSA-N 1 1 323.393 2.209 20 5 DEBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000362586299 403967424 /nfs/dbraw/zinc/96/74/24/403967424.db2.gz ASRPJFPPABBNPF-GFCCVEGCSA-N 1 1 323.393 2.209 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000412028451 404066392 /nfs/dbraw/zinc/06/63/92/404066392.db2.gz MVIJMDSQBWAWPQ-LLVKDONJSA-N 1 1 317.349 2.019 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344445822 404143031 /nfs/dbraw/zinc/14/30/31/404143031.db2.gz JXDLMGPZERELGI-BETUJISGSA-N 1 1 305.378 2.078 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCCOC1 ZINC000352211284 404216842 /nfs/dbraw/zinc/21/68/42/404216842.db2.gz JPGUMFCBAXHQLU-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000341803038 404182705 /nfs/dbraw/zinc/18/27/05/404182705.db2.gz YOBIKGKFKWLIPW-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000341803038 404182708 /nfs/dbraw/zinc/18/27/08/404182708.db2.gz YOBIKGKFKWLIPW-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412225735 404196362 /nfs/dbraw/zinc/19/63/62/404196362.db2.gz HBZVUQFENSNHHW-GVAFMPQTSA-N 1 1 317.389 2.249 20 5 DEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364073924 404308666 /nfs/dbraw/zinc/30/86/66/404308666.db2.gz LVGMNKHNDYGOQF-CABCVRRESA-N 1 1 317.389 2.270 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000370235699 404378503 /nfs/dbraw/zinc/37/85/03/404378503.db2.gz MABZSTAMWOZVSN-UHFFFAOYSA-N 1 1 305.313 2.232 20 5 DEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(C[NH+]2CCCC2)on1 ZINC000291458756 404387797 /nfs/dbraw/zinc/38/77/97/404387797.db2.gz NDZTWCACLUDXSL-UHFFFAOYSA-N 1 1 316.317 2.431 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1 ZINC000338540302 404391645 /nfs/dbraw/zinc/39/16/45/404391645.db2.gz PKYWGXFBNWBRRH-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000291773523 404514200 /nfs/dbraw/zinc/51/42/00/404514200.db2.gz MYIQHXFDLZTANV-OAHLLOKOSA-N 1 1 304.350 2.154 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345060595 404524903 /nfs/dbraw/zinc/52/49/03/404524903.db2.gz HDOGYPBXDNMVPO-CHWSQXEVSA-N 1 1 319.405 2.423 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345060595 404524909 /nfs/dbraw/zinc/52/49/09/404524909.db2.gz HDOGYPBXDNMVPO-CHWSQXEVSA-N 1 1 319.405 2.423 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1F ZINC000297685179 404590085 /nfs/dbraw/zinc/59/00/85/404590085.db2.gz IFEFUVMCMXBDIL-YOGCLGLASA-N 1 1 321.352 2.397 20 5 DEBDMO COc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000345118291 404559331 /nfs/dbraw/zinc/55/93/31/404559331.db2.gz VZAHGEBALBVXBH-CMPLNLGQSA-N 1 1 322.365 2.208 20 5 DEBDMO Cc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000297651324 404577676 /nfs/dbraw/zinc/57/76/76/404577676.db2.gz YMQOEGBEQCUFCF-OCCSQVGLSA-N 1 1 317.393 2.146 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000356881903 404715853 /nfs/dbraw/zinc/71/58/53/404715853.db2.gz PCJPMBRQQLHTMG-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000356881903 404715857 /nfs/dbraw/zinc/71/58/57/404715857.db2.gz PCJPMBRQQLHTMG-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000376189808 404816080 /nfs/dbraw/zinc/81/60/80/404816080.db2.gz UCDRJMZPOZLDKQ-KBPBESRZSA-N 1 1 319.361 2.073 20 5 DEBDMO O=c1cc2c(n[nH]1)CC[N@H+](CC=Cc1ccccc1[N+](=O)[O-])C2 ZINC000361056840 404896363 /nfs/dbraw/zinc/89/63/63/404896363.db2.gz WSHVOHGALCFBTK-HYXAFXHYSA-N 1 1 312.329 2.162 20 5 DEBDMO COC[C@@]1(C)CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000451196630 404897440 /nfs/dbraw/zinc/89/74/40/404897440.db2.gz BHDLRBROQOEWGY-INIZCTEOSA-N 1 1 321.377 2.200 20 5 DEBDMO COC[C@@]1(C)CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000451196630 404897444 /nfs/dbraw/zinc/89/74/44/404897444.db2.gz BHDLRBROQOEWGY-INIZCTEOSA-N 1 1 321.377 2.200 20 5 DEBDMO CN1CC[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451548785 405011555 /nfs/dbraw/zinc/01/15/55/405011555.db2.gz OKZAHFLJFZWZPP-DZGCQCFKSA-N 1 1 303.362 2.005 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000378507506 404985540 /nfs/dbraw/zinc/98/55/40/404985540.db2.gz LMTXLDVWZSSYIC-ZBFHGGJFSA-N 1 1 319.405 2.371 20 5 DEBDMO COC[C@@]1(CO)CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000451925649 405095936 /nfs/dbraw/zinc/09/59/36/405095936.db2.gz GJIMWUFUJCYBAF-CJNGLKHVSA-N 1 1 308.378 2.295 20 5 DEBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408071856 405104244 /nfs/dbraw/zinc/10/42/44/405104244.db2.gz QMFSGRKCFQKPIY-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408071856 405104247 /nfs/dbraw/zinc/10/42/47/405104247.db2.gz QMFSGRKCFQKPIY-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451984312 405117978 /nfs/dbraw/zinc/11/79/78/405117978.db2.gz DAPXXYAHMOKPRL-QWHCGFSZSA-N 1 1 320.393 2.391 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451984312 405117982 /nfs/dbraw/zinc/11/79/82/405117982.db2.gz DAPXXYAHMOKPRL-QWHCGFSZSA-N 1 1 320.393 2.391 20 5 DEBDMO Cc1c(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000408148190 405123519 /nfs/dbraw/zinc/12/35/19/405123519.db2.gz FXZNAGWZLGAXFY-NWDGAFQWSA-N 1 1 306.366 2.460 20 5 DEBDMO CC[N@@H+](C[C@@H](C)OC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361574283 405138275 /nfs/dbraw/zinc/13/82/75/405138275.db2.gz ULDDHDCKQZYMKE-VXGBXAGGSA-N 1 1 309.366 2.279 20 5 DEBDMO COc1ccc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425357508 405279144 /nfs/dbraw/zinc/27/91/44/405279144.db2.gz PBIFYMSTGIUVSV-DZGCQCFKSA-N 1 1 305.378 2.129 20 5 DEBDMO C[N@@H+](CCCCNC(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000454272600 405321251 /nfs/dbraw/zinc/32/12/51/405321251.db2.gz IAXFPZXGBCYSBU-UHFFFAOYSA-N 1 1 320.393 2.268 20 5 DEBDMO [NH3+]C[C@H](NCCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000420360494 405331457 /nfs/dbraw/zinc/33/14/57/405331457.db2.gz HFIQCCCVGBXBAD-AWEZNQCLSA-N 1 1 307.394 2.471 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421088691 405445941 /nfs/dbraw/zinc/44/59/41/405445941.db2.gz DGMLTOWFWCJPOA-GFCCVEGCSA-N 1 1 322.365 2.161 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000421501917 405521838 /nfs/dbraw/zinc/52/18/38/405521838.db2.gz DMXIOIQWIIBNRA-GXTWGEPZSA-N 1 1 305.378 2.424 20 5 DEBDMO COC(=O)c1cnc(NCC[N@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000450951461 405998637 /nfs/dbraw/zinc/99/86/37/405998637.db2.gz PXBZUXGDIXATHJ-UHFFFAOYSA-N 1 1 322.365 2.063 20 5 DEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000532690993 406094032 /nfs/dbraw/zinc/09/40/32/406094032.db2.gz SZDMTXDSLQEWCZ-ZDUSSCGKSA-N 1 1 322.409 2.174 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000516547565 406097251 /nfs/dbraw/zinc/09/72/51/406097251.db2.gz WTFAORIDVRGPOC-JSGCOSHPSA-N 1 1 320.393 2.391 20 5 DEBDMO C[N@@H+](CCCCNC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000562587986 406038820 /nfs/dbraw/zinc/03/88/20/406038820.db2.gz NFXNPPLFBAOQIZ-UHFFFAOYSA-N 1 1 320.393 2.268 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000515427592 406068874 /nfs/dbraw/zinc/06/88/74/406068874.db2.gz UDHYSGINMUTIFN-CYBMUJFWSA-N 1 1 320.393 2.193 20 5 DEBDMO Cc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000488711253 406340000 /nfs/dbraw/zinc/34/00/00/406340000.db2.gz HMLOYISLUXJHRF-YRGRVCCFSA-N 1 1 304.394 2.465 20 5 DEBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000569139915 292393545 /nfs/dbraw/zinc/39/35/45/292393545.db2.gz YWHLJXSSTUDXTI-UHFFFAOYSA-N 1 1 308.382 2.309 20 5 DEBDMO C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]12 ZINC000525788061 406503035 /nfs/dbraw/zinc/50/30/35/406503035.db2.gz DPZRQKODUAOYDE-OEAJRASXSA-N 1 1 322.409 2.053 20 5 DEBDMO COc1cc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c1C ZINC000552039123 406677222 /nfs/dbraw/zinc/67/72/22/406677222.db2.gz MADQZCYDYNFRDD-UHFFFAOYSA-N 1 1 321.377 2.078 20 5 DEBDMO COc1cc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c1C ZINC000552039123 406677233 /nfs/dbraw/zinc/67/72/33/406677233.db2.gz MADQZCYDYNFRDD-UHFFFAOYSA-N 1 1 321.377 2.078 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491891014 406765721 /nfs/dbraw/zinc/76/57/21/406765721.db2.gz YJZXUEIEBMVFCD-KTRBRXNASA-N 1 1 303.362 2.161 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000134490105 196396712 /nfs/dbraw/zinc/39/67/12/196396712.db2.gz YVGRAVXEQPXPBB-GXSJLCMTSA-N 1 1 307.325 2.089 20 5 DEBDMO CC(C)Oc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000570107391 424925810 /nfs/dbraw/zinc/92/58/10/424925810.db2.gz UZMHAUJLJSJMCK-VXGBXAGGSA-N 1 1 308.382 2.672 20 5 DEBDMO Cn1c2ccccc2[nH+]c1NCCNc1ccc([N+](=O)[O-])cc1 ZINC000342710392 424966122 /nfs/dbraw/zinc/96/61/22/424966122.db2.gz QDGWTZWGPUXHJR-UHFFFAOYSA-N 1 1 311.345 3.006 20 5 DEBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])c(OC(C)C)n1)C1CC1 ZINC000594548004 425012589 /nfs/dbraw/zinc/01/25/89/425012589.db2.gz ATXDSTRFJOAODN-UHFFFAOYSA-N 1 1 308.382 2.673 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000599139469 425042649 /nfs/dbraw/zinc/04/26/49/425042649.db2.gz OIFQRXQPOFVVDZ-LBPRGKRZSA-N 1 1 315.377 2.682 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352362182 425045378 /nfs/dbraw/zinc/04/53/78/425045378.db2.gz UVUBZJDWAVHRSU-ZDUSSCGKSA-N 1 1 300.362 3.039 20 5 DEBDMO COCCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430210970 269126317 /nfs/dbraw/zinc/12/63/17/269126317.db2.gz GKXHBMUOBOZCAP-OAHLLOKOSA-N 1 1 324.377 2.231 20 5 DEBDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430210970 269126318 /nfs/dbraw/zinc/12/63/18/269126318.db2.gz GKXHBMUOBOZCAP-OAHLLOKOSA-N 1 1 324.377 2.231 20 5 DEBDMO CN(C)C(=O)O[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000496573628 269231926 /nfs/dbraw/zinc/23/19/26/269231926.db2.gz SMZGISQIMZVCFG-BRLPQQTGSA-N 1 1 319.361 2.381 20 5 DEBDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000496573628 269231927 /nfs/dbraw/zinc/23/19/27/269231927.db2.gz SMZGISQIMZVCFG-BRLPQQTGSA-N 1 1 319.361 2.381 20 5 DEBDMO C[C@@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000515309998 269348776 /nfs/dbraw/zinc/34/87/76/269348776.db2.gz NQZCIRMBPRILJE-IVMMDQJWSA-N 1 1 317.389 2.393 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000267728917 274335542 /nfs/dbraw/zinc/33/55/42/274335542.db2.gz UJXQDTRGMCGSJH-ZYHUDNBSSA-N 1 1 308.338 2.279 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000268165475 274344340 /nfs/dbraw/zinc/34/43/40/274344340.db2.gz PODZDIFKZPONQD-PSASIEDQSA-N 1 1 307.379 2.199 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055400535 279309299 /nfs/dbraw/zinc/30/92/99/279309299.db2.gz HGGMCJZNMJQKHS-CHWSQXEVSA-N 1 1 305.378 2.445 20 5 DEBDMO CC[C@@H](O)CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272565342 280200550 /nfs/dbraw/zinc/20/05/50/280200550.db2.gz UVCJZCQEMBPFLB-HUUCEWRRSA-N 1 1 318.377 2.168 20 5 DEBDMO Cc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000157027769 280327887 /nfs/dbraw/zinc/32/78/87/280327887.db2.gz DMUUWAMVFUIZTH-GOEBONIOSA-N 1 1 317.389 2.460 20 5 DEBDMO Cc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)c1 ZINC000573811229 326094858 /nfs/dbraw/zinc/09/48/58/326094858.db2.gz PAMBMRKHEVEFBO-UHFFFAOYSA-N 1 1 317.324 2.159 20 5 DEBDMO CCc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc(C)[nH+]1 ZINC000574253594 326136908 /nfs/dbraw/zinc/13/69/08/326136908.db2.gz DBVSPEPCIXWEPP-UHFFFAOYSA-N 1 1 316.365 2.294 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000574809913 326188971 /nfs/dbraw/zinc/18/89/71/326188971.db2.gz XOVQDMRUAUHROZ-OAHLLOKOSA-N 1 1 306.362 2.475 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000574809913 326188972 /nfs/dbraw/zinc/18/89/72/326188972.db2.gz XOVQDMRUAUHROZ-OAHLLOKOSA-N 1 1 306.362 2.475 20 5 DEBDMO C[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000575814387 326248378 /nfs/dbraw/zinc/24/83/78/326248378.db2.gz MEDWWHALXAOJFN-LLVKDONJSA-N 1 1 323.368 2.390 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000583275256 337300642 /nfs/dbraw/zinc/30/06/42/337300642.db2.gz OUNWWODSTVOWLP-GFCCVEGCSA-N 1 1 316.361 2.410 20 5 DEBDMO COc1cc(CN2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000442920373 533804672 /nfs/dbraw/zinc/80/46/72/533804672.db2.gz KZYLIYKCHUMJTH-LBPRGKRZSA-N 1 1 323.393 2.173 20 5 DEBDMO COC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000112988993 522458344 /nfs/dbraw/zinc/45/83/44/522458344.db2.gz WSTRLRIMUQCVGH-CYBMUJFWSA-N 1 1 321.377 2.200 20 5 DEBDMO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000112988993 522458352 /nfs/dbraw/zinc/45/83/52/522458352.db2.gz WSTRLRIMUQCVGH-CYBMUJFWSA-N 1 1 321.377 2.200 20 5 DEBDMO C[N@@H+](CCC(=O)N1CCCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000338354639 522673189 /nfs/dbraw/zinc/67/31/89/522673189.db2.gz ZRUGTZVRXZRGHC-UHFFFAOYSA-N 1 1 319.405 2.472 20 5 DEBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCC[C@H]1O ZINC000246912658 523180199 /nfs/dbraw/zinc/18/01/99/523180199.db2.gz RRSWOAITMITRIQ-IAQYHMDHSA-N 1 1 322.361 2.054 20 5 DEBDMO NC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000339533864 526903506 /nfs/dbraw/zinc/90/35/06/526903506.db2.gz DSDMKBDRRIXSLD-OAHLLOKOSA-N 1 1 317.320 2.440 20 5 DEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000245439842 527045287 /nfs/dbraw/zinc/04/52/87/527045287.db2.gz GBKJSJPTAONRIB-BXUZGUMPSA-N 1 1 303.362 2.458 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339674541 527403804 /nfs/dbraw/zinc/40/38/04/527403804.db2.gz AWNCJIMVQSILIZ-CABCVRRESA-N 1 1 320.389 2.457 20 5 DEBDMO CC(C)CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000441527694 527720600 /nfs/dbraw/zinc/72/06/00/527720600.db2.gz VXOMJJVPSMEZRB-MRXNPFEDSA-N 1 1 324.425 2.443 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000427869494 527982286 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2.213 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000493067019 536382717 /nfs/dbraw/zinc/38/27/17/536382717.db2.gz UZGQQRFCRLINHD-MYSGNRETSA-N 1 1 317.389 2.456 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000247321859 536472764 /nfs/dbraw/zinc/47/27/64/536472764.db2.gz SNDCKYJXGBDEBB-XHDPSFHLSA-N 1 1 321.352 2.290 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001327725753 1148632609 /nfs/dbraw/zinc/63/26/09/1148632609.db2.gz IZVSSEFEOKJRCV-OAHLLOKOSA-N 1 1 312.373 2.407 20 5 DEBDMO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)[N@H+]1CCc2ccccc2C1 ZINC000891736784 624568816 /nfs/dbraw/zinc/56/88/16/624568816.db2.gz QELKRFDUTUHAAZ-LBPRGKRZSA-N 1 1 315.377 2.187 20 5 DEBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000933753220 624616118 /nfs/dbraw/zinc/61/61/18/624616118.db2.gz UGDZXOMNNCZEQY-NHYWBVRUSA-N 1 1 323.780 2.336 20 5 DEBDMO C[C@H](NC(=O)NCC[N@H+]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000892113478 624785749 /nfs/dbraw/zinc/78/57/49/624785749.db2.gz XKOGNHVYZLQBOI-STQMWFEESA-N 1 1 320.393 2.439 20 5 DEBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1c1ccccc1 ZINC000934322035 624842060 /nfs/dbraw/zinc/84/20/60/624842060.db2.gz XMPUJUWPJVYPOL-AWEZNQCLSA-N 1 1 315.377 2.002 20 5 DEBDMO C[N@@H+]1CCCC[C@@H]1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000745081879 625051089 /nfs/dbraw/zinc/05/10/89/625051089.db2.gz LCBRGZOHWDQWHE-CYBMUJFWSA-N 1 1 308.334 2.001 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000745081879 625051093 /nfs/dbraw/zinc/05/10/93/625051093.db2.gz LCBRGZOHWDQWHE-CYBMUJFWSA-N 1 1 308.334 2.001 20 5 DEBDMO CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001026142023 625153223 /nfs/dbraw/zinc/15/32/23/625153223.db2.gz DCWLDWSBZJBEPS-FICVDOATSA-N 1 1 317.389 2.187 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000892660019 625237590 /nfs/dbraw/zinc/23/75/90/625237590.db2.gz XWELNBHMCGMRDF-ZDUSSCGKSA-N 1 1 322.409 2.338 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1Cl ZINC000836784867 650129418 /nfs/dbraw/zinc/12/94/18/650129418.db2.gz JFBZAJANDUUOAD-PHIMTYICSA-N 1 1 323.780 2.190 20 5 DEBDMO O=C(C1CCC1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980598865 635059318 /nfs/dbraw/zinc/05/93/18/635059318.db2.gz OWHQBSHFELJTPY-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO O=C(C1CCC1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980598865 635059320 /nfs/dbraw/zinc/05/93/20/635059320.db2.gz OWHQBSHFELJTPY-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000893873514 636052760 /nfs/dbraw/zinc/05/27/60/636052760.db2.gz QKUYVZGYYICZHY-KUGGDMIFSA-N 1 1 303.362 2.209 20 5 DEBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893909148 636062927 /nfs/dbraw/zinc/06/29/27/636062927.db2.gz XPDZKPVCYYEBPD-HNNXBMFYSA-N 1 1 310.350 2.046 20 5 DEBDMO CCC[NH+](CCC)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000073755406 636426530 /nfs/dbraw/zinc/42/65/30/636426530.db2.gz GHYIYXZUQSDJAQ-UHFFFAOYSA-N 1 1 305.334 2.270 20 5 DEBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCC2CCCC2)CC1 ZINC001005384233 636727534 /nfs/dbraw/zinc/72/75/34/636727534.db2.gz ZIQYWVNGMNOIRM-HZPDHXFCSA-N 1 1 323.437 2.155 20 5 DEBDMO COC[C@]1(C)CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000894672044 637156054 /nfs/dbraw/zinc/15/60/54/637156054.db2.gz SDRBPXCLOOXDJO-OAHLLOKOSA-N 1 1 310.350 2.167 20 5 DEBDMO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928454471 637291293 /nfs/dbraw/zinc/29/12/93/637291293.db2.gz NGRNGMFUOOLPIZ-KOLCDFICSA-N 1 1 309.391 2.139 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838281836 637515530 /nfs/dbraw/zinc/51/55/30/637515530.db2.gz RAQCBDLVGNZESJ-HIFRSBDPSA-N 1 1 322.361 2.046 20 5 DEBDMO C[N@@H+](CCC(=O)N1CCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000838983059 637738117 /nfs/dbraw/zinc/73/81/17/637738117.db2.gz KVLWUNYHVVKCNM-UHFFFAOYSA-N 1 1 305.378 2.082 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1ncnc2sc([N+](=O)[O-])cc21 ZINC000895192397 637776133 /nfs/dbraw/zinc/77/61/33/637776133.db2.gz HKGSJEFORRGMSR-VHSXEESVSA-N 1 1 319.390 2.272 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000839392888 637866104 /nfs/dbraw/zinc/86/61/04/637866104.db2.gz RROXPRCGVSOBIL-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000839392888 637866105 /nfs/dbraw/zinc/86/61/05/637866105.db2.gz RROXPRCGVSOBIL-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CCC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740858829 637910845 /nfs/dbraw/zinc/91/08/45/637910845.db2.gz LKXQNOUCWSTETK-MCIONIFRSA-N 1 1 308.382 2.274 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000744346087 638212792 /nfs/dbraw/zinc/21/27/92/638212792.db2.gz VOUMHKOPOVTLGR-LLVKDONJSA-N 1 1 316.361 2.290 20 5 DEBDMO COc1c(O)ccc(CN2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000895849074 638231777 /nfs/dbraw/zinc/23/17/77/638231777.db2.gz RIMLVVYIYJKUMW-CYBMUJFWSA-N 1 1 323.393 2.081 20 5 DEBDMO COC(=O)N[C@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000895849606 638233218 /nfs/dbraw/zinc/23/32/18/638233218.db2.gz ZVXRGLGVKAIDJR-UNJUUPHPSA-N 1 1 319.361 2.428 20 5 DEBDMO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000749258798 638630149 /nfs/dbraw/zinc/63/01/49/638630149.db2.gz YLIWTVMHTWBHKI-LBPRGKRZSA-N 1 1 309.341 2.035 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000749800254 638682880 /nfs/dbraw/zinc/68/28/80/638682880.db2.gz RAOFNHSSXNATCH-KBPBESRZSA-N 1 1 316.361 2.260 20 5 DEBDMO CC[C@H]1C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CCS1 ZINC000749959034 638698472 /nfs/dbraw/zinc/69/84/72/638698472.db2.gz GPOJVGZAZRZORA-LBPRGKRZSA-N 1 1 321.406 2.433 20 5 DEBDMO CC[C@H]1C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CCS1 ZINC000749959034 638698475 /nfs/dbraw/zinc/69/84/75/638698475.db2.gz GPOJVGZAZRZORA-LBPRGKRZSA-N 1 1 321.406 2.433 20 5 DEBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000757642266 639863528 /nfs/dbraw/zinc/86/35/28/639863528.db2.gz KWQBCVLKEOUUNE-LLVKDONJSA-N 1 1 304.325 2.457 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000897427857 640185537 /nfs/dbraw/zinc/18/55/37/640185537.db2.gz AANLRHQNUSYZFE-CYBMUJFWSA-N 1 1 320.393 2.078 20 5 DEBDMO Cc1nn(C[N@H+]2CCOC[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761290923 640295023 /nfs/dbraw/zinc/29/50/23/640295023.db2.gz FXQALIWDCOWBMN-LLVKDONJSA-N 1 1 304.350 2.179 20 5 DEBDMO Cc1nn(C[N@@H+]2CCOC[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761290923 640295025 /nfs/dbraw/zinc/29/50/25/640295025.db2.gz FXQALIWDCOWBMN-LLVKDONJSA-N 1 1 304.350 2.179 20 5 DEBDMO CC(C)[C@@H](N)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841029376 640848308 /nfs/dbraw/zinc/84/83/08/640848308.db2.gz GUCOVSLDEFUECT-INIZCTEOSA-N 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ZINC000886301060 692049409 /nfs/dbraw/zinc/04/94/09/692049409.db2.gz VBIBPADYUBAWMU-MJBXVCDLSA-N 1 1 319.361 2.153 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000886301060 692049413 /nfs/dbraw/zinc/04/94/13/692049413.db2.gz VBIBPADYUBAWMU-MJBXVCDLSA-N 1 1 319.361 2.153 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886562021 692110697 /nfs/dbraw/zinc/11/06/97/692110697.db2.gz OTOXTUFHDZIZMR-TXEJJXNPSA-N 1 1 321.402 2.137 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886562021 692110700 /nfs/dbraw/zinc/11/07/00/692110700.db2.gz OTOXTUFHDZIZMR-TXEJJXNPSA-N 1 1 321.402 2.137 20 5 DEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000886591051 692121563 /nfs/dbraw/zinc/12/15/63/692121563.db2.gz KMPAMEBCOLIACQ-CQSZACIVSA-N 1 1 320.393 2.101 20 5 DEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000886591051 692121565 /nfs/dbraw/zinc/12/15/65/692121565.db2.gz KMPAMEBCOLIACQ-CQSZACIVSA-N 1 1 320.393 2.101 20 5 DEBDMO C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000887400953 692355227 /nfs/dbraw/zinc/35/52/27/692355227.db2.gz MWTFFNYEKDIBOQ-GFCCVEGCSA-N 1 1 305.378 2.299 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932354832 694600213 /nfs/dbraw/zinc/60/02/13/694600213.db2.gz YMAQJSRLERPCTL-JKSUJKDBSA-N 1 1 317.389 2.253 20 5 DEBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001333681637 1150078445 /nfs/dbraw/zinc/07/84/45/1150078445.db2.gz UYSMMEHPQILMDV-LLVKDONJSA-N 1 1 310.350 2.167 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001345488046 1150892686 /nfs/dbraw/zinc/89/26/86/1150892686.db2.gz CKFNEABHIHXQJV-GFCCVEGCSA-N 1 1 306.366 2.367 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC001348565088 1151170603 /nfs/dbraw/zinc/17/06/03/1151170603.db2.gz LFRLGHLRMXATPH-AEJSXWLSSA-N 1 1 307.379 2.056 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC001545820657 1175322310 /nfs/dbraw/zinc/32/23/10/1175322310.db2.gz DZVMVBXCHBPBOY-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001545820657 1175322320 /nfs/dbraw/zinc/32/23/20/1175322320.db2.gz DZVMVBXCHBPBOY-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CCC[N@@H+]1CCCC[C@@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC001332182759 1149831417 /nfs/dbraw/zinc/83/14/17/1149831417.db2.gz GIAMKHFBYOIWDS-CYBMUJFWSA-N 1 1 307.350 2.298 20 5 DEBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC001332182759 1149831419 /nfs/dbraw/zinc/83/14/19/1149831419.db2.gz GIAMKHFBYOIWDS-CYBMUJFWSA-N 1 1 307.350 2.298 20 5 DEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)[C@@H](C)C1 ZINC001126340632 778766455 /nfs/dbraw/zinc/76/64/55/778766455.db2.gz SYVJMMAAGNSRGF-XHDPSFHLSA-N 1 1 320.393 2.101 20 5 DEBDMO COc1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)nc1[N+](=O)[O-] ZINC001167989672 779204411 /nfs/dbraw/zinc/20/44/11/779204411.db2.gz CZPDWGGYODPXAN-UHFFFAOYSA-N 1 1 305.269 2.169 20 5 DEBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000745089879 784667032 /nfs/dbraw/zinc/66/70/32/784667032.db2.gz SCTIICHCHQJRCR-AWEZNQCLSA-N 1 1 322.361 2.391 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000745089879 784667034 /nfs/dbraw/zinc/66/70/34/784667034.db2.gz SCTIICHCHQJRCR-AWEZNQCLSA-N 1 1 322.361 2.391 20 5 DEBDMO C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008269 785001206 /nfs/dbraw/zinc/00/12/06/785001206.db2.gz SMEJWKWMCJEUSL-JSGCOSHPSA-N 1 1 306.362 2.335 20 5 DEBDMO COC(=O)c1ccc2c(c1)CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169010233 785003130 /nfs/dbraw/zinc/00/31/30/785003130.db2.gz BPJCJXLKAXGCCT-WBMJQRKESA-N 1 1 318.373 2.277 20 5 DEBDMO Cc1cccnc1O[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169048649 785021613 /nfs/dbraw/zinc/02/16/13/785021613.db2.gz AHOPJVRRUQCQOT-QLFBSQMISA-N 1 1 305.378 2.289 20 5 DEBDMO COC(=O)c1cccc2c1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169050447 785022142 /nfs/dbraw/zinc/02/21/42/785022142.db2.gz ZRDCMBLRDVURDX-OCCSQVGLSA-N 1 1 318.373 2.277 20 5 DEBDMO Cc1cc(O[C@@H]2CCC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)ncn1 ZINC001169057917 785024966 /nfs/dbraw/zinc/02/49/66/785024966.db2.gz YXKZPTXVJYHZMZ-RRFJBIMHSA-N 1 1 320.393 2.074 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170329383 786910688 /nfs/dbraw/zinc/91/06/88/786910688.db2.gz PTVXRWUJTMHTGM-TZMCWYRMSA-N 1 1 308.378 2.381 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170335147 786914610 /nfs/dbraw/zinc/91/46/10/786914610.db2.gz LRJDYIYMNKFFSV-DGCLKSJQSA-N 1 1 322.361 2.029 20 5 DEBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001131352251 787602367 /nfs/dbraw/zinc/60/23/67/787602367.db2.gz WGRJKYBTVNJLRK-UHFFFAOYSA-N 1 1 308.382 2.148 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)n1 ZINC001131914945 787807540 /nfs/dbraw/zinc/80/75/40/787807540.db2.gz FKSHKSMCQISAPA-CYBMUJFWSA-N 1 1 318.377 2.045 20 5 DEBDMO C[C@H](C(=O)OCc1cccnc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001333861212 1150105468 /nfs/dbraw/zinc/10/54/68/1150105468.db2.gz RCMLZHQJYCPEIH-GRYCIOLGSA-N 1 1 307.350 2.294 20 5 DEBDMO CCC[N@@H+](C)CCC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101713068 793335162 /nfs/dbraw/zinc/33/51/62/793335162.db2.gz ZWKQEYGWODSXTI-UHFFFAOYSA-N 1 1 322.409 2.197 20 5 DEBDMO CN1CC[C@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899711 793522806 /nfs/dbraw/zinc/52/28/06/793522806.db2.gz OWTVANSDTUSZQI-CJNGLKHVSA-N 1 1 303.406 2.384 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@H](F)[C@H](O)C1)CC2 ZINC001172903059 793522894 /nfs/dbraw/zinc/52/28/94/793522894.db2.gz DPZAALMOXFHGQV-NUEKZKHPSA-N 1 1 308.353 2.247 20 5 DEBDMO CN1CC[C@@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899708 793522986 /nfs/dbraw/zinc/52/29/86/793522986.db2.gz OWTVANSDTUSZQI-BBRMVZONSA-N 1 1 303.406 2.384 20 5 DEBDMO COCC[N@@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182476 793622359 /nfs/dbraw/zinc/62/23/59/793622359.db2.gz FYOWJSQMEOEZIH-JTQLQIEISA-N 1 1 300.330 2.252 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cocn2)c1F ZINC001173190597 793623485 /nfs/dbraw/zinc/62/34/85/793623485.db2.gz ZIOMJMWHRIJHIS-SECBINFHSA-N 1 1 309.297 2.451 20 5 DEBDMO Cn1cc([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC001176880259 794521341 /nfs/dbraw/zinc/52/13/41/794521341.db2.gz UEXMZIJAMAUVTM-GFCCVEGCSA-N 1 1 301.350 2.103 20 5 DEBDMO CC1(C)CCC[N@@H+]1CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120590160 795493765 /nfs/dbraw/zinc/49/37/65/795493765.db2.gz MHDOVPQNYGCOIO-HNNXBMFYSA-N 1 1 307.394 2.092 20 5 DEBDMO CC1(C)CCC[N@H+]1CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120590160 795493773 /nfs/dbraw/zinc/49/37/73/795493773.db2.gz MHDOVPQNYGCOIO-HNNXBMFYSA-N 1 1 307.394 2.092 20 5 DEBDMO CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087331 795588150 /nfs/dbraw/zinc/58/81/50/795588150.db2.gz FAVRVRPMZOCNCA-SJHSKDDPSA-N 1 1 321.421 2.025 20 5 DEBDMO C[NH+](C)/C=C/c1cc(NC2(CO)CCCC2)ncc1[N+](=O)[O-] ZINC001157008657 798126384 /nfs/dbraw/zinc/12/63/84/798126384.db2.gz PWTNHHMKVKCMER-VMPITWQZSA-N 1 1 306.366 2.239 20 5 DEBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)n1 ZINC001157264314 798172185 /nfs/dbraw/zinc/17/21/85/798172185.db2.gz FCXDKAYKFBNIIB-CMPLNLGQSA-N 1 1 310.785 2.482 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)nc1Cl ZINC001157265613 798173184 /nfs/dbraw/zinc/17/31/84/798173184.db2.gz KBMKJPKXNXTXIQ-JQWIXIFHSA-N 1 1 310.785 2.482 20 5 DEBDMO CC(C)Oc1nc(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC001157270770 798174532 /nfs/dbraw/zinc/17/45/32/798174532.db2.gz GGMRBGNEUUFWAE-JSGCOSHPSA-N 1 1 320.393 2.307 20 5 DEBDMO CNC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001197758721 798228932 /nfs/dbraw/zinc/22/89/32/798228932.db2.gz KXPNQHNLHVMLEQ-OLZOCXBDSA-N 1 1 320.393 2.358 20 5 DEBDMO C[NH+](C)/C=C/c1cc(NC[C@H]2C[C@@](C)(O)C2)ncc1[N+](=O)[O-] ZINC001157559182 798230528 /nfs/dbraw/zinc/23/05/28/798230528.db2.gz SLSVMUDUTVWEBF-KFGNKUSCSA-N 1 1 306.366 2.095 20 5 DEBDMO CCC[N@@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC001157691809 798260304 /nfs/dbraw/zinc/26/03/04/798260304.db2.gz ZAIHLSBEVGKQBV-PHIMTYICSA-N 1 1 310.785 2.421 20 5 DEBDMO [NH3+]CCc1cn(-c2ncc(Cl)cc2[N+](=O)[O-])c2ccncc12 ZINC001160944366 798766950 /nfs/dbraw/zinc/76/69/50/798766950.db2.gz GNTNWKKHHBYLNT-UHFFFAOYSA-N 1 1 317.736 2.483 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CCNc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001160966603 798772157 /nfs/dbraw/zinc/77/21/57/798772157.db2.gz RNFMHLUJQNCFIY-LLVKDONJSA-N 1 1 301.350 2.434 20 5 DEBDMO CC(C)(C)[C@@H](C[NH+]1CCOCC1)Nc1cc([N+](=O)[O-])ccn1 ZINC001162877690 799194202 /nfs/dbraw/zinc/19/42/02/799194202.db2.gz NAUZELDPDAIQMN-CYBMUJFWSA-N 1 1 308.382 2.149 20 5 DEBDMO CCOC(=O)c1cccc([N+](=O)[O-])c1NCCn1cc[nH+]c1C ZINC001163922984 799457730 /nfs/dbraw/zinc/45/77/30/799457730.db2.gz CABSBSVDVWJGJE-UHFFFAOYSA-N 1 1 318.333 2.389 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(N2CCC(F)(F)[C@H]([NH3+])C2)nc1Cl ZINC001164319826 799570201 /nfs/dbraw/zinc/57/02/01/799570201.db2.gz QKFXLJCLWXSAPV-MRVPVSSYSA-N 1 1 306.700 2.124 20 5 DEBDMO CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000933485709 800107516 /nfs/dbraw/zinc/10/75/16/800107516.db2.gz KFDSACHXMBUTFE-ARFHVFGLSA-N 1 1 317.389 2.251 20 5 DEBDMO O=C1OCCCN1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000933616884 800139905 /nfs/dbraw/zinc/13/99/05/800139905.db2.gz RUDXUSJMXFXQMH-UHFFFAOYSA-N 1 1 319.361 2.402 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2C[C@H]2CCOC2)cc1 ZINC000933673544 800158452 /nfs/dbraw/zinc/15/84/52/800158452.db2.gz WIOHHFAJYAJNKV-WBVHZDCISA-N 1 1 320.389 2.265 20 5 DEBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000934116002 800265180 /nfs/dbraw/zinc/26/51/80/800265180.db2.gz DLERFSWQRUBAJT-GJZGRUSLSA-N 1 1 321.377 2.341 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000935805257 800775020 /nfs/dbraw/zinc/77/50/20/800775020.db2.gz KAXCFZHFEADLIH-UHFFFAOYSA-N 1 1 323.418 2.483 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000935805257 800775021 /nfs/dbraw/zinc/77/50/21/800775021.db2.gz KAXCFZHFEADLIH-UHFFFAOYSA-N 1 1 323.418 2.483 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000935915285 800797906 /nfs/dbraw/zinc/79/79/06/800797906.db2.gz JLPNEMISFUGNPH-INIZCTEOSA-N 1 1 319.405 2.469 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229057037 801216705 /nfs/dbraw/zinc/21/67/05/801216705.db2.gz ZVUSFILVKKUMRT-PTEHBNRSSA-N 1 1 320.345 2.385 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229363325 801263858 /nfs/dbraw/zinc/26/38/58/801263858.db2.gz CPTALDZSDMJCGG-NSHDSACASA-N 1 1 318.333 2.105 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001230724146 801475288 /nfs/dbraw/zinc/47/52/88/801475288.db2.gz SDLVOAQSQMXBGO-PEYYIBSZSA-N 1 1 304.346 2.395 20 5 DEBDMO CC[N@H+]1CCC[C@@H](O[C@@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223648073 802806361 /nfs/dbraw/zinc/80/63/61/802806361.db2.gz LVOYQYONEBORTC-IUODEOHRSA-N 1 1 322.361 2.310 20 5 DEBDMO CC[N@H+]1CCC[C@H](OCc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001223692001 802809026 /nfs/dbraw/zinc/80/90/26/802809026.db2.gz YDSGSQKGHATSAT-HNNXBMFYSA-N 1 1 322.361 2.382 20 5 DEBDMO COC(=O)c1ccc(O[C@@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001227295325 803228753 /nfs/dbraw/zinc/22/87/53/803228753.db2.gz MKOKCJXTOVFYOG-GFCCVEGCSA-N 1 1 308.334 2.245 20 5 DEBDMO Cc1nc(Cl)nc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC001227336019 803231456 /nfs/dbraw/zinc/23/14/56/803231456.db2.gz YHIHXZHLOZQOJY-MYJAWHEDSA-N 1 1 312.757 2.351 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001334919434 1150355182 /nfs/dbraw/zinc/35/51/82/1150355182.db2.gz XAOHSIHSBFNWHZ-RISCZKNCSA-N 1 1 322.361 2.310 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)n1 ZINC001526815976 1070354262 /nfs/dbraw/zinc/35/42/62/1070354262.db2.gz ZXAHSVFDQHIMGS-QWHCGFSZSA-N 1 1 320.393 2.291 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001604805378 1070501504 /nfs/dbraw/zinc/50/15/04/1070501504.db2.gz KJNYJENSIZBMSR-UHFFFAOYSA-N 1 1 324.344 2.407 20 5 DEBDMO Cc1c[nH+]cn1CC(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001531549571 1071532960 /nfs/dbraw/zinc/53/29/60/1071532960.db2.gz YKBJKKXJQDWESH-UHFFFAOYSA-N 1 1 311.301 2.287 20 5 DEBDMO O=C(NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCC1 ZINC001493338115 1063725308 /nfs/dbraw/zinc/72/53/08/1063725308.db2.gz VODAQCDRQCLFAE-UHFFFAOYSA-N 1 1 317.389 2.476 20 5 DEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001616946603 1078136519 /nfs/dbraw/zinc/13/65/19/1078136519.db2.gz OWJIEFKFIMKWAA-LBPRGKRZSA-N 1 1 320.393 2.171 20 5 DEBDMO C[C@@]([NH3+])(C(=O)N1C[C@H]2CCCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001576082223 1066490015 /nfs/dbraw/zinc/49/00/15/1066490015.db2.gz VKJBVLINWHQADI-XFJVYGCCSA-N 1 1 303.362 2.170 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC001579735102 1067413059 /nfs/dbraw/zinc/41/30/59/1067413059.db2.gz XFIZKLSLNTZSJK-OCCSQVGLSA-N 1 1 307.394 2.414 20 5 DEBDMO C[C@@H]1C[N@@H+](C2CC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001638816958 1078581108 /nfs/dbraw/zinc/58/11/08/1078581108.db2.gz ZSDMNOQEBFLRET-SNVBAGLBSA-N 1 1 307.325 2.043 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001638816958 1078581111 /nfs/dbraw/zinc/58/11/11/1078581111.db2.gz ZSDMNOQEBFLRET-SNVBAGLBSA-N 1 1 307.325 2.043 20 5 DEBDMO C[N@@H+](CCNC(=O)CC(C)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001267215610 1078671547 /nfs/dbraw/zinc/67/15/47/1078671547.db2.gz MWDSAACBALMAAV-UHFFFAOYSA-N 1 1 315.320 2.188 20 5 DEBDMO C[N@H+](CCNC(=O)CC(C)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001267215610 1078671545 /nfs/dbraw/zinc/67/15/45/1078671545.db2.gz MWDSAACBALMAAV-UHFFFAOYSA-N 1 1 315.320 2.188 20 5 DEBDMO C[N@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001643109272 1078784751 /nfs/dbraw/zinc/78/47/51/1078784751.db2.gz PPNZBWIFDKYMCB-JTQLQIEISA-N 1 1 323.422 2.471 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001518900997 1069021874 /nfs/dbraw/zinc/02/18/74/1069021874.db2.gz UOYCUKDQAYGBSW-LOWVWBTDSA-N 1 1 323.780 2.318 20 5 DEBDMO CC[N@H+](CCOc1ccc(Br)cc1)CC[N+](=O)[O-] ZINC001644710162 1078858051 /nfs/dbraw/zinc/85/80/51/1078858051.db2.gz GXTKPMRHVRJCBI-UHFFFAOYSA-N 1 1 317.183 2.427 20 5 DEBDMO CC[N@@H+](CCOc1ccc(Br)cc1)CC[N+](=O)[O-] ZINC001644710162 1078858062 /nfs/dbraw/zinc/85/80/62/1078858062.db2.gz GXTKPMRHVRJCBI-UHFFFAOYSA-N 1 1 317.183 2.427 20 5 DEBDMO C[NH+](C)Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)o1 ZINC001543742565 1072506375 /nfs/dbraw/zinc/50/63/75/1072506375.db2.gz DOYOCIONAPEXCG-UHFFFAOYSA-N 1 1 303.318 2.179 20 5 DEBDMO CC[N@@H+]1CC[C@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001543969346 1072512764 /nfs/dbraw/zinc/51/27/64/1072512764.db2.gz NXNCGHKJBNPXES-DZGCQCFKSA-N 1 1 321.402 2.263 20 5 DEBDMO CC[N@H+]1CC[C@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001543969346 1072512777 /nfs/dbraw/zinc/51/27/77/1072512777.db2.gz NXNCGHKJBNPXES-DZGCQCFKSA-N 1 1 321.402 2.263 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@]1(CO)c1ccccc1 ZINC001648635545 1075003741 /nfs/dbraw/zinc/00/37/41/1075003741.db2.gz RFWSCDNTWSXPCO-KRWDZBQOSA-N 1 1 313.357 2.473 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@]1(CO)c1ccccc1 ZINC001648635545 1075003742 /nfs/dbraw/zinc/00/37/42/1075003742.db2.gz RFWSCDNTWSXPCO-KRWDZBQOSA-N 1 1 313.357 2.473 20 5 DEBDMO CC1(C)CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590099437 1076563895 /nfs/dbraw/zinc/56/38/95/1076563895.db2.gz IYVSFQJMQKGWMV-UHFFFAOYSA-N 1 1 302.338 2.007 20 5 DEBDMO CC[N@@H+](C)Cc1cccc(CNc2nn(C)cc2[N+](=O)[O-])c1 ZINC001651424508 1079810667 /nfs/dbraw/zinc/81/06/67/1079810667.db2.gz FITVBJBRDFAOMN-UHFFFAOYSA-N 1 1 303.366 2.392 20 5 DEBDMO Cc1cc([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC001654902373 1079981601 /nfs/dbraw/zinc/98/16/01/1079981601.db2.gz HCRPBGMHFVCLGR-AWEZNQCLSA-N 1 1 304.354 2.050 20 5 DEBDMO Cc1cc([C@@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC001654902373 1079981606 /nfs/dbraw/zinc/98/16/06/1079981606.db2.gz HCRPBGMHFVCLGR-AWEZNQCLSA-N 1 1 304.354 2.050 20 5 DEBDMO COC(=O)c1cnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC001655548584 1080004049 /nfs/dbraw/zinc/00/40/49/1080004049.db2.gz QBWULMNYEKQDLN-SNVBAGLBSA-N 1 1 316.317 2.022 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@H](c3ccccc3)CC2)c1 ZINC001660641167 1080373468 /nfs/dbraw/zinc/37/34/68/1080373468.db2.gz FXUWQWHKAWRUOY-INIZCTEOSA-N 1 1 316.361 2.255 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@]23CCOC3)c1 ZINC001660668257 1080376420 /nfs/dbraw/zinc/37/64/20/1080376420.db2.gz XTBDVKKTPCBZCF-JKSUJKDBSA-N 1 1 306.362 2.273 20 5 DEBDMO [NH3+]Cc1cnc2c(ccn2-c2ccc3[nH]cnc3c2[N+](=O)[O-])c1 ZINC001167314596 1082111280 /nfs/dbraw/zinc/11/12/80/1082111280.db2.gz YFXWUBORBXCVMM-UHFFFAOYSA-N 1 1 308.301 2.269 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC001293542280 1138988423 /nfs/dbraw/zinc/98/84/23/1138988423.db2.gz REOPMOBMZCVTND-AWEZNQCLSA-N 1 1 305.378 2.331 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)n1 ZINC001297501999 1139874288 /nfs/dbraw/zinc/87/42/88/1139874288.db2.gz FQJARADWMVDIKL-ZDUSSCGKSA-N 1 1 318.377 2.045 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2CC[NH2+]CC2)c1F ZINC001246072098 1140857597 /nfs/dbraw/zinc/85/75/97/1140857597.db2.gz FCUFZBUOCZQCPU-SNVBAGLBSA-N 1 1 311.357 2.015 20 5 DEBDMO C[N@H+]1C[C@@]23CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001336296073 1142398096 /nfs/dbraw/zinc/39/80/96/1142398096.db2.gz OQLFGJKSVANOMS-CALCHBBNSA-N 1 1 323.437 2.156 20 5 DEBDMO CN(C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001336846902 1142595752 /nfs/dbraw/zinc/59/57/52/1142595752.db2.gz ZTXSCGKPJXBBHD-ARFHVFGLSA-N 1 1 319.405 2.091 20 5 DEBDMO CCc1nn(C)c(N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001338098607 1142828313 /nfs/dbraw/zinc/82/83/13/1142828313.db2.gz QQJIMHPRBACVTD-LBPRGKRZSA-N 1 1 321.425 2.344 20 5 DEBDMO C[C@@H]1C[C@@H](O)CC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479737 1143135965 /nfs/dbraw/zinc/13/59/65/1143135965.db2.gz JZBPKWKGDTXMHX-DYVFJYSZSA-N 1 1 319.405 2.409 20 5 DEBDMO COC(=O)N1CCC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254552460 1143245497 /nfs/dbraw/zinc/24/54/97/1143245497.db2.gz MHXHNRUCAAQMPQ-CYBMUJFWSA-N 1 1 321.377 2.300 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ncc(Cl)cn1)C2 ZINC001254575724 1143257441 /nfs/dbraw/zinc/25/74/41/1143257441.db2.gz SRQFMFOFQQOHBA-LBPRGKRZSA-N 1 1 304.737 2.295 20 5 DEBDMO O=C1CC[C@]2(CCC[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)O1 ZINC001254609616 1143278871 /nfs/dbraw/zinc/27/88/71/1143278871.db2.gz YDRAWPGPXUVOHN-RDJZCZTQSA-N 1 1 316.357 2.234 20 5 DEBDMO CC[N@H+]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C(C)(C)C1 ZINC001254606284 1143280453 /nfs/dbraw/zinc/28/04/53/1143280453.db2.gz GETULTCIYXYHCU-MRXNPFEDSA-N 1 1 303.406 2.478 20 5 DEBDMO CCN1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C(C)(C)C1 ZINC001254606284 1143280462 /nfs/dbraw/zinc/28/04/62/1143280462.db2.gz GETULTCIYXYHCU-MRXNPFEDSA-N 1 1 303.406 2.478 20 5 DEBDMO CCN1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C(C)(C)C1 ZINC001254606284 1143280476 /nfs/dbraw/zinc/28/04/76/1143280476.db2.gz GETULTCIYXYHCU-MRXNPFEDSA-N 1 1 303.406 2.478 20 5 DEBDMO CCOC(=O)c1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)on1 ZINC001308689732 1147483216 /nfs/dbraw/zinc/48/32/16/1147483216.db2.gz ZKULERQYCXKMKL-UHFFFAOYSA-N 1 1 319.317 2.358 20 5 DEBDMO Cc1c[nH+]ccc1OC1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000278501442 214195266 /nfs/dbraw/zinc/19/52/66/214195266.db2.gz QPNLCOXDFUCDBY-UHFFFAOYSA-N 1 1 317.349 2.080 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC2(C1)CCCCC2 ZINC000090550755 185302416 /nfs/dbraw/zinc/30/24/16/185302416.db2.gz RPNJVOPMTBKHPY-UHFFFAOYSA-N 1 1 305.378 2.413 20 5 DEBDMO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272794846 210197300 /nfs/dbraw/zinc/19/73/00/210197300.db2.gz UENORHOOVDEZIV-ZDUSSCGKSA-N 1 1 317.389 2.294 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000107893231 185495467 /nfs/dbraw/zinc/49/54/67/185495467.db2.gz SOFLWLSJWCINKK-LLVKDONJSA-N 1 1 323.418 2.388 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493314789 535010802 /nfs/dbraw/zinc/01/08/02/535010802.db2.gz DTWJFKYEZLHCCR-LJTDUEICSA-N 1 1 305.378 2.453 20 5 DEBDMO O=C(NCC[N@H+]1CC=CCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000279767782 215130255 /nfs/dbraw/zinc/13/02/55/215130255.db2.gz BEEJYGGTRDDVPT-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000279767782 215130260 /nfs/dbraw/zinc/13/02/60/215130260.db2.gz BEEJYGGTRDDVPT-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO CCOCCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272530090 209942733 /nfs/dbraw/zinc/94/27/33/209942733.db2.gz MSXSESNPPFBODU-OAHLLOKOSA-N 1 1 318.377 2.434 20 5 DEBDMO C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000331371082 233207783 /nfs/dbraw/zinc/20/77/83/233207783.db2.gz DOJYQRTUZFHRFS-QWRGUYRKSA-N 1 1 321.352 2.190 20 5 DEBDMO CC[C@]1([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000616865650 362951727 /nfs/dbraw/zinc/95/17/27/362951727.db2.gz ZLMGSHLOXSTNKM-HNNXBMFYSA-N 1 1 318.333 2.304 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000173310192 186175071 /nfs/dbraw/zinc/17/50/71/186175071.db2.gz QFDJUFOIQRADAL-GFCCVEGCSA-N 1 1 306.366 2.400 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000595478419 358460389 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301.346 2.184 20 5 DEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCCO ZINC000281496936 216340429 /nfs/dbraw/zinc/34/04/29/216340429.db2.gz APVALLBNERVKCA-SNVBAGLBSA-N 1 1 306.322 2.020 20 5 DEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCCO ZINC000281496936 216340433 /nfs/dbraw/zinc/34/04/33/216340433.db2.gz APVALLBNERVKCA-SNVBAGLBSA-N 1 1 306.322 2.020 20 5 DEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccsc1[N+](=O)[O-] ZINC000611031287 361515716 /nfs/dbraw/zinc/51/57/16/361515716.db2.gz MJWNBAHYLIBZOY-UHFFFAOYSA-N 1 1 313.423 2.451 20 5 DEBDMO CCOC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611257182 361563791 /nfs/dbraw/zinc/56/37/91/361563791.db2.gz XWKXBAGSTSVFAB-UHFFFAOYSA-N 1 1 322.361 2.367 20 5 DEBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cocn1 ZINC000611473895 361604947 /nfs/dbraw/zinc/60/49/47/361604947.db2.gz BFDQORIVAWOXEZ-JTQLQIEISA-N 1 1 304.306 2.090 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611303626 361576559 /nfs/dbraw/zinc/57/65/59/361576559.db2.gz PMZDRGMBWHYWMR-GHMZBOCLSA-N 1 1 304.350 2.260 20 5 DEBDMO C[C@@H]1[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000611303627 361576732 /nfs/dbraw/zinc/57/67/32/361576732.db2.gz PMZDRGMBWHYWMR-MNOVXSKESA-N 1 1 304.350 2.260 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611824587 361690020 /nfs/dbraw/zinc/69/00/20/361690020.db2.gz QPOZRYZZNVOMJI-LLVKDONJSA-N 1 1 322.365 2.161 20 5 DEBDMO CO[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611984211 361718638 /nfs/dbraw/zinc/71/86/38/361718638.db2.gz YADIXALWAUCPHF-CYBMUJFWSA-N 1 1 322.361 2.367 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000619567048 363828182 /nfs/dbraw/zinc/82/81/82/363828182.db2.gz KWYDYOKILCYSLJ-OAHLLOKOSA-N 1 1 319.405 2.388 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CCOCC2)c(Cl)c1 ZINC000275521952 212392763 /nfs/dbraw/zinc/39/27/63/212392763.db2.gz JHEDWHHQWWZRBY-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)NCC1CC1 ZINC000451549079 243095391 /nfs/dbraw/zinc/09/53/91/243095391.db2.gz OWCUXFWSHGPZAT-OAHLLOKOSA-N 1 1 317.389 2.300 20 5 DEBDMO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)NCC1CC1 ZINC000451549079 243095405 /nfs/dbraw/zinc/09/54/05/243095405.db2.gz OWCUXFWSHGPZAT-OAHLLOKOSA-N 1 1 317.389 2.300 20 5 DEBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093097798 193203033 /nfs/dbraw/zinc/20/30/33/193203033.db2.gz QHYBMPXKPXOVMJ-VIFPVBQESA-N 1 1 300.742 2.489 20 5 DEBDMO C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093433877 193250665 /nfs/dbraw/zinc/25/06/65/193250665.db2.gz ZGCOPOZQLXHIGM-QMMMGPOBSA-N 1 1 315.171 2.116 20 5 DEBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000264980218 204320667 /nfs/dbraw/zinc/32/06/67/204320667.db2.gz PIGQITKNGGWWFZ-UHFFFAOYSA-N 1 1 307.325 2.044 20 5 DEBDMO COC1(C)CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000271711098 209146180 /nfs/dbraw/zinc/14/61/80/209146180.db2.gz IZIXDFJWQQHLKW-LBPRGKRZSA-N 1 1 321.377 2.423 20 5 DEBDMO CC1(C)COCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282790673 217253400 /nfs/dbraw/zinc/25/34/00/217253400.db2.gz WLKQRDCIQKJRPL-UHFFFAOYSA-N 1 1 307.350 2.034 20 5 DEBDMO COC1(C)CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000271673103 209114601 /nfs/dbraw/zinc/11/46/01/209114601.db2.gz BHTSYNKHQGKNMZ-UHFFFAOYSA-N 1 1 322.361 2.462 20 5 DEBDMO COc1ccc(OCCN(C)C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000420996195 229836623 /nfs/dbraw/zinc/83/66/23/229836623.db2.gz FLPXHBWZLOIFDN-CYBMUJFWSA-N 1 1 323.393 2.008 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000268011597 206394971 /nfs/dbraw/zinc/39/49/71/206394971.db2.gz UVZOVMPQVLFKLM-NWDGAFQWSA-N 1 1 303.362 2.258 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458156986 248172052 /nfs/dbraw/zinc/17/20/52/248172052.db2.gz BYXFBKOAWJYLLH-CYBMUJFWSA-N 1 1 305.378 2.365 20 5 DEBDMO Cc1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000458168035 248181806 /nfs/dbraw/zinc/18/18/06/248181806.db2.gz NFPGJTJLHAEGRO-ZDUSSCGKSA-N 1 1 305.378 2.365 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000492322429 249039538 /nfs/dbraw/zinc/03/95/38/249039538.db2.gz SITQNQJSVMQLSZ-WHLNPGIBSA-N 1 1 317.389 2.456 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000284432297 218024961 /nfs/dbraw/zinc/02/49/61/218024961.db2.gz PKZLXPOIJUWTHZ-UHFFFAOYSA-N 1 1 323.393 2.455 20 5 DEBDMO CC(=O)c1cc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000284946099 218245499 /nfs/dbraw/zinc/24/54/99/218245499.db2.gz JOSIUBSEEFSNOR-LRDDRELGSA-N 1 1 303.362 2.328 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCO)CC1 ZINC000533279988 284771325 /nfs/dbraw/zinc/77/13/25/284771325.db2.gz CMBHSOBPPZDPNF-LBPRGKRZSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H](C(=O)N1CCCCC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285204874 218332869 /nfs/dbraw/zinc/33/28/69/218332869.db2.gz DEMYNUKKSQWYSY-AWEZNQCLSA-N 1 1 319.405 2.470 20 5 DEBDMO C[C@@H](C(=O)N1CCCCC1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285204874 218332871 /nfs/dbraw/zinc/33/28/71/218332871.db2.gz DEMYNUKKSQWYSY-AWEZNQCLSA-N 1 1 319.405 2.470 20 5 DEBDMO COC(=O)CC1(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000285240899 218347038 /nfs/dbraw/zinc/34/70/38/218347038.db2.gz GONWMTNMYDURNH-UHFFFAOYSA-N 1 1 306.362 2.412 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000110846983 194363390 /nfs/dbraw/zinc/36/33/90/194363390.db2.gz QXTPICYFJZFUKP-LBPRGKRZSA-N 1 1 322.361 2.188 20 5 DEBDMO CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000058923432 184131815 /nfs/dbraw/zinc/13/18/15/184131815.db2.gz PHZZWRQTOMHHDP-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO CCOC(=O)[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000059372819 184137685 /nfs/dbraw/zinc/13/76/85/184137685.db2.gz BIEUVQJJPUXQNS-CQSZACIVSA-N 1 1 306.362 2.412 20 5 DEBDMO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000269105632 207245062 /nfs/dbraw/zinc/24/50/62/207245062.db2.gz BGOSULOPNHJQIL-RYUDHWBXSA-N 1 1 321.377 2.151 20 5 DEBDMO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000269105632 207245066 /nfs/dbraw/zinc/24/50/66/207245066.db2.gz BGOSULOPNHJQIL-RYUDHWBXSA-N 1 1 321.377 2.151 20 5 DEBDMO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000269174649 207296470 /nfs/dbraw/zinc/29/64/70/207296470.db2.gz JACYZODDORULMW-GFCCVEGCSA-N 1 1 321.377 2.151 20 5 DEBDMO Cc1ccoc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000536638606 284969106 /nfs/dbraw/zinc/96/91/06/284969106.db2.gz CQFVYTGRLKAQRU-UHFFFAOYSA-N 1 1 302.334 2.213 20 5 DEBDMO COC(=O)C1([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000159228982 197338289 /nfs/dbraw/zinc/33/82/89/197338289.db2.gz INOVNOGAQXLURO-UHFFFAOYSA-N 1 1 322.361 2.391 20 5 DEBDMO COC(=O)C1([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000159228982 197338290 /nfs/dbraw/zinc/33/82/90/197338290.db2.gz INOVNOGAQXLURO-UHFFFAOYSA-N 1 1 322.361 2.391 20 5 DEBDMO CCCc1[nH+]ccn1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272922157 210308254 /nfs/dbraw/zinc/30/82/54/210308254.db2.gz IZLMDTUBUYBJAZ-UHFFFAOYSA-N 1 1 323.374 2.218 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000157695425 197209125 /nfs/dbraw/zinc/20/91/25/197209125.db2.gz FLTVAROYGCKKAS-MWLCHTKSSA-N 1 1 311.769 2.461 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155594772 197069912 /nfs/dbraw/zinc/06/99/12/197069912.db2.gz WYBYHXCHPNCGJW-HUUCEWRRSA-N 1 1 317.389 2.460 20 5 DEBDMO Cc1c([C@@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000155005655 197012671 /nfs/dbraw/zinc/01/26/71/197012671.db2.gz ZFVKZEUQHQJFDF-UKRRQHHQSA-N 1 1 320.437 2.190 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000154964335 197008688 /nfs/dbraw/zinc/00/86/88/197008688.db2.gz DTLDUDFTMRIRCS-GDBMZVCRSA-N 1 1 317.389 2.460 20 5 DEBDMO C[C@@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542659196 285241380 /nfs/dbraw/zinc/24/13/80/285241380.db2.gz MJAGSRVQPLKCCB-NWDGAFQWSA-N 1 1 323.368 2.295 20 5 DEBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000120887200 195257630 /nfs/dbraw/zinc/25/76/30/195257630.db2.gz YUAQOHXFNWFHBY-ZIAGYGMSSA-N 1 1 308.382 2.071 20 5 DEBDMO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000120914549 195262544 /nfs/dbraw/zinc/26/25/44/195262544.db2.gz GTABZOVHLHFSSB-JSGCOSHPSA-N 1 1 305.378 2.315 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000289499153 221019839 /nfs/dbraw/zinc/01/98/39/221019839.db2.gz ZAQZMIIVKVVZIM-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000289499153 221019841 /nfs/dbraw/zinc/01/98/41/221019841.db2.gz ZAQZMIIVKVVZIM-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CNc1ccc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000543754383 285316404 /nfs/dbraw/zinc/31/64/04/285316404.db2.gz NHAKXMAJXZOPOR-NSHDSACASA-N 1 1 318.377 2.017 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1COC[C@H]1O ZINC000289842916 221265224 /nfs/dbraw/zinc/26/52/24/221265224.db2.gz URIHZZZJFKEPQD-HUUCEWRRSA-N 1 1 318.329 2.046 20 5 DEBDMO Cc1cccc2[nH+]c(Cn3cc([N+](=O)[O-])cc(Cl)c3=O)cn21 ZINC000353777705 133000766 /nfs/dbraw/zinc/00/07/66/133000766.db2.gz MFEZWTCZVZNHQA-UHFFFAOYSA-N 1 1 318.720 2.414 20 5 DEBDMO C[C@H](NC(=O)N1CC[N@@H+](C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000355425351 133025925 /nfs/dbraw/zinc/02/59/25/133025925.db2.gz SXYLXGXBMZHDMN-OLZOCXBDSA-N 1 1 320.393 2.391 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000357664567 133091991 /nfs/dbraw/zinc/09/19/91/133091991.db2.gz USBNYWJXQNIJSD-UHFFFAOYSA-N 1 1 307.394 2.450 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000357664567 133091992 /nfs/dbraw/zinc/09/19/92/133091992.db2.gz USBNYWJXQNIJSD-UHFFFAOYSA-N 1 1 307.394 2.450 20 5 DEBDMO CCC1CCC([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000362186960 133216092 /nfs/dbraw/zinc/21/60/92/133216092.db2.gz OULYXFYPOLHDEK-SSDMNJCBSA-N 1 1 310.398 2.053 20 5 DEBDMO CN1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000362637801 133242690 /nfs/dbraw/zinc/24/26/90/133242690.db2.gz RITCZZVJHNBJRW-CQSZACIVSA-N 1 1 304.394 2.175 20 5 DEBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000362872738 133256691 /nfs/dbraw/zinc/25/66/91/133256691.db2.gz HRBOSBHRWURWJE-MBNYWOFBSA-N 1 1 305.378 2.278 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000246684992 145110405 /nfs/dbraw/zinc/11/04/05/145110405.db2.gz WDJQDYWNQOXUDA-UKRRQHHQSA-N 1 1 305.378 2.411 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000247452031 145137864 /nfs/dbraw/zinc/13/78/64/145137864.db2.gz ZSANCRJDKRDTHS-HOCLYGCPSA-N 1 1 317.389 2.080 20 5 DEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000309909297 145350250 /nfs/dbraw/zinc/35/02/50/145350250.db2.gz RIDMENCDNMSJRI-AWEZNQCLSA-N 1 1 313.361 2.319 20 5 DEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342292796 145590529 /nfs/dbraw/zinc/59/05/29/145590529.db2.gz KGKYTUFVXIQACU-LBPRGKRZSA-N 1 1 320.393 2.004 20 5 DEBDMO C[C@@H]1C[C@H](CO)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000344148492 145811537 /nfs/dbraw/zinc/81/15/37/145811537.db2.gz RFNYYSWFSSMXDO-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO COc1ccc(OCCN2CC[N@@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000357064896 147033350 /nfs/dbraw/zinc/03/33/50/147033350.db2.gz JTTIXMJVTDEVKV-CHWSQXEVSA-N 1 1 323.393 2.007 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000565473495 292164157 /nfs/dbraw/zinc/16/41/57/292164157.db2.gz XWWHGPYWUDPKCN-GFCCVEGCSA-N 1 1 323.418 2.240 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000565473495 292164159 /nfs/dbraw/zinc/16/41/59/292164159.db2.gz XWWHGPYWUDPKCN-GFCCVEGCSA-N 1 1 323.418 2.240 20 5 DEBDMO Cc1c(CC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000372179396 148178368 /nfs/dbraw/zinc/17/83/68/148178368.db2.gz CIEKJYVQFFUEAQ-LSDHHAIUSA-N 1 1 317.389 2.189 20 5 DEBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C2 ZINC000073992876 401726849 /nfs/dbraw/zinc/72/68/49/401726849.db2.gz AKCKURREHPBRHL-XJAWQDFRSA-N 1 1 315.373 2.303 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000112309249 401737947 /nfs/dbraw/zinc/73/79/47/401737947.db2.gz NBLOYNRGVOAMFR-JXMROGBWSA-N 1 1 305.378 2.456 20 5 DEBDMO COCC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000112355546 401741000 /nfs/dbraw/zinc/74/10/00/401741000.db2.gz OVWDWFWCOYKORC-UHFFFAOYSA-N 1 1 322.361 2.320 20 5 DEBDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000126484131 401696791 /nfs/dbraw/zinc/69/67/91/401696791.db2.gz FDBUSCJNQYQSAL-SNVBAGLBSA-N 1 1 311.407 2.267 20 5 DEBDMO COCC[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116271391 401846719 /nfs/dbraw/zinc/84/67/19/401846719.db2.gz OBRBONCUTJUHCP-UHFFFAOYSA-N 1 1 313.785 2.012 20 5 DEBDMO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116279971 401847823 /nfs/dbraw/zinc/84/78/23/401847823.db2.gz MMUTYXXZDCCNTP-NSHDSACASA-N 1 1 311.769 2.206 20 5 DEBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116279971 401847824 /nfs/dbraw/zinc/84/78/24/401847824.db2.gz MMUTYXXZDCCNTP-NSHDSACASA-N 1 1 311.769 2.206 20 5 DEBDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000029725698 401858248 /nfs/dbraw/zinc/85/82/48/401858248.db2.gz RYIHFZFOIIILOU-JTQLQIEISA-N 1 1 303.362 2.457 20 5 DEBDMO C[N@@H+](CCC1CC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000135264314 401932602 /nfs/dbraw/zinc/93/26/02/401932602.db2.gz NUWISLSGEHCRSC-UHFFFAOYSA-N 1 1 303.362 2.216 20 5 DEBDMO C[C@@H]1CCCN1C(=O)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606131 401934309 /nfs/dbraw/zinc/93/43/09/401934309.db2.gz FOEIDAQFHGRRCS-CYBMUJFWSA-N 1 1 317.389 2.354 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000119527241 401956666 /nfs/dbraw/zinc/95/66/66/401956666.db2.gz RGDAVASQHDWEIN-UHFFFAOYSA-N 1 1 308.382 2.217 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000119527241 401956668 /nfs/dbraw/zinc/95/66/68/401956668.db2.gz RGDAVASQHDWEIN-UHFFFAOYSA-N 1 1 308.382 2.217 20 5 DEBDMO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000136167333 401961572 /nfs/dbraw/zinc/96/15/72/401961572.db2.gz XJRNTDNQVZSECV-BXUZGUMPSA-N 1 1 322.361 2.197 20 5 DEBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000136167333 401961574 /nfs/dbraw/zinc/96/15/74/401961574.db2.gz XJRNTDNQVZSECV-BXUZGUMPSA-N 1 1 322.361 2.197 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089932058 401974591 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DEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2ccccc2o1 ZINC000153774590 402169820 /nfs/dbraw/zinc/16/98/20/402169820.db2.gz VUCJYESDBXGECB-UHFFFAOYSA-N 1 1 301.306 2.065 20 5 DEBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)CN1 ZINC000125555830 402238842 /nfs/dbraw/zinc/23/88/42/402238842.db2.gz TWAYUQQAAOKZRD-IUODEOHRSA-N 1 1 321.352 2.225 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000107888703 402242647 /nfs/dbraw/zinc/24/26/47/402242647.db2.gz QQILZERGNPXJFX-SBDDDAINSA-N 1 1 303.362 2.066 20 5 DEBDMO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@@H+](C)C1 ZINC000070231894 402259173 /nfs/dbraw/zinc/25/91/73/402259173.db2.gz SRGHOPBSEBHTTM-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000184702951 402293242 /nfs/dbraw/zinc/29/32/42/402293242.db2.gz JYQMRAJTMHXJBL-CABCVRRESA-N 1 1 319.405 2.231 20 5 DEBDMO COCC1=CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000185822177 402380117 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1 1 317.389 2.407 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000173350843 402693859 /nfs/dbraw/zinc/69/38/59/402693859.db2.gz NENRLNIZDRHCDE-CYBMUJFWSA-N 1 1 321.377 2.200 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255693783 402694613 /nfs/dbraw/zinc/69/46/13/402694613.db2.gz YPTQEUUTQKLJPC-QWGSZXSUSA-N 1 1 317.389 2.407 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCc3cccnc3)C2)nc1 ZINC000173466806 402699028 /nfs/dbraw/zinc/69/90/28/402699028.db2.gz MIGPZEHRHBTVHA-AWEZNQCLSA-N 1 1 313.361 2.114 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255913954 402699211 /nfs/dbraw/zinc/69/92/11/402699211.db2.gz LDFDZYCQKMGWHQ-DQOKEGCPSA-N 1 1 317.389 2.407 20 5 DEBDMO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193999923 402781446 /nfs/dbraw/zinc/78/14/46/402781446.db2.gz DNAKLHFAYRFYSP-LLVKDONJSA-N 1 1 323.305 2.031 20 5 DEBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193999923 402781448 /nfs/dbraw/zinc/78/14/48/402781448.db2.gz DNAKLHFAYRFYSP-LLVKDONJSA-N 1 1 323.305 2.031 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000174813285 402758385 /nfs/dbraw/zinc/75/83/85/402758385.db2.gz GTZQFTKTCOGMED-UHFFFAOYSA-N 1 1 314.345 2.286 20 5 DEBDMO CC[N@@H+](CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000183743917 402794137 /nfs/dbraw/zinc/79/41/37/402794137.db2.gz KPNNJUXWQDNVMD-UHFFFAOYSA-N 1 1 311.769 2.349 20 5 DEBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+]1CCC[C@@H](C)C1 ZINC000175989732 402846406 /nfs/dbraw/zinc/84/64/06/402846406.db2.gz NOHGMSHGURSQBO-NEPJUHHUSA-N 1 1 320.393 2.027 20 5 DEBDMO Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000278760856 402870513 /nfs/dbraw/zinc/87/05/13/402870513.db2.gz NQAPLIQWBMBUIZ-BETUJISGSA-N 1 1 312.373 2.449 20 5 DEBDMO Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000278760856 402870515 /nfs/dbraw/zinc/87/05/15/402870515.db2.gz NQAPLIQWBMBUIZ-BETUJISGSA-N 1 1 312.373 2.449 20 5 DEBDMO Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000278760856 402870516 /nfs/dbraw/zinc/87/05/16/402870516.db2.gz NQAPLIQWBMBUIZ-BETUJISGSA-N 1 1 312.373 2.449 20 5 DEBDMO CC[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000271523278 402879139 /nfs/dbraw/zinc/87/91/39/402879139.db2.gz OQZXJPOPRQGGTG-LSDHHAIUSA-N 1 1 304.350 2.103 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1nc2sccn2c1[N+](=O)[O-] ZINC000265170623 402897833 /nfs/dbraw/zinc/89/78/33/402897833.db2.gz BFIABOBNXQVWMR-JTQLQIEISA-N 1 1 309.395 2.082 20 5 DEBDMO C[C@H](O)CCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000279333412 402931878 /nfs/dbraw/zinc/93/18/78/402931878.db2.gz DDLKXYDABMYUCU-SWLSCSKDSA-N 1 1 318.377 2.168 20 5 DEBDMO CO[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000279363213 402934918 /nfs/dbraw/zinc/93/49/18/402934918.db2.gz RDPUWXIJGIKGNK-BLLLJJGKSA-N 1 1 321.377 2.423 20 5 DEBDMO CO[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000279363213 402934920 /nfs/dbraw/zinc/93/49/20/402934920.db2.gz RDPUWXIJGIKGNK-BLLLJJGKSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000266760017 402989167 /nfs/dbraw/zinc/98/91/67/402989167.db2.gz SWDCMFBCHNMHIC-CABCVRRESA-N 1 1 319.405 2.310 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000266883398 402996453 /nfs/dbraw/zinc/99/64/53/402996453.db2.gz CPUHPHVVFGNISM-UHFFFAOYSA-N 1 1 305.378 2.325 20 5 DEBDMO CC[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000266544508 402972823 /nfs/dbraw/zinc/97/28/23/402972823.db2.gz RMIIGALDHHYYEV-SOUVJXGZSA-N 1 1 321.421 2.433 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268155178 403055346 /nfs/dbraw/zinc/05/53/46/403055346.db2.gz NIAMLBIORPQLQG-ZANVPECISA-N 1 1 306.322 2.398 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000274593270 403070179 /nfs/dbraw/zinc/07/01/79/403070179.db2.gz RGLUCDWJTKEUER-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281771737 403090038 /nfs/dbraw/zinc/09/00/38/403090038.db2.gz ZQVNSQKSFBLMBI-UHFFFAOYSA-N 1 1 306.410 2.341 20 5 DEBDMO COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275772554 403122399 /nfs/dbraw/zinc/12/23/99/403122399.db2.gz YXPUHVZCIBSQCM-GXTWGEPZSA-N 1 1 307.394 2.375 20 5 DEBDMO COc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275772554 403122402 /nfs/dbraw/zinc/12/24/02/403122402.db2.gz YXPUHVZCIBSQCM-GXTWGEPZSA-N 1 1 307.394 2.375 20 5 DEBDMO COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275772554 403122405 /nfs/dbraw/zinc/12/24/05/403122405.db2.gz YXPUHVZCIBSQCM-GXTWGEPZSA-N 1 1 307.394 2.375 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000282109452 403123720 /nfs/dbraw/zinc/12/37/20/403123720.db2.gz ZWMYHAODNGTWID-UHFFFAOYSA-N 1 1 322.365 2.163 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1F ZINC000276322527 403163699 /nfs/dbraw/zinc/16/36/99/403163699.db2.gz PBKHXFOOBVCFKC-ZIAGYGMSSA-N 1 1 312.366 2.440 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1F ZINC000276322527 403163700 /nfs/dbraw/zinc/16/37/00/403163700.db2.gz PBKHXFOOBVCFKC-ZIAGYGMSSA-N 1 1 312.366 2.440 20 5 DEBDMO CCCc1[nH+]ccn1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000269357896 403133568 /nfs/dbraw/zinc/13/35/68/403133568.db2.gz LTHOWZUQBHRWDV-UHFFFAOYSA-N 1 1 314.345 2.333 20 5 DEBDMO CC(C)COC[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282388081 403149089 /nfs/dbraw/zinc/14/90/89/403149089.db2.gz GOJFDMOZVMXSDZ-INIZCTEOSA-N 1 1 310.394 2.103 20 5 DEBDMO CN(C)c1[nH+]cc(CNc2c(F)cc([N+](=O)[O-])cc2F)n1C ZINC000269626269 403151516 /nfs/dbraw/zinc/15/15/16/403151516.db2.gz JQWSXTQAGIXFAV-UHFFFAOYSA-N 1 1 311.292 2.285 20 5 DEBDMO COCC[N@H+]1CC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276597875 403190289 /nfs/dbraw/zinc/19/02/89/403190289.db2.gz KDOVUODQAPJYTL-ZDUSSCGKSA-N 1 1 316.361 2.276 20 5 DEBDMO CSc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000330626085 403291903 /nfs/dbraw/zinc/29/19/03/403291903.db2.gz IMNOEVXCZWJPCO-MNOVXSKESA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000330626085 403291906 /nfs/dbraw/zinc/29/19/06/403291906.db2.gz IMNOEVXCZWJPCO-MNOVXSKESA-N 1 1 323.418 2.481 20 5 DEBDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCC[N@H+]1C ZINC000345329994 403288634 /nfs/dbraw/zinc/28/86/34/403288634.db2.gz WITROBAGOCBCDT-PWSUYJOCSA-N 1 1 316.361 2.289 20 5 DEBDMO C[C@H]1[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000342834932 403366318 /nfs/dbraw/zinc/36/63/18/403366318.db2.gz LYSSWQABAGXUIL-WPRPVWTQSA-N 1 1 307.379 2.494 20 5 DEBDMO COc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000331146181 403339126 /nfs/dbraw/zinc/33/91/26/403339126.db2.gz NOHHGPFUUKOWEU-CQSZACIVSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000331304814 403374367 /nfs/dbraw/zinc/37/43/67/403374367.db2.gz YLVCSYJLWWVPTP-SUNKGSAMSA-N 1 1 321.377 2.459 20 5 DEBDMO CNC(=O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293250919 403425891 /nfs/dbraw/zinc/42/58/91/403425891.db2.gz WYKYRRCOLPGESB-UHFFFAOYSA-N 1 1 319.283 2.182 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1C ZINC000332125460 403491630 /nfs/dbraw/zinc/49/16/30/403491630.db2.gz CYEMOKDYUZKFSP-ZYHUDNBSSA-N 1 1 316.361 2.289 20 5 DEBDMO NC(=O)c1cccc(NC[C@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000343089079 403458591 /nfs/dbraw/zinc/45/85/91/403458591.db2.gz CJPRJVYSJQDEFL-GFCCVEGCSA-N 1 1 318.377 2.123 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000332036420 403466812 /nfs/dbraw/zinc/46/68/12/403466812.db2.gz WWTJMSVTYIPRLY-CZUORRHYSA-N 1 1 317.389 2.378 20 5 DEBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332040729 403467743 /nfs/dbraw/zinc/46/77/43/403467743.db2.gz KNXPLGWOPBPVNI-KGLIPLIRSA-N 1 1 322.340 2.482 20 5 DEBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293497470 403488344 /nfs/dbraw/zinc/48/83/44/403488344.db2.gz UBSKDAQBQJMGCX-PHIMTYICSA-N 1 1 308.338 2.027 20 5 DEBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000332241804 403527137 /nfs/dbraw/zinc/52/71/37/403527137.db2.gz ANSJTNYRUNCOOW-ZDUSSCGKSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000332241804 403527140 /nfs/dbraw/zinc/52/71/40/403527140.db2.gz ANSJTNYRUNCOOW-ZDUSSCGKSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000332241804 403527142 /nfs/dbraw/zinc/52/71/42/403527142.db2.gz ANSJTNYRUNCOOW-ZDUSSCGKSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1nc([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000332241804 403527144 /nfs/dbraw/zinc/52/71/44/403527144.db2.gz ANSJTNYRUNCOOW-ZDUSSCGKSA-N 1 1 301.350 2.401 20 5 DEBDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000332241804 403527145 /nfs/dbraw/zinc/52/71/45/403527145.db2.gz ANSJTNYRUNCOOW-ZDUSSCGKSA-N 1 1 301.350 2.401 20 5 DEBDMO C[N@H+]1CCN(CCNc2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000286447777 403529168 /nfs/dbraw/zinc/52/91/68/403529168.db2.gz MWHYFUUFXGDGHA-UHFFFAOYSA-N 1 1 310.373 2.172 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000332186832 403508671 /nfs/dbraw/zinc/50/86/71/403508671.db2.gz YDODDDVDXPXDPR-AWEZNQCLSA-N 1 1 300.362 2.318 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000332186834 403508839 /nfs/dbraw/zinc/50/88/39/403508839.db2.gz YDODDDVDXPXDPR-CQSZACIVSA-N 1 1 300.362 2.318 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(F)c1 ZINC000332213278 403516247 /nfs/dbraw/zinc/51/62/47/403516247.db2.gz JNYHLKLMARZXDK-KGLIPLIRSA-N 1 1 312.366 2.440 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c(F)c1 ZINC000332213278 403516254 /nfs/dbraw/zinc/51/62/54/403516254.db2.gz JNYHLKLMARZXDK-KGLIPLIRSA-N 1 1 312.366 2.440 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345986440 403560701 /nfs/dbraw/zinc/56/07/01/403560701.db2.gz POZANUICBCHCMU-QWHCGFSZSA-N 1 1 305.378 2.078 20 5 DEBDMO Cn1nncc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000287504457 403611787 /nfs/dbraw/zinc/61/17/87/403611787.db2.gz YTKKONOKBSHXHI-AWEZNQCLSA-N 1 1 301.350 2.236 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301951103 403705461 /nfs/dbraw/zinc/70/54/61/403705461.db2.gz ZYRAOOISTRCWIW-GFCCVEGCSA-N 1 1 318.381 2.314 20 5 DEBDMO CC[N@H+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288174392 403740012 /nfs/dbraw/zinc/74/00/12/403740012.db2.gz APYFECKMLFBSDQ-MMQHEFTJSA-N 1 1 303.362 2.161 20 5 DEBDMO COc1cc(C[N@@H+](C)[C@H](C)C(C)(C)O)c([N+](=O)[O-])cc1F ZINC000295238220 403807203 /nfs/dbraw/zinc/80/72/03/403807203.db2.gz XVDFSFORFDQPNX-SECBINFHSA-N 1 1 300.330 2.334 20 5 DEBDMO COc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000341181189 403809927 /nfs/dbraw/zinc/80/99/27/403809927.db2.gz HHOQYDFSKVALIL-UHFFFAOYSA-N 1 1 307.394 2.377 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351650346 403830444 /nfs/dbraw/zinc/83/04/44/403830444.db2.gz MKABZHXZPPSUSE-JTQLQIEISA-N 1 1 310.329 2.197 20 5 DEBDMO CCC[C@]1(C)CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304295089 403777414 /nfs/dbraw/zinc/77/74/14/403777414.db2.gz FHTIAWRHHJIHOL-HUUCEWRRSA-N 1 1 310.398 2.054 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C)CC(C)(C)CO)cccc1[N+](=O)[O-] ZINC000295166027 403781009 /nfs/dbraw/zinc/78/10/09/403781009.db2.gz FXSVPNXVARSKTL-UHFFFAOYSA-N 1 1 323.393 2.182 20 5 DEBDMO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000295224872 403803259 /nfs/dbraw/zinc/80/32/59/403803259.db2.gz AZAURSVJZKNESB-ZDUSSCGKSA-N 1 1 317.389 2.080 20 5 DEBDMO CC[C@]1(C)COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411428426 403855828 /nfs/dbraw/zinc/85/58/28/403855828.db2.gz PATKVMJWVDUHNV-MRXNPFEDSA-N 1 1 321.377 2.424 20 5 DEBDMO COc1ccc(OCC[N@H+]2CC[C@@H](CO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000344177809 403959959 /nfs/dbraw/zinc/95/99/59/403959959.db2.gz SJAPLTVARUPVBW-CHWSQXEVSA-N 1 1 324.377 2.075 20 5 DEBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000368959353 403915783 /nfs/dbraw/zinc/91/57/83/403915783.db2.gz UVWSJDRKRRXFPO-MMWLHBDFSA-N 1 1 315.373 2.194 20 5 DEBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000368959353 403915786 /nfs/dbraw/zinc/91/57/86/403915786.db2.gz UVWSJDRKRRXFPO-MMWLHBDFSA-N 1 1 315.373 2.194 20 5 DEBDMO CCOC1CC(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000351877463 403980505 /nfs/dbraw/zinc/98/05/05/403980505.db2.gz PNMMAMZVVHCGQK-OWYJLGKBSA-N 1 1 320.393 2.291 20 5 DEBDMO Cn1ncc2c1CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000411843428 403990125 /nfs/dbraw/zinc/99/01/25/403990125.db2.gz KQRKOZASCVLLTR-UHFFFAOYSA-N 1 1 316.361 2.156 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000295692036 404005985 /nfs/dbraw/zinc/00/59/85/404005985.db2.gz DKLFKJYBMCKYPH-AWEZNQCLSA-N 1 1 301.350 2.066 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000352015260 404079585 /nfs/dbraw/zinc/07/95/85/404079585.db2.gz PVMRLZDIZJNPOB-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000352015260 404079589 /nfs/dbraw/zinc/07/95/89/404079589.db2.gz PVMRLZDIZJNPOB-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO CC1(C)C[C@@H](O)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295978765 404036849 /nfs/dbraw/zinc/03/68/49/404036849.db2.gz JCKPBYJTXQBSOG-GJZGRUSLSA-N 1 1 308.378 2.111 20 5 DEBDMO CN1CCC([N@H+]2CC[C@H](Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000363031742 404049932 /nfs/dbraw/zinc/04/99/32/404049932.db2.gz QEIKYSBSVKHGOZ-ZDUSSCGKSA-N 1 1 304.394 2.175 20 5 DEBDMO C[NH+]1CCC(N2CC[C@H](Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000363031742 404049934 /nfs/dbraw/zinc/04/99/34/404049934.db2.gz QEIKYSBSVKHGOZ-ZDUSSCGKSA-N 1 1 304.394 2.175 20 5 DEBDMO CCCC(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000363050559 404055823 /nfs/dbraw/zinc/05/58/23/404055823.db2.gz HSVIUZJDUNLTRU-UHFFFAOYSA-N 1 1 305.378 2.429 20 5 DEBDMO CCCC(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000363050559 404055835 /nfs/dbraw/zinc/05/58/35/404055835.db2.gz HSVIUZJDUNLTRU-UHFFFAOYSA-N 1 1 305.378 2.429 20 5 DEBDMO COC[C@H]1C[C@@H](OC)C[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344342737 404069726 /nfs/dbraw/zinc/06/97/26/404069726.db2.gz AJNPTICOXYZZSS-GHMZBOCLSA-N 1 1 314.769 2.484 20 5 DEBDMO COC[C@H]1C[C@@H](OC)C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000344342737 404069733 /nfs/dbraw/zinc/06/97/33/404069733.db2.gz AJNPTICOXYZZSS-GHMZBOCLSA-N 1 1 314.769 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311.357 2.121 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000351604097 404666719 /nfs/dbraw/zinc/66/67/19/404666719.db2.gz DCTVFHADJHFEBM-UWVGGRQHSA-N 1 1 310.329 2.338 20 5 DEBDMO COc1c(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000356812765 404698916 /nfs/dbraw/zinc/69/89/16/404698916.db2.gz LOZQDHZKEPXMOU-GFCCVEGCSA-N 1 1 321.377 2.206 20 5 DEBDMO C[NH2+]Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000414640184 404699315 /nfs/dbraw/zinc/69/93/15/404699315.db2.gz HLTURSNEFNCRHX-UHFFFAOYSA-N 1 1 302.212 2.383 20 5 DEBDMO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000415134302 404815911 /nfs/dbraw/zinc/81/59/11/404815911.db2.gz VXKOXPNRFOCGEW-IRXDYDNUSA-N 1 1 319.405 2.313 20 5 DEBDMO CC[C@H](O)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353391258 404820480 /nfs/dbraw/zinc/82/04/80/404820480.db2.gz BPZTWOQUIHSXGK-LSDHHAIUSA-N 1 1 318.377 2.168 20 5 DEBDMO CO[C@H](C)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 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ZINC000895246657 637847860 /nfs/dbraw/zinc/84/78/60/637847860.db2.gz OTVDEQUJTIKRRC-DOMZBBRYSA-N 1 1 322.409 2.040 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000839440407 637878351 /nfs/dbraw/zinc/87/83/51/637878351.db2.gz RRYPOVAVDKSMQR-GFCCVEGCSA-N 1 1 309.341 2.289 20 5 DEBDMO CN(C)c1cc[nH+]c(CNc2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC000895471131 638037024 /nfs/dbraw/zinc/03/70/24/638037024.db2.gz JOVAFQMMKXRWNQ-UHFFFAOYSA-N 1 1 320.324 2.299 20 5 DEBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@H+]1C ZINC000895739530 638171091 /nfs/dbraw/zinc/17/10/91/638171091.db2.gz GHSCFJSFSJIXRB-JQWIXIFHSA-N 1 1 320.349 2.056 20 5 DEBDMO CCOC(=O)c1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895739057 638171109 /nfs/dbraw/zinc/17/11/09/638171109.db2.gz ASHCZVOYCWDXRV-ZWNOBZJWSA-N 1 1 307.350 2.276 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2C[C@@H](OC)CC[C@H]2C)c1[N+](=O)[O-] ZINC000896076165 638342122 /nfs/dbraw/zinc/34/21/22/638342122.db2.gz NNGNJUGANWBZAF-PWSUYJOCSA-N 1 1 310.350 2.308 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](OC)CC[C@H]2C)c1[N+](=O)[O-] ZINC000896076165 638342126 /nfs/dbraw/zinc/34/21/26/638342126.db2.gz NNGNJUGANWBZAF-PWSUYJOCSA-N 1 1 310.350 2.308 20 5 DEBDMO C[N@@H+](C[C@H]1CCOC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000749968169 638699753 /nfs/dbraw/zinc/69/97/53/638699753.db2.gz VPFZXFBTORGZHJ-CYBMUJFWSA-N 1 1 316.361 2.384 20 5 DEBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)C2CC2)CC1 ZINC000985190761 639140413 /nfs/dbraw/zinc/14/04/13/639140413.db2.gz LAOZJHLGAMQQBE-UHFFFAOYSA-N 1 1 317.389 2.428 20 5 DEBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c2ccc([N+](=O)[O-])cc12 ZINC000752812866 639223225 /nfs/dbraw/zinc/22/32/25/639223225.db2.gz OGNDLOKCKCVGDG-DGCLKSJQSA-N 1 1 318.377 2.446 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000753446629 639296417 /nfs/dbraw/zinc/29/64/17/639296417.db2.gz BPJGWONJJIZDSP-KBPBESRZSA-N 1 1 321.352 2.399 20 5 DEBDMO Cc1[nH+]ccn1CCCOC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000763109708 640505812 /nfs/dbraw/zinc/50/58/12/640505812.db2.gz RHTPMQFNDXOKRP-UHFFFAOYSA-N 1 1 303.318 2.276 20 5 DEBDMO COc1ccc(C(=O)OCCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000763116126 640507125 /nfs/dbraw/zinc/50/71/25/640507125.db2.gz OODIRUUKWCQYOH-UHFFFAOYSA-N 1 1 319.317 2.355 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1F ZINC000764537197 640652312 /nfs/dbraw/zinc/65/23/12/640652312.db2.gz LAPHHPQAIRCMDL-AWEZNQCLSA-N 1 1 323.368 2.455 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1F ZINC000764537197 640652314 /nfs/dbraw/zinc/65/23/14/640652314.db2.gz LAPHHPQAIRCMDL-AWEZNQCLSA-N 1 1 323.368 2.455 20 5 DEBDMO CCNc1ccc(C(=O)OCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000771864207 641562477 /nfs/dbraw/zinc/56/24/77/641562477.db2.gz KOJOMMOJCUOUQH-UHFFFAOYSA-N 1 1 318.333 2.389 20 5 DEBDMO CC(C)[N@@H+](C)CC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000898462226 641669281 /nfs/dbraw/zinc/66/92/81/641669281.db2.gz NQCGLAXEBAGQPD-UHFFFAOYSA-N 1 1 302.334 2.422 20 5 DEBDMO C[N@@H+](CCc1nccs1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593318 642190437 /nfs/dbraw/zinc/19/04/37/642190437.db2.gz GWIQOFMRVONWRD-ZDUSSCGKSA-N 1 1 307.375 2.259 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776597441 642191155 /nfs/dbraw/zinc/19/11/55/642191155.db2.gz MBWVOUDOUNSEAO-DVOMOZLQSA-N 1 1 307.394 2.043 20 5 DEBDMO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000778139535 642343115 /nfs/dbraw/zinc/34/31/15/642343115.db2.gz DJBOGSBGRUQQHF-QMMMGPOBSA-N 1 1 323.740 2.261 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778274625 642364155 /nfs/dbraw/zinc/36/41/55/642364155.db2.gz BNDPDVJTSPBPCJ-UHFFFAOYSA-N 1 1 315.320 2.143 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1C ZINC000901288613 642622963 /nfs/dbraw/zinc/62/29/63/642622963.db2.gz WKRUWTGVVKMNJU-VXGBXAGGSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1C ZINC000901288613 642622964 /nfs/dbraw/zinc/62/29/64/642622964.db2.gz WKRUWTGVVKMNJU-VXGBXAGGSA-N 1 1 305.378 2.376 20 5 DEBDMO O=[N+]([O-])c1ccc2nc(NCC[N@H+]3CCCOCC3)sc2c1 ZINC000782416656 642879822 /nfs/dbraw/zinc/87/98/22/642879822.db2.gz IBJQKTUYFSTPDQ-UHFFFAOYSA-N 1 1 322.390 2.339 20 5 DEBDMO COC(=O)[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000347058480 643000717 /nfs/dbraw/zinc/00/07/17/643000717.db2.gz WOXFLHFQBLCGGO-WFASDCNBSA-N 1 1 322.361 2.247 20 5 DEBDMO Cc1nn(CN2CC[N@H+](C)C[C@@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000902544100 643061623 /nfs/dbraw/zinc/06/16/23/643061623.db2.gz WZBDLFHFXIAZTR-AWEZNQCLSA-N 1 1 309.414 2.028 20 5 DEBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000902805973 643143881 /nfs/dbraw/zinc/14/38/81/643143881.db2.gz GMMYIRVUAKYOSH-IYBDPMFKSA-N 1 1 318.377 2.400 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000842835425 650835680 /nfs/dbraw/zinc/83/56/80/650835680.db2.gz HBRPDQQTXDRBJZ-LBPRGKRZSA-N 1 1 309.366 2.211 20 5 DEBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@H+]1CCCC[C@H]1C ZINC000786772549 643406860 /nfs/dbraw/zinc/40/68/60/643406860.db2.gz KBDHPRYVIQOQMK-VXGBXAGGSA-N 1 1 320.393 2.170 20 5 DEBDMO Cc1c(Cc2noc([C@]34C[C@H]3CCC[NH2+]4)n2)cccc1[N+](=O)[O-] ZINC000904626336 643708634 /nfs/dbraw/zinc/70/86/34/643708634.db2.gz KSRHKTDQAHDGAG-WBMJQRKESA-N 1 1 314.345 2.476 20 5 DEBDMO CC1(C)[C@@H]2C[N@@H+](Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC000794630925 644448159 /nfs/dbraw/zinc/44/81/59/644448159.db2.gz BAAGARWPFVUZMX-AOOOYVTPSA-N 1 1 303.318 2.048 20 5 DEBDMO CC1(C)[C@@H]2C[N@H+](Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC000794630925 644448163 /nfs/dbraw/zinc/44/81/63/644448163.db2.gz BAAGARWPFVUZMX-AOOOYVTPSA-N 1 1 303.318 2.048 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000911499325 645724743 /nfs/dbraw/zinc/72/47/43/645724743.db2.gz CHXWXRROXCYATJ-ZDUSSCGKSA-N 1 1 306.366 2.448 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000911499325 645724746 /nfs/dbraw/zinc/72/47/46/645724746.db2.gz CHXWXRROXCYATJ-ZDUSSCGKSA-N 1 1 306.366 2.448 20 5 DEBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000840129319 646034964 /nfs/dbraw/zinc/03/49/64/646034964.db2.gz ACSUWVAVTLDIDM-OLZOCXBDSA-N 1 1 306.366 2.030 20 5 DEBDMO CCC[C@]1(CO)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000808796983 646143799 /nfs/dbraw/zinc/14/37/99/646143799.db2.gz XETKIWMCRMSAMZ-HOTGVXAUSA-N 1 1 308.378 2.113 20 5 DEBDMO COc1c(C(=O)O[C@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000810844752 646434378 /nfs/dbraw/zinc/43/43/78/646434378.db2.gz QTMXPDHFCMGBFS-NEPJUHHUSA-N 1 1 320.345 2.387 20 5 DEBDMO CC[C@@H](C)C[N@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000171890560 646716903 /nfs/dbraw/zinc/71/69/03/646716903.db2.gz MDTUFAHJGSYXMF-SNVBAGLBSA-N 1 1 305.334 2.126 20 5 DEBDMO CC[C@@H](C)C[N@@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000171890560 646716909 /nfs/dbraw/zinc/71/69/09/646716909.db2.gz MDTUFAHJGSYXMF-SNVBAGLBSA-N 1 1 305.334 2.126 20 5 DEBDMO CCOCCC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172934 646742910 /nfs/dbraw/zinc/74/29/10/646742910.db2.gz UCJIDRSFUXDCHS-HNNXBMFYSA-N 1 1 322.361 2.139 20 5 DEBDMO CCOCCC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172934 646742912 /nfs/dbraw/zinc/74/29/12/646742912.db2.gz UCJIDRSFUXDCHS-HNNXBMFYSA-N 1 1 322.361 2.139 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000815313148 647000726 /nfs/dbraw/zinc/00/07/26/647000726.db2.gz WPVBCJAUSQJGBE-HZPDHXFCSA-N 1 1 308.378 2.375 20 5 DEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000816949739 647203712 /nfs/dbraw/zinc/20/37/12/647203712.db2.gz CSECMTDIXMDUDJ-RNCFNFMXSA-N 1 1 309.753 2.024 20 5 DEBDMO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CCC[N@H+]1C ZINC000817290145 647259960 /nfs/dbraw/zinc/25/99/60/647259960.db2.gz CEGWGGSFBBARPH-ZDUSSCGKSA-N 1 1 308.338 2.029 20 5 DEBDMO C[C@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000818968515 647552417 /nfs/dbraw/zinc/55/24/17/647552417.db2.gz CSQOTGLEWQVDSO-RHSMWYFYSA-N 1 1 321.421 2.340 20 5 DEBDMO CC[C@@H](C[NH+]1CCCC1)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819079428 647579588 /nfs/dbraw/zinc/57/95/88/647579588.db2.gz UUFVRUIIFQSBHO-GOEBONIOSA-N 1 1 307.394 2.092 20 5 DEBDMO C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000819101560 647584104 /nfs/dbraw/zinc/58/41/04/647584104.db2.gz BDATZWFAHLTXTL-IUODEOHRSA-N 1 1 309.410 2.194 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000153679939 647601626 /nfs/dbraw/zinc/60/16/26/647601626.db2.gz FQTBDOHZAMCZDJ-INIZCTEOSA-N 1 1 317.393 2.174 20 5 DEBDMO C[C@H](CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000819227171 647612519 /nfs/dbraw/zinc/61/25/19/647612519.db2.gz BGJLQEZTJXUSAG-PBHICJAKSA-N 1 1 321.421 2.482 20 5 DEBDMO Cc1nn(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000819901512 647737325 /nfs/dbraw/zinc/73/73/25/647737325.db2.gz BTQPOFGSFFOBOW-OAHLLOKOSA-N 1 1 320.393 2.338 20 5 DEBDMO Cc1nn(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000819901512 647737332 /nfs/dbraw/zinc/73/73/32/647737332.db2.gz BTQPOFGSFFOBOW-OAHLLOKOSA-N 1 1 320.393 2.338 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC(C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000820591890 647876352 /nfs/dbraw/zinc/87/63/52/647876352.db2.gz RFKXNQAQQNNVGL-UHFFFAOYSA-N 1 1 311.769 2.017 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822533403 648227675 /nfs/dbraw/zinc/22/76/75/648227675.db2.gz HPDYEJOKCUUXKL-OKILXGFUSA-N 1 1 313.442 2.306 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000920604951 648236813 /nfs/dbraw/zinc/23/68/13/648236813.db2.gz SQXHSKHTWOZSCG-ZDUSSCGKSA-N 1 1 321.377 2.424 20 5 DEBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000921336871 648292277 /nfs/dbraw/zinc/29/22/77/648292277.db2.gz YXXMVXWOPTZWSF-OUCADQQQSA-N 1 1 320.393 2.356 20 5 DEBDMO C[C@H]1CC[NH2+][C@@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC000822862420 648305944 /nfs/dbraw/zinc/30/59/44/648305944.db2.gz ISEQZRBGHJQNKK-JOYOIKCWSA-N 1 1 303.322 2.024 20 5 DEBDMO C[C@@H]1[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000925335380 648319586 /nfs/dbraw/zinc/31/95/86/648319586.db2.gz MVUQQYXBDYUCKY-YPMHNXCESA-N 1 1 320.393 2.222 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000823973269 648506518 /nfs/dbraw/zinc/50/65/18/648506518.db2.gz GETSKFRWZCEMDM-MNOVXSKESA-N 1 1 321.381 2.123 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000824681247 648634534 /nfs/dbraw/zinc/63/45/34/648634534.db2.gz JILOJCNYPVPEKY-ZDUSSCGKSA-N 1 1 305.378 2.426 20 5 DEBDMO Cc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[NH2+]1 ZINC000825181820 648720406 /nfs/dbraw/zinc/72/04/06/648720406.db2.gz VGQKRHZANXMANO-AWEZNQCLSA-N 1 1 314.345 2.018 20 5 DEBDMO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000827266342 649004485 /nfs/dbraw/zinc/00/44/85/649004485.db2.gz KBBZRLNHJUFMSZ-DUVNUKRYSA-N 1 1 317.389 2.251 20 5 DEBDMO CC(C)CC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000827713405 649073293 /nfs/dbraw/zinc/07/32/93/649073293.db2.gz YFCQXYKMGCJYDH-UHFFFAOYSA-N 1 1 320.393 2.117 20 5 DEBDMO C[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000828258637 649156519 /nfs/dbraw/zinc/15/65/19/649156519.db2.gz FRPHKZZHMCQBNH-GFCCVEGCSA-N 1 1 315.377 2.163 20 5 DEBDMO C[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000828263565 649157547 /nfs/dbraw/zinc/15/75/47/649157547.db2.gz HMZMXCXYRRZUNV-NSHDSACASA-N 1 1 320.349 2.424 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000829572362 649324655 /nfs/dbraw/zinc/32/46/55/649324655.db2.gz IRNISYCJNWMNBG-GFCCVEGCSA-N 1 1 303.366 2.161 20 5 DEBDMO O=C(Cn1c[nH+]c2c1CCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000829692835 649341786 /nfs/dbraw/zinc/34/17/86/649341786.db2.gz UPHQLMMTZFDRDY-UHFFFAOYSA-N 1 1 318.308 2.448 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000834315092 649780355 /nfs/dbraw/zinc/78/03/55/649780355.db2.gz VQAYKGDSIMKYGI-MFKMUULPSA-N 1 1 309.753 2.024 20 5 DEBDMO Cc1noc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c1[N+](=O)[O-] ZINC000851730275 652219541 /nfs/dbraw/zinc/21/95/41/652219541.db2.gz APHZUEJKRJUMLT-LLVKDONJSA-N 1 1 305.338 2.004 20 5 DEBDMO Cc1noc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1[N+](=O)[O-] ZINC000851730275 652219543 /nfs/dbraw/zinc/21/95/43/652219543.db2.gz APHZUEJKRJUMLT-LLVKDONJSA-N 1 1 305.338 2.004 20 5 DEBDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852698898 652441068 /nfs/dbraw/zinc/44/10/68/652441068.db2.gz RUSGZRPMUBRDLE-CYBMUJFWSA-N 1 1 323.368 2.471 20 5 DEBDMO CC[N@H+](C[C@H](C)OC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853513531 652560077 /nfs/dbraw/zinc/56/00/77/652560077.db2.gz AQUIFZXFJFBEFL-LBPRGKRZSA-N 1 1 319.365 2.168 20 5 DEBDMO CC[N@@H+](C[C@H](C)OC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853513531 652560079 /nfs/dbraw/zinc/56/00/79/652560079.db2.gz AQUIFZXFJFBEFL-LBPRGKRZSA-N 1 1 319.365 2.168 20 5 DEBDMO Cc1nn(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000853573021 652570615 /nfs/dbraw/zinc/57/06/15/652570615.db2.gz VOEUEAQGHMYJCV-DZGCQCFKSA-N 1 1 308.382 2.338 20 5 DEBDMO Cc1nn(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000853573021 652570616 /nfs/dbraw/zinc/57/06/16/652570616.db2.gz VOEUEAQGHMYJCV-DZGCQCFKSA-N 1 1 308.382 2.338 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccns3)CC2)cc1 ZINC000929154905 693907020 /nfs/dbraw/zinc/90/70/20/693907020.db2.gz URPCLVWXYBTTHL-UHFFFAOYSA-N 1 1 318.402 2.416 20 5 DEBDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000251859015 685192113 /nfs/dbraw/zinc/19/21/13/685192113.db2.gz SFYIYOOASFRODO-MWLCHTKSSA-N 1 1 312.753 2.489 20 5 DEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000251859015 685192114 /nfs/dbraw/zinc/19/21/14/685192114.db2.gz SFYIYOOASFRODO-MWLCHTKSSA-N 1 1 312.753 2.489 20 5 DEBDMO COC(=O)c1cnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000859319525 685705859 /nfs/dbraw/zinc/70/58/59/685705859.db2.gz QBWULMNYEKQDLN-JTQLQIEISA-N 1 1 316.317 2.022 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862546439 686319470 /nfs/dbraw/zinc/31/94/70/686319470.db2.gz MNMNAZGCLHZJLE-RVJOUVGOSA-N 1 1 302.330 2.103 20 5 DEBDMO O=[N+]([O-])CCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000929848415 694042185 /nfs/dbraw/zinc/04/21/85/694042185.db2.gz SAQLBEZNQKVUBJ-SJORKVTESA-N 1 1 303.406 2.250 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC2(COC2)O1 ZINC000930354834 694144413 /nfs/dbraw/zinc/14/44/13/694144413.db2.gz SESQFMKLKIVRMG-OAHLLOKOSA-N 1 1 306.362 2.017 20 5 DEBDMO C[C@]([NH3+])(C(=O)N1CCC(C)(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000870879619 688676254 /nfs/dbraw/zinc/67/62/54/688676254.db2.gz KLANXPUXZPSNFO-MRXNPFEDSA-N 1 1 305.378 2.417 20 5 DEBDMO C[C@]([NH3+])(C(=O)N1CCC[C@H](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000870955729 688695008 /nfs/dbraw/zinc/69/50/08/688695008.db2.gz YGYLBXNJNNNBHP-MLGOLLRUSA-N 1 1 323.368 2.367 20 5 DEBDMO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872024119 688915090 /nfs/dbraw/zinc/91/50/90/688915090.db2.gz NLGCKRAWYWJKIH-MNOVXSKESA-N 1 1 309.341 2.395 20 5 DEBDMO CC[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000872772247 689089125 /nfs/dbraw/zinc/08/91/25/689089125.db2.gz RLTXAPAVNYSTDY-ZDUSSCGKSA-N 1 1 309.366 2.126 20 5 DEBDMO CC[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000872772247 689089128 /nfs/dbraw/zinc/08/91/28/689089128.db2.gz RLTXAPAVNYSTDY-ZDUSSCGKSA-N 1 1 309.366 2.126 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000872778439 689091202 /nfs/dbraw/zinc/09/12/02/689091202.db2.gz HXDHRHZFJHPZJG-NEPJUHHUSA-N 1 1 306.322 2.176 20 5 DEBDMO Cn1cc(C[N@@H+](C)[C@H]2CCc3ccccc3C2)c([N+](=O)[O-])n1 ZINC000876742438 689923577 /nfs/dbraw/zinc/92/35/77/689923577.db2.gz UHPDQUBQROIHAO-HNNXBMFYSA-N 1 1 300.362 2.318 20 5 DEBDMO CC(C)CN1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876923570 689974536 /nfs/dbraw/zinc/97/45/36/689974536.db2.gz DKROPUGDBCOIQU-UHFFFAOYSA-N 1 1 321.425 2.205 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000877466539 690121081 /nfs/dbraw/zinc/12/10/81/690121081.db2.gz MFMFHDBGGRKQSJ-XEZPLFJOSA-N 1 1 317.389 2.297 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000877471803 690123998 /nfs/dbraw/zinc/12/39/98/690123998.db2.gz AZAMEFGKZCNKOJ-CQSZACIVSA-N 1 1 317.389 2.408 20 5 DEBDMO CC1(C)C[C@@H](O)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000879620516 690690069 /nfs/dbraw/zinc/69/00/69/690690069.db2.gz GZQABEYSGPIJCZ-GFCCVEGCSA-N 1 1 321.377 2.016 20 5 DEBDMO CC(C)(O)[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879960425 690766341 /nfs/dbraw/zinc/76/63/41/690766341.db2.gz DZLIUSNLSNMSRX-ZDUSSCGKSA-N 1 1 308.378 2.457 20 5 DEBDMO CC(C)(O)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000879964288 690769442 /nfs/dbraw/zinc/76/94/42/690769442.db2.gz WEWPUPOIWHJXIW-NSHDSACASA-N 1 1 318.377 2.454 20 5 DEBDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000879964288 690769443 /nfs/dbraw/zinc/76/94/43/690769443.db2.gz WEWPUPOIWHJXIW-NSHDSACASA-N 1 1 318.377 2.454 20 5 DEBDMO Cc1csc([C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000880007422 690779685 /nfs/dbraw/zinc/77/96/85/690779685.db2.gz HBGDTZYXPMTMKS-NSHDSACASA-N 1 1 307.379 2.046 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931487185 694410374 /nfs/dbraw/zinc/41/03/74/694410374.db2.gz VCGVBYMXMCPUEW-CYBMUJFWSA-N 1 1 307.394 2.044 20 5 DEBDMO CC[NH+](CC)Cc1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000881213645 691050711 /nfs/dbraw/zinc/05/07/11/691050711.db2.gz RLINNDLUIACYJG-UHFFFAOYSA-N 1 1 307.329 2.216 20 5 DEBDMO CN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000931609861 694439317 /nfs/dbraw/zinc/43/93/17/694439317.db2.gz LWIIRYDAHAGEAX-LLVKDONJSA-N 1 1 310.329 2.292 20 5 DEBDMO Cn1cc(C[NH2+][C@@H]2c3ccccc3NC2(C)C)c([N+](=O)[O-])n1 ZINC000883464758 691517673 /nfs/dbraw/zinc/51/76/73/691517673.db2.gz VVXJQEWIZBJKTQ-CYBMUJFWSA-N 1 1 301.350 2.363 20 5 DEBDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885956089 691971163 /nfs/dbraw/zinc/97/11/63/691971163.db2.gz ICAOZNHQCDOHMW-UHFFFAOYSA-N 1 1 320.393 2.069 20 5 DEBDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885961206 691972105 /nfs/dbraw/zinc/97/21/05/691972105.db2.gz VPCHLYBSYRUHLW-LBPRGKRZSA-N 1 1 301.350 2.103 20 5 DEBDMO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000886215330 692026550 /nfs/dbraw/zinc/02/65/50/692026550.db2.gz IOKNQHQNTFWDTC-CYBMUJFWSA-N 1 1 304.394 2.296 20 5 DEBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000886273681 692042466 /nfs/dbraw/zinc/04/24/66/692042466.db2.gz DTICSIYKZCUCGN-OAHLLOKOSA-N 1 1 301.346 2.025 20 5 DEBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000886273681 692042467 /nfs/dbraw/zinc/04/24/67/692042467.db2.gz DTICSIYKZCUCGN-OAHLLOKOSA-N 1 1 301.346 2.025 20 5 DEBDMO CCOc1cc(NC(=O)NCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000888834990 692610953 /nfs/dbraw/zinc/61/09/53/692610953.db2.gz YTEZYXNAZFSAJO-UHFFFAOYSA-N 1 1 324.381 2.455 20 5 DEBDMO CC1(C)CC[N@@H+](CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000890079541 692857355 /nfs/dbraw/zinc/85/73/55/692857355.db2.gz YGWIEAPPIUDAIJ-UHFFFAOYSA-N 1 1 309.341 2.196 20 5 DEBDMO C[N@H+]1C[C@@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)C[C@]2(C)C1 ZINC000896913883 693013395 /nfs/dbraw/zinc/01/33/95/693013395.db2.gz WPODROANUCMXRS-DYVFJYSZSA-N 1 1 316.405 2.257 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[N@H+]4CCC[C@@H]4CO3)n2)s1 ZINC000924008993 693081589 /nfs/dbraw/zinc/08/15/89/693081589.db2.gz ZUQQCGKXPMIFMX-RKDXNWHRSA-N 1 1 322.346 2.242 20 5 DEBDMO CCn1nc(C)c([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000925387712 693265304 /nfs/dbraw/zinc/26/53/04/693265304.db2.gz HGQLBTHWSNAVAS-LLVKDONJSA-N 1 1 319.365 2.244 20 5 DEBDMO CCO[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CN(C)C ZINC000926961647 693536201 /nfs/dbraw/zinc/53/62/01/693536201.db2.gz PQIUZOWEMDYFNC-WFASDCNBSA-N 1 1 307.394 2.138 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCO[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000932344592 694597129 /nfs/dbraw/zinc/59/71/29/694597129.db2.gz LJVDYSFBNUHSGM-GFCCVEGCSA-N 1 1 310.350 2.093 20 5 DEBDMO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000932437399 694614746 /nfs/dbraw/zinc/61/47/46/694614746.db2.gz RADZYJFZOSRXPA-CQSZACIVSA-N 1 1 305.378 2.474 20 5 DEBDMO CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000932437399 694614747 /nfs/dbraw/zinc/61/47/47/694614747.db2.gz RADZYJFZOSRXPA-CQSZACIVSA-N 1 1 305.378 2.474 20 5 DEBDMO Cc1ccc(NCCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)[nH+]c1 ZINC001333558706 1150064300 /nfs/dbraw/zinc/06/43/00/1150064300.db2.gz ULNMTLZNPALHED-UHFFFAOYSA-N 1 1 314.345 2.449 20 5 DEBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001350125400 1151325994 /nfs/dbraw/zinc/32/59/94/1151325994.db2.gz UHHQTYWSAMEGKF-CHWSQXEVSA-N 1 1 322.340 2.482 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001353395754 1151828457 /nfs/dbraw/zinc/82/84/57/1151828457.db2.gz XFWFOSRJYMOOBA-UHFFFAOYSA-N 1 1 308.313 2.117 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC001472059156 1151860097 /nfs/dbraw/zinc/86/00/97/1151860097.db2.gz UYFOHWLIJQIUOI-GFCCVEGCSA-N 1 1 309.341 2.194 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C3CCC2(CO)CC3)cc1 ZINC001354949832 1151960690 /nfs/dbraw/zinc/96/06/90/1151960690.db2.gz CVPPVJHMRHGSSO-UHFFFAOYSA-N 1 1 306.362 2.353 20 5 DEBDMO CC[N@H+](CCNC(=O)C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001492901272 1161886687 /nfs/dbraw/zinc/88/66/87/1161886687.db2.gz KTKWRRJUVSUWBC-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO CC[N@@H+](CCNC(=O)C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001492901272 1161886691 /nfs/dbraw/zinc/88/66/91/1161886691.db2.gz KTKWRRJUVSUWBC-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO O=[N+]([O-])c1cc(NCC2([NH+]3CCCC3)COC2)cc2cc[nH]c21 ZINC001168451506 782434669 /nfs/dbraw/zinc/43/46/69/782434669.db2.gz MVGXZYAUAYLOJW-UHFFFAOYSA-N 1 1 316.361 2.353 20 5 DEBDMO Cc1nn(C[N@H+]2CCC[C@@H](CF)C2)c2ncc([N+](=O)[O-])cc12 ZINC001333312648 1150031882 /nfs/dbraw/zinc/03/18/82/1150031882.db2.gz XKXCLQWZEVLCMA-NSHDSACASA-N 1 1 307.329 2.287 20 5 DEBDMO CC[N@H+]1CC[C@@H](Oc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC001225747447 779034221 /nfs/dbraw/zinc/03/42/21/779034221.db2.gz MCBVPHNXSFBOIM-SECBINFHSA-N 1 1 316.155 2.225 20 5 DEBDMO CC(C)[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168964620 784989031 /nfs/dbraw/zinc/98/90/31/784989031.db2.gz UPMBQFVFKUYMOV-RWMBFGLXSA-N 1 1 300.399 2.388 20 5 DEBDMO COC(=O)CC[N@@H+](Cc1ccco1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169024987 785018431 /nfs/dbraw/zinc/01/84/31/785018431.db2.gz IGVGPGLUYXTMPK-STQMWFEESA-N 1 1 310.350 2.090 20 5 DEBDMO O=C1Nc2ccccc2[C@]12CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169024851 785018712 /nfs/dbraw/zinc/01/87/12/785018712.db2.gz RNVPKHVBCHYTIO-OGHNNQOOSA-N 1 1 315.373 2.028 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)C1 ZINC001169026617 785019659 /nfs/dbraw/zinc/01/96/59/785019659.db2.gz YBYCQWKMULAAPO-DMRKSPOLSA-N 1 1 324.421 2.090 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001169026099 785020347 /nfs/dbraw/zinc/02/03/47/785020347.db2.gz KQQQEIQDTPYLNP-MSOLQXFVSA-N 1 1 317.433 2.292 20 5 DEBDMO Cc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169054507 785024634 /nfs/dbraw/zinc/02/46/34/785024634.db2.gz MHOGQYWONXFECT-RRFJBIMHSA-N 1 1 305.378 2.289 20 5 DEBDMO Cc1cc(Cl)nc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157265339 786218133 /nfs/dbraw/zinc/21/81/33/786218133.db2.gz JHLOQGSEWOUHAE-WDEREUQCSA-N 1 1 310.785 2.482 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2cnccn2)c([N+](=O)[O-])c1 ZINC001170345259 786929756 /nfs/dbraw/zinc/92/97/56/786929756.db2.gz JHWJYVOICDXHGV-GFCCVEGCSA-N 1 1 316.361 2.456 20 5 DEBDMO N[C@H](CCC[NH3+])Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001170897692 789643900 /nfs/dbraw/zinc/64/39/00/789643900.db2.gz IYRQEMDSFHVESZ-AWEZNQCLSA-N 1 1 301.350 2.092 20 5 DEBDMO CCC[N@@H+](C)CC(=O)NCCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001094517566 792960483 /nfs/dbraw/zinc/96/04/83/792960483.db2.gz XZWHYRXUHJOQET-UHFFFAOYSA-N 1 1 322.409 2.163 20 5 DEBDMO Cc1cc(NCCN(C)C(=O)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001101657709 793298565 /nfs/dbraw/zinc/29/85/65/793298565.db2.gz MFWXKNRWTOWGBX-UHFFFAOYSA-N 1 1 322.409 2.114 20 5 DEBDMO CC[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(=O)OC ZINC001172900013 793522854 /nfs/dbraw/zinc/52/28/54/793522854.db2.gz RFCGCBIPUNRGOE-ZFWWWQNUSA-N 1 1 306.362 2.383 20 5 DEBDMO COC(=O)[C@H]1CCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906666 793524090 /nfs/dbraw/zinc/52/40/90/793524090.db2.gz XUZIIDNTCUQJAA-GOEBONIOSA-N 1 1 318.373 2.480 20 5 DEBDMO CN(C)[C@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172908551 793525370 /nfs/dbraw/zinc/52/53/70/793525370.db2.gz NABMQBBWLIATOI-RDJZCZTQSA-N 1 1 303.406 2.478 20 5 DEBDMO C[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1C ZINC001172918255 793532758 /nfs/dbraw/zinc/53/27/58/793532758.db2.gz ZVSMHEAUUAKPEX-CJNGLKHVSA-N 1 1 303.406 2.478 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ncco2)c1F ZINC001173174822 793617622 /nfs/dbraw/zinc/61/76/22/793617622.db2.gz CXWMCEORMWXRDH-VIFPVBQESA-N 1 1 309.297 2.451 20 5 DEBDMO CC(=O)N1CCC([N@H+](C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173227666 793643204 /nfs/dbraw/zinc/64/32/04/793643204.db2.gz RZZJLFYCNIDQRA-CYBMUJFWSA-N 1 1 319.405 2.469 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001173235886 793647295 /nfs/dbraw/zinc/64/72/95/793647295.db2.gz ZYNOJDXHJFWQFM-WBMJQRKESA-N 1 1 319.361 2.100 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC001117935845 795127899 /nfs/dbraw/zinc/12/78/99/795127899.db2.gz DRVCLCBHLNAKDZ-UHFFFAOYSA-N 1 1 320.393 2.241 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@H](CF)C3)n2)c1 ZINC001119388830 795295890 /nfs/dbraw/zinc/29/58/90/795295890.db2.gz DYEIXBRHGYSFKV-LLVKDONJSA-N 1 1 305.313 2.102 20 5 DEBDMO CC(C)(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087628 795588458 /nfs/dbraw/zinc/58/84/58/795588458.db2.gz QQRRLDIEYYSVFD-FZOOGMQUSA-N 1 1 323.437 2.105 20 5 DEBDMO Cc1c(CC(=O)NC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC001121154092 795596689 /nfs/dbraw/zinc/59/66/89/795596689.db2.gz GKKKTOJQSKBONP-CQSZACIVSA-N 1 1 305.378 2.046 20 5 DEBDMO C[C@]([NH3+])(C(=O)N1CCC=C(Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC001122344790 795749020 /nfs/dbraw/zinc/74/90/20/795749020.db2.gz KZQJDYMWUQOYFT-CQSZACIVSA-N 1 1 309.753 2.124 20 5 DEBDMO C[N@@H+]1CCc2c(NC[C@@H](O)c3ccco3)ccc([N+](=O)[O-])c2C1 ZINC001162262875 799045263 /nfs/dbraw/zinc/04/52/63/799045263.db2.gz MIYWMZOSGFNCSZ-OAHLLOKOSA-N 1 1 317.345 2.321 20 5 DEBDMO C[N@H+]1CCc2c(NC[C@@H](O)c3ccco3)ccc([N+](=O)[O-])c2C1 ZINC001162262875 799045270 /nfs/dbraw/zinc/04/52/70/799045270.db2.gz MIYWMZOSGFNCSZ-OAHLLOKOSA-N 1 1 317.345 2.321 20 5 DEBDMO O=[N+]([O-])c1cc(F)cnc1NCC[C@@H]1CC[NH2+]CC1(F)F ZINC001162809626 799180790 /nfs/dbraw/zinc/18/07/90/799180790.db2.gz CMJJYAKUNVSNAF-QMMMGPOBSA-N 1 1 304.272 2.176 20 5 DEBDMO Cc1[nH+]ccn1CCNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1C ZINC001163922982 799457662 /nfs/dbraw/zinc/45/76/62/799457662.db2.gz BWMXULHAESYEOJ-UHFFFAOYSA-N 1 1 305.294 2.428 20 5 DEBDMO C[C@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CC[C@@]1(C)O ZINC001164350670 799579731 /nfs/dbraw/zinc/57/97/31/799579731.db2.gz WFHASGYXXUKYSK-JOEXVHRGSA-N 1 1 320.393 2.119 20 5 DEBDMO C[N@@H+]1C[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001165146046 799663240 /nfs/dbraw/zinc/66/32/40/799663240.db2.gz AXPNKXNAEINXGQ-OCAPTIKFSA-N 1 1 317.176 2.294 20 5 DEBDMO O=C1NCCC2(CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)O1 ZINC000932757819 799924297 /nfs/dbraw/zinc/92/42/97/799924297.db2.gz CYGKDRDIHMIZHG-UHFFFAOYSA-N 1 1 323.324 2.198 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933062891 800002888 /nfs/dbraw/zinc/00/28/88/800002888.db2.gz JUBWXFSASVDCKK-GFCCVEGCSA-N 1 1 324.352 2.240 20 5 DEBDMO CC[N@@H+](CCC(=O)NC)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000933865909 800199679 /nfs/dbraw/zinc/19/96/79/800199679.db2.gz CZSPBABLMFTURZ-UHFFFAOYSA-N 1 1 323.393 2.340 20 5 DEBDMO CO[C@H]1CC[C@H]1[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000934115473 800264379 /nfs/dbraw/zinc/26/43/79/800264379.db2.gz AGAIERDBROAUSK-CABCVRRESA-N 1 1 321.377 2.341 20 5 DEBDMO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000934124777 800269692 /nfs/dbraw/zinc/26/96/92/800269692.db2.gz DMXIAMQLNIWDKQ-STQMWFEESA-N 1 1 318.333 2.254 20 5 DEBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000934124777 800269695 /nfs/dbraw/zinc/26/96/95/800269695.db2.gz DMXIAMQLNIWDKQ-STQMWFEESA-N 1 1 318.333 2.254 20 5 DEBDMO C[N@H+]1CCC[C@@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)CC1 ZINC001229365119 801265276 /nfs/dbraw/zinc/26/52/76/801265276.db2.gz RIPSACJJCTVIRA-LLVKDONJSA-N 1 1 318.333 2.107 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2OC1CC[NH+](CCF)CC1 ZINC001229399412 801270667 /nfs/dbraw/zinc/27/06/67/801270667.db2.gz JXVOQLSDUBOECA-UHFFFAOYSA-N 1 1 320.324 2.351 20 5 DEBDMO c1ccc2nc3cc(O[C@H]4C[C@H]5CNCC[N@H+]5C4)ccc3nc2c1 ZINC001218071940 802139349 /nfs/dbraw/zinc/13/93/49/802139349.db2.gz NRNJTJGVXJBTDO-ZFWWWQNUSA-N 1 1 320.396 2.208 20 5 DEBDMO c1ccc2nc3cc(O[C@H]4C[C@H]5CNCC[N@@H+]5C4)ccc3nc2c1 ZINC001218071940 802139351 /nfs/dbraw/zinc/13/93/51/802139351.db2.gz NRNJTJGVXJBTDO-ZFWWWQNUSA-N 1 1 320.396 2.208 20 5 DEBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3cc(F)c([N+](=O)[O-])c(F)c3)[C@H]1CC(=O)C2 ZINC001233746551 802197297 /nfs/dbraw/zinc/19/72/97/802197297.db2.gz BQSCOGBSTXVXIF-YLJLNXRRSA-N 1 1 312.272 2.056 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@H](Oc3cc(F)c([N+](=O)[O-])c(F)c3)[C@H]1CC(=O)C2 ZINC001233746551 802197301 /nfs/dbraw/zinc/19/73/01/802197301.db2.gz BQSCOGBSTXVXIF-YLJLNXRRSA-N 1 1 312.272 2.056 20 5 DEBDMO C[N@@H+]1CCO[C@H](COc2ccnc3c2ccc2cccnc23)C1 ZINC001234086194 802291428 /nfs/dbraw/zinc/29/14/28/802291428.db2.gz ALVXWCCZYRIYMR-AWEZNQCLSA-N 1 1 309.369 2.492 20 5 DEBDMO C[N@H+]1CCO[C@H](COc2ccnc3c2ccc2cccnc23)C1 ZINC001234086194 802291433 /nfs/dbraw/zinc/29/14/33/802291433.db2.gz ALVXWCCZYRIYMR-AWEZNQCLSA-N 1 1 309.369 2.492 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])ccc1COC1C[NH+](C(C)(C)C)C1 ZINC001223450082 802791325 /nfs/dbraw/zinc/79/13/25/802791325.db2.gz JDLJJBRNKWLTAX-UHFFFAOYSA-N 1 1 322.361 2.381 20 5 DEBDMO C[NH+]1CCC2(CC[C@@H](COc3cc(O)ccc3[N+](=O)[O-])O2)CC1 ZINC001225488685 802972787 /nfs/dbraw/zinc/97/27/87/802972787.db2.gz IQOHMLCNTRQOGV-ZDUSSCGKSA-N 1 1 322.361 2.323 20 5 DEBDMO C[N@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225893080 803025726 /nfs/dbraw/zinc/02/57/26/803025726.db2.gz LQZMRTLMMYLUJH-VIFPVBQESA-N 1 1 305.256 2.482 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC001227043225 803191781 /nfs/dbraw/zinc/19/17/81/803191781.db2.gz BNOARMAWTWGKJM-LBPRGKRZSA-N 1 1 308.334 2.243 20 5 DEBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001227121638 803204361 /nfs/dbraw/zinc/20/43/61/803204361.db2.gz DBFNKUXUEHYKQA-LLVKDONJSA-N 1 1 308.334 2.243 20 5 DEBDMO CC[N@H+]1CC[C@@H](Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001227243817 803220253 /nfs/dbraw/zinc/22/02/53/803220253.db2.gz OLQRETSTKSRICB-MRVPVSSYSA-N 1 1 305.256 2.482 20 5 DEBDMO CC(C)(C)CCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227258083 803222857 /nfs/dbraw/zinc/22/28/57/803222857.db2.gz JHYONMAQZLUSQD-ZIAGYGMSSA-N 1 1 311.426 2.059 20 5 DEBDMO C[NH+](C)[C@H]1CC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001228603089 803379273 /nfs/dbraw/zinc/37/92/73/803379273.db2.gz INOVSHNZCLNYEB-XYPYZODXSA-N 1 1 322.365 2.219 20 5 DEBDMO Cc1nn(C[N@@H+]2CCC[C@@H](O)[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC001331522910 1149501537 /nfs/dbraw/zinc/50/15/37/1149501537.db2.gz JLYUFWUYRINBAJ-IAQYHMDHSA-N 1 1 304.350 2.056 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])[C@@H]2C1 ZINC001458718800 1058088473 /nfs/dbraw/zinc/08/84/73/1058088473.db2.gz ZOJSDAQWVJYUCE-HBNTYKKESA-N 1 1 306.322 2.255 20 5 DEBDMO O=C1OCC[C@]12CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001460979456 1058560962 /nfs/dbraw/zinc/56/09/62/1058560962.db2.gz XTSRQNBTMZOUOF-AWEZNQCLSA-N 1 1 310.737 2.387 20 5 DEBDMO O=C1OCC[C@]12CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001460979456 1058560979 /nfs/dbraw/zinc/56/09/79/1058560979.db2.gz 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C[N@@H+]1CC[C@](O)(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417344185 529810587 /nfs/dbraw/zinc/81/05/87/529810587.db2.gz PQQAQCNOHAKLOE-IRXDYDNUSA-N 1 1 319.405 2.019 20 5 DEBDMO C[N@H+]1CC[C@](O)(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417344185 529810589 /nfs/dbraw/zinc/81/05/89/529810589.db2.gz PQQAQCNOHAKLOE-IRXDYDNUSA-N 1 1 319.405 2.019 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000615034621 362515409 /nfs/dbraw/zinc/51/54/09/362515409.db2.gz VJSBQRFMCCQZMN-LBPRGKRZSA-N 1 1 306.366 2.461 20 5 DEBDMO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000181813387 199356043 /nfs/dbraw/zinc/35/60/43/199356043.db2.gz NCHBHZQDHVJOSM-LBPRGKRZSA-N 1 1 314.345 2.303 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000115436907 185684619 /nfs/dbraw/zinc/68/46/19/185684619.db2.gz RONSUYURJSYFTR-ZDUSSCGKSA-N 1 1 305.378 2.317 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCCCO ZINC000279715704 215084526 /nfs/dbraw/zinc/08/45/26/215084526.db2.gz LAUWODXALJVFSY-LBPRGKRZSA-N 1 1 309.366 2.016 20 5 DEBDMO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272608909 210008323 /nfs/dbraw/zinc/00/83/23/210008323.db2.gz YVHDWLJFHHBFHY-LBPRGKRZSA-N 1 1 321.377 2.104 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272608909 210008327 /nfs/dbraw/zinc/00/83/27/210008327.db2.gz YVHDWLJFHHBFHY-LBPRGKRZSA-N 1 1 321.377 2.104 20 5 DEBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000140655504 186027301 /nfs/dbraw/zinc/02/73/01/186027301.db2.gz UHEJTBKXWZNBAD-STQMWFEESA-N 1 1 310.398 2.317 20 5 DEBDMO Cc1cccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000164273407 186154739 /nfs/dbraw/zinc/15/47/39/186154739.db2.gz HOXWYGKXKKKKQA-ZFWWWQNUSA-N 1 1 317.389 2.460 20 5 DEBDMO Cc1n[nH]cc1C1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595475216 358458171 /nfs/dbraw/zinc/45/81/71/358458171.db2.gz JQCPCBYXFJQFBU-UHFFFAOYSA-N 1 1 305.338 2.302 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595483605 358461254 /nfs/dbraw/zinc/46/12/54/358461254.db2.gz WXPVKRASUYNARF-TZMCWYRMSA-N 1 1 320.393 2.439 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000277199866 213361586 /nfs/dbraw/zinc/36/15/86/213361586.db2.gz FIKCCVCXAJMKNI-UHFFFAOYSA-N 1 1 321.377 2.080 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000617350397 363104864 /nfs/dbraw/zinc/10/48/64/363104864.db2.gz XVKVSVXSRSHOLF-GFCCVEGCSA-N 1 1 321.377 2.064 20 5 DEBDMO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000072561176 191194417 /nfs/dbraw/zinc/19/44/17/191194417.db2.gz JVAYBRCWTCADRE-UHFFFAOYSA-N 1 1 323.393 2.446 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000174148915 198297816 /nfs/dbraw/zinc/29/78/16/198297816.db2.gz YISSRRFFFSXBDW-STQMWFEESA-N 1 1 321.377 2.280 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000174651332 198365974 /nfs/dbraw/zinc/36/59/74/198365974.db2.gz SECFTJZELSTKAP-JXMROGBWSA-N 1 1 305.378 2.456 20 5 DEBDMO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000174734958 198377596 /nfs/dbraw/zinc/37/75/96/198377596.db2.gz KEGYKNOHKMUFFQ-CYBMUJFWSA-N 1 1 310.375 2.075 20 5 DEBDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000174734958 198377597 /nfs/dbraw/zinc/37/75/97/198377597.db2.gz KEGYKNOHKMUFFQ-CYBMUJFWSA-N 1 1 310.375 2.075 20 5 DEBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174878078 198395788 /nfs/dbraw/zinc/39/57/88/198395788.db2.gz RRZKCOXKVVLECO-CYBMUJFWSA-N 1 1 318.377 2.363 20 5 DEBDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711297 354084883 /nfs/dbraw/zinc/08/48/83/354084883.db2.gz JMKAVHBHLGRLBG-INIZCTEOSA-N 1 1 316.357 2.467 20 5 DEBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063726404 354655008 /nfs/dbraw/zinc/65/50/08/354655008.db2.gz APBADRODLWAQIL-UHFFFAOYSA-N 1 1 319.405 2.470 20 5 DEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000060380161 354612508 /nfs/dbraw/zinc/61/25/08/354612508.db2.gz AEQOTWOXYZAAIV-ZDUSSCGKSA-N 1 1 324.400 2.419 20 5 DEBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000060380162 354612577 /nfs/dbraw/zinc/61/25/77/354612577.db2.gz AEQOTWOXYZAAIV-CYBMUJFWSA-N 1 1 324.400 2.419 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000067725673 354776002 /nfs/dbraw/zinc/77/60/02/354776002.db2.gz CVSQWVPHPHFJKI-ZDUSSCGKSA-N 1 1 320.393 2.126 20 5 DEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000067724337 354776242 /nfs/dbraw/zinc/77/62/42/354776242.db2.gz KSVPYJDCXLOURG-LSDHHAIUSA-N 1 1 318.377 2.021 20 5 DEBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000068323978 354807790 /nfs/dbraw/zinc/80/77/90/354807790.db2.gz WOSAWZARUCXAOK-VIFPVBQESA-N 1 1 309.347 2.282 20 5 DEBDMO Cc1c(C(=O)N2CCC[N@H+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000068800342 354834020 /nfs/dbraw/zinc/83/40/20/354834020.db2.gz WTBJEHPIEWNZOG-UHFFFAOYSA-N 1 1 305.378 2.460 20 5 DEBDMO C[C@H](O)CC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072713875 354915046 /nfs/dbraw/zinc/91/50/46/354915046.db2.gz RUQCINXCRDXABJ-QWRGUYRKSA-N 1 1 320.349 2.409 20 5 DEBDMO C[C@H](O)CC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072713875 354915048 /nfs/dbraw/zinc/91/50/48/354915048.db2.gz RUQCINXCRDXABJ-QWRGUYRKSA-N 1 1 320.349 2.409 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332565066 235112344 /nfs/dbraw/zinc/11/23/44/235112344.db2.gz ASNACRAXIDFPLK-CYBMUJFWSA-N 1 1 303.362 2.132 20 5 DEBDMO C[N@@H+](CCC1CCCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075682272 355101907 /nfs/dbraw/zinc/10/19/07/355101907.db2.gz RZWLGUDKFZGHHD-HNNXBMFYSA-N 1 1 310.398 2.054 20 5 DEBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)C[NH+]1CCOCC1 ZINC000077995716 355239794 /nfs/dbraw/zinc/23/97/94/355239794.db2.gz YWZKNLYLYRMETD-JTQLQIEISA-N 1 1 314.773 2.023 20 5 DEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(C)(C)O ZINC000093414765 355682652 /nfs/dbraw/zinc/68/26/52/355682652.db2.gz CELYNOSQECEOHT-UHFFFAOYSA-N 1 1 304.293 2.399 20 5 DEBDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000171299015 355999856 /nfs/dbraw/zinc/99/98/56/355999856.db2.gz XPADGAWACGYQOW-LLVKDONJSA-N 1 1 322.361 2.377 20 5 DEBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000181869855 356097949 /nfs/dbraw/zinc/09/79/49/356097949.db2.gz NQCGJPIXRRGXIW-UHFFFAOYSA-N 1 1 312.391 2.100 20 5 DEBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000181869855 356097953 /nfs/dbraw/zinc/09/79/53/356097953.db2.gz NQCGJPIXRRGXIW-UHFFFAOYSA-N 1 1 312.391 2.100 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184768711 356197011 /nfs/dbraw/zinc/19/70/11/356197011.db2.gz LBZUSQUINKYLAY-AAEUAGOBSA-N 1 1 323.368 2.438 20 5 DEBDMO CC(=O)N1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255336414 356337935 /nfs/dbraw/zinc/33/79/35/356337935.db2.gz BPGIWZOCASRKOB-DAXSKMNVSA-N 1 1 303.362 2.162 20 5 DEBDMO CC(=O)N1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255336414 356337938 /nfs/dbraw/zinc/33/79/38/356337938.db2.gz BPGIWZOCASRKOB-DAXSKMNVSA-N 1 1 303.362 2.162 20 5 DEBDMO COc1cc(C[N@@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])cc1F ZINC000292983017 356387628 /nfs/dbraw/zinc/38/76/28/356387628.db2.gz BMORNMUEJRAPBR-NSHDSACASA-N 1 1 312.341 2.337 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])cc1F ZINC000292983017 356387630 /nfs/dbraw/zinc/38/76/30/356387630.db2.gz BMORNMUEJRAPBR-NSHDSACASA-N 1 1 312.341 2.337 20 5 DEBDMO Cc1cc(OC[C@H](O)C[N@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000314228184 356416223 /nfs/dbraw/zinc/41/62/23/356416223.db2.gz WTCZCLUOBMAEDD-LLVKDONJSA-N 1 1 300.330 2.122 20 5 DEBDMO CC(C)C[N@H+]1CC[C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420606497 283194048 /nfs/dbraw/zinc/19/40/48/283194048.db2.gz YKEGTGXAICVIOX-LBPRGKRZSA-N 1 1 320.393 2.084 20 5 DEBDMO C[NH+](C)Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000351162393 356624984 /nfs/dbraw/zinc/62/49/84/356624984.db2.gz QZZVSEPRQPGDRB-UHFFFAOYSA-N 1 1 303.322 2.065 20 5 DEBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCC[N@H+]1C ZINC000586865479 357377873 /nfs/dbraw/zinc/37/78/73/357377873.db2.gz QSIPBLXQEUDPSN-HNNXBMFYSA-N 1 1 305.378 2.080 20 5 DEBDMO CC[N@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000588006015 357387540 /nfs/dbraw/zinc/38/75/40/357387540.db2.gz COKOXWMKHDTZFB-VIFPVBQESA-N 1 1 307.379 2.130 20 5 DEBDMO COC[C@]1(C)CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590655123 357573389 /nfs/dbraw/zinc/57/33/89/357573389.db2.gz PBBVOPXPNJSALJ-MRXNPFEDSA-N 1 1 322.361 2.224 20 5 DEBDMO NC(=O)CC[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000339718222 283285693 /nfs/dbraw/zinc/28/56/93/283285693.db2.gz NRDDPKKRQYLKRJ-AWEZNQCLSA-N 1 1 305.378 2.115 20 5 DEBDMO CC(C)c1ccc(CN(C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592428479 357875223 /nfs/dbraw/zinc/87/52/23/357875223.db2.gz QMKDOALPALPESS-UHFFFAOYSA-N 1 1 320.437 2.055 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593499847 358092207 /nfs/dbraw/zinc/09/22/07/358092207.db2.gz DYVHMFHNVUCHQB-UHFFFAOYSA-N 1 1 311.357 2.125 20 5 DEBDMO C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000593593208 358107588 /nfs/dbraw/zinc/10/75/88/358107588.db2.gz DXDKWGQQIMTCBB-NSHDSACASA-N 1 1 321.352 2.043 20 5 DEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CN(C)C(=O)O1 ZINC000495796186 283328949 /nfs/dbraw/zinc/32/89/49/283328949.db2.gz UCYAMSCLVMZBIL-AWEZNQCLSA-N 1 1 307.350 2.256 20 5 DEBDMO C[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593730824 358132240 /nfs/dbraw/zinc/13/22/40/358132240.db2.gz HQRRIIQLWVIPPB-UONOGXRCSA-N 1 1 307.394 2.423 20 5 DEBDMO O=C(CC[N@@H+]1CCCCC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000594016696 358190326 /nfs/dbraw/zinc/19/03/26/358190326.db2.gz DWEQUNGLBXRDDI-OAHLLOKOSA-N 1 1 321.377 2.160 20 5 DEBDMO Cc1cc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000180413534 199155623 /nfs/dbraw/zinc/15/56/23/199155623.db2.gz QXMSMOVOMKYWBP-SNVBAGLBSA-N 1 1 304.306 2.181 20 5 DEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594199223 358222350 /nfs/dbraw/zinc/22/23/50/358222350.db2.gz HWGWRYAUDRHLPK-GJZGRUSLSA-N 1 1 303.362 2.342 20 5 DEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594199225 358222713 /nfs/dbraw/zinc/22/27/13/358222713.db2.gz HWGWRYAUDRHLPK-LSDHHAIUSA-N 1 1 303.362 2.342 20 5 DEBDMO O=[N+]([O-])c1ccsc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000594598680 358301777 /nfs/dbraw/zinc/30/17/77/358301777.db2.gz HGJWEDKNJXDTAF-LBPRGKRZSA-N 1 1 311.407 2.347 20 5 DEBDMO NC(=O)c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594602521 358302875 /nfs/dbraw/zinc/30/28/75/358302875.db2.gz QYMHCSAIULHSMX-GXTWGEPZSA-N 1 1 318.377 2.123 20 5 DEBDMO C[C@H]1C[NH+](CCN(C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595287487 358412317 /nfs/dbraw/zinc/41/23/17/358412317.db2.gz IVVBNPSPAJABTI-KBPBESRZSA-N 1 1 307.394 2.136 20 5 DEBDMO C[C@H]1CN(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595287487 358412320 /nfs/dbraw/zinc/41/23/20/358412320.db2.gz IVVBNPSPAJABTI-KBPBESRZSA-N 1 1 307.394 2.136 20 5 DEBDMO C[C@H]1CN(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595287487 358412322 /nfs/dbraw/zinc/41/23/22/358412322.db2.gz IVVBNPSPAJABTI-KBPBESRZSA-N 1 1 307.394 2.136 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1=CCCOC1 ZINC000595754570 358541753 /nfs/dbraw/zinc/54/17/53/358541753.db2.gz XXUXYCWWALGXJN-LBPRGKRZSA-N 1 1 319.361 2.200 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1=CCCOC1 ZINC000595754570 358541755 /nfs/dbraw/zinc/54/17/55/358541755.db2.gz XXUXYCWWALGXJN-LBPRGKRZSA-N 1 1 319.361 2.200 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595702745 358528589 /nfs/dbraw/zinc/52/85/89/358528589.db2.gz JOXHNQBAQJDSOT-HNNXBMFYSA-N 1 1 317.320 2.343 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595702745 358528590 /nfs/dbraw/zinc/52/85/90/358528590.db2.gz JOXHNQBAQJDSOT-HNNXBMFYSA-N 1 1 317.320 2.343 20 5 DEBDMO O=c1[nH]ccc(NCC[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000596073707 358603616 /nfs/dbraw/zinc/60/36/16/358603616.db2.gz RXRUATAIWMLKBL-UHFFFAOYSA-N 1 1 314.345 2.166 20 5 DEBDMO CC(C)[N@@H+](C)CC1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596086627 358607745 /nfs/dbraw/zinc/60/77/45/358607745.db2.gz UXSHWOZGKNZMBD-UHFFFAOYSA-N 1 1 307.398 2.129 20 5 DEBDMO O=c1[nH]ccc(NCC[NH+]2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000596099989 358610795 /nfs/dbraw/zinc/61/07/95/358610795.db2.gz YHNIBAZFAQIQHV-UHFFFAOYSA-N 1 1 300.318 2.123 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000596337118 358669785 /nfs/dbraw/zinc/66/97/85/358669785.db2.gz UJXRDONPWHSLHO-SNVBAGLBSA-N 1 1 322.365 2.061 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597603291 358960730 /nfs/dbraw/zinc/96/07/30/358960730.db2.gz BHUOISYUUPFTEH-CYBMUJFWSA-N 1 1 309.341 2.290 20 5 DEBDMO CNc1c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000600315869 359721219 /nfs/dbraw/zinc/72/12/19/359721219.db2.gz WHNMSGMSSNONMV-GFCCVEGCSA-N 1 1 320.393 2.098 20 5 DEBDMO CC(C)COC[C@H](O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601105296 359922548 /nfs/dbraw/zinc/92/25/48/359922548.db2.gz YLQDACUQUAZDBY-CYBMUJFWSA-N 1 1 319.361 2.010 20 5 DEBDMO COCCOCCCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601109859 359924604 /nfs/dbraw/zinc/92/46/04/359924604.db2.gz UKHSXPIFIQLFMC-UHFFFAOYSA-N 1 1 319.361 2.420 20 5 DEBDMO CNC(=O)[C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601115531 359926485 /nfs/dbraw/zinc/92/64/85/359926485.db2.gz HUQFFPRLAJXCLY-LLVKDONJSA-N 1 1 314.345 2.105 20 5 DEBDMO CCOc1cc(N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000601185199 359956393 /nfs/dbraw/zinc/95/63/93/359956393.db2.gz QWXBSKMUBNGTOX-QWHCGFSZSA-N 1 1 305.378 2.381 20 5 DEBDMO C[N@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000601187677 359957368 /nfs/dbraw/zinc/95/73/68/359957368.db2.gz VIAFKXCAQZZIHZ-UHFFFAOYSA-N 1 1 301.350 2.068 20 5 DEBDMO CCN1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000601153477 359944267 /nfs/dbraw/zinc/94/42/67/359944267.db2.gz OUFAWNGPMCYUMP-UHFFFAOYSA-N 1 1 314.345 2.202 20 5 DEBDMO C[N@H+]1CCCC12CCN(C(=O)c1c(F)cccc1[N+](=O)[O-])CC2 ZINC000601403757 360031045 /nfs/dbraw/zinc/03/10/45/360031045.db2.gz PBOBLKDEBXDLLZ-UHFFFAOYSA-N 1 1 321.352 2.434 20 5 DEBDMO C[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C[N@H+]1C1CC1 ZINC000602567593 360436333 /nfs/dbraw/zinc/43/63/33/360436333.db2.gz HKDLRBOYUOFJFX-MNOVXSKESA-N 1 1 316.361 2.451 20 5 DEBDMO C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CN1C1CC1 ZINC000602567593 360436334 /nfs/dbraw/zinc/43/63/34/360436334.db2.gz HKDLRBOYUOFJFX-MNOVXSKESA-N 1 1 316.361 2.451 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602568762 360437534 /nfs/dbraw/zinc/43/75/34/360437534.db2.gz MASXPBCHZRFYLO-HZMBPMFUSA-N 1 1 316.361 2.308 20 5 DEBDMO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602568762 360437536 /nfs/dbraw/zinc/43/75/36/360437536.db2.gz MASXPBCHZRFYLO-HZMBPMFUSA-N 1 1 316.361 2.308 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602676239 360492447 /nfs/dbraw/zinc/49/24/47/360492447.db2.gz NBOPUNNOQQTVDH-LLVKDONJSA-N 1 1 304.350 2.262 20 5 DEBDMO CCN(C)C(=O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602619418 360459922 /nfs/dbraw/zinc/45/99/22/360459922.db2.gz HMXMODKCMOEMHC-UHFFFAOYSA-N 1 1 319.283 2.182 20 5 DEBDMO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CCN1CCCCC1 ZINC000602831334 360577842 /nfs/dbraw/zinc/57/78/42/360577842.db2.gz NROFUZVTVBQRMX-UHFFFAOYSA-N 1 1 323.441 2.298 20 5 DEBDMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CCN1CCCCC1 ZINC000602831334 360577848 /nfs/dbraw/zinc/57/78/48/360577848.db2.gz NROFUZVTVBQRMX-UHFFFAOYSA-N 1 1 323.441 2.298 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCSC[C@H]1C1CCC1 ZINC000602845545 360587658 /nfs/dbraw/zinc/58/76/58/360587658.db2.gz JRGNWMAOTUIOJR-ZDUSSCGKSA-N 1 1 310.423 2.317 20 5 DEBDMO CC[C@]1(O)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000602983611 360655740 /nfs/dbraw/zinc/65/57/40/360655740.db2.gz OBARDRUVFQBBNZ-INIZCTEOSA-N 1 1 321.377 2.160 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1Cn1cc(C[NH+]2CCCCC2)nn1 ZINC000603201842 360744761 /nfs/dbraw/zinc/74/47/61/360744761.db2.gz UNJQTAITCFMOCI-UHFFFAOYSA-N 1 1 319.340 2.360 20 5 DEBDMO COC(=O)C[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000604304741 360895311 /nfs/dbraw/zinc/89/53/11/360895311.db2.gz DPSAELRXOWDTFL-ZDUSSCGKSA-N 1 1 322.361 2.391 20 5 DEBDMO COC(=O)C[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000604304737 360895389 /nfs/dbraw/zinc/89/53/89/360895389.db2.gz DPSAELRXOWDTFL-CYBMUJFWSA-N 1 1 322.361 2.391 20 5 DEBDMO C[C@]1(O)CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000619432116 363791844 /nfs/dbraw/zinc/79/18/44/363791844.db2.gz WWZXQJNOVDSOJO-INIZCTEOSA-N 1 1 322.361 2.103 20 5 DEBDMO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])s1)[NH+]1CCN(C)CC1 ZINC000610272975 361377629 /nfs/dbraw/zinc/37/76/29/361377629.db2.gz XJNREMOMRTUNNB-GFCCVEGCSA-N 1 1 312.439 2.340 20 5 DEBDMO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000610437230 361399870 /nfs/dbraw/zinc/39/98/70/361399870.db2.gz XCHKUJLNCBXFMY-OAHLLOKOSA-N 1 1 317.389 2.371 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000610447646 361400833 /nfs/dbraw/zinc/40/08/33/361400833.db2.gz HXPNQEDVBLRTEX-INIZCTEOSA-N 1 1 316.361 2.255 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000610447527 361401063 /nfs/dbraw/zinc/40/10/63/361401063.db2.gz HASYITGUSLXZON-HNNXBMFYSA-N 1 1 302.334 2.334 20 5 DEBDMO O=c1ccccn1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610995209 361508868 /nfs/dbraw/zinc/50/88/68/361508868.db2.gz RJPSMFBRHBUUMA-UHFFFAOYSA-N 1 1 313.357 2.421 20 5 DEBDMO O=c1ccccn1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610995209 361508878 /nfs/dbraw/zinc/50/88/78/361508878.db2.gz RJPSMFBRHBUUMA-UHFFFAOYSA-N 1 1 313.357 2.421 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088382 361525273 /nfs/dbraw/zinc/52/52/73/361525273.db2.gz SHCPAIPIKGWBOV-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088382 361525280 /nfs/dbraw/zinc/52/52/80/361525280.db2.gz SHCPAIPIKGWBOV-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000611560857 361632360 /nfs/dbraw/zinc/63/23/60/361632360.db2.gz RBPZKCGMEINLNH-CQSZACIVSA-N 1 1 318.377 2.026 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000194474479 201234923 /nfs/dbraw/zinc/23/49/23/201234923.db2.gz FRHMPSIXKNXCDX-GFCCVEGCSA-N 1 1 303.362 2.117 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000611713863 361666196 /nfs/dbraw/zinc/66/61/96/361666196.db2.gz IWELAKRZOUWHPB-NHYWBVRUSA-N 1 1 313.361 2.068 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707523 361662841 /nfs/dbraw/zinc/66/28/41/361662841.db2.gz IUKZFMCPJKXPPV-MEBBXXQBSA-N 1 1 313.361 2.433 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000194822828 201296076 /nfs/dbraw/zinc/29/60/76/201296076.db2.gz JQLRVQLSLRLGQD-NWDGAFQWSA-N 1 1 303.362 2.258 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000619567047 363827855 /nfs/dbraw/zinc/82/78/55/363827855.db2.gz KWYDYOKILCYSLJ-HNNXBMFYSA-N 1 1 319.405 2.388 20 5 DEBDMO C[C@@H](O)C[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000245932027 202553605 /nfs/dbraw/zinc/55/36/05/202553605.db2.gz YTRVSEGVTVSHEW-NXEZZACHSA-N 1 1 306.322 2.018 20 5 DEBDMO C[C@@H](O)C[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000245932027 202553609 /nfs/dbraw/zinc/55/36/09/202553609.db2.gz YTRVSEGVTVSHEW-NXEZZACHSA-N 1 1 306.322 2.018 20 5 DEBDMO CN(C(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451550453 243110235 /nfs/dbraw/zinc/11/02/35/243110235.db2.gz RTSKSYUSXJZZLP-AWEZNQCLSA-N 1 1 317.389 2.395 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000451730625 243380537 /nfs/dbraw/zinc/38/05/37/243380537.db2.gz PIWQBGFECGDBJU-CQSZACIVSA-N 1 1 307.394 2.390 20 5 DEBDMO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000452169985 244008456 /nfs/dbraw/zinc/00/84/56/244008456.db2.gz HLAGANMIZHTWSW-LLVKDONJSA-N 1 1 321.352 2.290 20 5 DEBDMO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000093520702 193262858 /nfs/dbraw/zinc/26/28/58/193262858.db2.gz PCILYJWRFQUEOU-UHFFFAOYSA-N 1 1 320.798 2.161 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000266208328 205182157 /nfs/dbraw/zinc/18/21/57/205182157.db2.gz MCPXCBDAAOBPFD-LLVKDONJSA-N 1 1 319.365 2.299 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000266208334 205183866 /nfs/dbraw/zinc/18/38/66/205183866.db2.gz MCPXCBDAAOBPFD-NSHDSACASA-N 1 1 319.365 2.299 20 5 DEBDMO O=C(CC[N@@H+]1CCCC[C@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000283431336 217609503 /nfs/dbraw/zinc/60/95/03/217609503.db2.gz HGGVAMWVPZQKMP-ZDUSSCGKSA-N 1 1 321.377 2.160 20 5 DEBDMO COc1ccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000458199379 248198077 /nfs/dbraw/zinc/19/80/77/248198077.db2.gz UTWJJROHWOATHI-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492160386 249008948 /nfs/dbraw/zinc/00/89/48/249008948.db2.gz FPUZIEKVCODCHH-CTAIPNAISA-N 1 1 315.373 2.207 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000492994231 249191774 /nfs/dbraw/zinc/19/17/74/249191774.db2.gz ZQKCCDAPZGNXQB-CXOKCQFOSA-N 1 1 317.389 2.407 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284693525 218136892 /nfs/dbraw/zinc/13/68/92/218136892.db2.gz IBHRNMYYDNSYKD-KCXAZCMYSA-N 1 1 305.378 2.061 20 5 DEBDMO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000269217556 207336133 /nfs/dbraw/zinc/33/61/33/207336133.db2.gz YSIFDYROHXDJDX-LBPRGKRZSA-N 1 1 321.377 2.152 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000119874888 195053638 /nfs/dbraw/zinc/05/36/38/195053638.db2.gz KQOQQGOGOWZMML-HNNXBMFYSA-N 1 1 315.377 2.141 20 5 DEBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](CCc2cscn2)CC1 ZINC000284292943 285163592 /nfs/dbraw/zinc/16/35/92/285163592.db2.gz OBXKRHFJKCWITG-UHFFFAOYSA-N 1 1 318.402 2.416 20 5 DEBDMO CCOCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157586225 197199568 /nfs/dbraw/zinc/19/95/68/197199568.db2.gz CBXWZVWBKGHMLJ-LBPRGKRZSA-N 1 1 309.366 2.280 20 5 DEBDMO CCOCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157586225 197199569 /nfs/dbraw/zinc/19/95/69/197199569.db2.gz CBXWZVWBKGHMLJ-LBPRGKRZSA-N 1 1 309.366 2.280 20 5 DEBDMO C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000541894222 285197939 /nfs/dbraw/zinc/19/79/39/285197939.db2.gz BZPXIZJYCHEJSA-LBPRGKRZSA-N 1 1 318.377 2.044 20 5 DEBDMO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000294746231 224208609 /nfs/dbraw/zinc/20/86/09/224208609.db2.gz HRTJEQBCWDMHQL-AWEZNQCLSA-N 1 1 307.350 2.257 20 5 DEBDMO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000294746231 224208611 /nfs/dbraw/zinc/20/86/11/224208611.db2.gz HRTJEQBCWDMHQL-AWEZNQCLSA-N 1 1 307.350 2.257 20 5 DEBDMO COC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000543455435 285288589 /nfs/dbraw/zinc/28/85/89/285288589.db2.gz SOEMUYCXBFBMDN-CYBMUJFWSA-N 1 1 320.349 2.405 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C)C1 ZINC000299690843 533227175 /nfs/dbraw/zinc/22/71/75/533227175.db2.gz YVCORPLZNVYXNQ-WDEREUQCSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C)C1 ZINC000299690843 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C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246657047 145110292 /nfs/dbraw/zinc/11/02/92/145110292.db2.gz GWHILCYXMWSRMK-KGLIPLIRSA-N 1 1 319.405 2.374 20 5 DEBDMO CCOc1cccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000322346236 145378612 /nfs/dbraw/zinc/37/86/12/145378612.db2.gz CIXWKJIYAYCLEU-QWHCGFSZSA-N 1 1 321.377 2.269 20 5 DEBDMO COc1ccc(NC(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000346103359 146015948 /nfs/dbraw/zinc/01/59/48/146015948.db2.gz CGEVPTIPAZVOIC-NSHDSACASA-N 1 1 322.365 2.161 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000346657895 146118663 /nfs/dbraw/zinc/11/86/63/146118663.db2.gz HFHRFAQOUSHUGB-SMDDNHRTSA-N 1 1 322.361 2.377 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cncc(F)c3)C2)nc1 ZINC000347003019 146177513 /nfs/dbraw/zinc/17/75/13/146177513.db2.gz XBCLEZOQGPDQIB-ZDUSSCGKSA-N 1 1 317.324 2.210 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cncc(F)c3)C2)nc1 ZINC000347003019 146177515 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COc1ccc(OCC[N@@H+]2C[C@H](C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000173571787 402703435 /nfs/dbraw/zinc/70/34/35/402703435.db2.gz AYDAQGQLTIFRIW-LBPRGKRZSA-N 1 1 324.377 2.482 20 5 DEBDMO COc1ccc(OCC[N@H+]2C[C@H](C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000173571787 402703436 /nfs/dbraw/zinc/70/34/36/402703436.db2.gz AYDAQGQLTIFRIW-LBPRGKRZSA-N 1 1 324.377 2.482 20 5 DEBDMO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000182208551 402672139 /nfs/dbraw/zinc/67/21/39/402672139.db2.gz FFRDPUIVAKSQCT-UHFFFAOYSA-N 1 1 314.407 2.346 20 5 DEBDMO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000182208551 402672142 /nfs/dbraw/zinc/67/21/42/402672142.db2.gz FFRDPUIVAKSQCT-UHFFFAOYSA-N 1 1 314.407 2.346 20 5 DEBDMO COC(=O)[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000191793279 402692600 /nfs/dbraw/zinc/69/26/00/402692600.db2.gz JYPVFHLLLIBDJJ-STQMWFEESA-N 1 1 322.361 2.105 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)n1 ZINC000183384949 402761924 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DEBDMO CC(C)C[C@H]1COCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667396 403155674 /nfs/dbraw/zinc/15/56/74/403155674.db2.gz SSMOPPQNHGKCRV-JKSUJKDBSA-N 1 1 308.378 2.375 20 5 DEBDMO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000270680335 403212378 /nfs/dbraw/zinc/21/23/78/403212378.db2.gz CJWUHCQHJUCQIM-SWLSCSKDSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000270680335 403212380 /nfs/dbraw/zinc/21/23/80/403212380.db2.gz CJWUHCQHJUCQIM-SWLSCSKDSA-N 1 1 321.377 2.423 20 5 DEBDMO COCC[N@H+]1CC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276597869 403190207 /nfs/dbraw/zinc/19/02/07/403190207.db2.gz KDOVUODQAPJYTL-CYBMUJFWSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284287012 403260206 /nfs/dbraw/zinc/26/02/06/403260206.db2.gz NSKQKHIHUSQWHF-ZYHUDNBSSA-N 1 1 318.333 2.212 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 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CC(C)[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293218936 403418655 /nfs/dbraw/zinc/41/86/55/403418655.db2.gz RPXHQIDXYWTXCG-HOTGVXAUSA-N 1 1 308.378 2.375 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000331687222 403451672 /nfs/dbraw/zinc/45/16/72/403451672.db2.gz VRSJCSVAIDCVKA-NSHDSACASA-N 1 1 316.361 2.242 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000345940493 403541741 /nfs/dbraw/zinc/54/17/41/403541741.db2.gz CVXDAHMEOROUFY-OLZOCXBDSA-N 1 1 305.378 2.458 20 5 DEBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000332300347 403543926 /nfs/dbraw/zinc/54/39/26/403543926.db2.gz VGBLGGCCICKLOB-LLVKDONJSA-N 1 1 316.361 2.290 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299246472 403553963 /nfs/dbraw/zinc/55/39/63/403553963.db2.gz NBSADDAKYAXNIM-SNVBAGLBSA-N 1 1 312.757 2.464 20 5 DEBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000332455307 403586525 /nfs/dbraw/zinc/58/65/25/403586525.db2.gz NIFVBDLEWRRQHH-UHFFFAOYSA-N 1 1 305.378 2.361 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000343608129 403661017 /nfs/dbraw/zinc/66/10/17/403661017.db2.gz ZMFYSQODCUWVDQ-HNNXBMFYSA-N 1 1 321.377 2.424 20 5 DEBDMO Cc1nn(C)c(NCC[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000301572793 403649276 /nfs/dbraw/zinc/64/92/76/403649276.db2.gz XMPFCRDYKJOBDN-UHFFFAOYSA-N 1 1 321.356 2.320 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000302846485 403733374 /nfs/dbraw/zinc/73/33/74/403733374.db2.gz GUASEYSJGXVYFW-OKILXGFUSA-N 1 1 307.394 2.449 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000302846485 403733378 /nfs/dbraw/zinc/73/33/78/403733378.db2.gz GUASEYSJGXVYFW-OKILXGFUSA-N 1 1 307.394 2.449 20 5 DEBDMO C[C@@H]1C[N@@H+](CCN(C)c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302854615 403734268 /nfs/dbraw/zinc/73/42/68/403734268.db2.gz KOIXHPVQHVMVQW-TXEJJXNPSA-N 1 1 311.357 2.279 20 5 DEBDMO C[C@@H]1C[N@H+](CCN(C)c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302854615 403734271 /nfs/dbraw/zinc/73/42/71/403734271.db2.gz KOIXHPVQHVMVQW-TXEJJXNPSA-N 1 1 311.357 2.279 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000288408443 403748928 /nfs/dbraw/zinc/74/89/28/403748928.db2.gz NDSVCCNBOZDKMD-SNVBAGLBSA-N 1 1 321.406 2.378 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000303993426 403761115 /nfs/dbraw/zinc/76/11/15/403761115.db2.gz NTRCLYHGMZCRAX-WFASDCNBSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000303993426 403761118 /nfs/dbraw/zinc/76/11/18/403761118.db2.gz NTRCLYHGMZCRAX-WFASDCNBSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000295299085 403840128 /nfs/dbraw/zinc/84/01/28/403840128.db2.gz JFAODZVZRQSRLH-CYBMUJFWSA-N 1 1 317.389 2.460 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1(O)CCCC1 ZINC000305238207 403890939 /nfs/dbraw/zinc/89/09/39/403890939.db2.gz ZMYFCCUFXPAQOT-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344185622 403964806 /nfs/dbraw/zinc/96/48/06/403964806.db2.gz SZUBYSBEEFUQON-LLVKDONJSA-N 1 1 309.341 2.196 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344248259 404007143 /nfs/dbraw/zinc/00/71/43/404007143.db2.gz DBOHSBKTFVFVAS-ZDUSSCGKSA-N 1 1 321.352 2.481 20 5 DEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351936062 404021467 /nfs/dbraw/zinc/02/14/67/404021467.db2.gz OGMCATKMGDHQHN-GIPNMCIBSA-N 1 1 318.333 2.018 20 5 DEBDMO COc1cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000412066192 404102813 /nfs/dbraw/zinc/10/28/13/404102813.db2.gz DBSMYEZGIRUBMG-MNOVXSKESA-N 1 1 312.341 2.335 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000412066192 404102822 /nfs/dbraw/zinc/10/28/22/404102822.db2.gz DBSMYEZGIRUBMG-MNOVXSKESA-N 1 1 312.341 2.335 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)cc1[N+](=O)[O-] ZINC000412025349 404064645 /nfs/dbraw/zinc/06/46/45/404064645.db2.gz HAYOGYRXSQKHGT-GFCCVEGCSA-N 1 1 317.349 2.019 20 5 DEBDMO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000412025349 404064648 /nfs/dbraw/zinc/06/46/48/404064648.db2.gz HAYOGYRXSQKHGT-GFCCVEGCSA-N 1 1 317.349 2.019 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000412025349 404064652 /nfs/dbraw/zinc/06/46/52/404064652.db2.gz HAYOGYRXSQKHGT-GFCCVEGCSA-N 1 1 317.349 2.019 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000344435094 404134260 /nfs/dbraw/zinc/13/42/60/404134260.db2.gz VLHKWRWIHZVODP-TXEJJXNPSA-N 1 1 321.377 2.158 20 5 DEBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C(C)(C)CN1CCOCC1 ZINC000412092440 404126905 /nfs/dbraw/zinc/12/69/05/404126905.db2.gz MWXPUNHDHCEEDQ-UHFFFAOYSA-N 1 1 307.394 2.137 20 5 DEBDMO Cc1nc(N2CC[N@@H+](C)C[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000296199282 404140185 /nfs/dbraw/zinc/14/01/85/404140185.db2.gz CCQFTKHQYBUFIH-HNNXBMFYSA-N 1 1 313.361 2.186 20 5 DEBDMO Cc1nc(N2CC[N@H+](C)C[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000296199282 404140192 /nfs/dbraw/zinc/14/01/92/404140192.db2.gz CCQFTKHQYBUFIH-HNNXBMFYSA-N 1 1 313.361 2.186 20 5 DEBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000349790224 404202187 /nfs/dbraw/zinc/20/21/87/404202187.db2.gz JCHBVKCFCPJJTF-NSHDSACASA-N 1 1 318.329 2.430 20 5 DEBDMO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](C)O ZINC000352202723 404210323 /nfs/dbraw/zinc/21/03/23/404210323.db2.gz LVVBDKSHZYFZCW-LBPRGKRZSA-N 1 1 319.361 2.495 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000369844013 404249203 /nfs/dbraw/zinc/24/92/03/404249203.db2.gz AAGOGEMYLDPBBG-BXUZGUMPSA-N 1 1 304.350 2.153 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000290639609 404253423 /nfs/dbraw/zinc/25/34/23/404253423.db2.gz PYAWIZBRLMAGLG-GFCCVEGCSA-N 1 1 323.393 2.454 20 5 DEBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCNC1=O ZINC000355201198 404277634 /nfs/dbraw/zinc/27/76/34/404277634.db2.gz RNIIEMVPPVSMDA-CQSZACIVSA-N 1 1 315.329 2.175 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCNC1=O ZINC000355201198 404277641 /nfs/dbraw/zinc/27/76/41/404277641.db2.gz RNIIEMVPPVSMDA-CQSZACIVSA-N 1 1 315.329 2.175 20 5 DEBDMO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000363992121 404278471 /nfs/dbraw/zinc/27/84/71/404278471.db2.gz DVXZYGBOFHVQNL-DVOMOZLQSA-N 1 1 306.362 2.363 20 5 DEBDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000363992121 404278477 /nfs/dbraw/zinc/27/84/77/404278477.db2.gz DVXZYGBOFHVQNL-DVOMOZLQSA-N 1 1 306.362 2.363 20 5 DEBDMO Cc1[nH+]ccn1CCCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621898 404497445 /nfs/dbraw/zinc/49/74/45/404497445.db2.gz VAXCASGKEASGBB-UHFFFAOYSA-N 1 1 316.361 2.384 20 5 DEBDMO C[N@@H+](CCC(=O)N1CCCCC1)CCc1ccccc1[N+](=O)[O-] ZINC000352551380 404450877 /nfs/dbraw/zinc/45/08/77/404450877.db2.gz XGQJLDBGCIZWIO-UHFFFAOYSA-N 1 1 319.405 2.472 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000291633344 404456270 /nfs/dbraw/zinc/45/62/70/404456270.db2.gz UYRIIZNAWGKKJR-LLVKDONJSA-N 1 1 308.382 2.027 20 5 DEBDMO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000297115012 404457224 /nfs/dbraw/zinc/45/72/24/404457224.db2.gz YHJDIJFFBZIXJU-LLVKDONJSA-N 1 1 309.341 2.290 20 5 DEBDMO CS[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000342548779 404644948 /nfs/dbraw/zinc/64/49/48/404644948.db2.gz LSICPNIZDCGVJP-LSDHHAIUSA-N 1 1 309.435 2.115 20 5 DEBDMO CS[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000342548779 404644956 /nfs/dbraw/zinc/64/49/56/404644956.db2.gz LSICPNIZDCGVJP-LSDHHAIUSA-N 1 1 309.435 2.115 20 5 DEBDMO CS[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000342548778 404645299 /nfs/dbraw/zinc/64/52/99/404645299.db2.gz LSICPNIZDCGVJP-HUUCEWRRSA-N 1 1 309.435 2.115 20 5 DEBDMO CS[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000342548778 404645304 /nfs/dbraw/zinc/64/53/04/404645304.db2.gz LSICPNIZDCGVJP-HUUCEWRRSA-N 1 1 309.435 2.115 20 5 DEBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352819511 404645470 /nfs/dbraw/zinc/64/54/70/404645470.db2.gz PGUUHYUSQBWQEI-STQMWFEESA-N 1 1 319.405 2.423 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352819511 404645473 /nfs/dbraw/zinc/64/54/73/404645473.db2.gz PGUUHYUSQBWQEI-STQMWFEESA-N 1 1 319.405 2.423 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000414498591 404658860 /nfs/dbraw/zinc/65/88/60/404658860.db2.gz NCHKXAAHUZERMW-UZGISAJGSA-N 1 1 317.389 2.408 20 5 DEBDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC[N@H+]1C ZINC000345287951 404659620 /nfs/dbraw/zinc/65/96/20/404659620.db2.gz IVNBCGYCOFXZLE-YGRLFVJLSA-N 1 1 316.361 2.289 20 5 DEBDMO CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000330447982 404662294 /nfs/dbraw/zinc/66/22/94/404662294.db2.gz IJNZOQULXIRFOD-OCCSQVGLSA-N 1 1 305.378 2.456 20 5 DEBDMO C[C@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000351618475 404674407 /nfs/dbraw/zinc/67/44/07/404674407.db2.gz HKJPIXSGVAQVHM-CABZTGNLSA-N 1 1 310.329 2.338 20 5 DEBDMO C[N@H+](CC[C@@H]1CCCO1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342611289 404677372 /nfs/dbraw/zinc/67/73/72/404677372.db2.gz XKKFIPFECYHHNA-LBPRGKRZSA-N 1 1 307.350 2.034 20 5 DEBDMO C[N@@H+](CC[C@@H]1CCCO1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342611289 404677377 /nfs/dbraw/zinc/67/73/77/404677377.db2.gz XKKFIPFECYHHNA-LBPRGKRZSA-N 1 1 307.350 2.034 20 5 DEBDMO Cc1c(C[N@H+](C)C2(CCO)CCOCC2)cccc1[N+](=O)[O-] ZINC000353046777 404731074 /nfs/dbraw/zinc/73/10/74/404731074.db2.gz TZGNIYSPZQWYLJ-UHFFFAOYSA-N 1 1 308.378 2.267 20 5 DEBDMO [NH3+]CC(F)(F)CN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414929906 404769167 /nfs/dbraw/zinc/76/91/67/404769167.db2.gz OKUPWQSDAZGHAC-AAEUAGOBSA-N 1 1 313.348 2.490 20 5 DEBDMO NCC(F)(F)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414929906 404769170 /nfs/dbraw/zinc/76/91/70/404769170.db2.gz OKUPWQSDAZGHAC-AAEUAGOBSA-N 1 1 313.348 2.490 20 5 DEBDMO COC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000451199176 404899185 /nfs/dbraw/zinc/89/91/85/404899185.db2.gz HAZSLPOEFBWPKP-INIZCTEOSA-N 1 1 321.377 2.282 20 5 DEBDMO Cn1ccnc1[C@@H]([NH2+]CC1(C)COC1)c1cccc([N+](=O)[O-])c1 ZINC000353519307 404855366 /nfs/dbraw/zinc/85/53/66/404855366.db2.gz MTHZTDADXVTGNS-AWEZNQCLSA-N 1 1 316.361 2.044 20 5 DEBDMO COc1ccc(OCCO[C@H](C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000360945044 404858285 /nfs/dbraw/zinc/85/82/85/404858285.db2.gz CGCOQNNWIRRPBC-LLVKDONJSA-N 1 1 321.333 2.353 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])nc(C)n2CC)C1 ZINC000360992134 404871108 /nfs/dbraw/zinc/87/11/08/404871108.db2.gz ZRUDGVHIOIACCK-CYBMUJFWSA-N 1 1 309.414 2.288 20 5 DEBDMO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000361083161 404909642 /nfs/dbraw/zinc/90/96/42/404909642.db2.gz XCQFTDXHNBILKP-WDEREUQCSA-N 1 1 322.365 2.061 20 5 DEBDMO C[C@H](CO)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCC1 ZINC000361493188 405099598 /nfs/dbraw/zinc/09/95/98/405099598.db2.gz QJSXTXVKEYVMHA-LLVKDONJSA-N 1 1 318.377 2.454 20 5 DEBDMO COC[C@]1(CO)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451939540 405102556 /nfs/dbraw/zinc/10/25/56/405102556.db2.gz WSRFANKFRPLDIH-CQSZACIVSA-N 1 1 314.769 2.079 20 5 DEBDMO COC[C@]1(CO)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451939540 405102561 /nfs/dbraw/zinc/10/25/61/405102561.db2.gz WSRFANKFRPLDIH-CQSZACIVSA-N 1 1 314.769 2.079 20 5 DEBDMO Cc1c(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000408148191 405124327 /nfs/dbraw/zinc/12/43/27/405124327.db2.gz FXZNAGWZLGAXFY-RYUDHWBXSA-N 1 1 306.366 2.460 20 5 DEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000361569991 405134850 /nfs/dbraw/zinc/13/48/50/405134850.db2.gz ZTVXYDUEXCYGPP-CHWSQXEVSA-N 1 1 304.350 2.343 20 5 DEBDMO COC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000452035807 405135014 /nfs/dbraw/zinc/13/50/14/405135014.db2.gz HLMMZJGAKJYQRZ-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO COC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000452035807 405135019 /nfs/dbraw/zinc/13/50/19/405135019.db2.gz HLMMZJGAKJYQRZ-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+](CCO)C2CCC2)cccc1[N+](=O)[O-] ZINC000439268970 405272555 /nfs/dbraw/zinc/27/25/55/405272555.db2.gz DABUJDZXLXUFOD-UHFFFAOYSA-N 1 1 321.377 2.079 20 5 DEBDMO CC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000439290045 405273626 /nfs/dbraw/zinc/27/36/26/405273626.db2.gz SIMUDQCSCNLLGB-MRXNPFEDSA-N 1 1 321.377 2.079 20 5 DEBDMO CC[C@]1(CO)CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000439290045 405273628 /nfs/dbraw/zinc/27/36/28/405273628.db2.gz SIMUDQCSCNLLGB-MRXNPFEDSA-N 1 1 321.377 2.079 20 5 DEBDMO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000439495963 405282414 /nfs/dbraw/zinc/28/24/14/405282414.db2.gz RHIRGQSGTMBTGH-DOMZBBRYSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000439495963 405282415 /nfs/dbraw/zinc/28/24/15/405282415.db2.gz RHIRGQSGTMBTGH-DOMZBBRYSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H]1[C@H](C)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000419375143 405245087 /nfs/dbraw/zinc/24/50/87/405245087.db2.gz QZNFZQKZIZFBMU-UPJWGTAASA-N 1 1 317.389 2.460 20 5 DEBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452863579 405252394 /nfs/dbraw/zinc/25/23/94/405252394.db2.gz VMLLTYVWQHUPJZ-ZBFHGGJFSA-N 1 1 317.389 2.395 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000440932298 405331142 /nfs/dbraw/zinc/33/11/42/405331142.db2.gz MSBWUYRZYHZPQA-CABZTGNLSA-N 1 1 307.325 2.089 20 5 DEBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425556012 405302845 /nfs/dbraw/zinc/30/28/45/405302845.db2.gz ZFAUXKZGMMESKA-SECBINFHSA-N 1 1 307.741 2.356 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000446487075 405383214 /nfs/dbraw/zinc/38/32/14/405383214.db2.gz YZVPJWLVQIXJIC-VXGBXAGGSA-N 1 1 306.366 2.460 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccncc3F)C2)nc1 ZINC000449028426 405505969 /nfs/dbraw/zinc/50/59/69/405505969.db2.gz LQFYATRADWPQHY-LBPRGKRZSA-N 1 1 317.324 2.210 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccncc3F)C2)nc1 ZINC000449028426 405505974 /nfs/dbraw/zinc/50/59/74/405505974.db2.gz LQFYATRADWPQHY-LBPRGKRZSA-N 1 1 317.324 2.210 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1CCC[N@H+]1CCCO ZINC000449385084 405535400 /nfs/dbraw/zinc/53/54/00/405535400.db2.gz DOOHVLKOMUQASX-SEJWUHKESA-N 1 1 319.405 2.044 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1CCC[N@@H+]1CCCO ZINC000449385084 405535404 /nfs/dbraw/zinc/53/54/04/405535404.db2.gz DOOHVLKOMUQASX-SEJWUHKESA-N 1 1 319.405 2.044 20 5 DEBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000449495212 405581333 /nfs/dbraw/zinc/58/13/33/405581333.db2.gz HMTXKQIYQZUPMN-SMDDNHRTSA-N 1 1 324.377 2.469 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493836534 405583472 /nfs/dbraw/zinc/58/34/72/405583472.db2.gz MVGXDIMJLRKBOZ-HVHJFMEUSA-N 1 1 303.362 2.161 20 5 DEBDMO C[C@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000558034444 405639713 /nfs/dbraw/zinc/63/97/13/405639713.db2.gz YEBGYIMQYZTBOD-GUYCJALGSA-N 1 1 317.389 2.253 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000432121094 405727630 /nfs/dbraw/zinc/72/76/30/405727630.db2.gz DKQBFYBWSVXMBE-UHFFFAOYSA-N 1 1 323.393 2.130 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](O)C34CCCC4)nc2c1 ZINC000433033075 405854489 /nfs/dbraw/zinc/85/44/89/405854489.db2.gz TYDJBOQSDPZOAV-AWEZNQCLSA-N 1 1 316.361 2.351 20 5 DEBDMO C[C@H]1C[N@H+](CCNc2nccc3c2cccc3[N+](=O)[O-])CCO1 ZINC000562530366 406026673 /nfs/dbraw/zinc/02/66/73/406026673.db2.gz RUYIRBVBMRNQBS-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H]1C[N@@H+](CCNc2nccc3c2cccc3[N+](=O)[O-])CCO1 ZINC000562530366 406026675 /nfs/dbraw/zinc/02/66/75/406026675.db2.gz RUYIRBVBMRNQBS-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000570078908 406342345 /nfs/dbraw/zinc/34/23/45/406342345.db2.gz CQODQGKAHLGPMY-CYBMUJFWSA-N 1 1 321.377 2.160 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000570078908 406342349 /nfs/dbraw/zinc/34/23/49/406342349.db2.gz CQODQGKAHLGPMY-CYBMUJFWSA-N 1 1 321.377 2.160 20 5 DEBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488746042 406343782 /nfs/dbraw/zinc/34/37/82/406343782.db2.gz MDOSXQNVJHCENF-DGCLKSJQSA-N 1 1 317.345 2.453 20 5 DEBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H]1C ZINC000489459581 406408218 /nfs/dbraw/zinc/40/82/18/406408218.db2.gz CLUPWVIVZLBLKZ-XJKSGUPXSA-N 1 1 324.377 2.099 20 5 DEBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000523332703 406420383 /nfs/dbraw/zinc/42/03/83/406420383.db2.gz CDKSMMFASFWFRH-CYBMUJFWSA-N 1 1 305.378 2.363 20 5 DEBDMO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CCn4cc[nH+]c4C3)c21 ZINC000489896352 406437416 /nfs/dbraw/zinc/43/74/16/406437416.db2.gz NEXPBBOUDLJIDE-JTQLQIEISA-N 1 1 310.317 2.161 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491275133 406559029 /nfs/dbraw/zinc/55/90/29/406559029.db2.gz BNBZDPMHYNRRJD-XHPSBEMXSA-N 1 1 317.389 2.455 20 5 DEBDMO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491564434 406623822 /nfs/dbraw/zinc/62/38/22/406623822.db2.gz WZKQJJQSTSQTNM-ZABGRMTBSA-N 1 1 319.336 2.100 20 5 DEBDMO CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000491909053 406773279 /nfs/dbraw/zinc/77/32/79/406773279.db2.gz ABHYWQJDORBCIB-QPBFKRLHSA-N 1 1 321.352 2.300 20 5 DEBDMO C[C@H]1COCCN1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000192748147 225141144 /nfs/dbraw/zinc/14/11/44/225141144.db2.gz UCPCBEXFHMVQSA-AWEZNQCLSA-N 1 1 319.405 2.280 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)Cn2c[nH+]c3c2CCCC3)c1 ZINC000296800374 226227310 /nfs/dbraw/zinc/22/73/10/226227310.db2.gz RAMWAZLNQJROJH-CYBMUJFWSA-N 1 1 317.345 2.110 20 5 DEBDMO CC(C)[N@H+](C)C[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000290774891 221912541 /nfs/dbraw/zinc/91/25/41/221912541.db2.gz VTAJOXGMJUCALG-SNVBAGLBSA-N 1 1 319.365 2.384 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000291018717 222075596 /nfs/dbraw/zinc/07/55/96/222075596.db2.gz VFSLLXHUHRTSQP-ZDUSSCGKSA-N 1 1 323.393 2.210 20 5 DEBDMO COCCCC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000418138816 229237918 /nfs/dbraw/zinc/23/79/18/229237918.db2.gz SVAJFLMUXDMQEI-UHFFFAOYSA-N 1 1 310.350 2.320 20 5 DEBDMO C[C@H]1CCC[C@@H](CO)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299719381 229359865 /nfs/dbraw/zinc/35/98/65/229359865.db2.gz SAPBYRORAWXENX-STQMWFEESA-N 1 1 321.377 2.159 20 5 DEBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])cn1)CCC(F)(F)F ZINC000491812116 421203689 /nfs/dbraw/zinc/20/36/89/421203689.db2.gz LFZPZMRPMBNUOR-UHFFFAOYSA-N 1 1 307.276 2.071 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000336849258 424925358 /nfs/dbraw/zinc/92/53/58/424925358.db2.gz AFDFNIFGUSCZCG-CQSZACIVSA-N 1 1 300.362 3.039 20 5 DEBDMO CCc1nc(NCc2cc([N+](=O)[O-])ccc2OC)cc(C)[nH+]1 ZINC000341575645 424955024 /nfs/dbraw/zinc/95/50/24/424955024.db2.gz ROUNTTFXRUYUCY-UHFFFAOYSA-N 1 1 302.334 2.876 20 5 DEBDMO COc1cc(C[N@@H+]2CCOC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000359885253 269042474 /nfs/dbraw/zinc/04/24/74/269042474.db2.gz ZCLNXTVEPYGPHE-NSHDSACASA-N 1 1 310.350 2.080 20 5 DEBDMO COc1cc(C[N@H+]2CCOC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000359885253 269042478 /nfs/dbraw/zinc/04/24/78/269042478.db2.gz ZCLNXTVEPYGPHE-NSHDSACASA-N 1 1 310.350 2.080 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)c1ccccc1 ZINC000430192108 269126105 /nfs/dbraw/zinc/12/61/05/269126105.db2.gz AADBQOZAGPDUCA-OAHLLOKOSA-N 1 1 302.330 2.427 20 5 DEBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000184769832 274274192 /nfs/dbraw/zinc/27/41/92/274274192.db2.gz MAFXDAJOZGYPBV-ZYHUDNBSSA-N 1 1 309.322 2.238 20 5 DEBDMO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000371109280 275033287 /nfs/dbraw/zinc/03/32/87/275033287.db2.gz VAXGXOXXDVVMSA-LBPRGKRZSA-N 1 1 311.769 2.159 20 5 DEBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+](C2CC2)CC1 ZINC000278331578 275040696 /nfs/dbraw/zinc/04/06/96/275040696.db2.gz ILBVNORTXPOILA-UHFFFAOYSA-N 1 1 316.283 2.293 20 5 DEBDMO CCC[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000193491406 276031469 /nfs/dbraw/zinc/03/14/69/276031469.db2.gz BOMIZAAAHJJDDC-CQSZACIVSA-N 1 1 322.409 2.114 20 5 DEBDMO CC(C)c1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000192527319 276050481 /nfs/dbraw/zinc/05/04/81/276050481.db2.gz NEWDXEGEKMDYLB-OKILXGFUSA-N 1 1 317.389 2.352 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000288162353 276709332 /nfs/dbraw/zinc/70/93/32/276709332.db2.gz PJTXJIILDBJRKN-UHFFFAOYSA-N 1 1 304.354 2.227 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000292142018 279371556 /nfs/dbraw/zinc/37/15/56/279371556.db2.gz UKTSQANRZGOPDJ-GFCCVEGCSA-N 1 1 322.409 2.119 20 5 DEBDMO O=[N+]([O-])c1cccnc1N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000165918567 280376325 /nfs/dbraw/zinc/37/63/25/280376325.db2.gz BATSBIYXZQHXEN-UHFFFAOYSA-N 1 1 319.752 2.365 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001350120601 1151326364 /nfs/dbraw/zinc/32/63/64/1151326364.db2.gz OQUVSBQBVGFOLP-NDMJEZRESA-N 1 1 322.340 2.196 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000331692471 534032105 /nfs/dbraw/zinc/03/21/05/534032105.db2.gz XMVRPAQZZMUHRD-LLVKDONJSA-N 1 1 305.334 2.235 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292366762 534333034 /nfs/dbraw/zinc/33/30/34/534333034.db2.gz WLXHHVLHCPESIV-INIZCTEOSA-N 1 1 303.362 2.071 20 5 DEBDMO CC[C@@H](C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC000337224504 522096127 /nfs/dbraw/zinc/09/61/27/522096127.db2.gz DQBAMCCTNYCQPD-GFCCVEGCSA-N 1 1 310.350 2.247 20 5 DEBDMO CC[C@@H](C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC000337224504 522096141 /nfs/dbraw/zinc/09/61/41/522096141.db2.gz DQBAMCCTNYCQPD-GFCCVEGCSA-N 1 1 310.350 2.247 20 5 DEBDMO COC[C@@H]1CCCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000364127484 522439282 /nfs/dbraw/zinc/43/92/82/522439282.db2.gz OARVYWHYIYIKJJ-CZUORRHYSA-N 1 1 308.378 2.377 20 5 DEBDMO COC[C@@H]1CCCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000364127483 522439465 /nfs/dbraw/zinc/43/94/65/522439465.db2.gz OARVYWHYIYIKJJ-CJNGLKHVSA-N 1 1 308.378 2.377 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(C(N)=O)c1 ZINC000338349731 522946507 /nfs/dbraw/zinc/94/65/07/522946507.db2.gz GRPBIPJOCOMCAS-UHFFFAOYSA-N 1 1 313.357 2.368 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C(N)=O)cc1 ZINC000338345059 522947178 /nfs/dbraw/zinc/94/71/78/522947178.db2.gz DGFLQRAVKNJGCL-UHFFFAOYSA-N 1 1 313.357 2.368 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000365842569 522975849 /nfs/dbraw/zinc/97/58/49/522975849.db2.gz QZODDOUNNFJDIE-AWEZNQCLSA-N 1 1 302.334 2.247 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000365842569 522975856 /nfs/dbraw/zinc/97/58/56/522975856.db2.gz QZODDOUNNFJDIE-AWEZNQCLSA-N 1 1 302.334 2.247 20 5 DEBDMO COCc1ccc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000130997774 523021340 /nfs/dbraw/zinc/02/13/40/523021340.db2.gz BBSZDVKAGLGHNV-CYBMUJFWSA-N 1 1 320.349 2.368 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365667016 524903416 /nfs/dbraw/zinc/90/34/16/524903416.db2.gz CXUWEWQCQJCEGF-CHWSQXEVSA-N 1 1 303.362 2.260 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365667017 524904280 /nfs/dbraw/zinc/90/42/80/524904280.db2.gz CXUWEWQCQJCEGF-OLZOCXBDSA-N 1 1 303.362 2.260 20 5 DEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000368557139 534880081 /nfs/dbraw/zinc/88/00/81/534880081.db2.gz NGEAPZOUSVSBAG-OCCSQVGLSA-N 1 1 303.362 2.470 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000364268261 527259752 /nfs/dbraw/zinc/25/97/52/527259752.db2.gz ZNSMRPLDUWMIRE-CQSZACIVSA-N 1 1 304.350 2.297 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC)CC1 ZINC000330545485 529248151 /nfs/dbraw/zinc/24/81/51/529248151.db2.gz VBAJMLBHVWWMDU-UHFFFAOYSA-N 1 1 323.418 2.485 20 5 DEBDMO CC[NH2+]CC1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000261956439 535459442 /nfs/dbraw/zinc/45/94/42/535459442.db2.gz NYULEAYTLGAUAZ-UHFFFAOYSA-N 1 1 307.394 2.425 20 5 DEBDMO CCN1CCN(CC(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000449749154 535674698 /nfs/dbraw/zinc/67/46/98/535674698.db2.gz FBCDHESEXXIZLF-UHFFFAOYSA-N 1 1 320.437 2.101 20 5 DEBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C(C)C ZINC000355609411 535784830 /nfs/dbraw/zinc/78/48/30/535784830.db2.gz REQQQNUSMKFKSB-UHFFFAOYSA-N 1 1 310.350 2.377 20 5 DEBDMO CCn1ncnc1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000355602279 535904097 /nfs/dbraw/zinc/90/40/97/535904097.db2.gz UVFVSGHTWUIOQD-GHXNOFRVSA-N 1 1 301.350 2.399 20 5 DEBDMO CO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374676544 536710440 /nfs/dbraw/zinc/71/04/40/536710440.db2.gz HETNMDOJWMMNRZ-DOMZBBRYSA-N 1 1 321.377 2.423 20 5 DEBDMO Cc1nn(C[N@@H+](C)C[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000121243872 622567922 /nfs/dbraw/zinc/56/79/22/622567922.db2.gz ZATIPTGDDJFEOG-GFCCVEGCSA-N 1 1 304.350 2.179 20 5 DEBDMO CCCCC[N@@H+](CCO)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891573839 624481784 /nfs/dbraw/zinc/48/17/84/624481784.db2.gz TUEBDJLQZSMKBB-UHFFFAOYSA-N 1 1 312.366 2.294 20 5 DEBDMO COc1c(O)ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000891669316 624523063 /nfs/dbraw/zinc/52/30/63/624523063.db2.gz BZIOURPEDKKAMS-LBPRGKRZSA-N 1 1 323.393 2.083 20 5 DEBDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892180824 624822692 /nfs/dbraw/zinc/82/26/92/624822692.db2.gz RHYRAWVPTKRYTQ-LLVKDONJSA-N 1 1 310.350 2.167 20 5 DEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000161289911 624891713 /nfs/dbraw/zinc/89/17/13/624891713.db2.gz WECXYXMKQOUEQZ-JTQLQIEISA-N 1 1 320.324 2.305 20 5 DEBDMO COCC[N@@H+](C)CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892560181 625151161 /nfs/dbraw/zinc/15/11/61/625151161.db2.gz SWTYKGMVRGZUNY-UHFFFAOYSA-N 1 1 315.801 2.306 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000836202110 650062885 /nfs/dbraw/zinc/06/28/85/650062885.db2.gz IQHJENRQRPJSRT-RNCFNFMXSA-N 1 1 324.768 2.416 20 5 DEBDMO O=C(NC1CC[NH+](CCC2CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789253 635793949 /nfs/dbraw/zinc/79/39/49/635793949.db2.gz TXBJFGVOSTWEBS-HZPDHXFCSA-N 1 1 323.437 2.203 20 5 DEBDMO C[C@H](NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000894016067 636093130 /nfs/dbraw/zinc/09/31/30/636093130.db2.gz JCIRAERFQINHMT-HUBLWGQQSA-N 1 1 318.377 2.001 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000894292473 636724243 /nfs/dbraw/zinc/72/42/43/636724243.db2.gz DAGYIERTGWQGAS-JSGCOSHPSA-N 1 1 322.361 2.452 20 5 DEBDMO CCOC1CC([N@@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000894510830 637080391 /nfs/dbraw/zinc/08/03/91/637080391.db2.gz MWAXRVZLGUHJGP-UHFFFAOYSA-N 1 1 310.350 2.308 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000928451002 637262249 /nfs/dbraw/zinc/26/22/49/637262249.db2.gz JPHAIFLDUZUQRL-SKDRFNHKSA-N 1 1 309.391 2.139 20 5 DEBDMO O=[N+]([O-])c1cnc(N[C@@H]2Cc3c[nH+]cn3C2)c(C(F)(F)F)c1 ZINC000894995370 637368466 /nfs/dbraw/zinc/36/84/66/637368466.db2.gz CAZRJWNKEPGULS-SSDOTTSWSA-N 1 1 313.239 2.242 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000895092287 637542031 /nfs/dbraw/zinc/54/20/31/637542031.db2.gz OVPIITXKZIQIPY-UONOGXRCSA-N 1 1 306.322 2.176 20 5 DEBDMO C[C@H](Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895244972 637840460 /nfs/dbraw/zinc/84/04/60/637840460.db2.gz BNORTICFXOVUIV-IINYFYTJSA-N 1 1 312.801 2.294 20 5 DEBDMO Cc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000895244989 637840829 /nfs/dbraw/zinc/84/08/29/637840829.db2.gz BONSFJGOSAKUOD-XHDPSFHLSA-N 1 1 310.373 2.089 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839392548 637865504 /nfs/dbraw/zinc/86/55/04/637865504.db2.gz JXJVYXYSXUJOIN-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839392548 637865511 /nfs/dbraw/zinc/86/55/11/637865511.db2.gz JXJVYXYSXUJOIN-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1NCc1cc(N(C)C)cc[nH+]1 ZINC000895471417 638047931 /nfs/dbraw/zinc/04/79/31/638047931.db2.gz PIJDYFPWQRDOCP-UHFFFAOYSA-N 1 1 304.354 2.193 20 5 DEBDMO CCOC(=O)c1ccnc(NCC[N@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000742426970 638071878 /nfs/dbraw/zinc/07/18/78/638071878.db2.gz DNPMUGOCHKAYRE-LLVKDONJSA-N 1 1 322.365 2.063 20 5 DEBDMO CCOC(=O)c1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895739056 638170337 /nfs/dbraw/zinc/17/03/37/638170337.db2.gz ASHCZVOYCWDXRV-MFKMUULPSA-N 1 1 307.350 2.276 20 5 DEBDMO CCOC(=O)c1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000895739054 638171021 /nfs/dbraw/zinc/17/10/21/638171021.db2.gz ASHCZVOYCWDXRV-GWCFXTLKSA-N 1 1 307.350 2.276 20 5 DEBDMO COC(=O)c1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000895739914 638172144 /nfs/dbraw/zinc/17/21/44/638172144.db2.gz JVUZMTSKBKWONZ-GWCFXTLKSA-N 1 1 307.350 2.194 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895982633 638295770 /nfs/dbraw/zinc/29/57/70/638295770.db2.gz QINZDWDCSYYOHB-JOHMGYAOSA-N 1 1 324.402 2.163 20 5 DEBDMO Cc1ccc(CNC(=O)NCC[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000896219960 638423335 /nfs/dbraw/zinc/42/33/35/638423335.db2.gz KGIVNDONDXYRJG-CYBMUJFWSA-N 1 1 320.393 2.187 20 5 DEBDMO CCOc1cccc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000896912947 639068277 /nfs/dbraw/zinc/06/82/77/639068277.db2.gz LJBKKFAVXPOCQU-BLLLJJGKSA-N 1 1 305.378 2.381 20 5 DEBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c2ccc([N+](=O)[O-])cc12 ZINC000752812868 639222631 /nfs/dbraw/zinc/22/26/31/639222631.db2.gz OGNDLOKCKCVGDG-WCQYABFASA-N 1 1 318.377 2.446 20 5 DEBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000755148938 639522951 /nfs/dbraw/zinc/52/29/51/639522951.db2.gz RRUZZMRQPOUPDF-GAJOTYCWSA-N 1 1 315.373 2.351 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1C ZINC000168654232 639524546 /nfs/dbraw/zinc/52/45/46/639524546.db2.gz PHIXTPHEVFXRRQ-ONGXEEELSA-N 1 1 311.769 2.461 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000839626157 639774138 /nfs/dbraw/zinc/77/41/38/639774138.db2.gz OYPWUVXFDORIRT-HZPDHXFCSA-N 1 1 306.362 2.129 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000839626157 639774142 /nfs/dbraw/zinc/77/41/42/639774142.db2.gz OYPWUVXFDORIRT-HZPDHXFCSA-N 1 1 306.362 2.129 20 5 DEBDMO Cc1nn(C[N@H+]2CCOC[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761290926 640295129 /nfs/dbraw/zinc/29/51/29/640295129.db2.gz FXQALIWDCOWBMN-NSHDSACASA-N 1 1 304.350 2.179 20 5 DEBDMO Cc1nn(C[N@@H+]2CCOC[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761290926 640295132 /nfs/dbraw/zinc/29/51/32/640295132.db2.gz FXQALIWDCOWBMN-NSHDSACASA-N 1 1 304.350 2.179 20 5 DEBDMO C[C@@H](C(=O)OCC[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000763394173 640538140 /nfs/dbraw/zinc/53/81/40/640538140.db2.gz PYZIFOQQQLQTLG-GFCCVEGCSA-N 1 1 324.402 2.290 20 5 DEBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897726913 640912036 /nfs/dbraw/zinc/91/20/36/640912036.db2.gz XZBOZYAAJMXLTE-HNNXBMFYSA-N 1 1 319.405 2.469 20 5 DEBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000767627659 641002290 /nfs/dbraw/zinc/00/22/90/641002290.db2.gz LGIHEWNQPRVHHV-UHFFFAOYSA-N 1 1 307.281 2.486 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000772014421 641587000 /nfs/dbraw/zinc/58/70/00/641587000.db2.gz SLENDSREJROKCB-UHFFFAOYSA-N 1 1 303.318 2.194 20 5 DEBDMO CO[C@@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963145 642326211 /nfs/dbraw/zinc/32/62/11/642326211.db2.gz HNAUMZQAZPLVCX-OAHLLOKOSA-N 1 1 302.334 2.137 20 5 DEBDMO CO[C@@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963145 642326219 /nfs/dbraw/zinc/32/62/19/642326219.db2.gz HNAUMZQAZPLVCX-OAHLLOKOSA-N 1 1 302.334 2.137 20 5 DEBDMO C[C@H](CO)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000805751708 643049873 /nfs/dbraw/zinc/04/98/73/643049873.db2.gz OLYYYHIZFRELEE-WBMJQRKESA-N 1 1 308.378 2.254 20 5 DEBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](C)C1 ZINC000903015817 643217552 /nfs/dbraw/zinc/21/75/52/643217552.db2.gz MXHKWFYYCWQOSK-NSHDSACASA-N 1 1 310.329 2.292 20 5 DEBDMO Cc1nn(C[N@@H+]2CCSC[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000792722020 644143035 /nfs/dbraw/zinc/14/30/35/644143035.db2.gz IGVQNSYVQGQXFC-JTQLQIEISA-N 1 1 321.406 2.290 20 5 DEBDMO Cc1cc(F)cc(C(=O)NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000794119790 644361223 /nfs/dbraw/zinc/36/12/23/644361223.db2.gz SZBUCNRUQQHHHB-UHFFFAOYSA-N 1 1 307.325 2.034 20 5 DEBDMO Cc1cc(F)cc(C(=O)NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000794119790 644361228 /nfs/dbraw/zinc/36/12/28/644361228.db2.gz SZBUCNRUQQHHHB-UHFFFAOYSA-N 1 1 307.325 2.034 20 5 DEBDMO COc1ccc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000907298137 644504398 /nfs/dbraw/zinc/50/43/98/644504398.db2.gz BUFQZGIJNVXDPY-LLVKDONJSA-N 1 1 307.350 2.415 20 5 DEBDMO COc1ccc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000907298137 644504401 /nfs/dbraw/zinc/50/44/01/644504401.db2.gz BUFQZGIJNVXDPY-LLVKDONJSA-N 1 1 307.350 2.415 20 5 DEBDMO CCC[N@H+](CCN1CCCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796380179 644727763 /nfs/dbraw/zinc/72/77/63/644727763.db2.gz QJXBZJNJXALNFR-QGZVFWFLSA-N 1 1 321.421 2.436 20 5 DEBDMO CCC[N@@H+](CCN1CCCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796380179 644727767 /nfs/dbraw/zinc/72/77/67/644727767.db2.gz QJXBZJNJXALNFR-QGZVFWFLSA-N 1 1 321.421 2.436 20 5 DEBDMO C[N@@H+](CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000908359816 644833343 /nfs/dbraw/zinc/83/33/43/644833343.db2.gz GMKYVBIFNSPEER-UHFFFAOYSA-N 1 1 305.378 2.430 20 5 DEBDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cn2nccc2[N+](=O)[O-])C1 ZINC000799155256 645134279 /nfs/dbraw/zinc/13/42/79/645134279.db2.gz HJYHPTFTYKKFAO-RFGFWPKPSA-N 1 1 308.382 2.010 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NZRRGZHTXOYTMJ-OAHLLOKOSA-N 1 1 309.410 2.338 20 5 DEBDMO CCCN(C)CC(C)(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852716565 652442904 /nfs/dbraw/zinc/44/29/04/652442904.db2.gz NZRRGZHTXOYTMJ-OAHLLOKOSA-N 1 1 309.410 2.338 20 5 DEBDMO Cc1noc(COC(=O)[C@@H](C)[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000853898781 652618755 /nfs/dbraw/zinc/61/87/55/652618755.db2.gz HDUZQYXCAMIVMB-LLVKDONJSA-N 1 1 311.338 2.199 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928435569 693778625 /nfs/dbraw/zinc/77/86/25/693778625.db2.gz HLQPQZVLXWBEPU-CHWSQXEVSA-N 1 1 305.378 2.342 20 5 DEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928445114 693780518 /nfs/dbraw/zinc/78/05/18/693780518.db2.gz WYYSZJXDUIWFIE-KOLCDFICSA-N 1 1 311.769 2.379 20 5 DEBDMO CSC[C@@H]1CCC[N@@H+]1Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000130899086 684194178 /nfs/dbraw/zinc/19/41/78/684194178.db2.gz UVZAZYXCJPAQCN-NSHDSACASA-N 1 1 323.374 2.288 20 5 DEBDMO CSC[C@@H]1CCC[N@H+]1Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000130899086 684194182 /nfs/dbraw/zinc/19/41/82/684194182.db2.gz UVZAZYXCJPAQCN-NSHDSACASA-N 1 1 323.374 2.288 20 5 DEBDMO C[N@H+](CCOc1ccc(Br)cc1)CC[N+](=O)[O-] ZINC000929237030 693922258 /nfs/dbraw/zinc/92/22/58/693922258.db2.gz HNHDCSZFBAEUJG-UHFFFAOYSA-N 1 1 303.156 2.036 20 5 DEBDMO C[N@@H+](CCOc1ccc(Br)cc1)CC[N+](=O)[O-] ZINC000929237030 693922263 /nfs/dbraw/zinc/92/22/63/693922263.db2.gz HNHDCSZFBAEUJG-UHFFFAOYSA-N 1 1 303.156 2.036 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865476235 687226614 /nfs/dbraw/zinc/22/66/14/687226614.db2.gz KRNILZULPAWRCA-NSHDSACASA-N 1 1 311.357 2.368 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000865925687 687381170 /nfs/dbraw/zinc/38/11/70/687381170.db2.gz LJAZAJJSYFTRJG-GFCCVEGCSA-N 1 1 303.366 2.163 20 5 DEBDMO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CCC[N@H+](CCF)C3)c21 ZINC000865927346 687381825 /nfs/dbraw/zinc/38/18/25/687381825.db2.gz ALXWKVSVGZGIFO-NSHDSACASA-N 1 1 319.340 2.384 20 5 DEBDMO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CCC[N@@H+](CCF)C3)c21 ZINC000865927346 687381828 /nfs/dbraw/zinc/38/18/28/687381828.db2.gz ALXWKVSVGZGIFO-NSHDSACASA-N 1 1 319.340 2.384 20 5 DEBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000866058584 687427254 /nfs/dbraw/zinc/42/72/54/687427254.db2.gz CGMBVNFZRGOQJO-UHFFFAOYSA-N 1 1 320.393 2.024 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H](O)C3(O)CCC3)C2)cc1 ZINC000930635882 694207233 /nfs/dbraw/zinc/20/72/33/694207233.db2.gz AVWALMVOHSAYEG-ZBFHGGJFSA-N 1 1 320.389 2.050 20 5 DEBDMO CN(CC1CCCC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870875578 688674833 /nfs/dbraw/zinc/67/48/33/688674833.db2.gz QUTHCENXDALRFF-MRXNPFEDSA-N 1 1 305.378 2.417 20 5 DEBDMO CC[C@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCS1 ZINC000870895162 688680552 /nfs/dbraw/zinc/68/05/52/688680552.db2.gz XMDHLNVZDQVAAO-ZFWWWQNUSA-N 1 1 323.418 2.123 20 5 DEBDMO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017949 688913865 /nfs/dbraw/zinc/91/38/65/688913865.db2.gz HJMHNRURXBWHRY-JTQLQIEISA-N 1 1 321.308 2.408 20 5 DEBDMO C[C@H](NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035674 688917235 /nfs/dbraw/zinc/91/72/35/688917235.db2.gz XZLOCLVFPSPASG-RWMBFGLXSA-N 1 1 323.368 2.248 20 5 DEBDMO CCS(=O)(=O)CCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872078242 688922744 /nfs/dbraw/zinc/92/27/44/688922744.db2.gz AINZJSKLSFOJQS-SNVBAGLBSA-N 1 1 318.370 2.209 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000930861236 694257062 /nfs/dbraw/zinc/25/70/62/694257062.db2.gz BWSONVWZPHJQLQ-DOMZBBRYSA-N 1 1 318.377 2.379 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000872781162 689091689 /nfs/dbraw/zinc/09/16/89/689091689.db2.gz PPGQMHYLYVMECT-UONOGXRCSA-N 1 1 301.350 2.144 20 5 DEBDMO C[C@@H]([NH2+]Cc1cnc(N(C)C)nc1)c1ccccc1[N+](=O)[O-] ZINC000873184591 689178480 /nfs/dbraw/zinc/17/84/80/689178480.db2.gz UCMBYQUZSIFFML-LLVKDONJSA-N 1 1 301.350 2.302 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000873840541 689316904 /nfs/dbraw/zinc/31/69/04/689316904.db2.gz SUIBBUVIYAOPTA-ZDUSSCGKSA-N 1 1 305.378 2.426 20 5 DEBDMO Cc1sc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874842902 689514052 /nfs/dbraw/zinc/51/40/52/689514052.db2.gz KOJUNHMVQQKQEQ-WDEREUQCSA-N 1 1 309.391 2.273 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874843204 689514724 /nfs/dbraw/zinc/51/47/24/689514724.db2.gz LXXGODKDPVAJIE-CABCVRRESA-N 1 1 303.362 2.212 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000874850385 689519438 /nfs/dbraw/zinc/51/94/38/689519438.db2.gz RTIIYEWBHKPSLC-HPRJGHKQSA-N 1 1 315.373 2.303 20 5 DEBDMO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000876764805 689930216 /nfs/dbraw/zinc/93/02/16/689930216.db2.gz RRTNYEBIAMHJPN-OAHLLOKOSA-N 1 1 318.377 2.192 20 5 DEBDMO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000876764805 689930219 /nfs/dbraw/zinc/93/02/19/689930219.db2.gz RRTNYEBIAMHJPN-OAHLLOKOSA-N 1 1 318.377 2.192 20 5 DEBDMO COC[C@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000877464499 690121215 /nfs/dbraw/zinc/12/12/15/690121215.db2.gz PCEYECCKVLJUQY-GXTWGEPZSA-N 1 1 308.378 2.447 20 5 DEBDMO COC[C@H]1C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000877464499 690121218 /nfs/dbraw/zinc/12/12/18/690121218.db2.gz PCEYECCKVLJUQY-GXTWGEPZSA-N 1 1 308.378 2.447 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000877466540 690121594 /nfs/dbraw/zinc/12/15/94/690121594.db2.gz MFMFHDBGGRKQSJ-ZENOOKHLSA-N 1 1 317.389 2.297 20 5 DEBDMO CO[C@@]1(CO)CCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877624838 690171348 /nfs/dbraw/zinc/17/13/48/690171348.db2.gz TVFOTAGTENGFBD-INIZCTEOSA-N 1 1 308.378 2.185 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000931262349 694351246 /nfs/dbraw/zinc/35/12/46/694351246.db2.gz UFHIAYHTIPELQZ-JQWIXIFHSA-N 1 1 322.365 2.208 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931235715 694346097 /nfs/dbraw/zinc/34/60/97/694346097.db2.gz GATAEJUAFIQNMO-GJZGRUSLSA-N 1 1 314.345 2.020 20 5 DEBDMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000877834946 690246557 /nfs/dbraw/zinc/24/65/57/690246557.db2.gz BQMYKINEEHKPBF-CYBMUJFWSA-N 1 1 322.361 2.054 20 5 DEBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)CC1(O)CCCC1)C2 ZINC000878303434 690374093 /nfs/dbraw/zinc/37/40/93/690374093.db2.gz QPMTWRHVYQINRE-AWEZNQCLSA-N 1 1 320.389 2.009 20 5 DEBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)CC1(O)CCCC1)C2 ZINC000878303434 690374094 /nfs/dbraw/zinc/37/40/94/690374094.db2.gz QPMTWRHVYQINRE-AWEZNQCLSA-N 1 1 320.389 2.009 20 5 DEBDMO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000878712637 690483062 /nfs/dbraw/zinc/48/30/62/690483062.db2.gz ZIOMCGOTIMKYFC-CYBMUJFWSA-N 1 1 301.350 2.319 20 5 DEBDMO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000878712637 690483065 /nfs/dbraw/zinc/48/30/65/690483065.db2.gz ZIOMCGOTIMKYFC-CYBMUJFWSA-N 1 1 301.350 2.319 20 5 DEBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000878712637 690483069 /nfs/dbraw/zinc/48/30/69/690483069.db2.gz ZIOMCGOTIMKYFC-CYBMUJFWSA-N 1 1 301.350 2.319 20 5 DEBDMO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000878712637 690483071 /nfs/dbraw/zinc/48/30/71/690483071.db2.gz ZIOMCGOTIMKYFC-CYBMUJFWSA-N 1 1 301.350 2.319 20 5 DEBDMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000878712637 690483074 /nfs/dbraw/zinc/48/30/74/690483074.db2.gz ZIOMCGOTIMKYFC-CYBMUJFWSA-N 1 1 301.350 2.319 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879583735 690680742 /nfs/dbraw/zinc/68/07/42/690680742.db2.gz ZPRYLQAPCLPGFX-DOMZBBRYSA-N 1 1 305.378 2.129 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880133063 690811931 /nfs/dbraw/zinc/81/19/31/690811931.db2.gz ZFIFIWZSDCGMSJ-HUUCEWRRSA-N 1 1 305.378 2.272 20 5 DEBDMO CC(C)(O)[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000880143823 690820716 /nfs/dbraw/zinc/82/07/16/690820716.db2.gz QIXPOZMWFOLWON-CYBMUJFWSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880144284 690821258 /nfs/dbraw/zinc/82/12/58/690821258.db2.gz BJINPNUBTHYPIS-RYUDHWBXSA-N 1 1 321.377 2.015 20 5 DEBDMO COCC1([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000880187435 690834195 /nfs/dbraw/zinc/83/41/95/690834195.db2.gz FXRKIKNKSVOKJB-UHFFFAOYSA-N 1 1 321.377 2.059 20 5 DEBDMO COCC1([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000880187435 690834197 /nfs/dbraw/zinc/83/41/97/690834197.db2.gz FXRKIKNKSVOKJB-UHFFFAOYSA-N 1 1 321.377 2.059 20 5 DEBDMO COCC1([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCC1 ZINC000880186906 690834387 /nfs/dbraw/zinc/83/43/87/690834387.db2.gz UZDUMNIVHCWACU-UHFFFAOYSA-N 1 1 322.361 2.462 20 5 DEBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000882397001 691275355 /nfs/dbraw/zinc/27/53/55/691275355.db2.gz JLWCTRVDJBXQLO-INIZCTEOSA-N 1 1 303.362 2.329 20 5 DEBDMO C[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000882395641 691275464 /nfs/dbraw/zinc/27/54/64/691275464.db2.gz VYUUURLOJXFFKE-LLVKDONJSA-N 1 1 308.357 2.440 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCCn4nncc4C3)c2c1 ZINC000884626187 691775245 /nfs/dbraw/zinc/77/52/45/691775245.db2.gz DAETXPWSFOXLED-UHFFFAOYSA-N 1 1 310.317 2.145 20 5 DEBDMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886035582 691989000 /nfs/dbraw/zinc/98/90/00/691989000.db2.gz OYWZFWNHSZBPRI-LBPRGKRZSA-N 1 1 307.350 2.153 20 5 DEBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886035582 691989001 /nfs/dbraw/zinc/98/90/01/691989001.db2.gz OYWZFWNHSZBPRI-LBPRGKRZSA-N 1 1 307.350 2.153 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c2c(c1)COCO2 ZINC000886555449 692108549 /nfs/dbraw/zinc/10/85/49/692108549.db2.gz SKABMEWCKWSOTE-BETUJISGSA-N 1 1 322.386 2.256 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886561525 692110151 /nfs/dbraw/zinc/11/01/51/692110151.db2.gz APUCYTBEKDXREM-TXEJJXNPSA-N 1 1 321.402 2.137 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000886821880 692200537 /nfs/dbraw/zinc/20/05/37/692200537.db2.gz IZAVFBZCAOHXRU-BMFZPTHFSA-N 1 1 306.362 2.129 20 5 DEBDMO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cccnc1[N+](=O)[O-] ZINC000887093592 692271088 /nfs/dbraw/zinc/27/10/88/692271088.db2.gz PBFNRHMYBKTKCT-UHFFFAOYSA-N 1 1 315.329 2.393 20 5 DEBDMO CC(C)C(=O)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048685119 692677387 /nfs/dbraw/zinc/67/73/87/692677387.db2.gz LSDNWGOWGLQZFF-GASCZTMLSA-N 1 1 317.389 2.141 20 5 DEBDMO CC1(C)CC[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000890075145 692854232 /nfs/dbraw/zinc/85/42/32/692854232.db2.gz BGXGAUBSEQMCHD-UHFFFAOYSA-N 1 1 309.341 2.196 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000896693993 693008846 /nfs/dbraw/zinc/00/88/46/693008846.db2.gz QNINHBNZSRILQC-AWEZNQCLSA-N 1 1 305.378 2.126 20 5 DEBDMO CCOCCOCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000927084661 693551770 /nfs/dbraw/zinc/55/17/70/693551770.db2.gz BCZJBKDLYHTYCH-NSHDSACASA-N 1 1 300.330 2.438 20 5 DEBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CC[C@@H](CF)C1 ZINC001332150963 1149826353 /nfs/dbraw/zinc/82/63/53/1149826353.db2.gz JFDKTISYPPHQSM-WFASDCNBSA-N 1 1 321.352 2.160 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC001348565090 1151170568 /nfs/dbraw/zinc/17/05/68/1151170568.db2.gz LFRLGHLRMXATPH-IVZWLZJFSA-N 1 1 307.379 2.056 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001350076102 1151321927 /nfs/dbraw/zinc/32/19/27/1151321927.db2.gz BCPXJDRXJTTXEO-NTZNESFSSA-N 1 1 321.352 2.112 20 5 DEBDMO Cn1ncc([N+](=O)[O-])c1NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC001351974363 1151641900 /nfs/dbraw/zinc/64/19/00/1151641900.db2.gz FWHISTNKFNLGKE-UHFFFAOYSA-N 1 1 307.329 2.011 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001347505671 1151073342 /nfs/dbraw/zinc/07/33/42/1151073342.db2.gz ZSCVELQMNLMDER-CYBMUJFWSA-N 1 1 323.418 2.287 20 5 DEBDMO C[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@@H](C)C[N@H+]1C ZINC001164632242 719190813 /nfs/dbraw/zinc/19/08/13/719190813.db2.gz DQDPTGHNMVOJOA-MNOVXSKESA-N 1 1 301.350 2.067 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001164631797 719250714 /nfs/dbraw/zinc/25/07/14/719250714.db2.gz GDYIVAJNLUKVLF-QWRGUYRKSA-N 1 1 301.350 2.067 20 5 DEBDMO O=[N+]([O-])c1cc2cc[nH]c2c(NCC2([NH+]3CCCC3)COC2)c1 ZINC001168443977 782384826 /nfs/dbraw/zinc/38/48/26/782384826.db2.gz CHICSDPURGAUHK-UHFFFAOYSA-N 1 1 316.361 2.353 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001136452587 790337232 /nfs/dbraw/zinc/33/72/32/790337232.db2.gz CYVDFKDOZUEZOC-LBPRGKRZSA-N 1 1 320.393 2.027 20 5 DEBDMO COc1cc(COC2C[NH+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC001223911154 780651785 /nfs/dbraw/zinc/65/17/85/780651785.db2.gz YVGQUNBZEQMVEO-UHFFFAOYSA-N 1 1 310.350 2.221 20 5 DEBDMO C[N@@H+]1CCc2c(NC[C@H]3C[C@@](C)(O)C3)ccc([N+](=O)[O-])c2C1 ZINC001168344028 780860736 /nfs/dbraw/zinc/86/07/36/780860736.db2.gz HXOYTHOYCKVNFH-AITUWYQGSA-N 1 1 305.378 2.156 20 5 DEBDMO C[N@H+]1CCc2c(NC[C@H]3C[C@@](C)(O)C3)ccc([N+](=O)[O-])c2C1 ZINC001168344028 780860741 /nfs/dbraw/zinc/86/07/41/780860741.db2.gz HXOYTHOYCKVNFH-AITUWYQGSA-N 1 1 305.378 2.156 20 5 DEBDMO O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363123 784622352 /nfs/dbraw/zinc/62/23/52/784622352.db2.gz CQSBPMJDCIEJAT-KLHDSHLOSA-N 1 1 323.437 2.106 20 5 DEBDMO O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363304 784622663 /nfs/dbraw/zinc/62/26/63/784622663.db2.gz NBBQBBGVYGSHED-KLHDSHLOSA-N 1 1 323.437 2.106 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)C1 ZINC001169011978 785003563 /nfs/dbraw/zinc/00/35/63/785003563.db2.gz ODOWSVFQMPEDBX-WOPDTQHZSA-N 1 1 310.316 2.211 20 5 DEBDMO CN1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC001169028483 785007805 /nfs/dbraw/zinc/00/78/05/785007805.db2.gz SMPFDJUEEBJRNQ-DJIMGWMZSA-N 1 1 303.406 2.421 20 5 DEBDMO CCc1noc([C@@H]2CCC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169038897 785012823 /nfs/dbraw/zinc/01/28/23/785012823.db2.gz LEDSRKCNGYTWCT-YNEHKIRRSA-N 1 1 308.382 2.257 20 5 DEBDMO O=C([C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)N1CCCCC1 ZINC001169021901 785016704 /nfs/dbraw/zinc/01/67/04/785016704.db2.gz AZSNHMSAXURYHP-BZUAXINKSA-N 1 1 323.437 2.156 20 5 DEBDMO Cc1cncnc1O[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169055814 785024293 /nfs/dbraw/zinc/02/42/93/785024293.db2.gz QKTJHTFWVKIPMQ-SOUVJXGZSA-N 1 1 320.393 2.074 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC001170329569 786911269 /nfs/dbraw/zinc/91/12/69/786911269.db2.gz RPOAMPSKIKTFCS-JSGCOSHPSA-N 1 1 308.378 2.381 20 5 DEBDMO N[C@@H](CCC[NH3+])Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001170897693 789643688 /nfs/dbraw/zinc/64/36/88/789643688.db2.gz IYRQEMDSFHVESZ-CQSZACIVSA-N 1 1 301.350 2.092 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001171936554 793267088 /nfs/dbraw/zinc/26/70/88/793267088.db2.gz CQHYCMGLIVVCEI-OSAQELSMSA-N 1 1 306.362 2.196 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H](F)C[C@H]1CO)CC2 ZINC001172910414 793542190 /nfs/dbraw/zinc/54/21/90/793542190.db2.gz ZFHRLVGNXQORBX-LZWOXQAQSA-N 1 1 308.353 2.247 20 5 DEBDMO COC[C@@H]1CC[N@@H+]1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192436 793623644 /nfs/dbraw/zinc/62/36/44/793623644.db2.gz IAVUONXNMHXOJI-QWRGUYRKSA-N 1 1 312.341 2.394 20 5 DEBDMO COC[C@@H]1CC[N@H+]1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192436 793623651 /nfs/dbraw/zinc/62/36/51/793623651.db2.gz IAVUONXNMHXOJI-QWRGUYRKSA-N 1 1 312.341 2.394 20 5 DEBDMO COCCC1([NH3+])CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173218116 793635520 /nfs/dbraw/zinc/63/55/20/793635520.db2.gz BFSVLLVUBUBJMZ-AWEZNQCLSA-N 1 1 321.421 2.356 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001173226672 793642708 /nfs/dbraw/zinc/64/27/08/793642708.db2.gz ROBNPDKQCLMTHQ-GUYCJALGSA-N 1 1 317.389 2.128 20 5 DEBDMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC12CC2 ZINC001173235994 793647797 /nfs/dbraw/zinc/64/77/97/793647797.db2.gz DGYALCDKEPGGLQ-WFASDCNBSA-N 1 1 318.373 2.411 20 5 DEBDMO Cc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001116285845 794949063 /nfs/dbraw/zinc/94/90/63/794949063.db2.gz JWOBUIRYCKJLMI-UHFFFAOYSA-N 1 1 314.345 2.469 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001119448931 795303765 /nfs/dbraw/zinc/30/37/65/795303765.db2.gz UOZGICYLZDISMJ-ZWNOBZJWSA-N 1 1 322.340 2.292 20 5 DEBDMO CN(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001120609788 795497956 /nfs/dbraw/zinc/49/79/56/795497956.db2.gz GFYKQLMDAVNFKI-OWCLPIDISA-N 1 1 319.405 2.091 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001120803751 795534233 /nfs/dbraw/zinc/53/42/33/795534233.db2.gz DUVGYGVCRSTCMH-FRRDWIJNSA-N 1 1 319.409 2.414 20 5 DEBDMO CCc1ccc(C(=O)N[C@H]2C[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC001156591487 798036968 /nfs/dbraw/zinc/03/69/68/798036968.db2.gz WAIRUNLIAZIOJK-AWEZNQCLSA-N 1 1 305.378 2.227 20 5 DEBDMO CC[N@H+]1CCN(c2nc(C)cc(OC)c2[N+](=O)[O-])C(C)(C)C1 ZINC001158562898 798430020 /nfs/dbraw/zinc/43/00/20/798430020.db2.gz LZQSZDAEIAIJFT-UHFFFAOYSA-N 1 1 308.382 2.227 20 5 DEBDMO COc1cc(C[NH2+]C[C@@H](C)N2CCCCC2)c([N+](=O)[O-])cc1O ZINC001199609497 798506354 /nfs/dbraw/zinc/50/63/54/798506354.db2.gz TZCCDKOPCKUNEE-GFCCVEGCSA-N 1 1 323.393 2.273 20 5 DEBDMO COc1nc(NCC[C@H]2CC[NH2+]CC2(F)F)ccc1[N+](=O)[O-] ZINC001162811349 799182167 /nfs/dbraw/zinc/18/21/67/799182167.db2.gz WSWNMMCSCFUIPY-SECBINFHSA-N 1 1 316.308 2.045 20 5 DEBDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000932639244 799872141 /nfs/dbraw/zinc/87/21/41/799872141.db2.gz NYGXWTYFLDSVEL-ZDUSSCGKSA-N 1 1 322.361 2.379 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOC[C@@H]2CC2CC2)c1 ZINC000933212009 800041317 /nfs/dbraw/zinc/04/13/17/800041317.db2.gz UQZRTOMRBZMUQX-JKSUJKDBSA-N 1 1 306.362 2.129 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOC[C@@H]2CC2CC2)c1 ZINC000933212009 800041323 /nfs/dbraw/zinc/04/13/23/800041323.db2.gz UQZRTOMRBZMUQX-JKSUJKDBSA-N 1 1 306.362 2.129 20 5 DEBDMO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000933290213 800062457 /nfs/dbraw/zinc/06/24/57/800062457.db2.gz PKBPVCXVMZLHDY-CYBMUJFWSA-N 1 1 309.341 2.128 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000933490771 800109847 /nfs/dbraw/zinc/10/98/47/800109847.db2.gz FVBCDGWZWUJJPI-XABYNWHXSA-N 1 1 317.389 2.297 20 5 DEBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000933756865 800178590 /nfs/dbraw/zinc/17/85/90/800178590.db2.gz ZCOZPKUCHQVCDJ-NHYWBVRUSA-N 1 1 323.780 2.336 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934114102 800264262 /nfs/dbraw/zinc/26/42/62/800264262.db2.gz QMPPFEKFEOHUFY-UONOGXRCSA-N 1 1 307.350 2.033 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934119289 800266492 /nfs/dbraw/zinc/26/64/92/800266492.db2.gz OKPHEROXCHHBOS-DDTOSNHZSA-N 1 1 307.350 2.031 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934119289 800266493 /nfs/dbraw/zinc/26/64/93/800266493.db2.gz OKPHEROXCHHBOS-DDTOSNHZSA-N 1 1 307.350 2.031 20 5 DEBDMO CC[N@@H+]1CCC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001205551289 800374756 /nfs/dbraw/zinc/37/47/56/800374756.db2.gz RGSBDLXWTAQJOO-NSHDSACASA-N 1 1 303.366 2.045 20 5 DEBDMO CC[N@H+]1CCC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001205551289 800374762 /nfs/dbraw/zinc/37/47/62/800374762.db2.gz RGSBDLXWTAQJOO-NSHDSACASA-N 1 1 303.366 2.045 20 5 DEBDMO CC[N@@H+]1CCC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001205551288 800375245 /nfs/dbraw/zinc/37/52/45/800375245.db2.gz RGSBDLXWTAQJOO-LLVKDONJSA-N 1 1 303.366 2.045 20 5 DEBDMO CC[N@H+]1CCC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001205551288 800375252 /nfs/dbraw/zinc/37/52/52/800375252.db2.gz RGSBDLXWTAQJOO-LLVKDONJSA-N 1 1 303.366 2.045 20 5 DEBDMO C[N@H+]1CCC[C@@H](Oc2cc(Br)cnc2[N+](=O)[O-])C1 ZINC001229563228 801293009 /nfs/dbraw/zinc/29/30/09/801293009.db2.gz OAXXEKNLCDWVRP-SECBINFHSA-N 1 1 316.155 2.225 20 5 DEBDMO CC[N@H+]1CC[C@@H](Oc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001229958836 801342299 /nfs/dbraw/zinc/34/22/99/801342299.db2.gz WMGLINWOJCVYNG-LLVKDONJSA-N 1 1 308.334 2.163 20 5 DEBDMO C[C@H]1C[NH2+]CCC[C@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001217989466 802128865 /nfs/dbraw/zinc/12/88/65/802128865.db2.gz QTMYSNAUETWRRL-TVQRCGJNSA-N 1 1 318.333 2.011 20 5 DEBDMO c1ccc2nc3c(cccc3O[C@@H]3C[C@H]4CNCC[N@H+]4C3)nc2c1 ZINC001218105433 802142999 /nfs/dbraw/zinc/14/29/99/802142999.db2.gz PZPYBQLIEBXULA-UONOGXRCSA-N 1 1 320.396 2.208 20 5 DEBDMO c1ccc2nc3c(cccc3O[C@@H]3C[C@H]4CNCC[N@@H+]4C3)nc2c1 ZINC001218105433 802143003 /nfs/dbraw/zinc/14/30/03/802143003.db2.gz PZPYBQLIEBXULA-UONOGXRCSA-N 1 1 320.396 2.208 20 5 DEBDMO COC(=O)c1ccc(O[C@@H]2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC001234050061 802279180 /nfs/dbraw/zinc/27/91/80/802279180.db2.gz HBDIXUOZZXLYOT-LLVKDONJSA-N 1 1 308.334 2.245 20 5 DEBDMO CC[N@H+]1CCC[C@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226436584 803107554 /nfs/dbraw/zinc/10/75/54/803107554.db2.gz NMVDVHVFEJLQBM-LBPRGKRZSA-N 1 1 302.334 2.401 20 5 DEBDMO O=[N+]([O-])c1c(Cl)ccnc1OC1CC[NH+](CCF)CC1 ZINC001228014628 803307625 /nfs/dbraw/zinc/30/76/25/803307625.db2.gz NJMWVMRVVDWNON-UHFFFAOYSA-N 1 1 303.721 2.456 20 5 DEBDMO CC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001228978157 803437621 /nfs/dbraw/zinc/43/76/21/803437621.db2.gz VFXOSHQSVWAYBK-LLVKDONJSA-N 1 1 301.302 2.388 20 5 DEBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001331289967 1149411962 /nfs/dbraw/zinc/41/19/62/1149411962.db2.gz UHFMIGKMIKWVAX-VXGBXAGGSA-N 1 1 322.340 2.482 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC001350484212 1151362500 /nfs/dbraw/zinc/36/25/00/1151362500.db2.gz AIJYSYYTYOVEOB-MNOVXSKESA-N 1 1 319.365 2.105 20 5 DEBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC001350484212 1151362505 /nfs/dbraw/zinc/36/25/05/1151362505.db2.gz AIJYSYYTYOVEOB-MNOVXSKESA-N 1 1 319.365 2.105 20 5 DEBDMO Cc1nc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)ccc1[N+](=O)[O-] ZINC001524648810 1070010273 /nfs/dbraw/zinc/01/02/73/1070010273.db2.gz OBLSWKDUDRLZRQ-UHFFFAOYSA-N 1 1 324.300 2.131 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001526676835 1070335255 /nfs/dbraw/zinc/33/52/55/1070335255.db2.gz SUHNEIRGIRBVJK-GDLCADMTSA-N 1 1 304.350 2.057 20 5 DEBDMO Cc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(C)[nH+]1 ZINC001456044507 1057810160 /nfs/dbraw/zinc/81/01/60/1057810160.db2.gz VELKAULHUBQCSC-UHFFFAOYSA-N 1 1 306.297 2.312 20 5 DEBDMO CN(C)c1cc[nH+]c(CNc2c(Cl)cncc2[N+](=O)[O-])c1 ZINC001458599216 1058074199 /nfs/dbraw/zinc/07/41/99/1058074199.db2.gz AMBJKNPMPBFNSX-UHFFFAOYSA-N 1 1 307.741 2.138 20 5 DEBDMO CCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001499982096 1058413697 /nfs/dbraw/zinc/41/36/97/1058413697.db2.gz QBARJNPUAXDABX-ZIAGYGMSSA-N 1 1 311.426 2.203 20 5 DEBDMO C[NH+](C)Cc1cc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)no1 ZINC001534265857 1071940519 /nfs/dbraw/zinc/94/05/19/1071940519.db2.gz PUFOSVKMOMOVTN-UHFFFAOYSA-N 1 1 309.253 2.003 20 5 DEBDMO C[C@H](CNC(=O)CC[N@H+]1CC[C@@H](F)C1)c1ccccc1[N+](=O)[O-] ZINC001472148030 1060432811 /nfs/dbraw/zinc/43/28/11/1060432811.db2.gz ARSUCWIASQYMOJ-CHWSQXEVSA-N 1 1 323.368 2.248 20 5 DEBDMO C[C@@H](C(=O)N1CC[N@@H+](C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001472583494 1060543075 /nfs/dbraw/zinc/54/30/75/1060543075.db2.gz QRHDMXNPLHTQAZ-QWHCGFSZSA-N 1 1 317.389 2.393 20 5 DEBDMO C[C@@H](C(=O)N1CC[N@H+](C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001472583494 1060543098 /nfs/dbraw/zinc/54/30/98/1060543098.db2.gz QRHDMXNPLHTQAZ-QWHCGFSZSA-N 1 1 317.389 2.393 20 5 DEBDMO O=[N+]([O-])c1cnc2ccccc2c1N[C@H]1CCC[N@H+](CCF)C1 ZINC001472818412 1060587472 /nfs/dbraw/zinc/58/74/72/1060587472.db2.gz JBJZKQAQEDSJML-LBPRGKRZSA-N 1 1 318.352 2.411 20 5 DEBDMO O=[N+]([O-])c1cnc2ccccc2c1N[C@H]1CCC[N@@H+](CCF)C1 ZINC001472818412 1060587492 /nfs/dbraw/zinc/58/74/92/1060587492.db2.gz JBJZKQAQEDSJML-LBPRGKRZSA-N 1 1 318.352 2.411 20 5 DEBDMO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](O)C(F)F ZINC001474552696 1060891959 /nfs/dbraw/zinc/89/19/59/1060891959.db2.gz QICFUZNFSGZAAL-PRHODGIISA-N 1 1 315.276 2.230 20 5 DEBDMO Nc1[nH+]ccc2c1CN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC001613060320 1078116107 /nfs/dbraw/zinc/11/61/07/1078116107.db2.gz NZUOSFUDNDEYMK-UHFFFAOYSA-N 1 1 322.328 2.078 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001620627475 1078165546 /nfs/dbraw/zinc/16/55/46/1078165546.db2.gz YZUSLUDVNJHIDY-KNCOVGOOSA-N 1 1 302.378 2.244 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001629715786 1078324628 /nfs/dbraw/zinc/32/46/28/1078324628.db2.gz ZXQSPDAPCQVBJH-WFASDCNBSA-N 1 1 320.393 2.391 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+](C)C(C)C ZINC001629767453 1078326189 /nfs/dbraw/zinc/32/61/89/1078326189.db2.gz ASDNONXWIAQRED-UHFFFAOYSA-N 1 1 323.393 2.454 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001635648873 1078455548 /nfs/dbraw/zinc/45/55/48/1078455548.db2.gz LQHSIAQTIPJBAP-ZDUSSCGKSA-N 1 1 323.418 2.387 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001636535927 1078480157 /nfs/dbraw/zinc/48/01/57/1078480157.db2.gz UTJLHRYHDFOEGL-WDEREUQCSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001636535927 1078480160 /nfs/dbraw/zinc/48/01/60/1078480160.db2.gz UTJLHRYHDFOEGL-WDEREUQCSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC001579735100 1067412662 /nfs/dbraw/zinc/41/26/62/1067412662.db2.gz XFIZKLSLNTZSJK-GXTWGEPZSA-N 1 1 307.394 2.414 20 5 DEBDMO CC[C@@H](F)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001518879444 1069019992 /nfs/dbraw/zinc/01/99/92/1069019992.db2.gz KNCCVGSXEOTZGL-UONOGXRCSA-N 1 1 310.325 2.460 20 5 DEBDMO CC[C@@H](F)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001518879444 1069020008 /nfs/dbraw/zinc/02/00/08/1069020008.db2.gz KNCCVGSXEOTZGL-UONOGXRCSA-N 1 1 310.325 2.460 20 5 DEBDMO Cc1nc(CC2CC[NH+](Cc3onc(C)c3[N+](=O)[O-])CC2)no1 ZINC001644605769 1078852930 /nfs/dbraw/zinc/85/29/30/1078852930.db2.gz ZAZCGSGPADEISI-UHFFFAOYSA-N 1 1 321.337 2.037 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001645337207 1078894857 /nfs/dbraw/zinc/89/48/57/1078894857.db2.gz CZFVPSVCSCHQJM-JOZWUWCOSA-N 1 1 317.389 2.455 20 5 DEBDMO CC[N@@H+]1CC[C@@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001543969348 1072513700 /nfs/dbraw/zinc/51/37/00/1072513700.db2.gz NXNCGHKJBNPXES-UKRRQHHQSA-N 1 1 321.402 2.263 20 5 DEBDMO CC[N@H+]1CC[C@@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001543969348 1072513707 /nfs/dbraw/zinc/51/37/07/1072513707.db2.gz NXNCGHKJBNPXES-UKRRQHHQSA-N 1 1 321.402 2.263 20 5 DEBDMO CC[N@@H+](CCNC(=O)C1(C)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480978103 1079022395 /nfs/dbraw/zinc/02/23/95/1079022395.db2.gz PFHBQJLOJTZQLK-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO Cc1[nH]c(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(C)[nH+]1 ZINC001646080400 1079099162 /nfs/dbraw/zinc/09/91/62/1079099162.db2.gz OWCSGHVOYMJFQT-UHFFFAOYSA-N 1 1 302.334 2.482 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC001648295809 1074992417 /nfs/dbraw/zinc/99/24/17/1074992417.db2.gz DKVAYZWQKPCEHI-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001648327817 1074993834 /nfs/dbraw/zinc/99/38/34/1074993834.db2.gz NVFZSQHFIDBHQZ-CYBMUJFWSA-N 1 1 321.425 2.048 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001597026765 1077087646 /nfs/dbraw/zinc/08/76/46/1077087646.db2.gz VLZAWVCAYWCBDP-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO CO[C@@H](C)C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001651299667 1079800405 /nfs/dbraw/zinc/80/04/05/1079800405.db2.gz GVPHOCTVNXIXHI-QMMMGPOBSA-N 1 1 303.156 2.482 20 5 DEBDMO Nc1nnc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)o1 ZINC001655205279 1079989971 /nfs/dbraw/zinc/98/99/71/1079989971.db2.gz DIILSLPGHBQLAB-SNVBAGLBSA-N 1 1 321.312 2.079 20 5 DEBDMO Nc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)o1 ZINC001655205279 1079989976 /nfs/dbraw/zinc/98/99/76/1079989976.db2.gz DIILSLPGHBQLAB-SNVBAGLBSA-N 1 1 321.312 2.079 20 5 DEBDMO Nc1nnc([C@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)o1 ZINC001655205278 1079990286 /nfs/dbraw/zinc/99/02/86/1079990286.db2.gz DIILSLPGHBQLAB-JTQLQIEISA-N 1 1 321.312 2.079 20 5 DEBDMO Nc1nnc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)o1 ZINC001655205278 1079990289 /nfs/dbraw/zinc/99/02/89/1079990289.db2.gz DIILSLPGHBQLAB-JTQLQIEISA-N 1 1 321.312 2.079 20 5 DEBDMO CCCC(=O)NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001663700840 1080805710 /nfs/dbraw/zinc/80/57/10/1080805710.db2.gz SJTRUOFQWZVDIQ-UHFFFAOYSA-N 1 1 305.378 2.476 20 5 DEBDMO CCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001271772148 1082150971 /nfs/dbraw/zinc/15/09/71/1082150971.db2.gz LDVFUJVQBGYSLD-HUUCEWRRSA-N 1 1 311.426 2.012 20 5 DEBDMO CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001271772148 1082150977 /nfs/dbraw/zinc/15/09/77/1082150977.db2.gz LDVFUJVQBGYSLD-HUUCEWRRSA-N 1 1 311.426 2.012 20 5 DEBDMO CCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001271772148 1082150980 /nfs/dbraw/zinc/15/09/80/1082150980.db2.gz LDVFUJVQBGYSLD-HUUCEWRRSA-N 1 1 311.426 2.012 20 5 DEBDMO C/C=C(/C)C(=O)N(C)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001482589052 1082296591 /nfs/dbraw/zinc/29/65/91/1082296591.db2.gz QFNWRJYZVGXSLM-ACAGNQJTSA-N 1 1 305.378 2.451 20 5 DEBDMO C/C=C(/C)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001482589052 1082296595 /nfs/dbraw/zinc/29/65/95/1082296595.db2.gz QFNWRJYZVGXSLM-ACAGNQJTSA-N 1 1 305.378 2.451 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)cc1[N+](=O)[O-] ZINC001319814404 1140734610 /nfs/dbraw/zinc/73/46/10/1140734610.db2.gz DSTYTGNLGTWHLO-CQSZACIVSA-N 1 1 317.389 2.394 20 5 DEBDMO COc1ccc(C[C@H](C)NCC2([NH3+])CCCC2)c([N+](=O)[O-])c1 ZINC001246075674 1140857706 /nfs/dbraw/zinc/85/77/06/1140857706.db2.gz MJFDILOFGNFCAB-LBPRGKRZSA-N 1 1 307.394 2.396 20 5 DEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001320805811 1140930648 /nfs/dbraw/zinc/93/06/48/1140930648.db2.gz BBOQACQREPCRRH-UHFFFAOYSA-N 1 1 309.285 2.428 20 5 DEBDMO C[C@H]1CNCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246569382 1140972904 /nfs/dbraw/zinc/97/29/04/1140972904.db2.gz CLQLGTMUIBZPOV-XJKSGUPXSA-N 1 1 303.406 2.384 20 5 DEBDMO C[C@H]1C[NH2+]CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246569382 1140972915 /nfs/dbraw/zinc/97/29/15/1140972915.db2.gz CLQLGTMUIBZPOV-XJKSGUPXSA-N 1 1 303.406 2.384 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1[N+](=O)[O-] ZINC001336672826 1142530314 /nfs/dbraw/zinc/53/03/14/1142530314.db2.gz IPTQTOFELVDYJG-NSHDSACASA-N 1 1 322.361 2.310 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC001254473405 1143131393 /nfs/dbraw/zinc/13/13/93/1143131393.db2.gz CXUCMWJYCZHTBI-MRXNPFEDSA-N 1 1 305.378 2.020 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@H]4C[C@@H](C3)O4)CC2)cc1 ZINC001254479512 1143133420 /nfs/dbraw/zinc/13/34/20/1143133420.db2.gz CRLDEXBLGLQTLR-IYBDPMFKSA-N 1 1 303.362 2.037 20 5 DEBDMO CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254561075 1143248834 /nfs/dbraw/zinc/24/88/34/1143248834.db2.gz FAVRZBLCGRABAW-SWLSCSKDSA-N 1 1 305.378 2.126 20 5 DEBDMO CCN1CCC([N@@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600459 1143275226 /nfs/dbraw/zinc/27/52/26/1143275226.db2.gz PWWGQVSZNXAGRM-QGZVFWFLSA-N 1 1 303.406 2.478 20 5 DEBDMO COC(=O)CC[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602072 1143275801 /nfs/dbraw/zinc/27/58/01/1143275801.db2.gz AKDIKMPNUZYEBX-BLLLJJGKSA-N 1 1 318.373 2.337 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 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ZINC000135630419 282078792 /nfs/dbraw/zinc/07/87/92/282078792.db2.gz DPKBCAHYKDUTDP-MRXNPFEDSA-N 1 1 321.377 2.424 20 5 DEBDMO C[C@@H](C[NH+]1CCOCC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000076776459 185039821 /nfs/dbraw/zinc/03/98/21/185039821.db2.gz NDAOWDQZFRGFJP-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@@H](NCc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000612489223 361841308 /nfs/dbraw/zinc/84/13/08/361841308.db2.gz ZCRUBRLSMDHOCN-CHWSQXEVSA-N 1 1 321.425 2.071 20 5 DEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000278770832 214388051 /nfs/dbraw/zinc/38/80/51/214388051.db2.gz WMWZLXQGRXBAAK-AWEZNQCLSA-N 1 1 319.405 2.280 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(F)c1 ZINC000090512194 185299703 /nfs/dbraw/zinc/29/97/03/185299703.db2.gz ROCCVWSWAINZBP-UHFFFAOYSA-N 1 1 305.309 2.028 20 5 DEBDMO COC(=O)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092643700 185331043 /nfs/dbraw/zinc/33/10/43/185331043.db2.gz AEYWFZCNNKONKI-GBXSZLQWSA-N 1 1 304.346 2.493 20 5 DEBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000444652091 530022925 /nfs/dbraw/zinc/02/29/25/530022925.db2.gz SFWKVPMTIAEDMD-GFCCVEGCSA-N 1 1 317.393 2.245 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272675295 210079299 /nfs/dbraw/zinc/07/92/99/210079299.db2.gz UNPPGAXCYAZMKP-LFECJLGQSA-N 1 1 315.373 2.161 20 5 DEBDMO C[C@@H]1OCC[C@@]12C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO2 ZINC000279711540 215080966 /nfs/dbraw/zinc/08/09/66/215080966.db2.gz SPZDNSXDNVZEQW-HMHLKJFASA-N 1 1 318.373 2.488 20 5 DEBDMO C[C@@H]1OCC[C@@]12C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO2 ZINC000279711540 215080970 /nfs/dbraw/zinc/08/09/70/215080970.db2.gz SPZDNSXDNVZEQW-HMHLKJFASA-N 1 1 318.373 2.488 20 5 DEBDMO C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000331371083 233212225 /nfs/dbraw/zinc/21/22/25/233212225.db2.gz DOJYQRTUZFHRFS-WDEREUQCSA-N 1 1 321.352 2.190 20 5 DEBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000140655838 186027295 /nfs/dbraw/zinc/02/72/95/186027295.db2.gz UHEJTBKXWZNBAD-QWHCGFSZSA-N 1 1 310.398 2.317 20 5 DEBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152663311 186094784 /nfs/dbraw/zinc/09/47/84/186094784.db2.gz GORCSITVEWSMTE-SNVBAGLBSA-N 1 1 323.780 2.462 20 5 DEBDMO CCCCC[N@@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000265995126 186352755 /nfs/dbraw/zinc/35/27/55/186352755.db2.gz LKAVMCJCTCXTNV-UHFFFAOYSA-N 1 1 323.393 2.042 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000173885442 198265150 /nfs/dbraw/zinc/26/51/50/198265150.db2.gz GZJKJPBTPWKDSY-CQSZACIVSA-N 1 1 307.394 2.247 20 5 DEBDMO Cc1noc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000595533876 358476293 /nfs/dbraw/zinc/47/62/93/358476293.db2.gz OBIGKFFYRGSXGZ-QWHCGFSZSA-N 1 1 309.366 2.264 20 5 DEBDMO Cc1noc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000595533876 358476295 /nfs/dbraw/zinc/47/62/95/358476295.db2.gz OBIGKFFYRGSXGZ-QWHCGFSZSA-N 1 1 309.366 2.264 20 5 DEBDMO CC[N@H+]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595534593 358476044 /nfs/dbraw/zinc/47/60/44/358476044.db2.gz CZNSDQQOLMYTOG-AWEZNQCLSA-N 1 1 307.394 2.390 20 5 DEBDMO CC[N@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000595535984 358477012 /nfs/dbraw/zinc/47/70/12/358477012.db2.gz LIWTYPCAHYWOGT-GFCCVEGCSA-N 1 1 317.393 2.387 20 5 DEBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182163224 199396710 /nfs/dbraw/zinc/39/67/10/199396710.db2.gz DONZBUQUZGLCRS-NSHDSACASA-N 1 1 311.769 2.206 20 5 DEBDMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000030149382 354120177 /nfs/dbraw/zinc/12/01/77/354120177.db2.gz NAZBGVXVDDMIDZ-SNVBAGLBSA-N 1 1 323.349 2.238 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000046991462 354300567 /nfs/dbraw/zinc/30/05/67/354300567.db2.gz WMZUCBJBNPBBFJ-LBPRGKRZSA-N 1 1 308.382 2.165 20 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2.309 20 5 DEBDMO CCN1CC[NH+]([C@H](C)CNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000079905764 355335611 /nfs/dbraw/zinc/33/56/11/355335611.db2.gz LBYHHIQTOHSURH-CQSZACIVSA-N 1 1 306.410 2.341 20 5 DEBDMO CCc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090512183 355562105 /nfs/dbraw/zinc/56/21/05/355562105.db2.gz KZPUXMZIXPKTAM-UHFFFAOYSA-N 1 1 315.373 2.451 20 5 DEBDMO CC[N@@H+](C)CCNc1cc(Cl)c(C(=O)OC)cc1[N+](=O)[O-] ZINC000091461389 355596971 /nfs/dbraw/zinc/59/69/71/355596971.db2.gz NXDXUXHTBHUNLW-UHFFFAOYSA-N 1 1 315.757 2.398 20 5 DEBDMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091892266 355611269 /nfs/dbraw/zinc/61/12/69/355611269.db2.gz DQZGOQFTHAZNCE-KGLIPLIRSA-N 1 1 305.378 2.359 20 5 DEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091892266 355611271 /nfs/dbraw/zinc/61/12/71/355611271.db2.gz DQZGOQFTHAZNCE-KGLIPLIRSA-N 1 1 305.378 2.359 20 5 DEBDMO Cc1ccc(C[N@H+](CCO)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000093085884 355667246 /nfs/dbraw/zinc/66/72/46/355667246.db2.gz NWEXWUDOGCFORD-UHFFFAOYSA-N 1 1 301.346 2.293 20 5 DEBDMO Cc1ccc(C[N@@H+](CCO)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000093085884 355667250 /nfs/dbraw/zinc/66/72/50/355667250.db2.gz NWEXWUDOGCFORD-UHFFFAOYSA-N 1 1 301.346 2.293 20 5 DEBDMO CC[N@H+](Cc1ccoc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000102407976 355712137 /nfs/dbraw/zinc/71/21/37/355712137.db2.gz CUWCSAUCAZSUKK-HNNXBMFYSA-N 1 1 320.345 2.450 20 5 DEBDMO CCCC[N@@H+](CCCO)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000182145537 356111582 /nfs/dbraw/zinc/11/15/82/356111582.db2.gz MIOSKAOWZQTNQW-UHFFFAOYSA-N 1 1 323.393 2.326 20 5 DEBDMO C[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184232050 356188492 /nfs/dbraw/zinc/18/84/92/356188492.db2.gz HBTVIMWUYOBBSK-WCQYABFASA-N 1 1 323.368 2.390 20 5 DEBDMO C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@@H+](C)C1CC1 ZINC000185179396 356203196 /nfs/dbraw/zinc/20/31/96/356203196.db2.gz BEHBTCAQDQNOKZ-QWRGUYRKSA-N 1 1 323.368 2.436 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CO)CC1 ZINC000293006433 356387948 /nfs/dbraw/zinc/38/79/48/356387948.db2.gz DFBWHBUVXBMARO-QWHCGFSZSA-N 1 1 321.377 2.016 20 5 DEBDMO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000321976180 356450605 /nfs/dbraw/zinc/45/06/05/356450605.db2.gz IPIPKJHZFQKRDZ-NSHDSACASA-N 1 1 313.361 2.434 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425500792 283210139 /nfs/dbraw/zinc/21/01/39/283210139.db2.gz MNYMUBMYXHGZSO-CQSZACIVSA-N 1 1 317.349 2.032 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425500792 283210142 /nfs/dbraw/zinc/21/01/42/283210142.db2.gz MNYMUBMYXHGZSO-CQSZACIVSA-N 1 1 317.349 2.032 20 5 DEBDMO C[C@H]1C[C@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000580987691 357111556 /nfs/dbraw/zinc/11/15/56/357111556.db2.gz QFVSOHFTOUUMRK-QWRGUYRKSA-N 1 1 309.391 2.070 20 5 DEBDMO COC(=O)c1ccc(OCCCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000581022609 357119928 /nfs/dbraw/zinc/11/99/28/357119928.db2.gz BARHMVBMYCPNBQ-UHFFFAOYSA-N 1 1 319.317 2.127 20 5 DEBDMO CCOc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)ccc1[N+](=O)[O-] ZINC000276848504 213131983 /nfs/dbraw/zinc/13/19/83/213131983.db2.gz DFVQERHOCIPLRL-FIKIJFGZSA-N 1 1 314.407 2.192 20 5 DEBDMO CCOc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)ccc1[N+](=O)[O-] ZINC000276848504 213131986 /nfs/dbraw/zinc/13/19/86/213131986.db2.gz DFVQERHOCIPLRL-FIKIJFGZSA-N 1 1 314.407 2.192 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnnn2-c2ccccc2)cc1 ZINC000590067557 357516033 /nfs/dbraw/zinc/51/60/33/357516033.db2.gz UQUAMKFPFPGGRD-UHFFFAOYSA-N 1 1 309.329 2.465 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000590913239 357641983 /nfs/dbraw/zinc/64/19/83/357641983.db2.gz MECVJRCSQOUPIV-GXTWGEPZSA-N 1 1 320.393 2.391 20 5 DEBDMO C[C@@H]1[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[N@H+]1C ZINC000592784554 357943131 /nfs/dbraw/zinc/94/31/31/357943131.db2.gz LHGIJFZXIUQRQW-MLGOLLRUSA-N 1 1 317.389 2.426 20 5 DEBDMO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[N@@H+](C)C1 ZINC000592829525 357952771 /nfs/dbraw/zinc/95/27/71/357952771.db2.gz PNFITSMYMBBTTE-ZDUSSCGKSA-N 1 1 321.377 2.160 20 5 DEBDMO CCCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H]1CC[N@@H+](C)C1 ZINC000592829756 357953462 /nfs/dbraw/zinc/95/34/62/357953462.db2.gz YAWTYMSHWHZSSI-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000594417716 358262967 /nfs/dbraw/zinc/26/29/67/358262967.db2.gz FGLFZHGKKZTIMX-CABCVRRESA-N 1 1 319.361 2.047 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000594417716 358262968 /nfs/dbraw/zinc/26/29/68/358262968.db2.gz FGLFZHGKKZTIMX-CABCVRRESA-N 1 1 319.361 2.047 20 5 DEBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000595671527 358517782 /nfs/dbraw/zinc/51/77/82/358517782.db2.gz SROWSURYAZTBOX-CZUORRHYSA-N 1 1 308.378 2.457 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC2CC=CC2)CC1 ZINC000595298475 358415813 /nfs/dbraw/zinc/41/58/13/358415813.db2.gz PJKUPRZVCPVBBH-UHFFFAOYSA-N 1 1 321.402 2.380 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180991901 199237992 /nfs/dbraw/zinc/23/79/92/199237992.db2.gz GTECPCFJRXZMCF-GFCCVEGCSA-N 1 1 320.393 2.027 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595695345 358525670 /nfs/dbraw/zinc/52/56/70/358525670.db2.gz GWIBQFAVUAUTAK-CZUORRHYSA-N 1 1 308.378 2.457 20 5 DEBDMO CC(C)(C)[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596094879 358609818 /nfs/dbraw/zinc/60/98/18/358609818.db2.gz OADODTWLSKNIEL-UHFFFAOYSA-N 1 1 320.393 2.004 20 5 DEBDMO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000596209614 358640682 /nfs/dbraw/zinc/64/06/82/358640682.db2.gz AINXLDKORCTXJQ-NSHDSACASA-N 1 1 310.785 2.494 20 5 DEBDMO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000596209614 358640684 /nfs/dbraw/zinc/64/06/84/358640684.db2.gz AINXLDKORCTXJQ-NSHDSACASA-N 1 1 310.785 2.494 20 5 DEBDMO CC[N@@H+](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])CCC(F)(F)F ZINC000596209215 358640737 /nfs/dbraw/zinc/64/07/37/358640737.db2.gz DFXUFMWRWQJQIG-UHFFFAOYSA-N 1 1 322.287 2.382 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000597859734 359024236 /nfs/dbraw/zinc/02/42/36/359024236.db2.gz GLDVPYIISJAQJF-NSHDSACASA-N 1 1 321.377 2.151 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000597859734 359024242 /nfs/dbraw/zinc/02/42/42/359024242.db2.gz GLDVPYIISJAQJF-NSHDSACASA-N 1 1 321.377 2.151 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)c2c(OCC)cccc2[N+](=O)[O-])C1 ZINC000598342315 359168781 /nfs/dbraw/zinc/16/87/81/359168781.db2.gz MAIICNSFLKFHPT-LBPRGKRZSA-N 1 1 321.377 2.208 20 5 DEBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000598645316 359273536 /nfs/dbraw/zinc/27/35/36/359273536.db2.gz CQGNXGSUJHTABY-JQWIXIFHSA-N 1 1 312.341 2.193 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000598645316 359273539 /nfs/dbraw/zinc/27/35/39/359273539.db2.gz CQGNXGSUJHTABY-JQWIXIFHSA-N 1 1 312.341 2.193 20 5 DEBDMO C[N@H+]1CCCC[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000598960914 359368327 /nfs/dbraw/zinc/36/83/27/359368327.db2.gz HMOOBXISIIQAOP-CYBMUJFWSA-N 1 1 320.393 2.126 20 5 DEBDMO COc1ccc(CNC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000598993435 359378352 /nfs/dbraw/zinc/37/83/52/359378352.db2.gz BQBPNJUOKOOOGN-CQSZACIVSA-N 1 1 307.394 2.425 20 5 DEBDMO C[C@@H](C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000599633277 359548990 /nfs/dbraw/zinc/54/89/90/359548990.db2.gz PFEKYEWWPDDCBB-XJKSGUPXSA-N 1 1 324.425 2.300 20 5 DEBDMO CC[C@]1(CO)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000187566217 200128757 /nfs/dbraw/zinc/12/87/57/200128757.db2.gz LJDKBVOMRLBRPX-HOTGVXAUSA-N 1 1 308.378 2.113 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000600313180 359720041 /nfs/dbraw/zinc/72/00/41/359720041.db2.gz IJEUEYGEXSWTMX-NSHDSACASA-N 1 1 309.341 2.196 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000600315471 359721100 /nfs/dbraw/zinc/72/11/00/359721100.db2.gz UARFKSTZWFPLQS-HNNXBMFYSA-N 1 1 319.405 2.376 20 5 DEBDMO COc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000188081469 200191421 /nfs/dbraw/zinc/19/14/21/200191421.db2.gz OIEZXGNYARPHPX-CYBMUJFWSA-N 1 1 321.377 2.078 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000600997974 359887360 /nfs/dbraw/zinc/88/73/60/359887360.db2.gz PKRUZRVIMSVIKZ-LLVKDONJSA-N 1 1 309.341 2.196 20 5 DEBDMO C[C@@H](CC[S@](C)=O)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601119554 359928556 /nfs/dbraw/zinc/92/85/56/359928556.db2.gz BWMJQYWOGUTCSX-CWKPULSASA-N 1 1 307.375 2.134 20 5 DEBDMO CCOc1ccc(NC(=O)Cn2cc(C)[nH+]c2C)c([N+](=O)[O-])c1 ZINC000601081010 359915154 /nfs/dbraw/zinc/91/51/54/359915154.db2.gz XBFFVLPJLULTKR-UHFFFAOYSA-N 1 1 318.333 2.446 20 5 DEBDMO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602585196 360445075 /nfs/dbraw/zinc/44/50/75/360445075.db2.gz CZUHIVQFFYJFGP-MRVPVSSYSA-N 1 1 319.283 2.228 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(CN[C@H]3CC[N@H+]4CCCC[C@H]34)nc2c1 ZINC000602514938 360411840 /nfs/dbraw/zinc/41/18/40/360411840.db2.gz SIECRZQIGJSKKG-GXTWGEPZSA-N 1 1 316.361 2.452 20 5 DEBDMO Cc1cc([C@H]2CCC[N@H+]2CCn2c(C)ncc2[N+](=O)[O-])on1 ZINC000602764759 360541119 /nfs/dbraw/zinc/54/11/19/360541119.db2.gz IQXSDISHQJPBAH-GFCCVEGCSA-N 1 1 305.338 2.233 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000602838692 360582074 /nfs/dbraw/zinc/58/20/74/360582074.db2.gz GUZGHHRGWLPOKY-GFCCVEGCSA-N 1 1 316.361 2.383 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000602838692 360582078 /nfs/dbraw/zinc/58/20/78/360582078.db2.gz GUZGHHRGWLPOKY-GFCCVEGCSA-N 1 1 316.361 2.383 20 5 DEBDMO CC[NH+](CC)Cc1cn(CCOc2ccccc2[N+](=O)[O-])nn1 ZINC000603201510 360744840 /nfs/dbraw/zinc/74/48/40/360744840.db2.gz QEPKHDATXGZWEA-UHFFFAOYSA-N 1 1 319.365 2.107 20 5 DEBDMO O=[N+]([O-])c1cc(Cl)ccc1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000603217677 360751502 /nfs/dbraw/zinc/75/15/02/360751502.db2.gz KSLZUMGRAMMYAK-UHFFFAOYSA-N 1 1 321.768 2.484 20 5 DEBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000603401216 360817474 /nfs/dbraw/zinc/81/74/74/360817474.db2.gz JNGOFQASGUUPBD-GFCCVEGCSA-N 1 1 323.368 2.423 20 5 DEBDMO C[C@@H]1COCC[N@@H+]1C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000603404434 360820388 /nfs/dbraw/zinc/82/03/88/360820388.db2.gz ZEQBXJGRROPQFV-LLVKDONJSA-N 1 1 311.407 2.346 20 5 DEBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000603404434 360820392 /nfs/dbraw/zinc/82/03/92/360820392.db2.gz ZEQBXJGRROPQFV-LLVKDONJSA-N 1 1 311.407 2.346 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000292710106 223211767 /nfs/dbraw/zinc/21/17/67/223211767.db2.gz LJYWYMCEUBWNGH-GJZGRUSLSA-N 1 1 306.362 2.008 20 5 DEBDMO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609640200 361331719 /nfs/dbraw/zinc/33/17/19/361331719.db2.gz AKMCKWORLQVPDG-WCQYABFASA-N 1 1 318.377 2.192 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000610489256 361407672 /nfs/dbraw/zinc/40/76/72/361407672.db2.gz SUJJNUDSBLGXRQ-CQSZACIVSA-N 1 1 323.368 2.425 20 5 DEBDMO COCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000610782573 361465354 /nfs/dbraw/zinc/46/53/54/361465354.db2.gz ZUVNZTQLEPGTIP-UHFFFAOYSA-N 1 1 318.377 2.248 20 5 DEBDMO Cn1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1=O ZINC000611211353 361550739 /nfs/dbraw/zinc/55/07/39/361550739.db2.gz LEQGHMUGHVNSAW-UHFFFAOYSA-N 1 1 313.357 2.458 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611349052 361584322 /nfs/dbraw/zinc/58/43/22/361584322.db2.gz SYFVYJXMUQWAMD-UONOGXRCSA-N 1 1 305.378 2.062 20 5 DEBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000611568402 361635088 /nfs/dbraw/zinc/63/50/88/361635088.db2.gz PPCWMKDCOAGWAY-NWDGAFQWSA-N 1 1 320.393 2.306 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707663 361663089 /nfs/dbraw/zinc/66/30/89/361663089.db2.gz KGHXADCRSODVGJ-XHDPSFHLSA-N 1 1 315.377 2.314 20 5 DEBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](O)CC2)cccc1[N+](=O)[O-] ZINC000293094807 223394138 /nfs/dbraw/zinc/39/41/38/223394138.db2.gz KPLTUYMHKZHTCN-CHWSQXEVSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](O)CC2)cccc1[N+](=O)[O-] ZINC000293094807 223394140 /nfs/dbraw/zinc/39/41/40/223394140.db2.gz KPLTUYMHKZHTCN-CHWSQXEVSA-N 1 1 321.377 2.077 20 5 DEBDMO CCN(C)C(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550465 243106011 /nfs/dbraw/zinc/10/60/11/243106011.db2.gz RVBYANBUIBRXDP-CQSZACIVSA-N 1 1 305.378 2.253 20 5 DEBDMO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000451560749 243115317 /nfs/dbraw/zinc/11/53/17/243115317.db2.gz IGWXUUVVJRRCDE-WFASDCNBSA-N 1 1 321.377 2.199 20 5 DEBDMO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000451560749 243115323 /nfs/dbraw/zinc/11/53/23/243115323.db2.gz IGWXUUVVJRRCDE-WFASDCNBSA-N 1 1 321.377 2.199 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000452170691 244001630 /nfs/dbraw/zinc/00/16/30/244001630.db2.gz MEUUNNIUGVQAOA-LBPRGKRZSA-N 1 1 317.389 2.460 20 5 DEBDMO Cn1cc(C[N@@H+](C)CC(C)(C)O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093414392 193247396 /nfs/dbraw/zinc/24/73/96/193247396.db2.gz WFANLEPAVUWJAV-UHFFFAOYSA-N 1 1 318.377 2.198 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000376615594 284196721 /nfs/dbraw/zinc/19/67/21/284196721.db2.gz CZSFVHHXAVMPDC-LBPRGKRZSA-N 1 1 303.362 2.342 20 5 DEBDMO C[C@@H](O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000264694776 204083471 /nfs/dbraw/zinc/08/34/71/204083471.db2.gz FZKWWGGKQBUPMU-VXGBXAGGSA-N 1 1 321.377 2.015 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288442566 220143523 /nfs/dbraw/zinc/14/35/23/220143523.db2.gz SLKSGPPGESEVLZ-INIZCTEOSA-N 1 1 319.405 2.470 20 5 DEBDMO COc1ccc(NC(=O)C[NH+]2C[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000267733907 206247890 /nfs/dbraw/zinc/24/78/90/206247890.db2.gz BQQXLPRYIRZIER-GHMZBOCLSA-N 1 1 307.350 2.130 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000267733909 206248375 /nfs/dbraw/zinc/24/83/75/206248375.db2.gz BQQXLPRYIRZIER-PHIMTYICSA-N 1 1 307.350 2.130 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000267733909 206248379 /nfs/dbraw/zinc/24/83/79/206248379.db2.gz BQQXLPRYIRZIER-PHIMTYICSA-N 1 1 307.350 2.130 20 5 DEBDMO Cc1[nH+]ccn1CCCCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000158573845 291643613 /nfs/dbraw/zinc/64/36/13/291643613.db2.gz OQISPBLZYCXZAE-UHFFFAOYSA-N 1 1 310.741 2.395 20 5 DEBDMO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000492280959 249030207 /nfs/dbraw/zinc/03/02/07/249030207.db2.gz AQCMWWRLDYZGJB-XRMAHGQMSA-N 1 1 303.362 2.159 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492323953 249040328 /nfs/dbraw/zinc/04/03/28/249040328.db2.gz PBFFNZXJJKHGGN-OTHLQRGRSA-N 1 1 303.362 2.159 20 5 DEBDMO C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000492534510 249083757 /nfs/dbraw/zinc/08/37/57/249083757.db2.gz MYULFGRDJHLNES-UJZCVKTISA-N 1 1 315.373 2.375 20 5 DEBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000274007990 211265407 /nfs/dbraw/zinc/26/54/07/211265407.db2.gz UOJDRBPLOZAMFF-JSGCOSHPSA-N 1 1 313.361 2.460 20 5 DEBDMO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000269105630 207245247 /nfs/dbraw/zinc/24/52/47/207245247.db2.gz BGOSULOPNHJQIL-NWDGAFQWSA-N 1 1 321.377 2.151 20 5 DEBDMO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000269105630 207245251 /nfs/dbraw/zinc/24/52/51/207245251.db2.gz BGOSULOPNHJQIL-NWDGAFQWSA-N 1 1 321.377 2.151 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000066187911 184396017 /nfs/dbraw/zinc/39/60/17/184396017.db2.gz SAYHXYQCNLBBQC-ZDUSSCGKSA-N 1 1 322.409 2.167 20 5 DEBDMO COc1cc(C[N@@H+](C)CC(C)(C)OC)c([N+](=O)[O-])cc1OC ZINC000538828246 285058459 /nfs/dbraw/zinc/05/84/59/285058459.db2.gz RZJNTXGXXZLCLD-UHFFFAOYSA-N 1 1 312.366 2.469 20 5 DEBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000157134867 197164425 /nfs/dbraw/zinc/16/44/25/197164425.db2.gz YRWBYWREDIHEIG-LLVKDONJSA-N 1 1 315.329 2.162 20 5 DEBDMO Cn1cnnc1[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000156678943 197133011 /nfs/dbraw/zinc/13/30/11/197133011.db2.gz LLYPYNVXMMHYCI-AWEZNQCLSA-N 1 1 301.350 2.103 20 5 DEBDMO Cn1cnnc1[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000156678943 197133013 /nfs/dbraw/zinc/13/30/13/197133013.db2.gz LLYPYNVXMMHYCI-AWEZNQCLSA-N 1 1 301.350 2.103 20 5 DEBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000155633031 197073264 /nfs/dbraw/zinc/07/32/64/197073264.db2.gz HAWDEXGXTJYWAI-CBDHMYSDSA-N 1 1 317.389 2.453 20 5 DEBDMO COc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000120640504 195207525 /nfs/dbraw/zinc/20/75/25/195207525.db2.gz INOHPACYMIGWDV-AAEUAGOBSA-N 1 1 321.377 2.016 20 5 DEBDMO Cc1ccc([C@H](C)NC[C@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000289499072 221020600 /nfs/dbraw/zinc/02/06/00/221020600.db2.gz KJQVZPKEOQGUQB-WFASDCNBSA-N 1 1 307.394 2.009 20 5 DEBDMO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN(C)C2CC2)cc1[N+](=O)[O-] ZINC000289499072 221020602 /nfs/dbraw/zinc/02/06/02/221020602.db2.gz KJQVZPKEOQGUQB-WFASDCNBSA-N 1 1 307.394 2.009 20 5 DEBDMO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000294913932 224306676 /nfs/dbraw/zinc/30/66/76/224306676.db2.gz YGEDHWUJMIDHBG-ZDUSSCGKSA-N 1 1 307.350 2.257 20 5 DEBDMO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000294913932 224306679 /nfs/dbraw/zinc/30/66/79/224306679.db2.gz YGEDHWUJMIDHBG-ZDUSSCGKSA-N 1 1 307.350 2.257 20 5 DEBDMO Cc1cc(Cl)c(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000295000916 224369704 /nfs/dbraw/zinc/36/97/04/224369704.db2.gz ZXURVVFUWZHOPP-SNVBAGLBSA-N 1 1 311.769 2.381 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCC(F)(F)F)C2)nc1 ZINC000355889057 133054084 /nfs/dbraw/zinc/05/40/84/133054084.db2.gz JUBYAFRWPMLZDW-SECBINFHSA-N 1 1 304.272 2.428 20 5 DEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000360086201 133160922 /nfs/dbraw/zinc/16/09/22/133160922.db2.gz SAWKQPXJNVVWNP-LLVKDONJSA-N 1 1 309.341 2.148 20 5 DEBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000362550191 133237679 /nfs/dbraw/zinc/23/76/79/133237679.db2.gz DRBRBRIUCHYDIX-QWHCGFSZSA-N 1 1 310.398 2.354 20 5 DEBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000362550191 133237680 /nfs/dbraw/zinc/23/76/80/133237680.db2.gz DRBRBRIUCHYDIX-QWHCGFSZSA-N 1 1 310.398 2.354 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000563022306 292025617 /nfs/dbraw/zinc/02/56/17/292025617.db2.gz IOYQRZVWGSUROW-HNNXBMFYSA-N 1 1 320.393 2.219 20 5 DEBDMO Cc1c(CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000189925318 145036118 /nfs/dbraw/zinc/03/61/18/145036118.db2.gz MKJSJSBMTFIBBL-CYBMUJFWSA-N 1 1 321.421 2.180 20 5 DEBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)C1 ZINC000346190341 146034545 /nfs/dbraw/zinc/03/45/45/146034545.db2.gz OQLPHWKSJCPSII-SDDRHHMPSA-N 1 1 323.418 2.459 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000346933582 146167319 /nfs/dbraw/zinc/16/73/19/146167319.db2.gz QNRDGDSUVHGWSA-UHFFFAOYSA-N 1 1 316.317 2.317 20 5 DEBDMO CC(C)OC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000372160369 404486619 /nfs/dbraw/zinc/48/66/19/404486619.db2.gz LNKTZVJVKDQZKG-INIZCTEOSA-N 1 1 308.378 2.263 20 5 DEBDMO CC(C)OC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000372160369 404486621 /nfs/dbraw/zinc/48/66/21/404486621.db2.gz LNKTZVJVKDQZKG-INIZCTEOSA-N 1 1 308.378 2.263 20 5 DEBDMO COc1ccc(OCCN2CC[N@@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000357064897 147033068 /nfs/dbraw/zinc/03/30/68/147033068.db2.gz JTTIXMJVTDEVKV-OLZOCXBDSA-N 1 1 323.393 2.007 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357086292 147039040 /nfs/dbraw/zinc/03/90/40/147039040.db2.gz USWGCVKKNAXPIL-AWEZNQCLSA-N 1 1 319.405 2.425 20 5 DEBDMO O=C(Nc1c[nH+]ccc1-n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000358622574 147167893 /nfs/dbraw/zinc/16/78/93/147167893.db2.gz FCGSGVFPOBJLND-UHFFFAOYSA-N 1 1 309.285 2.428 20 5 DEBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[N@@H+](C)CC ZINC000359508509 147339579 /nfs/dbraw/zinc/33/95/79/147339579.db2.gz OJBVURCOERJYMA-UHFFFAOYSA-N 1 1 313.329 2.274 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000374349804 148234126 /nfs/dbraw/zinc/23/41/26/148234126.db2.gz IOUAEMCFDINLNR-LBPRGKRZSA-N 1 1 321.377 2.200 20 5 DEBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC(C)(C)CC1 ZINC000127617898 401742811 /nfs/dbraw/zinc/74/28/11/401742811.db2.gz GYYNUIFJGUQEJS-AWEZNQCLSA-N 1 1 310.398 2.053 20 5 DEBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000071970341 401699885 /nfs/dbraw/zinc/69/98/85/401699885.db2.gz JKWUBSBFQDCISV-JTQLQIEISA-N 1 1 323.780 2.462 20 5 DEBDMO Cc1cc(=O)n(Cc2[nH+]ccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000128692073 401788368 /nfs/dbraw/zinc/78/83/68/401788368.db2.gz DNDHTZGFYILHBY-UHFFFAOYSA-N 1 1 324.340 2.358 20 5 DEBDMO Cc1ccnc(N(C)CC(C)(C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000130172522 401820853 /nfs/dbraw/zinc/82/08/53/401820853.db2.gz DYXBETGUXRHUNY-UHFFFAOYSA-N 1 1 322.409 2.093 20 5 DEBDMO Cc1c(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000115436510 401827992 /nfs/dbraw/zinc/82/79/92/401827992.db2.gz LEWQRCLYMFBTHV-CYBMUJFWSA-N 1 1 305.378 2.317 20 5 DEBDMO CCOC(=O)c1ccnc(NC[C@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000077902908 401836531 /nfs/dbraw/zinc/83/65/31/401836531.db2.gz YHJLMFYFQAUMKP-LLVKDONJSA-N 1 1 322.365 2.063 20 5 DEBDMO C[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000042288959 401932393 /nfs/dbraw/zinc/93/23/93/401932393.db2.gz FHGAKAHMMYDBPP-LBPRGKRZSA-N 1 1 303.362 2.358 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000042288959 401932396 /nfs/dbraw/zinc/93/23/96/401932396.db2.gz FHGAKAHMMYDBPP-LBPRGKRZSA-N 1 1 303.362 2.358 20 5 DEBDMO CC(C)[N@H+](CC(=O)N1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000138401807 401986817 /nfs/dbraw/zinc/98/68/17/401986817.db2.gz ARWHZTWYTAPREV-UHFFFAOYSA-N 1 1 305.378 2.428 20 5 DEBDMO CC(C)[N@@H+](CC(=O)N1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000138401807 401986819 /nfs/dbraw/zinc/98/68/19/401986819.db2.gz ARWHZTWYTAPREV-UHFFFAOYSA-N 1 1 305.378 2.428 20 5 DEBDMO CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000121366390 402031694 /nfs/dbraw/zinc/03/16/94/402031694.db2.gz PHZZWRQTOMHHDP-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO CC[N@@H+](CCNC(=O)Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000122862833 402099027 /nfs/dbraw/zinc/09/90/27/402099027.db2.gz NSMLMZJYLKEIIG-UHFFFAOYSA-N 1 1 307.394 2.292 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154000103 402185991 /nfs/dbraw/zinc/18/59/91/402185991.db2.gz OMJIYQSMSNDEJM-AWEZNQCLSA-N 1 1 323.368 2.267 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000068240359 402189097 /nfs/dbraw/zinc/18/90/97/402189097.db2.gz FZTXVZBOKNWQJT-UHFFFAOYSA-N 1 1 311.769 2.416 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000154851413 402235727 /nfs/dbraw/zinc/23/57/27/402235727.db2.gz PVATXOYCXGEAOZ-OAHLLOKOSA-N 1 1 315.377 2.368 20 5 DEBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000155061990 402244019 /nfs/dbraw/zinc/24/40/19/402244019.db2.gz IPNSKSORTSBUGQ-CYBMUJFWSA-N 1 1 305.378 2.416 20 5 DEBDMO C[N@@H+](CCC1CCOCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154444217 402212954 /nfs/dbraw/zinc/21/29/54/402212954.db2.gz ZXHAIIAGTXNUNY-INIZCTEOSA-N 1 1 308.378 2.377 20 5 DEBDMO C[N@@H+](CCOc1cccc(Cl)c1)CCn1ccc([N+](=O)[O-])n1 ZINC000176198686 402289693 /nfs/dbraw/zinc/28/96/93/402289693.db2.gz XPIVWMOVACMEIX-UHFFFAOYSA-N 1 1 324.768 2.456 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177068148 402366191 /nfs/dbraw/zinc/36/61/91/402366191.db2.gz LWWMWDHQFOVURW-RYUDHWBXSA-N 1 1 303.362 2.258 20 5 DEBDMO Cc1ccc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177079535 402367425 /nfs/dbraw/zinc/36/74/25/402367425.db2.gz JXENZFYOOSKUGR-AAEUAGOBSA-N 1 1 303.362 2.258 20 5 DEBDMO Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177079564 402367738 /nfs/dbraw/zinc/36/77/38/402367738.db2.gz JXENZFYOOSKUGR-YPMHNXCESA-N 1 1 303.362 2.258 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177639820 402422908 /nfs/dbraw/zinc/42/29/08/402422908.db2.gz HPUDGQKIFYRRNU-CMPLNLGQSA-N 1 1 304.350 2.342 20 5 DEBDMO CC[C@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000189646974 402549921 /nfs/dbraw/zinc/54/99/21/402549921.db2.gz FMCGQPKPACEAMV-MRXNPFEDSA-N 1 1 321.377 2.079 20 5 DEBDMO COCCO[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000189691825 402552569 /nfs/dbraw/zinc/55/25/69/402552569.db2.gz BOPGOQGQDBLTMF-LBPRGKRZSA-N 1 1 314.769 2.486 20 5 DEBDMO COCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000189691825 402552573 /nfs/dbraw/zinc/55/25/73/402552573.db2.gz BOPGOQGQDBLTMF-LBPRGKRZSA-N 1 1 314.769 2.486 20 5 DEBDMO CSc1cccc(C(=O)NC[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000188083631 402515224 /nfs/dbraw/zinc/51/52/24/402515224.db2.gz UQAVJTFAZRUAPY-SNVBAGLBSA-N 1 1 309.391 2.141 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246621007 402538537 /nfs/dbraw/zinc/53/85/37/402538537.db2.gz IMFRXCOXGVPXLF-STQMWFEESA-N 1 1 321.377 2.077 20 5 DEBDMO C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000248389286 402588321 /nfs/dbraw/zinc/58/83/21/402588321.db2.gz ASZLVCNYUQLSQB-VXGBXAGGSA-N 1 1 321.381 2.232 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000191093979 402641406 /nfs/dbraw/zinc/64/14/06/402641406.db2.gz WIPCYRYRUNRSNA-LLVKDONJSA-N 1 1 323.393 2.372 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000191214955 402651310 /nfs/dbraw/zinc/65/13/10/402651310.db2.gz ORAGGWMTNMOQDE-UHFFFAOYSA-N 1 1 321.377 2.080 20 5 DEBDMO CCc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000173471242 402698804 /nfs/dbraw/zinc/69/88/04/402698804.db2.gz WDXRLFGJJLHTCY-AWEZNQCLSA-N 1 1 305.378 2.323 20 5 DEBDMO C[C@H]1CN(CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000192775290 402749290 /nfs/dbraw/zinc/74/92/90/402749290.db2.gz CEUHVKQRQIELOE-AWEZNQCLSA-N 1 1 319.405 2.280 20 5 DEBDMO C[C@H]1CN(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000192775290 402749292 /nfs/dbraw/zinc/74/92/92/402749292.db2.gz CEUHVKQRQIELOE-AWEZNQCLSA-N 1 1 319.405 2.280 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000175605314 402821132 /nfs/dbraw/zinc/82/11/32/402821132.db2.gz LXXKNNVEBAEYQE-UHFFFAOYSA-N 1 1 324.381 2.457 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])cc1F ZINC000184269626 402831526 /nfs/dbraw/zinc/83/15/26/402831526.db2.gz HHFRSNMAUQETTO-CMPLNLGQSA-N 1 1 312.341 2.478 20 5 DEBDMO NC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000175199924 402787059 /nfs/dbraw/zinc/78/70/59/402787059.db2.gz JRYOXWJELLVGIX-SNVBAGLBSA-N 1 1 311.769 2.336 20 5 DEBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000175199924 402787062 /nfs/dbraw/zinc/78/70/62/402787062.db2.gz JRYOXWJELLVGIX-SNVBAGLBSA-N 1 1 311.769 2.336 20 5 DEBDMO CCC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278136612 402858871 /nfs/dbraw/zinc/85/88/71/402858871.db2.gz ACMHTYPKMIRVCL-UHFFFAOYSA-N 1 1 309.322 2.240 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000278893408 402883065 /nfs/dbraw/zinc/88/30/65/402883065.db2.gz ZQUKMVOELXHLET-YPMHNXCESA-N 1 1 303.362 2.116 20 5 DEBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000265846531 402956159 /nfs/dbraw/zinc/95/61/59/402956159.db2.gz OVHZZTXXZHMVDW-VNHYZAJKSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272593913 402956897 /nfs/dbraw/zinc/95/68/97/402956897.db2.gz PTSBVULYFZBQCP-DGCLKSJQSA-N 1 1 317.345 2.453 20 5 DEBDMO Cc1cccc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000273057669 402966775 /nfs/dbraw/zinc/96/67/75/402966775.db2.gz YCVXAQBFNPCEIQ-LBPRGKRZSA-N 1 1 303.362 2.283 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000266903106 402998481 /nfs/dbraw/zinc/99/84/81/402998481.db2.gz IVVULUAOEJXJPV-UHFFFAOYSA-N 1 1 323.393 2.212 20 5 DEBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc([N+](=O)[O-])cc3C)C2)CC1 ZINC000266965367 403004054 /nfs/dbraw/zinc/00/40/54/403004054.db2.gz JIMUVHDCZDWYIJ-INIZCTEOSA-N 1 1 318.421 2.119 20 5 DEBDMO Cc1c(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280269979 402982061 /nfs/dbraw/zinc/98/20/61/402982061.db2.gz CREZWDGWDDEINK-WBMJQRKESA-N 1 1 306.362 2.283 20 5 DEBDMO Cc1c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280269979 402982062 /nfs/dbraw/zinc/98/20/62/402982062.db2.gz CREZWDGWDDEINK-WBMJQRKESA-N 1 1 306.362 2.283 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C2(CCCCC2)C1 ZINC000267473046 403039242 /nfs/dbraw/zinc/03/92/42/403039242.db2.gz TUBCZTOYJNNXMQ-UHFFFAOYSA-N 1 1 306.366 2.013 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000274527582 403064356 /nfs/dbraw/zinc/06/43/56/403064356.db2.gz YCFYVXHQTVFDQM-CQSZACIVSA-N 1 1 306.410 2.341 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000268260314 403067786 /nfs/dbraw/zinc/06/77/86/403067786.db2.gz ZARRTAKWXMPOPM-RNCFNFMXSA-N 1 1 323.780 2.461 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(C3OCCO3)CC2)cc1F ZINC000276304743 403162775 /nfs/dbraw/zinc/16/27/75/403162775.db2.gz KQGIGJYCMJFWFE-UHFFFAOYSA-N 1 1 310.325 2.319 20 5 DEBDMO C[C@@H](CO)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000276453032 403176686 /nfs/dbraw/zinc/17/66/86/403176686.db2.gz NGWXAIFBOHYGDF-LRDDRELGSA-N 1 1 308.378 2.254 20 5 DEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000330664466 403300391 /nfs/dbraw/zinc/30/03/91/403300391.db2.gz GFAGPBZLDVBELY-RYUDHWBXSA-N 1 1 323.418 2.238 20 5 DEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000330664466 403300393 /nfs/dbraw/zinc/30/03/93/403300393.db2.gz GFAGPBZLDVBELY-RYUDHWBXSA-N 1 1 323.418 2.238 20 5 DEBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]2CCC[C@H]21 ZINC000339718752 403428281 /nfs/dbraw/zinc/42/82/81/403428281.db2.gz LGXMLGDNFOBJRZ-KGLIPLIRSA-N 1 1 305.378 2.267 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000285775558 403377243 /nfs/dbraw/zinc/37/72/43/403377243.db2.gz DQAUDIXWHLGLHO-RBSFLKMASA-N 1 1 319.405 2.451 20 5 DEBDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331419711 403378707 /nfs/dbraw/zinc/37/87/07/403378707.db2.gz DSSBKDYNLQDTLZ-ZDUSSCGKSA-N 1 1 304.350 2.206 20 5 DEBDMO Cc1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000298472172 403390530 /nfs/dbraw/zinc/39/05/30/403390530.db2.gz BPUATGGIPSDQAF-ZFWWWQNUSA-N 1 1 303.362 2.260 20 5 DEBDMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C(N)=O ZINC000331499895 403401274 /nfs/dbraw/zinc/40/12/74/403401274.db2.gz NWECLWDGDHOEQA-PSASIEDQSA-N 1 1 303.322 2.074 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C(N)=O ZINC000331499895 403401276 /nfs/dbraw/zinc/40/12/76/403401276.db2.gz NWECLWDGDHOEQA-PSASIEDQSA-N 1 1 303.322 2.074 20 5 DEBDMO O=C(CC[N@@H+]1CCC[C@@H](CO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339756005 403439424 /nfs/dbraw/zinc/43/94/24/403439424.db2.gz ZSHOALQSHYDFQB-CYBMUJFWSA-N 1 1 321.377 2.018 20 5 DEBDMO CSCCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293309795 403439910 /nfs/dbraw/zinc/43/99/10/403439910.db2.gz XAKRVPOJOAQCOQ-UHFFFAOYSA-N 1 1 323.418 2.106 20 5 DEBDMO CC[N@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](C)C1 ZINC000286293600 403492262 /nfs/dbraw/zinc/49/22/62/403492262.db2.gz IYYXRMVVFWIAAO-LLVKDONJSA-N 1 1 318.377 2.010 20 5 DEBDMO COCC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000286214248 403473986 /nfs/dbraw/zinc/47/39/86/403473986.db2.gz SLQFLZVFTAGAJE-UHFFFAOYSA-N 1 1 309.366 2.178 20 5 DEBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345775600 403479497 /nfs/dbraw/zinc/47/94/97/403479497.db2.gz JXVYOGZXYKHEIJ-RYUDHWBXSA-N 1 1 305.378 2.144 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000345905109 403527354 /nfs/dbraw/zinc/52/73/54/403527354.db2.gz LEUULMNIWLKUHK-CHWSQXEVSA-N 1 1 319.405 2.387 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000345905111 403527370 /nfs/dbraw/zinc/52/73/70/403527370.db2.gz LEUULMNIWLKUHK-QWHCGFSZSA-N 1 1 319.405 2.387 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1CO ZINC000299214362 403548450 /nfs/dbraw/zinc/54/84/50/403548450.db2.gz GAYNSUAIJZXVPG-CQSZACIVSA-N 1 1 321.377 2.079 20 5 DEBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000286342738 403504058 /nfs/dbraw/zinc/50/40/58/403504058.db2.gz GPOBUCDKAXYMFV-CQSZACIVSA-N 1 1 305.378 2.476 20 5 DEBDMO Cc1cccc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286349798 403504955 /nfs/dbraw/zinc/50/49/55/403504955.db2.gz MMLPWSCKUAXEFT-UONOGXRCSA-N 1 1 305.378 2.203 20 5 DEBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCCOC1 ZINC000332369235 403562441 /nfs/dbraw/zinc/56/24/41/403562441.db2.gz RXUAQQNEXQGLIX-NSHDSACASA-N 1 1 304.350 2.330 20 5 DEBDMO CCc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343420290 403581252 /nfs/dbraw/zinc/58/12/52/403581252.db2.gz AHKNOCMZAQQETK-RISCZKNCSA-N 1 1 305.378 2.370 20 5 DEBDMO CCNc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343424037 403583433 /nfs/dbraw/zinc/58/34/33/403583433.db2.gz CDUNEPFLBDMXIT-WCQYABFASA-N 1 1 320.393 2.239 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000293974178 403614076 /nfs/dbraw/zinc/61/40/76/403614076.db2.gz UYMMBAXVHPSTKL-HNNXBMFYSA-N 1 1 323.780 2.416 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000343566840 403641634 /nfs/dbraw/zinc/64/16/34/403641634.db2.gz KYHYGONRQJQWHH-GFCCVEGCSA-N 1 1 321.377 2.208 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](CC(N)=O)CC(C)C ZINC000347352386 403676702 /nfs/dbraw/zinc/67/67/02/403676702.db2.gz DBDZUZQONOQLDI-NTUHNPAUSA-N 1 1 305.378 2.441 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000294361330 403714013 /nfs/dbraw/zinc/71/40/13/403714013.db2.gz ZBHHFUWQDMQDDP-KRWDZBQOSA-N 1 1 317.389 2.461 20 5 DEBDMO CC(C)[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304364097 403786152 /nfs/dbraw/zinc/78/61/52/403786152.db2.gz UTQSCSDSPNRYNY-INIZCTEOSA-N 1 1 318.377 2.063 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000344025391 403857343 /nfs/dbraw/zinc/85/73/43/403857343.db2.gz YCIFAJVFHQOFEC-HIFRSBDPSA-N 1 1 306.362 2.066 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000344025394 403857583 /nfs/dbraw/zinc/85/75/83/403857583.db2.gz YCIFAJVFHQOFEC-ZFWWWQNUSA-N 1 1 306.362 2.066 20 5 DEBDMO Cc1cc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000361810940 403881081 /nfs/dbraw/zinc/88/10/81/403881081.db2.gz GSXLRUQJQGWSOC-ZIAGYGMSSA-N 1 1 320.393 2.354 20 5 DEBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)CO)cccc1[N+](=O)[O-] ZINC000295371500 403887441 /nfs/dbraw/zinc/88/74/41/403887441.db2.gz ZWDDTWDCNQXNLH-GFCCVEGCSA-N 1 1 323.393 2.181 20 5 DEBDMO C[N@H+](CCOCCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289371920 403931128 /nfs/dbraw/zinc/93/11/28/403931128.db2.gz KFNBUIHPYQXULF-UHFFFAOYSA-N 1 1 323.176 2.342 20 5 DEBDMO C[N@@H+](CCOCCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289371920 403931135 /nfs/dbraw/zinc/93/11/35/403931135.db2.gz KFNBUIHPYQXULF-UHFFFAOYSA-N 1 1 323.176 2.342 20 5 DEBDMO CCNc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000336864695 403938259 /nfs/dbraw/zinc/93/82/59/403938259.db2.gz ADWNMXUEZXNHQD-CYBMUJFWSA-N 1 1 320.393 2.193 20 5 DEBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000295472394 403945028 /nfs/dbraw/zinc/94/50/28/403945028.db2.gz DELJVIQZXZSKQJ-ZDUSSCGKSA-N 1 1 317.389 2.080 20 5 DEBDMO COC(=O)[C@@]1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000337418877 404010174 /nfs/dbraw/zinc/01/01/74/404010174.db2.gz AKCZDECAXGGYLA-LRDDRELGSA-N 1 1 322.361 2.105 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000352015257 404079851 /nfs/dbraw/zinc/07/98/51/404079851.db2.gz PVMRLZDIZJNPOB-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000352015257 404079854 /nfs/dbraw/zinc/07/98/54/404079854.db2.gz PVMRLZDIZJNPOB-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000320666949 404069172 /nfs/dbraw/zinc/06/91/72/404069172.db2.gz IWHQDIZJWCLBQJ-VIFPVBQESA-N 1 1 319.390 2.496 20 5 DEBDMO O=C1CC[C@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN1 ZINC000296377987 404220521 /nfs/dbraw/zinc/22/05/21/404220521.db2.gz TXPWFRSTPKQRQE-AWEZNQCLSA-N 1 1 317.389 2.476 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344473529 404164278 /nfs/dbraw/zinc/16/42/78/404164278.db2.gz XEJDCXXLMAAHRN-TXEJJXNPSA-N 1 1 321.377 2.158 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412308569 404238168 /nfs/dbraw/zinc/23/81/68/404238168.db2.gz PUCSIKLEQYMOBL-JKSUJKDBSA-N 1 1 315.373 2.076 20 5 DEBDMO C[C@@H](NC(=O)N1CC[N@@H+](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341912017 404249857 /nfs/dbraw/zinc/24/98/57/404249857.db2.gz AGSPSAIRHIZIBI-QWHCGFSZSA-N 1 1 320.393 2.391 20 5 DEBDMO O=[N+]([O-])c1ccc(CN2CCN(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000567402309 292311099 /nfs/dbraw/zinc/31/10/99/292311099.db2.gz PVYWVIFWCCPFKD-UHFFFAOYSA-N 1 1 321.768 2.294 20 5 DEBDMO Cc1ccccc1[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000364317493 404346675 /nfs/dbraw/zinc/34/66/75/404346675.db2.gz FEBDXXMQCSQEBM-INIZCTEOSA-N 1 1 316.361 2.173 20 5 DEBDMO Cc1ccccc1[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000364317493 404346682 /nfs/dbraw/zinc/34/66/82/404346682.db2.gz FEBDXXMQCSQEBM-INIZCTEOSA-N 1 1 316.361 2.173 20 5 DEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364073926 404308355 /nfs/dbraw/zinc/30/83/55/404308355.db2.gz LVGMNKHNDYGOQF-HUUCEWRRSA-N 1 1 317.389 2.270 20 5 DEBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000350090074 404316498 /nfs/dbraw/zinc/31/64/98/404316498.db2.gz YWBOAJCCTYGQQN-ZNMIVQPWSA-N 1 1 322.409 2.317 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000338422329 404368944 /nfs/dbraw/zinc/36/89/44/404368944.db2.gz RQBNGZCIPCJAPF-UHFFFAOYSA-N 1 1 304.350 2.146 20 5 DEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H](C(N)=O)c1ccccc1 ZINC000352550110 404450164 /nfs/dbraw/zinc/45/01/64/404450164.db2.gz KELPJAZERYXBJL-INIZCTEOSA-N 1 1 313.357 2.296 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H](C(N)=O)c1ccccc1 ZINC000352550110 404450168 /nfs/dbraw/zinc/45/01/68/404450168.db2.gz KELPJAZERYXBJL-INIZCTEOSA-N 1 1 313.357 2.296 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000338637919 404453921 /nfs/dbraw/zinc/45/39/21/404453921.db2.gz ZLFPSQRMUBAVJI-CQSZACIVSA-N 1 1 323.393 2.372 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC[N@H+]1C ZINC000345287950 404659262 /nfs/dbraw/zinc/65/92/62/404659262.db2.gz IVNBCGYCOFXZLE-QMTHXVAHSA-N 1 1 316.361 2.289 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC[C@H]1CCCO1 ZINC000342611305 404677951 /nfs/dbraw/zinc/67/79/51/404677951.db2.gz XMVRCGPVRWHJKY-QWHCGFSZSA-N 1 1 321.377 2.423 20 5 DEBDMO CCc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330569613 404690927 /nfs/dbraw/zinc/69/09/27/404690927.db2.gz CJRJRLYZVJFNAV-VXGBXAGGSA-N 1 1 305.378 2.322 20 5 DEBDMO CCc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330569613 404690929 /nfs/dbraw/zinc/69/09/29/404690929.db2.gz CJRJRLYZVJFNAV-VXGBXAGGSA-N 1 1 305.378 2.322 20 5 DEBDMO CCC[N@@H+](C)CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351614620 404671019 /nfs/dbraw/zinc/67/10/19/404671019.db2.gz HFDOOEZNGZOWRA-UHFFFAOYSA-N 1 1 313.785 2.249 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC[C@H]1CCCO1 ZINC000342602150 404671852 /nfs/dbraw/zinc/67/18/52/404671852.db2.gz LTPORXZYZBEMAV-CYBMUJFWSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC[C@H]1CCCO1 ZINC000342602150 404671854 /nfs/dbraw/zinc/67/18/54/404671854.db2.gz LTPORXZYZBEMAV-CYBMUJFWSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414781566 404733025 /nfs/dbraw/zinc/73/30/25/404733025.db2.gz NFFCWUQOIIGTSB-HNNXBMFYSA-N 1 1 319.405 2.091 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000357647673 404740381 /nfs/dbraw/zinc/74/03/81/404740381.db2.gz HEAMBPGKVQPTEW-LBPRGKRZSA-N 1 1 308.382 2.123 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359127577 404785151 /nfs/dbraw/zinc/78/51/51/404785151.db2.gz FAZHMMIBMBFPEZ-OKILXGFUSA-N 1 1 319.405 2.469 20 5 DEBDMO COc1cc(N2CC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000366736096 404839407 /nfs/dbraw/zinc/83/94/07/404839407.db2.gz AVKCHSUMOSKLCR-NSHDSACASA-N 1 1 302.334 2.331 20 5 DEBDMO CCc1nn(C)c(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000360982348 404869002 /nfs/dbraw/zinc/86/90/02/404869002.db2.gz AVVYHEPZDYIJST-ZDUSSCGKSA-N 1 1 321.425 2.059 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000360996684 404872783 /nfs/dbraw/zinc/87/27/83/404872783.db2.gz STHQPJJCONWWRA-DGCLKSJQSA-N 1 1 309.414 2.429 20 5 DEBDMO CC(C)CC[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000361303474 405014855 /nfs/dbraw/zinc/01/48/55/405014855.db2.gz DAUZOAZADLBUBT-UKRRQHHQSA-N 1 1 322.409 2.273 20 5 DEBDMO CC1(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000451752547 405024079 /nfs/dbraw/zinc/02/40/79/405024079.db2.gz FPIULLYMABMCNU-OAQYLSRUSA-N 1 1 310.419 2.370 20 5 DEBDMO CC1(C)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000451752547 405024082 /nfs/dbraw/zinc/02/40/82/405024082.db2.gz FPIULLYMABMCNU-OAQYLSRUSA-N 1 1 310.419 2.370 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000354075209 405032626 /nfs/dbraw/zinc/03/26/26/405032626.db2.gz LAUCHUIPNMYVQO-UHFFFAOYSA-N 1 1 316.361 2.242 20 5 DEBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000451776310 405034136 /nfs/dbraw/zinc/03/41/36/405034136.db2.gz GPAGOTXRTVVQJS-GFCCVEGCSA-N 1 1 323.393 2.262 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000408148047 405123553 /nfs/dbraw/zinc/12/35/53/405123553.db2.gz KDYCBMVPARFGTC-NWDGAFQWSA-N 1 1 306.366 2.460 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000568477888 292342659 /nfs/dbraw/zinc/34/26/59/292342659.db2.gz GJORAAAYODVMJV-NSHDSACASA-N 1 1 322.365 2.161 20 5 DEBDMO O=C1CCCN1[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000361660319 405188016 /nfs/dbraw/zinc/18/80/16/405188016.db2.gz BBCZSNHLBJGMCR-OMVNSRBRSA-N 1 1 315.373 2.305 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CCCO)C1 ZINC000452137160 405191967 /nfs/dbraw/zinc/19/19/67/405191967.db2.gz ZKBPIJRQEJETOO-QWHCGFSZSA-N 1 1 321.377 2.016 20 5 DEBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000408452998 405209894 /nfs/dbraw/zinc/20/98/94/405209894.db2.gz PLYAYHBVAJUKCM-ABAIWWIYSA-N 1 1 318.377 2.012 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+](CCO)[C@H]1CCCSC1 ZINC000439008218 405262461 /nfs/dbraw/zinc/26/24/61/405262461.db2.gz OPTAOQZPMORVBP-NSHDSACASA-N 1 1 314.382 2.424 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+](CCO)[C@H]1CCCSC1 ZINC000439008218 405262465 /nfs/dbraw/zinc/26/24/65/405262465.db2.gz OPTAOQZPMORVBP-NSHDSACASA-N 1 1 314.382 2.424 20 5 DEBDMO Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425053005 405237341 /nfs/dbraw/zinc/23/73/41/405237341.db2.gz XIIMQRQEYYDRKV-DZGCQCFKSA-N 1 1 303.362 2.069 20 5 DEBDMO COCCCC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000419392312 405246679 /nfs/dbraw/zinc/24/66/79/405246679.db2.gz YGADTLDKYNQQNQ-UHFFFAOYSA-N 1 1 309.366 2.200 20 5 DEBDMO C[N@@H+](CCCCNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000454292405 405323646 /nfs/dbraw/zinc/32/36/46/405323646.db2.gz RTFWMMFKCFFXGB-UHFFFAOYSA-N 1 1 320.393 2.268 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000439895911 405296098 /nfs/dbraw/zinc/29/60/98/405296098.db2.gz FXWOJOPPYPBWTC-GFCCVEGCSA-N 1 1 322.365 2.209 20 5 DEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426459444 405360807 /nfs/dbraw/zinc/36/08/07/405360807.db2.gz KKFWPDXNZRTRDF-DOMZBBRYSA-N 1 1 324.402 2.243 20 5 DEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426459444 405360809 /nfs/dbraw/zinc/36/08/09/405360809.db2.gz KKFWPDXNZRTRDF-DOMZBBRYSA-N 1 1 324.402 2.243 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000420629056 405364211 /nfs/dbraw/zinc/36/42/11/405364211.db2.gz BVDLBFLLCLLFFY-NSHDSACASA-N 1 1 301.350 2.068 20 5 DEBDMO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000580526121 405634748 /nfs/dbraw/zinc/63/47/48/405634748.db2.gz CLPLWPBGBZYXBV-STQMWFEESA-N 1 1 320.393 2.297 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000580116415 405590059 /nfs/dbraw/zinc/59/00/59/405590059.db2.gz MZWUZVTWWHEZTR-CHWSQXEVSA-N 1 1 307.398 2.040 20 5 DEBDMO Cc1c(CC(=O)NCC[N@H+]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000457062383 405675859 /nfs/dbraw/zinc/67/58/59/405675859.db2.gz UXWRQESAGXISPN-UHFFFAOYSA-N 1 1 319.405 2.436 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)C2CCSCC2)cs1 ZINC000449682942 405690173 /nfs/dbraw/zinc/69/01/73/405690173.db2.gz IKNBRRKYYGTGPM-UHFFFAOYSA-N 1 1 302.421 2.346 20 5 DEBDMO COC[C@@]1(CO)CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000449698910 405698284 /nfs/dbraw/zinc/69/82/84/405698284.db2.gz OUYXBWAZCHSOIV-AAKUMTKESA-N 1 1 320.389 2.329 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457118406 405708681 /nfs/dbraw/zinc/70/86/81/405708681.db2.gz MTXPULGFLMXWKL-CQSZACIVSA-N 1 1 305.378 2.458 20 5 DEBDMO C[C@H]1C[N@@H+](CCCNCc2ccccc2[N+](=O)[O-])CCCO1 ZINC000432371493 405755757 /nfs/dbraw/zinc/75/57/57/405755757.db2.gz ZOCBKQQRACCGNF-AWEZNQCLSA-N 1 1 307.394 2.185 20 5 DEBDMO CCOc1cc(N(C)[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000432927437 405836571 /nfs/dbraw/zinc/83/65/71/405836571.db2.gz MJOZJXIWHUHZPE-CYBMUJFWSA-N 1 1 323.393 2.150 20 5 DEBDMO C[C@@H]1COCC[N@H+]1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000562478570 406016294 /nfs/dbraw/zinc/01/62/94/406016294.db2.gz LXZZDLDOHWARKD-CQSZACIVSA-N 1 1 319.405 2.280 20 5 DEBDMO C[C@@H]1COCCN1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000562478570 406016302 /nfs/dbraw/zinc/01/63/02/406016302.db2.gz LXZZDLDOHWARKD-CQSZACIVSA-N 1 1 319.405 2.280 20 5 DEBDMO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c3ncccc23)CCO1 ZINC000516161100 406086473 /nfs/dbraw/zinc/08/64/73/406086473.db2.gz LXPBTGZZEARZAV-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c3ncccc23)CCO1 ZINC000516161100 406086477 /nfs/dbraw/zinc/08/64/77/406086477.db2.gz LXPBTGZZEARZAV-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000532590752 406087411 /nfs/dbraw/zinc/08/74/11/406087411.db2.gz UJPJOOYBFNBDDN-CYBMUJFWSA-N 1 1 322.409 2.031 20 5 DEBDMO Cn1ccnc1[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000533865677 406164769 /nfs/dbraw/zinc/16/47/69/406164769.db2.gz WESCDPUSNUFMJZ-ZDUSSCGKSA-N 1 1 316.361 2.197 20 5 DEBDMO CC(C)[C@@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000487082580 406204076 /nfs/dbraw/zinc/20/40/76/406204076.db2.gz DWXXFXMOBZHMLA-HNNXBMFYSA-N 1 1 320.393 2.076 20 5 DEBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569884761 406315871 /nfs/dbraw/zinc/31/58/71/406315871.db2.gz YVBZGOFZEWZPQO-MCIONIFRSA-N 1 1 308.378 2.455 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000570078909 406342512 /nfs/dbraw/zinc/34/25/12/406342512.db2.gz CQODQGKAHLGPMY-ZDUSSCGKSA-N 1 1 321.377 2.160 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000570078909 406342516 /nfs/dbraw/zinc/34/25/16/406342516.db2.gz CQODQGKAHLGPMY-ZDUSSCGKSA-N 1 1 321.377 2.160 20 5 DEBDMO CCc1nn(C)c(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488755663 406345505 /nfs/dbraw/zinc/34/55/05/406345505.db2.gz TUHQNGJHQPARSB-YRGRVCCFSA-N 1 1 321.425 2.057 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488762053 406346830 /nfs/dbraw/zinc/34/68/30/406346830.db2.gz ONPULYPXVSWBQH-YRGRVCCFSA-N 1 1 321.425 2.286 20 5 DEBDMO CN1CCC[C@@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000521545774 406352743 /nfs/dbraw/zinc/35/27/43/406352743.db2.gz KSFGHGCLERDHAU-GDBMZVCRSA-N 1 1 317.389 2.395 20 5 DEBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCO[C@H]1C ZINC000489466813 406409229 /nfs/dbraw/zinc/40/92/29/406409229.db2.gz ZFHYQHPJKVBGMF-NHYWBVRUSA-N 1 1 312.341 2.360 20 5 DEBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCO[C@H]1C ZINC000489466813 406409230 /nfs/dbraw/zinc/40/92/30/406409230.db2.gz ZFHYQHPJKVBGMF-NHYWBVRUSA-N 1 1 312.341 2.360 20 5 DEBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000523355368 406422117 /nfs/dbraw/zinc/42/21/17/406422117.db2.gz IZVCPEGCKWHROI-ZDUSSCGKSA-N 1 1 322.409 2.318 20 5 DEBDMO O=C1CCCN1[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000523702121 406433971 /nfs/dbraw/zinc/43/39/71/406433971.db2.gz NEMAMSREQHRMEX-MRXNPFEDSA-N 1 1 317.389 2.224 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000571016072 406465997 /nfs/dbraw/zinc/46/59/97/406465997.db2.gz DBUHPCWNVZQEDV-XJKSGUPXSA-N 1 1 319.405 2.497 20 5 DEBDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491534769 406612883 /nfs/dbraw/zinc/61/28/83/406612883.db2.gz YQCQDIMLKGDKDM-WSROAFLRSA-N 1 1 303.362 2.018 20 5 DEBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491576953 406628351 /nfs/dbraw/zinc/62/83/51/406628351.db2.gz QVBBWJVYXGVDMG-UJZCVKTISA-N 1 1 315.373 2.209 20 5 DEBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000491576952 406628509 /nfs/dbraw/zinc/62/85/09/406628509.db2.gz QVBBWJVYXGVDMG-DMTLFAOVSA-N 1 1 315.373 2.209 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000130607087 196095875 /nfs/dbraw/zinc/09/58/75/196095875.db2.gz GJKPGTROWMQCEB-UHFFFAOYSA-N 1 1 302.334 2.262 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134517665 196398150 /nfs/dbraw/zinc/39/81/50/196398150.db2.gz DQUFWGWMYMXPDL-LBPRGKRZSA-N 1 1 311.769 2.462 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000579435341 424963220 /nfs/dbraw/zinc/96/32/20/424963220.db2.gz BGKJJLVTNRDFKU-LBPRGKRZSA-N 1 1 300.362 2.897 20 5 DEBDMO C[C@@H]1[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CCC[N@H+]1C ZINC000343434386 424977838 /nfs/dbraw/zinc/97/78/38/424977838.db2.gz ALNFFMVSTYVQPQ-BXUZGUMPSA-N 1 1 300.362 3.038 20 5 DEBDMO C[N@@H+](CCCCNc1ncnc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000591166420 424999953 /nfs/dbraw/zinc/99/99/53/424999953.db2.gz WRMDHFQNUMIVAD-UHFFFAOYSA-N 1 1 315.377 2.824 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000599140623 425042465 /nfs/dbraw/zinc/04/24/65/425042465.db2.gz WVNNXPQBBFYDKL-LBPRGKRZSA-N 1 1 315.377 2.682 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cnn(C)c1C ZINC000430217653 269126480 /nfs/dbraw/zinc/12/64/80/269126480.db2.gz JZRWYGOGBVGJME-SNVBAGLBSA-N 1 1 304.350 2.496 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000517354250 269383759 /nfs/dbraw/zinc/38/37/59/269383759.db2.gz RQONAPGXIXZWDL-CYBMUJFWSA-N 1 1 305.378 2.283 20 5 DEBDMO C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1C ZINC000248366759 274304027 /nfs/dbraw/zinc/30/40/27/274304027.db2.gz SNHVWQOJEKHDJZ-TYNCELHUSA-N 1 1 303.362 2.430 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000268165482 274343614 /nfs/dbraw/zinc/34/36/14/274343614.db2.gz PODZDIFKZPONQD-SCZZXKLOSA-N 1 1 307.379 2.199 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000269444883 275036785 /nfs/dbraw/zinc/03/67/85/275036785.db2.gz UEWJVFDIWSILCM-SWLSCSKDSA-N 1 1 302.378 2.443 20 5 DEBDMO CC(C)OC1CC([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000459516476 275658510 /nfs/dbraw/zinc/65/85/10/275658510.db2.gz VJKRXLGEWWWBLV-UHFFFAOYSA-N 1 1 320.393 2.068 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000288233597 276382518 /nfs/dbraw/zinc/38/25/18/276382518.db2.gz DIUNTCMCDCISAR-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000288233597 276382519 /nfs/dbraw/zinc/38/25/19/276382519.db2.gz DIUNTCMCDCISAR-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000287130841 277005923 /nfs/dbraw/zinc/00/59/23/277005923.db2.gz ZXJDXMQITQSCDC-HNNXBMFYSA-N 1 1 321.377 2.348 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272634265 277144043 /nfs/dbraw/zinc/14/40/43/277144043.db2.gz NMEZAQXYVGJZCH-YGRLFVJLSA-N 1 1 323.780 2.414 20 5 DEBDMO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000287029407 277239074 /nfs/dbraw/zinc/23/90/74/277239074.db2.gz SAYCWSPIJRDHNC-ZDUSSCGKSA-N 1 1 307.350 2.305 20 5 DEBDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000287029407 277239077 /nfs/dbraw/zinc/23/90/77/277239077.db2.gz SAYCWSPIJRDHNC-ZDUSSCGKSA-N 1 1 307.350 2.305 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286433638 278746689 /nfs/dbraw/zinc/74/66/89/278746689.db2.gz RZYNUWAIFDSLDO-ZFWWWQNUSA-N 1 1 305.378 2.203 20 5 DEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295195697 280163942 /nfs/dbraw/zinc/16/39/42/280163942.db2.gz JNOSAHFMBJBCPC-ZDUSSCGKSA-N 1 1 315.732 2.022 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@H](N3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000574768112 326185358 /nfs/dbraw/zinc/18/53/58/326185358.db2.gz GZUSZWLSDRPJPS-INIZCTEOSA-N 1 1 319.405 2.200 20 5 DEBDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000292546909 533734277 /nfs/dbraw/zinc/73/42/77/533734277.db2.gz YFWBEZRAVDUTIB-LLVKDONJSA-N 1 1 323.418 2.269 20 5 DEBDMO Cc1ccc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000193400820 533872691 /nfs/dbraw/zinc/87/26/91/533872691.db2.gz DIWHITOQWACRLW-GASCZTMLSA-N 1 1 321.421 2.444 20 5 DEBDMO CC(C)COCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000337299445 519754678 /nfs/dbraw/zinc/75/46/78/519754678.db2.gz MJGKFNRKFMSSPI-CYBMUJFWSA-N 1 1 308.382 2.149 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000339255838 524097150 /nfs/dbraw/zinc/09/71/50/524097150.db2.gz IUGGNOYJUYWFSL-CYBMUJFWSA-N 1 1 305.378 2.476 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000106864845 524907332 /nfs/dbraw/zinc/90/73/32/524907332.db2.gz QETJVCNJMCXGPW-CHWSQXEVSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000106864845 524907343 /nfs/dbraw/zinc/90/73/43/524907343.db2.gz QETJVCNJMCXGPW-CHWSQXEVSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1ccccc1OCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157478093 525295595 /nfs/dbraw/zinc/29/55/95/525295595.db2.gz KDJPTJCGZYWBOR-UHFFFAOYSA-N 1 1 304.350 2.111 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000492402402 536460554 /nfs/dbraw/zinc/46/05/54/536460554.db2.gz XBCIURQZBHNSJF-SAABFPIUSA-N 1 1 315.373 2.161 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000246435689 536471543 /nfs/dbraw/zinc/47/15/43/536471543.db2.gz BDLSFXGKBULMFL-LSDHHAIUSA-N 1 1 317.389 2.080 20 5 DEBDMO COC(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000346663811 536808581 /nfs/dbraw/zinc/80/85/81/536808581.db2.gz XCSYHCCFZJETQP-KOLCDFICSA-N 1 1 319.317 2.119 20 5 DEBDMO COC(=O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000346663811 536808590 /nfs/dbraw/zinc/80/85/90/536808590.db2.gz XCSYHCCFZJETQP-KOLCDFICSA-N 1 1 319.317 2.119 20 5 DEBDMO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000930918607 625469547 /nfs/dbraw/zinc/46/95/47/625469547.db2.gz OXRATVOBVXXZHN-JMSVASOKSA-N 1 1 305.378 2.112 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891852567 624629179 /nfs/dbraw/zinc/62/91/79/624629179.db2.gz NDDLDHVNUYXFQP-BETUJISGSA-N 1 1 309.414 2.498 20 5 DEBDMO COc1c(O)ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000892104709 624783051 /nfs/dbraw/zinc/78/30/51/624783051.db2.gz DZVRTDAXVXQHPX-DGCLKSJQSA-N 1 1 323.393 2.224 20 5 DEBDMO COc1c(O)ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000892104711 624783557 /nfs/dbraw/zinc/78/35/57/624783557.db2.gz DZVRTDAXVXQHPX-YPMHNXCESA-N 1 1 323.393 2.224 20 5 DEBDMO COc1c(O)ccc(CNCCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000892517483 625085274 /nfs/dbraw/zinc/08/52/74/625085274.db2.gz MCMYCDIVRHYGEV-UHFFFAOYSA-N 1 1 311.382 2.129 20 5 DEBDMO Cc1ccc(CNc2c([N+](=O)[O-])cnn2C)c(N2CCCC2)[nH+]1 ZINC000893115969 625122606 /nfs/dbraw/zinc/12/26/06/625122606.db2.gz AANAEWOFCPDXSS-UHFFFAOYSA-N 1 1 316.365 2.244 20 5 DEBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000837177105 650171586 /nfs/dbraw/zinc/17/15/86/650171586.db2.gz MJDIKIRZWJPLFX-UHFFFAOYSA-N 1 1 309.341 2.338 20 5 DEBDMO O=C(NCC1CC[NH+](CCCC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001400720 635477731 /nfs/dbraw/zinc/47/77/31/635477731.db2.gz VZZQSEVAXAUGPS-HZPDHXFCSA-N 1 1 323.437 2.060 20 5 DEBDMO C[C@@H]1[C@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000893882305 636055033 /nfs/dbraw/zinc/05/50/33/636055033.db2.gz HHYABGAIMIPOSW-TZMCWYRMSA-N 1 1 315.377 2.403 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CCC[C@](C)(OC)C2)c1[N+](=O)[O-] ZINC000894136212 636267451 /nfs/dbraw/zinc/26/74/51/636267451.db2.gz FFNNVVKJYYZKST-HNNXBMFYSA-N 1 1 310.350 2.310 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@](C)(OC)C2)c1[N+](=O)[O-] ZINC000894136212 636267456 /nfs/dbraw/zinc/26/74/56/636267456.db2.gz FFNNVVKJYYZKST-HNNXBMFYSA-N 1 1 310.350 2.310 20 5 DEBDMO CCCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000923328889 637112256 /nfs/dbraw/zinc/11/22/56/637112256.db2.gz XYNWDCGIXRCBRC-INIZCTEOSA-N 1 1 307.394 2.092 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000895022050 637384864 /nfs/dbraw/zinc/38/48/64/637384864.db2.gz JVOWSNQATQJELS-IINYFYTJSA-N 1 1 306.322 2.033 20 5 DEBDMO C[C@H](NC(=O)NCC[N@H+]1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000895067131 637471627 /nfs/dbraw/zinc/47/16/27/637471627.db2.gz PHMXFNBJLKTWTN-STQMWFEESA-N 1 1 320.393 2.297 20 5 DEBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000895246768 637847627 /nfs/dbraw/zinc/84/76/27/637847627.db2.gz CBQVLFRRIPEGGZ-HZMBPMFUSA-N 1 1 312.801 2.294 20 5 DEBDMO COc1c(O)ccc(C[N@H+](C)CC2=CCCOC2)c1[N+](=O)[O-] ZINC000895370052 637976487 /nfs/dbraw/zinc/97/64/87/637976487.db2.gz DZIPSZUIXNPZHG-UHFFFAOYSA-N 1 1 308.334 2.088 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)CC2=CCCOC2)c1[N+](=O)[O-] ZINC000895370052 637976490 /nfs/dbraw/zinc/97/64/90/637976490.db2.gz DZIPSZUIXNPZHG-UHFFFAOYSA-N 1 1 308.334 2.088 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000742242061 638054006 /nfs/dbraw/zinc/05/40/06/638054006.db2.gz RRBFDXRQIVPWFU-SNVBAGLBSA-N 1 1 311.769 2.462 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000895538652 638077311 /nfs/dbraw/zinc/07/73/11/638077311.db2.gz GSZGPJUDYQOULY-ZDUSSCGKSA-N 1 1 305.378 2.426 20 5 DEBDMO Cc1nc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)ccc1[N+](=O)[O-] ZINC000895565992 638091194 /nfs/dbraw/zinc/09/11/94/638091194.db2.gz GKYAFFBRBPMVJC-WCQYABFASA-N 1 1 308.407 2.290 20 5 DEBDMO Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000895566925 638093538 /nfs/dbraw/zinc/09/35/38/638093538.db2.gz CTEMXYOHBZVQEZ-BXUZGUMPSA-N 1 1 308.407 2.169 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000743017382 638111962 /nfs/dbraw/zinc/11/19/62/638111962.db2.gz VIROLHLYCBPIHZ-NSHDSACASA-N 1 1 308.407 2.366 20 5 DEBDMO COc1cc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000895780615 638199263 /nfs/dbraw/zinc/19/92/63/638199263.db2.gz PTAFFGGOYCXHMI-TXEJJXNPSA-N 1 1 324.402 2.407 20 5 DEBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000744400073 638217630 /nfs/dbraw/zinc/21/76/30/638217630.db2.gz FMZWYQMQBIUZJJ-UHFFFAOYSA-N 1 1 302.334 2.345 20 5 DEBDMO CC(C)(C)[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000746090311 638310181 /nfs/dbraw/zinc/31/01/81/638310181.db2.gz WJVQPUCQTKNCDP-UHFFFAOYSA-N 1 1 319.365 2.442 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000896061207 638333155 /nfs/dbraw/zinc/33/31/55/638333155.db2.gz YTEMUIRYPPGEBZ-RISCZKNCSA-N 1 1 322.361 2.310 20 5 DEBDMO Cc1cc(C(=O)Nc2cc[nH+]c(N(C)C)c2)c(N)c([N+](=O)[O-])c1 ZINC000748511841 638566585 /nfs/dbraw/zinc/56/65/85/638566585.db2.gz KASDNGLHQUXFBA-UHFFFAOYSA-N 1 1 315.333 2.199 20 5 DEBDMO O=[N+]([O-])c1c(N2CCC(c3[nH]cc[nH+]3)CC2)nc2ccccn21 ZINC000748536410 638568562 /nfs/dbraw/zinc/56/85/62/638568562.db2.gz DRQQLEBYWDTKAY-UHFFFAOYSA-N 1 1 312.333 2.350 20 5 DEBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749985898 638700805 /nfs/dbraw/zinc/70/08/05/638700805.db2.gz QGFNDEVGEFCULJ-LLVKDONJSA-N 1 1 323.780 2.462 20 5 DEBDMO CCN(CCC(=O)NC)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000896977085 639105046 /nfs/dbraw/zinc/10/50/46/639105046.db2.gz GXFRJCIGKSTYPP-UHFFFAOYSA-N 1 1 302.334 2.105 20 5 DEBDMO CC[NH+]1CCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897077407 639161420 /nfs/dbraw/zinc/16/14/20/639161420.db2.gz DQJWGVKCVGRGPU-CYBMUJFWSA-N 1 1 320.393 2.045 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000897196537 639234944 /nfs/dbraw/zinc/23/49/44/639234944.db2.gz XGHXWNLZSZXVTP-LBPRGKRZSA-N 1 1 305.378 2.378 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000897196537 639234946 /nfs/dbraw/zinc/23/49/46/639234946.db2.gz XGHXWNLZSZXVTP-LBPRGKRZSA-N 1 1 305.378 2.378 20 5 DEBDMO CC(C)(C)C(=O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000753748464 639337950 /nfs/dbraw/zinc/33/79/50/639337950.db2.gz ONNMAUURRGUQGQ-LBPRGKRZSA-N 1 1 320.393 2.481 20 5 DEBDMO Cc1nn(C[N@H+]2CCOC[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000753988640 639370641 /nfs/dbraw/zinc/37/06/41/639370641.db2.gz ZEEVZNDEFPYEIR-LLVKDONJSA-N 1 1 304.350 2.179 20 5 DEBDMO Cc1nn(C[N@@H+]2CCOC[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000753988640 639370650 /nfs/dbraw/zinc/37/06/50/639370650.db2.gz ZEEVZNDEFPYEIR-LLVKDONJSA-N 1 1 304.350 2.179 20 5 DEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC000761090723 640268189 /nfs/dbraw/zinc/26/81/89/640268189.db2.gz HXUPPAPDFZHKGE-GXFFZTMASA-N 1 1 305.334 2.026 20 5 DEBDMO Cc1nn(C[N@H+]2CCCOC[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000761290475 640294720 /nfs/dbraw/zinc/29/47/20/640294720.db2.gz ANXIORGTFIIFJB-NSHDSACASA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1nn(C[N@@H+]2CCCOC[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000761290475 640294725 /nfs/dbraw/zinc/29/47/25/640294725.db2.gz ANXIORGTFIIFJB-NSHDSACASA-N 1 1 304.350 2.321 20 5 DEBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccc21 ZINC000761639676 640332079 /nfs/dbraw/zinc/33/20/79/640332079.db2.gz CNFRDXFBRJJVHC-CYBMUJFWSA-N 1 1 313.357 2.376 20 5 DEBDMO COC[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765024578 640726849 /nfs/dbraw/zinc/72/68/49/640726849.db2.gz GDGSJOVLGAYQOO-GFCCVEGCSA-N 1 1 304.350 2.179 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000929118908 640771371 /nfs/dbraw/zinc/77/13/71/640771371.db2.gz WGVPJZUBLOGDLP-RISCZKNCSA-N 1 1 304.350 2.071 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000769757864 641285790 /nfs/dbraw/zinc/28/57/90/641285790.db2.gz SWQOYHFJTNYNJB-XHDPSFHLSA-N 1 1 321.352 2.290 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1C ZINC000771397594 641504655 /nfs/dbraw/zinc/50/46/55/641504655.db2.gz RXAORYCBLRFOBE-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000771397594 641504661 /nfs/dbraw/zinc/50/46/61/641504661.db2.gz RXAORYCBLRFOBE-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000771401314 641506511 /nfs/dbraw/zinc/50/65/11/641506511.db2.gz BXYYUPATLFLGLF-MNOVXSKESA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000771401314 641506516 /nfs/dbraw/zinc/50/65/16/641506516.db2.gz BXYYUPATLFLGLF-MNOVXSKESA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1nn(C[N@H+]2CCOCC[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000774659003 641938231 /nfs/dbraw/zinc/93/82/31/641938231.db2.gz FLGTUUUEJZXNQY-LLVKDONJSA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1nn(C[N@@H+]2CCOCC[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000774659003 641938233 /nfs/dbraw/zinc/93/82/33/641938233.db2.gz FLGTUUUEJZXNQY-LLVKDONJSA-N 1 1 304.350 2.321 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000776275968 642152089 /nfs/dbraw/zinc/15/20/89/642152089.db2.gz JEFVFFXXUIIKEZ-CJNGLKHVSA-N 1 1 316.361 2.231 20 5 DEBDMO CC(C)C[C@@H]1COCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584303 642188756 /nfs/dbraw/zinc/18/87/56/642188756.db2.gz KLKMJGNHFOMQDA-HZPDHXFCSA-N 1 1 308.378 2.375 20 5 DEBDMO CC(C)C[C@@H]1COCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584303 642188762 /nfs/dbraw/zinc/18/87/62/642188762.db2.gz KLKMJGNHFOMQDA-HZPDHXFCSA-N 1 1 308.378 2.375 20 5 DEBDMO C[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000779608376 642515048 /nfs/dbraw/zinc/51/50/48/642515048.db2.gz ROUNZTXFBNRRCP-UHFFFAOYSA-N 1 1 312.757 2.418 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OCCO)CC2)cc1Cl ZINC000783572671 643022243 /nfs/dbraw/zinc/02/22/43/643022243.db2.gz IUZJMANBNWELRX-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO Cc1c(CON=C(N)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000902657521 643097326 /nfs/dbraw/zinc/09/73/26/643097326.db2.gz BGCKCYHYIQMHEJ-UHFFFAOYSA-N 1 1 306.366 2.388 20 5 DEBDMO C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3OC(F)F)C[C@H]2C1 ZINC000784620798 643159270 /nfs/dbraw/zinc/15/92/70/643159270.db2.gz ZIAKNKCBTNGICD-AOOOYVTPSA-N 1 1 313.304 2.194 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000791145907 643933842 /nfs/dbraw/zinc/93/38/42/643933842.db2.gz AKTBIGFBRZXOTP-AWEZNQCLSA-N 1 1 320.393 2.027 20 5 DEBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792879510 644163453 /nfs/dbraw/zinc/16/34/53/644163453.db2.gz ISDUCXQKLURHAA-DDFAGTSDSA-N 1 1 309.322 2.237 20 5 DEBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792879510 644163456 /nfs/dbraw/zinc/16/34/56/644163456.db2.gz ISDUCXQKLURHAA-DDFAGTSDSA-N 1 1 309.322 2.237 20 5 DEBDMO C[C@]1(O)CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000794668374 644456152 /nfs/dbraw/zinc/45/61/52/644456152.db2.gz TYJSMJFMVHBSBB-HNNXBMFYSA-N 1 1 304.350 2.139 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000797517382 644890544 /nfs/dbraw/zinc/89/05/44/644890544.db2.gz IIRLGXJCPGMQKV-CYBMUJFWSA-N 1 1 322.361 2.188 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910296363 645408985 /nfs/dbraw/zinc/40/89/85/645408985.db2.gz VSBLPYNOXYVDLR-ZDUSSCGKSA-N 1 1 305.378 2.080 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843792350 651029856 /nfs/dbraw/zinc/02/98/56/651029856.db2.gz RDMYRVCFQDXCBI-UHFFFAOYSA-N 1 1 309.341 2.210 20 5 DEBDMO CC[C@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840021598 645726131 /nfs/dbraw/zinc/72/61/31/645726131.db2.gz CGPCFVVMLWOPAD-LRDDRELGSA-N 1 1 319.361 2.221 20 5 DEBDMO CC[C@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840021598 645726134 /nfs/dbraw/zinc/72/61/34/645726134.db2.gz CGPCFVVMLWOPAD-LRDDRELGSA-N 1 1 319.361 2.221 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CN3CCOC3=S)C2)cc1 ZINC000840128989 646031226 /nfs/dbraw/zinc/03/12/26/646031226.db2.gz 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COc1cc(C(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000810837597 646430793 /nfs/dbraw/zinc/43/07/93/646430793.db2.gz NNLDTFMDDDAHEN-STQMWFEESA-N 1 1 320.345 2.387 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000810836765 646431134 /nfs/dbraw/zinc/43/11/34/646431134.db2.gz IAMHJCVNHSZEAG-AAEUAGOBSA-N 1 1 320.345 2.387 20 5 DEBDMO CC(C)[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000812290795 646625909 /nfs/dbraw/zinc/62/59/09/646625909.db2.gz JIUZCOCSVXTCDU-AWEZNQCLSA-N 1 1 304.350 2.401 20 5 DEBDMO CC(C)[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC000812291366 646627163 /nfs/dbraw/zinc/62/71/63/646627163.db2.gz NOKFGUIUNPPLSC-AWEZNQCLSA-N 1 1 304.350 2.401 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000812344750 646643364 /nfs/dbraw/zinc/64/33/64/646643364.db2.gz WRIWZURNBIIXOO-MNOVXSKESA-N 1 1 323.780 2.272 20 5 DEBDMO CC[C@@H](OC)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170717 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O=C1[C@H]([N@H+]2CCC[C@@H](CF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880233926 690846167 /nfs/dbraw/zinc/84/61/67/690846167.db2.gz BDHMDYNGCGNKMX-SWLSCSKDSA-N 1 1 321.352 2.382 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880586666 690934541 /nfs/dbraw/zinc/93/45/41/690934541.db2.gz VRGLXVAZTDXUTP-LBPRGKRZSA-N 1 1 324.352 2.097 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880586666 690934545 /nfs/dbraw/zinc/93/45/45/690934545.db2.gz VRGLXVAZTDXUTP-LBPRGKRZSA-N 1 1 324.352 2.097 20 5 DEBDMO C[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000880612823 690942692 /nfs/dbraw/zinc/94/26/92/690942692.db2.gz KAQJXVQWVSSVFO-OAHLLOKOSA-N 1 1 319.405 2.326 20 5 DEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000931495324 694412639 /nfs/dbraw/zinc/41/26/39/694412639.db2.gz ISCWIBBXKSNNGD-ZWNOBZJWSA-N 1 1 306.366 2.371 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000881440248 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WOVRGYBRDQYDNV-IINYFYTJSA-N 1 1 322.340 2.292 20 5 DEBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000827758621 783686319 /nfs/dbraw/zinc/68/63/19/783686319.db2.gz WZKWCXQQMQLGHM-OAHLLOKOSA-N 1 1 319.405 2.469 20 5 DEBDMO CCCOc1cccnc1C(=[NH2+])N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998107 784996907 /nfs/dbraw/zinc/99/69/07/784996907.db2.gz IJFBVGHEBRSIBB-NEPJUHHUSA-N 1 1 306.366 2.231 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3nc(C4CC4)ncc3C2)C1 ZINC001169038690 785013274 /nfs/dbraw/zinc/01/32/74/785013274.db2.gz KFIZFJJVIHETBY-FZMZJTMJSA-N 1 1 302.378 2.158 20 5 DEBDMO COC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169041743 785014010 /nfs/dbraw/zinc/01/40/10/785014010.db2.gz CIROMEPGZCBQBR-DUVNUKRYSA-N 1 1 318.373 2.204 20 5 DEBDMO CC(C)C(=O)N1CC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169026939 785020675 /nfs/dbraw/zinc/02/06/75/785020675.db2.gz ZFQLQSZSTIDGQE-KLHDSHLOSA-N 1 1 323.437 2.011 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H](O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170328767 786910802 /nfs/dbraw/zinc/91/08/02/786910802.db2.gz MGFIBAQPJNHVAX-DYEKYZERSA-N 1 1 308.378 2.380 20 5 DEBDMO CC[N@@H+](CCC(=O)OC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170354829 786917768 /nfs/dbraw/zinc/91/77/68/786917768.db2.gz QAGRRJPJNPJYJD-LBPRGKRZSA-N 1 1 324.377 2.419 20 5 DEBDMO NC(=O)[C@@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904752 793524041 /nfs/dbraw/zinc/52/40/41/793524041.db2.gz AGJYISKHLWGFSY-CABCVRRESA-N 1 1 317.389 2.040 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H](OC)C2)c1F ZINC001173180376 793620497 /nfs/dbraw/zinc/62/04/97/793620497.db2.gz KFTHQONWVIWEGW-QWRGUYRKSA-N 1 1 312.341 2.394 20 5 DEBDMO Cc1noc(C2([NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173221118 793637658 /nfs/dbraw/zinc/63/76/58/793637658.db2.gz JCGSIAHHLAQQHR-SNVBAGLBSA-N 1 1 302.334 2.496 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2nccn2CC1 ZINC001173232439 793644681 /nfs/dbraw/zinc/64/46/81/793644681.db2.gz GINBANSUJFURQG-CYBMUJFWSA-N 1 1 300.362 2.281 20 5 DEBDMO O=[N+]([O-])c1cccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001177803712 794755726 /nfs/dbraw/zinc/75/57/26/794755726.db2.gz DQGWZXIHRWFRNU-KRWDZBQOSA-N 1 1 319.405 2.328 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C(C)(C)C1 ZINC001178860545 795022804 /nfs/dbraw/zinc/02/28/04/795022804.db2.gz FBNFMDJPWAOJHX-CQSZACIVSA-N 1 1 321.377 2.064 20 5 DEBDMO CCOC(=O)c1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001118201671 795164626 /nfs/dbraw/zinc/16/46/26/795164626.db2.gz MAWIRNKJARVFGF-SNVBAGLBSA-N 1 1 318.333 2.345 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001118567256 795200049 /nfs/dbraw/zinc/20/00/49/795200049.db2.gz VDZQBOSGMSAEID-CQSZACIVSA-N 1 1 318.377 2.104 20 5 DEBDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001119435693 795301587 /nfs/dbraw/zinc/30/15/87/795301587.db2.gz QXEUESQFUJTXQR-ZDUSSCGKSA-N 1 1 315.377 2.178 20 5 DEBDMO Cc1nn(C)c(N2CC[N@@H+](C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001120874085 795549120 /nfs/dbraw/zinc/54/91/20/795549120.db2.gz HXFFWSAJQBDGDK-LLVKDONJSA-N 1 1 307.398 2.090 20 5 DEBDMO Cc1cc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc([N+](=O)[O-])c1 ZINC001123361554 795901261 /nfs/dbraw/zinc/90/12/61/795901261.db2.gz YBVXSUUYVAGUNL-BYCMXARLSA-N 1 1 318.377 2.365 20 5 DEBDMO C[NH+](C)Cc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])o1 ZINC001141779123 796690169 /nfs/dbraw/zinc/69/01/69/796690169.db2.gz UGTVJSYOLLWQFP-UHFFFAOYSA-N 1 1 303.318 2.179 20 5 DEBDMO Cc1c(C)c(NCC2(N(C)C)CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001156182589 797940756 /nfs/dbraw/zinc/94/07/56/797940756.db2.gz YPKXRHFXKKNBFX-UHFFFAOYSA-N 1 1 321.425 2.045 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC001157262767 798172384 /nfs/dbraw/zinc/17/23/84/798172384.db2.gz YLUZURHFONCDPM-NHYWBVRUSA-N 1 1 313.361 2.068 20 5 DEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCC[C@H]1CCC[N@H+]1C ZINC001160970411 798772650 /nfs/dbraw/zinc/77/26/50/798772650.db2.gz GQAXZQHYNZBBBK-LLVKDONJSA-N 1 1 322.365 2.063 20 5 DEBDMO COc1ccc2ncc([N+](=O)[O-])c(NCC[N@@H+](C)C(C)C)c2c1 ZINC001162360586 799071650 /nfs/dbraw/zinc/07/16/50/799071650.db2.gz CIPCFZFRBZCBEQ-UHFFFAOYSA-N 1 1 318.377 2.326 20 5 DEBDMO Cn1cc([N+](=O)[O-])c(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1 ZINC001162658772 799140747 /nfs/dbraw/zinc/14/07/47/799140747.db2.gz AIDKXWNKCMQQFJ-CQSZACIVSA-N 1 1 315.377 2.039 20 5 DEBDMO Cc1cnc(NCC[C@@H]2CC[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001162808334 799180760 /nfs/dbraw/zinc/18/07/60/799180760.db2.gz PYGTWBBWFONNJA-JTQLQIEISA-N 1 1 300.309 2.345 20 5 DEBDMO Cc1nc(N[C@@H](C[NH+]2CCOCC2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001162877406 799193352 /nfs/dbraw/zinc/19/33/52/799193352.db2.gz DQSBWJPCMWODIC-AWEZNQCLSA-N 1 1 322.409 2.457 20 5 DEBDMO Cc1cnc(N[C@@H](C[NH+]2CCOCC2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001162877644 799194765 /nfs/dbraw/zinc/19/47/65/799194765.db2.gz LUKSQRHIJRQQIH-AWEZNQCLSA-N 1 1 322.409 2.457 20 5 DEBDMO CCO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000932971383 799984817 /nfs/dbraw/zinc/98/48/17/799984817.db2.gz LIXLOSLQUZIXBG-AWEZNQCLSA-N 1 1 307.350 2.034 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000933486408 800107111 /nfs/dbraw/zinc/10/71/11/800107111.db2.gz PPOZVSORAYJKIN-GFCCVEGCSA-N 1 1 323.418 2.483 20 5 DEBDMO Cc1noc(C[C@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC000933562741 800123122 /nfs/dbraw/zinc/12/31/22/800123122.db2.gz FSRWPFORNNXTFE-GFCCVEGCSA-N 1 1 317.349 2.136 20 5 DEBDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC000933562741 800123123 /nfs/dbraw/zinc/12/31/23/800123123.db2.gz FSRWPFORNNXTFE-GFCCVEGCSA-N 1 1 317.349 2.136 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000934121080 800267709 /nfs/dbraw/zinc/26/77/09/800267709.db2.gz JWKGZZQGQBDORK-LEWSCRJBSA-N 1 1 307.350 2.031 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000934121080 800267712 /nfs/dbraw/zinc/26/77/12/800267712.db2.gz JWKGZZQGQBDORK-LEWSCRJBSA-N 1 1 307.350 2.031 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000935113795 800563550 /nfs/dbraw/zinc/56/35/50/800563550.db2.gz FDOWTRUSSNBICD-HNNXBMFYSA-N 1 1 305.378 2.126 20 5 DEBDMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC000935511084 800684191 /nfs/dbraw/zinc/68/41/91/800684191.db2.gz XWBBJAOONVZTKZ-CYBMUJFWSA-N 1 1 307.350 2.415 20 5 DEBDMO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC000935511084 800684197 /nfs/dbraw/zinc/68/41/97/800684197.db2.gz XWBBJAOONVZTKZ-CYBMUJFWSA-N 1 1 307.350 2.415 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230516944 801409102 /nfs/dbraw/zinc/40/91/02/801409102.db2.gz VJJCWBVUBDQOJE-QMMMGPOBSA-N 1 1 316.321 2.026 20 5 DEBDMO O=[N+]([O-])c1cccc(O[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001233578411 802156180 /nfs/dbraw/zinc/15/61/80/802156180.db2.gz RWZXPYWPABOIBR-SECBINFHSA-N 1 1 304.262 2.093 20 5 DEBDMO COc1cc(CO[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC001223908436 802822433 /nfs/dbraw/zinc/82/24/33/802822433.db2.gz FZFPBPQQNNNSJL-LBPRGKRZSA-N 1 1 310.350 2.223 20 5 DEBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3cc(Cl)ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225709835 803004026 /nfs/dbraw/zinc/00/40/26/803004026.db2.gz DGLXMFHWNNNEKF-BHYNMZESSA-N 1 1 310.737 2.431 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@H](Oc3cc(Cl)ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225709835 803004033 /nfs/dbraw/zinc/00/40/33/803004033.db2.gz DGLXMFHWNNNEKF-BHYNMZESSA-N 1 1 310.737 2.431 20 5 DEBDMO CO[C@@H]1CC[N@H+](CCOc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226811396 803164070 /nfs/dbraw/zinc/16/40/70/803164070.db2.gz YGVPQPRXBKYWPI-LLVKDONJSA-N 1 1 300.742 2.348 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CCOc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226811396 803164073 /nfs/dbraw/zinc/16/40/73/803164073.db2.gz YGVPQPRXBKYWPI-LLVKDONJSA-N 1 1 300.742 2.348 20 5 DEBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228973134 803438057 /nfs/dbraw/zinc/43/80/57/803438057.db2.gz GFPQPMLAVUYYSE-KEODLESXSA-N 1 1 308.334 2.115 20 5 DEBDMO COc1c(O)ccc(C[NH2+]Cc2cnc(C)s2)c1[N+](=O)[O-] ZINC001334168772 1150217896 /nfs/dbraw/zinc/21/78/96/1150217896.db2.gz RBHRHKNWHZROOK-UHFFFAOYSA-N 1 1 309.347 2.364 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001334246314 1150245442 /nfs/dbraw/zinc/24/54/42/1150245442.db2.gz AEXXQOILZULYAP-INIZCTEOSA-N 1 1 317.389 2.352 20 5 DEBDMO COc1c(O)ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001334286852 1150258408 /nfs/dbraw/zinc/25/84/08/1150258408.db2.gz HHMQMJHZTDAXHB-WCQYABFASA-N 1 1 323.393 2.081 20 5 DEBDMO CC(C)c1[nH+]ccn1CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001335991382 1150581876 /nfs/dbraw/zinc/58/18/76/1150581876.db2.gz RLPCOOKGYRIHPI-UHFFFAOYSA-N 1 1 314.345 2.457 20 5 DEBDMO CCCCC[N@@H+](CCO)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001459466671 1058163886 /nfs/dbraw/zinc/16/38/86/1058163886.db2.gz MBZADYROLXSTGO-UHFFFAOYSA-N 1 1 324.377 2.366 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@]23CCOC3)cc1 ZINC001460959295 1058552939 /nfs/dbraw/zinc/55/29/39/1058552939.db2.gz MRBLFLXXMWJJDK-HZPDHXFCSA-N 1 1 306.362 2.273 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C(C)(C)C1 ZINC001472056408 1060390570 /nfs/dbraw/zinc/39/05/70/1060390570.db2.gz HOFPXUOLTHBLMI-ZDUSSCGKSA-N 1 1 305.378 2.363 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001472905568 1060606765 /nfs/dbraw/zinc/60/67/65/1060606765.db2.gz BCQNYLUSCIOMCE-NSHDSACASA-N 1 1 301.350 2.068 20 5 DEBDMO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001473586605 1060697647 /nfs/dbraw/zinc/69/76/47/1060697647.db2.gz SWADCJJDMWLIES-JHJVBQTASA-N 1 1 305.378 2.077 20 5 DEBDMO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001473586605 1060697654 /nfs/dbraw/zinc/69/76/54/1060697654.db2.gz SWADCJJDMWLIES-JHJVBQTASA-N 1 1 305.378 2.077 20 5 DEBDMO C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001628635032 1078300939 /nfs/dbraw/zinc/30/09/39/1078300939.db2.gz SLACDPNLNGJSSJ-NSHDSACASA-N 1 1 311.769 2.001 20 5 DEBDMO CCOc1cc(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001643270729 1078793282 /nfs/dbraw/zinc/79/32/82/1078793282.db2.gz KOMAQILBVXFTAR-AAEUAGOBSA-N 1 1 309.341 2.226 20 5 DEBDMO CCOc1cc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001643270729 1078793287 /nfs/dbraw/zinc/79/32/87/1078793287.db2.gz KOMAQILBVXFTAR-AAEUAGOBSA-N 1 1 309.341 2.226 20 5 DEBDMO CC(C)C[C@@H]([NH3+])C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC001573505247 1069024130 /nfs/dbraw/zinc/02/41/30/1069024130.db2.gz YWCBYFMERCVKBJ-GFCCVEGCSA-N 1 1 309.366 2.077 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)C(C)(C)C1 ZINC001645341416 1078896562 /nfs/dbraw/zinc/89/65/62/1078896562.db2.gz OKKZNBCATYFBDH-HNNXBMFYSA-N 1 1 319.405 2.292 20 5 DEBDMO Cc1cc([C@H]2CCCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])[nH]n1 ZINC001648434542 1074997536 /nfs/dbraw/zinc/99/75/36/1074997536.db2.gz WTPUTQMGRIXZNX-CQSZACIVSA-N 1 1 318.381 2.358 20 5 DEBDMO Cc1cc([C@H]2CCCC[N@H+]2CCn2c(C)ncc2[N+](=O)[O-])[nH]n1 ZINC001648434542 1074997540 /nfs/dbraw/zinc/99/75/40/1074997540.db2.gz WTPUTQMGRIXZNX-CQSZACIVSA-N 1 1 318.381 2.358 20 5 DEBDMO C[C@@]12CSC[C@@H]1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001560204513 1075134073 /nfs/dbraw/zinc/13/40/73/1075134073.db2.gz NZDBVVBPNWYEIK-AEGPPILISA-N 1 1 308.403 2.313 20 5 DEBDMO Cc1cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001584244598 1076292363 /nfs/dbraw/zinc/29/23/63/1076292363.db2.gz SNAQXAYSFAGBME-UHFFFAOYSA-N 1 1 303.293 2.349 20 5 DEBDMO CCc1nc([C@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)n[nH]1 ZINC001620887624 1076686079 /nfs/dbraw/zinc/68/60/79/1076686079.db2.gz KUFWUWUJRXVTTD-VIFPVBQESA-N 1 1 305.338 2.135 20 5 DEBDMO C[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC001591126441 1076709188 /nfs/dbraw/zinc/70/91/88/1076709188.db2.gz WARYWMRKSWQXMB-JTQLQIEISA-N 1 1 316.365 2.253 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC001597287720 1077092269 /nfs/dbraw/zinc/09/22/69/1077092269.db2.gz NKNJNRZHDYGQIZ-LBPRGKRZSA-N 1 1 321.377 2.208 20 5 DEBDMO Cc1[nH]c(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001652319106 1079869074 /nfs/dbraw/zinc/86/90/74/1079869074.db2.gz JNQATWCDDOIVBP-UHFFFAOYSA-N 1 1 323.740 2.100 20 5 DEBDMO Cn1cc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nn1 ZINC001655066257 1079985920 /nfs/dbraw/zinc/98/59/20/1079985920.db2.gz MLMXZNWOCCPBJB-GFCCVEGCSA-N 1 1 319.340 2.242 20 5 DEBDMO Cn1cc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nn1 ZINC001655066257 1079985923 /nfs/dbraw/zinc/98/59/23/1079985923.db2.gz MLMXZNWOCCPBJB-GFCCVEGCSA-N 1 1 319.340 2.242 20 5 DEBDMO Nc1nnc([C@@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC001655202909 1079989817 /nfs/dbraw/zinc/98/98/17/1079989817.db2.gz NGUFXWBAOUNPNZ-SECBINFHSA-N 1 1 309.351 2.001 20 5 DEBDMO Nc1nnc([C@@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC001655202909 1079989828 /nfs/dbraw/zinc/98/98/28/1079989828.db2.gz NGUFXWBAOUNPNZ-SECBINFHSA-N 1 1 309.351 2.001 20 5 DEBDMO C[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC001655551348 1080004736 /nfs/dbraw/zinc/00/47/36/1080004736.db2.gz DIKVUYSCFLOYHP-GFCCVEGCSA-N 1 1 324.340 2.454 20 5 DEBDMO O=C1OCC[C@@]12CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001655919097 1080024852 /nfs/dbraw/zinc/02/48/52/1080024852.db2.gz ODGZJGZTQSGCIU-CQSZACIVSA-N 1 1 310.737 2.387 20 5 DEBDMO O=C1OCC[C@@]12CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001655919097 1080024861 /nfs/dbraw/zinc/02/48/61/1080024861.db2.gz ODGZJGZTQSGCIU-CQSZACIVSA-N 1 1 310.737 2.387 20 5 DEBDMO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001660097993 1080266610 /nfs/dbraw/zinc/26/66/10/1080266610.db2.gz CFMFZYNSIMZROL-VIFPVBQESA-N 1 1 305.294 2.087 20 5 DEBDMO CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001662021285 1080562256 /nfs/dbraw/zinc/56/22/56/1080562256.db2.gz WVZVPZHXYCLDCN-HALDLXJZSA-N 1 1 317.389 2.331 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001663355497 1080736020 /nfs/dbraw/zinc/73/60/20/1080736020.db2.gz YCAQASIGIZJLJI-LLVKDONJSA-N 1 1 321.381 2.171 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC001669070970 1081425868 /nfs/dbraw/zinc/42/58/68/1081425868.db2.gz JSRQYCSZBDAIKG-GFCCVEGCSA-N 1 1 306.366 2.461 20 5 DEBDMO C[N@H+]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCC1(C)C ZINC001671659507 1081530550 /nfs/dbraw/zinc/53/05/50/1081530550.db2.gz DSNCDEKCQQRLTG-UHFFFAOYSA-N 1 1 321.381 2.125 20 5 DEBDMO N[C@@]1(C(F)(F)F)CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246566888 1140970917 /nfs/dbraw/zinc/97/09/17/1140970917.db2.gz GOXWYQYYSOWQTF-STQMWFEESA-N 1 1 315.295 2.028 20 5 DEBDMO N[C@@]1(C(F)(F)F)CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246566888 1140970929 /nfs/dbraw/zinc/97/09/29/1140970929.db2.gz GOXWYQYYSOWQTF-STQMWFEESA-N 1 1 315.295 2.028 20 5 DEBDMO [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccn2)no1 ZINC001248212322 1141732265 /nfs/dbraw/zinc/73/22/65/1141732265.db2.gz QAMNHGSYEHGTCG-LBPRGKRZSA-N 1 1 311.301 2.282 20 5 DEBDMO O=[N+]([O-])c1ccc2ncnc(N3CCC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC001323661147 1141874791 /nfs/dbraw/zinc/87/47/91/1141874791.db2.gz XBCIBJHURIYMFO-CYBMUJFWSA-N 1 1 313.361 2.213 20 5 DEBDMO C[C@H](C[NH+]1CCC(C)CC1)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336752608 1142558772 /nfs/dbraw/zinc/55/87/72/1142558772.db2.gz ZTONCPNCVGPDPP-PBHICJAKSA-N 1 1 321.421 2.338 20 5 DEBDMO Cc1nn(CN2CC[N@H+](C)C(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC001337169770 1142701402 /nfs/dbraw/zinc/70/14/02/1142701402.db2.gz PSDZOPJUSHBSNN-UHFFFAOYSA-N 1 1 317.393 2.236 20 5 DEBDMO Nc1cc(NCC[N@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC001337718431 1142793866 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RWLISHIPNBPOHX-CABCVRRESA-N 1 1 304.346 2.090 20 5 DEBDMO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1CC[N@@H+](C)C1 ZINC001261745437 1144274619 /nfs/dbraw/zinc/27/46/19/1144274619.db2.gz IJRCBXVPTVDZQR-LBPRGKRZSA-N 1 1 309.341 2.290 20 5 DEBDMO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC[N+](=O)[O-])Cc2ccccc21 ZINC001262570101 1144320390 /nfs/dbraw/zinc/32/03/90/1144320390.db2.gz NFYLBBRTBVNGIW-ZDUSSCGKSA-N 1 1 321.377 2.219 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCCCNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001262678806 1144326690 /nfs/dbraw/zinc/32/66/90/1144326690.db2.gz OSGHHUXONKFTQQ-LBPRGKRZSA-N 1 1 307.398 2.496 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001353395401 1151828203 /nfs/dbraw/zinc/82/82/03/1151828203.db2.gz RQQAQLNBCWMAPI-MWLCHTKSSA-N 1 1 310.329 2.338 20 5 DEBDMO C/C(=C\C(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001492206063 1147147025 /nfs/dbraw/zinc/14/70/25/1147147025.db2.gz KFUNVFRHUAZBOJ-ACCUITESSA-N 1 1 317.389 2.499 20 5 DEBDMO 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321.377 2.160 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000411065706 529388577 /nfs/dbraw/zinc/38/85/77/529388577.db2.gz VTGFQIJGKLOCME-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c([N+](=O)[O-])cc1F ZINC000184213681 282248286 /nfs/dbraw/zinc/24/82/86/282248286.db2.gz DGGJTVUHUHXWDG-FOSCPWQOSA-N 1 1 310.325 2.230 20 5 DEBDMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c([N+](=O)[O-])cc1F ZINC000184213681 282248291 /nfs/dbraw/zinc/24/82/91/282248291.db2.gz DGGJTVUHUHXWDG-FOSCPWQOSA-N 1 1 310.325 2.230 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000613779180 362206401 /nfs/dbraw/zinc/20/64/01/362206401.db2.gz BTCFZAAITKBODI-GFCCVEGCSA-N 1 1 306.366 2.461 20 5 DEBDMO CC[C@]1(CO)CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000189612907 282314357 /nfs/dbraw/zinc/31/43/57/282314357.db2.gz FSYSRIKZRPXYJI-MRXNPFEDSA-N 1 1 324.377 2.219 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 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1 1 305.378 2.462 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000174485278 198340524 /nfs/dbraw/zinc/34/05/24/198340524.db2.gz AUHWYJYSHGWWAX-CYBMUJFWSA-N 1 1 305.378 2.317 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000174485265 198341033 /nfs/dbraw/zinc/34/10/33/198341033.db2.gz AUHWYJYSHGWWAX-ZDUSSCGKSA-N 1 1 305.378 2.317 20 5 DEBDMO COc1ccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047145653 354308285 /nfs/dbraw/zinc/30/82/85/354308285.db2.gz KYTBCTRURQBHRJ-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000047676662 354327048 /nfs/dbraw/zinc/32/70/48/354327048.db2.gz IGAWWMMSCSOTTH-UHFFFAOYSA-N 1 1 302.334 2.228 20 5 DEBDMO CC(C)[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068800371 354833860 /nfs/dbraw/zinc/83/38/60/354833860.db2.gz TUDHXSSGLGJWNW-UHFFFAOYSA-N 1 1 305.378 2.080 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000069138893 354851611 /nfs/dbraw/zinc/85/16/11/354851611.db2.gz LREFUXQAGKCKEC-CYBMUJFWSA-N 1 1 305.378 2.365 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000072874801 354927773 /nfs/dbraw/zinc/92/77/73/354927773.db2.gz WOUVVACLGFBSFE-NSHDSACASA-N 1 1 305.334 2.377 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000072945112 354931226 /nfs/dbraw/zinc/93/12/26/354931226.db2.gz ZRNMXBIFVWAANM-KGLIPLIRSA-N 1 1 321.425 2.419 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000595587654 358493089 /nfs/dbraw/zinc/49/30/89/358493089.db2.gz JLJRGVGHZWQDBV-CQSZACIVSA-N 1 1 320.393 2.187 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000292317314 283105998 /nfs/dbraw/zinc/10/59/98/283105998.db2.gz STTWMGUQAKTALY-OAHLLOKOSA-N 1 1 323.780 2.416 20 5 DEBDMO CCOC(=O)C[C@H](C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000182668849 356138870 /nfs/dbraw/zinc/13/88/70/356138870.db2.gz IQXNRIQDUICDBT-LBPRGKRZSA-N 1 1 310.350 2.247 20 5 DEBDMO CC[N@@H+](CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000185165963 356202522 /nfs/dbraw/zinc/20/25/22/356202522.db2.gz MVYODIJIJZFTEK-NSHDSACASA-N 1 1 323.368 2.438 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000324172247 356456918 /nfs/dbraw/zinc/45/69/18/356456918.db2.gz VRIIVLWVCKPCOV-GFCCVEGCSA-N 1 1 319.361 2.223 20 5 DEBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000319527235 356441659 /nfs/dbraw/zinc/44/16/59/356441659.db2.gz DXXBWRRIIFYOKO-NSHDSACASA-N 1 1 314.336 2.190 20 5 DEBDMO CCOC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000081520378 192278540 /nfs/dbraw/zinc/27/85/40/192278540.db2.gz UINIUKJGLCLVFI-CYBMUJFWSA-N 1 1 321.377 2.282 20 5 DEBDMO CC(C)[N@@H+]1CCO[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351180489 356627375 /nfs/dbraw/zinc/62/73/75/356627375.db2.gz IDSMLZPPEHWLFK-CYBMUJFWSA-N 1 1 318.333 2.427 20 5 DEBDMO CC(C)[N@H+]1CCO[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351180489 356627380 /nfs/dbraw/zinc/62/73/80/356627380.db2.gz IDSMLZPPEHWLFK-CYBMUJFWSA-N 1 1 318.333 2.427 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000579370110 356965565 /nfs/dbraw/zinc/96/55/65/356965565.db2.gz YDHXKRIWOMGIIG-HUUCEWRRSA-N 1 1 319.405 2.452 20 5 DEBDMO C[C@@H]1C[C@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000580987690 357111568 /nfs/dbraw/zinc/11/15/68/357111568.db2.gz QFVSOHFTOUUMRK-MNOVXSKESA-N 1 1 309.391 2.070 20 5 DEBDMO C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000590083696 357516898 /nfs/dbraw/zinc/51/68/98/357516898.db2.gz IECSLOMFNIVMPG-IAQYHMDHSA-N 1 1 316.361 2.274 20 5 DEBDMO C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000590083696 357516899 /nfs/dbraw/zinc/51/68/99/357516899.db2.gz IECSLOMFNIVMPG-IAQYHMDHSA-N 1 1 316.361 2.274 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000590550766 357556409 /nfs/dbraw/zinc/55/64/09/357556409.db2.gz RTJQLVZNXMKBMQ-LBPRGKRZSA-N 1 1 321.377 2.118 20 5 DEBDMO CCNc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000591004697 357658998 /nfs/dbraw/zinc/65/89/98/357658998.db2.gz PYYAIFVEOCZMHA-ZDUSSCGKSA-N 1 1 320.393 2.193 20 5 DEBDMO CCNc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000591004697 357659001 /nfs/dbraw/zinc/65/90/01/357659001.db2.gz PYYAIFVEOCZMHA-ZDUSSCGKSA-N 1 1 320.393 2.193 20 5 DEBDMO C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000449345982 283274133 /nfs/dbraw/zinc/27/41/33/283274133.db2.gz KUTFKOQLFIOERB-LBPRGKRZSA-N 1 1 305.378 2.217 20 5 DEBDMO C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000449345982 283274136 /nfs/dbraw/zinc/27/41/36/283274136.db2.gz KUTFKOQLFIOERB-LBPRGKRZSA-N 1 1 305.378 2.217 20 5 DEBDMO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000611938862 540268767 /nfs/dbraw/zinc/26/87/67/540268767.db2.gz AALAQKGAYYCWCG-NSHDSACASA-N 1 1 314.345 2.248 20 5 DEBDMO CC[NH+](CC)C[C@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591739559 357756149 /nfs/dbraw/zinc/75/61/49/357756149.db2.gz HOPCNRKFEANDMH-ZDUSSCGKSA-N 1 1 322.409 2.243 20 5 DEBDMO CC[C@H]1CN(C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591849952 357768243 /nfs/dbraw/zinc/76/82/43/357768243.db2.gz BAIJZLRHLSDJOW-AWEZNQCLSA-N 1 1 307.394 2.390 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591849952 357768248 /nfs/dbraw/zinc/76/82/48/357768248.db2.gz BAIJZLRHLSDJOW-AWEZNQCLSA-N 1 1 307.394 2.390 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591849952 357768253 /nfs/dbraw/zinc/76/82/53/357768253.db2.gz BAIJZLRHLSDJOW-AWEZNQCLSA-N 1 1 307.394 2.390 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCc2ccccc21 ZINC000179313774 199014151 /nfs/dbraw/zinc/01/41/51/199014151.db2.gz DXTCDCSJBHSIHX-MRXNPFEDSA-N 1 1 313.357 2.376 20 5 DEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000593062588 357999133 /nfs/dbraw/zinc/99/91/33/357999133.db2.gz OHWJJLDYFPWADX-WFASDCNBSA-N 1 1 321.377 2.423 20 5 DEBDMO O=C(CC[N@@H+]1CCCCC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000594016695 358189818 /nfs/dbraw/zinc/18/98/18/358189818.db2.gz DWEQUNGLBXRDDI-HNNXBMFYSA-N 1 1 321.377 2.160 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(F)cc([N+](=O)[O-])c1 ZINC000594196805 358221664 /nfs/dbraw/zinc/22/16/64/358221664.db2.gz NGLKSHRKZBGKMT-HUUCEWRRSA-N 1 1 321.352 2.481 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)c(F)c1 ZINC000594517656 358287881 /nfs/dbraw/zinc/28/78/81/358287881.db2.gz LSEIZBHMHVPYHP-HOTGVXAUSA-N 1 1 302.305 2.482 20 5 DEBDMO COc1cc(CN[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1O ZINC000594957195 358368269 /nfs/dbraw/zinc/36/82/69/358368269.db2.gz PNSATCVFJNSXHN-LBPRGKRZSA-N 1 1 323.393 2.271 20 5 DEBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595678646 358519817 /nfs/dbraw/zinc/51/98/17/358519817.db2.gz SBKXTRMYVMSQGG-CJNGLKHVSA-N 1 1 308.378 2.457 20 5 DEBDMO Cc1noc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388900 358437206 /nfs/dbraw/zinc/43/72/06/358437206.db2.gz YOMZZCZHCFBHLP-JSGCOSHPSA-N 1 1 320.393 2.340 20 5 DEBDMO Cc1noc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000595395398 358439536 /nfs/dbraw/zinc/43/95/36/358439536.db2.gz VGRJLEQERNCXLZ-JQWIXIFHSA-N 1 1 305.338 2.171 20 5 DEBDMO Cc1noc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000595395398 358439539 /nfs/dbraw/zinc/43/95/39/358439539.db2.gz VGRJLEQERNCXLZ-JQWIXIFHSA-N 1 1 305.338 2.171 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H]4C[C@H]4C3)n2)c1 ZINC000595810005 358554091 /nfs/dbraw/zinc/55/40/91/358554091.db2.gz VLYGOGYALHYUGS-JQWIXIFHSA-N 1 1 300.318 2.487 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H]4C[C@H]4C3)n2)c1 ZINC000595810005 358554094 /nfs/dbraw/zinc/55/40/94/358554094.db2.gz VLYGOGYALHYUGS-JQWIXIFHSA-N 1 1 300.318 2.487 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596086394 358607118 /nfs/dbraw/zinc/60/71/18/358607118.db2.gz YMSIZYDZTRKOER-VXGBXAGGSA-N 1 1 320.393 2.226 20 5 DEBDMO Cc1[nH+]ccn1CCCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596145116 358621989 /nfs/dbraw/zinc/62/19/89/358621989.db2.gz GOODPQHWRMPQIS-UHFFFAOYSA-N 1 1 317.349 2.091 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000597207959 358854045 /nfs/dbraw/zinc/85/40/45/358854045.db2.gz XVOCTKSWBBATFR-LPDYGMJQSA-N 1 1 306.362 2.345 20 5 DEBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597925862 359043808 /nfs/dbraw/zinc/04/38/08/359043808.db2.gz XKMDXNDOSZJSSM-JTQLQIEISA-N 1 1 323.397 2.044 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597926033 359044654 /nfs/dbraw/zinc/04/46/54/359044654.db2.gz ZTVDYCXWJUFKHP-NSHDSACASA-N 1 1 321.377 2.206 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000598341782 359169394 /nfs/dbraw/zinc/16/93/94/359169394.db2.gz GCQRQCCBVQPQKW-GFCCVEGCSA-N 1 1 311.769 2.462 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000598676465 359286403 /nfs/dbraw/zinc/28/64/03/359286403.db2.gz IJZHQMSBGKIPEC-AAEUAGOBSA-N 1 1 324.377 2.062 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)Nc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598627044 359266907 /nfs/dbraw/zinc/26/69/07/359266907.db2.gz NYXGBPDMHMUQKO-NSHDSACASA-N 1 1 324.381 2.309 20 5 DEBDMO COc1cc(CNC[C@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000598994019 359378810 /nfs/dbraw/zinc/37/88/10/359378810.db2.gz FULLAYVYWZOYQO-GFCCVEGCSA-N 1 1 323.393 2.131 20 5 DEBDMO CC(C)c1ccc(C[N@@H+](C)[C@@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000600178236 359678114 /nfs/dbraw/zinc/67/81/14/359678114.db2.gz IMMQVQZDFFCBAB-MRXNPFEDSA-N 1 1 308.378 2.301 20 5 DEBDMO Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000600310308 359718908 /nfs/dbraw/zinc/71/89/08/359718908.db2.gz HWOHDVCJLPPRBV-CYBMUJFWSA-N 1 1 305.378 2.365 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000600313796 359720028 /nfs/dbraw/zinc/72/00/28/359720028.db2.gz JZLZTWVLZOXORG-LBPRGKRZSA-N 1 1 323.368 2.125 20 5 DEBDMO C[N@H+]1CCC[C@H](CNc2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601115580 359926344 /nfs/dbraw/zinc/92/63/44/359926344.db2.gz JCHQNZZSIBKSFI-GFCCVEGCSA-N 1 1 300.362 2.319 20 5 DEBDMO C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)S1=O ZINC000601151840 359944139 /nfs/dbraw/zinc/94/41/39/359944139.db2.gz FYOBSHSVVCGZRM-QWRGUYRKSA-N 1 1 319.386 2.489 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601631720 360094187 /nfs/dbraw/zinc/09/41/87/360094187.db2.gz HMDPCABEOGUJBA-LLVKDONJSA-N 1 1 309.341 2.196 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)Cn1cc[nH+]c1C1CC1 ZINC000601958516 360208758 /nfs/dbraw/zinc/20/87/58/360208758.db2.gz IVWXDTAGIWTTJO-GFCCVEGCSA-N 1 1 303.318 2.109 20 5 DEBDMO COc1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000602078925 360257881 /nfs/dbraw/zinc/25/78/81/360257881.db2.gz CAWRMIYLHPYLLL-UHFFFAOYSA-N 1 1 323.393 2.198 20 5 DEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+]1C1CCCC1 ZINC000602107465 360266992 /nfs/dbraw/zinc/26/69/92/360266992.db2.gz FRDMDUQMISJTRJ-MRXNPFEDSA-N 1 1 317.389 2.270 20 5 DEBDMO CO[C@]1(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCOC1 ZINC000602440728 360374074 /nfs/dbraw/zinc/37/40/74/360374074.db2.gz SHEKFKKHQQJXHE-INIZCTEOSA-N 1 1 306.362 2.365 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000602875257 360603301 /nfs/dbraw/zinc/60/33/01/360603301.db2.gz YLCJDWXTXZEMIT-CQSZACIVSA-N 1 1 308.382 2.133 20 5 DEBDMO CC[C@]1(O)CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602983398 360654315 /nfs/dbraw/zinc/65/43/15/360654315.db2.gz JJCINONZLJQYFT-WBMJQRKESA-N 1 1 321.377 2.159 20 5 DEBDMO CC[C@]1(O)CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602983398 360654323 /nfs/dbraw/zinc/65/43/23/360654323.db2.gz JJCINONZLJQYFT-WBMJQRKESA-N 1 1 321.377 2.159 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000271920072 209325142 /nfs/dbraw/zinc/32/51/42/209325142.db2.gz KDFUGGVOGBGVAX-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000604476346 360908717 /nfs/dbraw/zinc/90/87/17/360908717.db2.gz UIWPQEBCLJINJA-UONOGXRCSA-N 1 1 318.377 2.021 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CCO)C1 ZINC000609848930 361344004 /nfs/dbraw/zinc/34/40/04/361344004.db2.gz QHFAPYORWDEQIY-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CCO)C1 ZINC000609848930 361344010 /nfs/dbraw/zinc/34/40/10/361344010.db2.gz QHFAPYORWDEQIY-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000610924483 361492952 /nfs/dbraw/zinc/49/29/52/361492952.db2.gz QZFAEBJXRIRQEM-LLVKDONJSA-N 1 1 323.397 2.044 20 5 DEBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCCCO1 ZINC000611264787 361564466 /nfs/dbraw/zinc/56/44/66/361564466.db2.gz ACTAHFCSQVLHPA-ZDUSSCGKSA-N 1 1 322.361 2.367 20 5 DEBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCCCO1 ZINC000611264787 361564472 /nfs/dbraw/zinc/56/44/72/361564472.db2.gz ACTAHFCSQVLHPA-ZDUSSCGKSA-N 1 1 322.361 2.367 20 5 DEBDMO C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000611414305 361595729 /nfs/dbraw/zinc/59/57/29/361595729.db2.gz QZIIWCMKGJPOAZ-STQMWFEESA-N 1 1 324.450 2.119 20 5 DEBDMO C[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000611297277 361574960 /nfs/dbraw/zinc/57/49/60/361574960.db2.gz XFXPLWAFNNWXNY-VIFPVBQESA-N 1 1 301.293 2.337 20 5 DEBDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000611554507 361630152 /nfs/dbraw/zinc/63/01/52/361630152.db2.gz SICCCNXOAZNZQN-VHSXEESVSA-N 1 1 306.288 2.454 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611824588 361690331 /nfs/dbraw/zinc/69/03/31/361690331.db2.gz QPOZRYZZNVOMJI-NSHDSACASA-N 1 1 322.365 2.161 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000619566965 363828055 /nfs/dbraw/zinc/82/80/55/363828055.db2.gz CWJJFVNQKRWHHV-LLVKDONJSA-N 1 1 309.341 2.290 20 5 DEBDMO Cn1cc(CCC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000619785248 363876997 /nfs/dbraw/zinc/87/69/97/363876997.db2.gz UWMFWDOGVLSFGL-UHFFFAOYSA-N 1 1 302.378 2.435 20 5 DEBDMO COc1ccc(OCC[N@@H+]2CC[C@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451542404 243087695 /nfs/dbraw/zinc/08/76/95/243087695.db2.gz JQDTURJKOLYLLI-WFASDCNBSA-N 1 1 324.377 2.339 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451566334 243124012 /nfs/dbraw/zinc/12/40/12/243124012.db2.gz MASZNAGEHZFRSK-SWLSCSKDSA-N 1 1 321.377 2.280 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCc3ccccc3CC2)n1 ZINC000451713589 243353610 /nfs/dbraw/zinc/35/36/10/243353610.db2.gz STZPRABXYPYCMY-UHFFFAOYSA-N 1 1 300.362 2.282 20 5 DEBDMO Cc1ccc(C(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000264893598 204244859 /nfs/dbraw/zinc/24/48/59/204244859.db2.gz FSNFQNPPTQRFPA-UHFFFAOYSA-N 1 1 303.362 2.214 20 5 DEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264892026 204245808 /nfs/dbraw/zinc/24/58/08/204245808.db2.gz FHDQFXSDDMUAOU-ZDUSSCGKSA-N 1 1 320.393 2.171 20 5 DEBDMO COCCCn1nccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000282646809 217149427 /nfs/dbraw/zinc/14/94/27/217149427.db2.gz LPQCWYVCSVSSTF-UHFFFAOYSA-N 1 1 304.350 2.118 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288333568 220091531 /nfs/dbraw/zinc/09/15/31/220091531.db2.gz ILQBHSWZSMYNQZ-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288333568 220091534 /nfs/dbraw/zinc/09/15/34/220091534.db2.gz ILQBHSWZSMYNQZ-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO C[C@@H]1[C@@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@H+]1Cc1ccccc1 ZINC000288363193 220108984 /nfs/dbraw/zinc/10/89/84/220108984.db2.gz XUXHKEGRNQEKQZ-OCCSQVGLSA-N 1 1 315.377 2.403 20 5 DEBDMO COCCn1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000283001390 217380042 /nfs/dbraw/zinc/38/00/42/217380042.db2.gz KSXFWKUKDNEBKE-UHFFFAOYSA-N 1 1 318.377 2.112 20 5 DEBDMO O=C(C[NH+]1CCCCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000023693698 182366791 /nfs/dbraw/zinc/36/67/91/182366791.db2.gz DMWOJVCUQCUNFM-UHFFFAOYSA-N 1 1 321.333 2.138 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3Cl)CC2)cn1 ZINC000530934360 284487393 /nfs/dbraw/zinc/48/73/93/284487393.db2.gz CAEJHFGHWXUWMK-UHFFFAOYSA-N 1 1 319.752 2.365 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492383888 249052669 /nfs/dbraw/zinc/05/26/69/249052669.db2.gz MHQYECFMSJYCIE-LWSHCTJVSA-N 1 1 321.352 2.298 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000040623821 183111199 /nfs/dbraw/zinc/11/11/99/183111199.db2.gz KUNBZUGZBCZGKQ-JTQLQIEISA-N 1 1 309.395 2.446 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492976380 249185945 /nfs/dbraw/zinc/18/59/45/249185945.db2.gz XVGSLIFYLZKLIH-CKXPSTMWSA-N 1 1 303.362 2.161 20 5 DEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000045753292 183528538 /nfs/dbraw/zinc/52/85/38/183528538.db2.gz OLIHZEXSROHNCB-GFCCVEGCSA-N 1 1 307.350 2.034 20 5 DEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000045753292 183528539 /nfs/dbraw/zinc/52/85/39/183528539.db2.gz OLIHZEXSROHNCB-GFCCVEGCSA-N 1 1 307.350 2.034 20 5 DEBDMO COc1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000268873142 207043038 /nfs/dbraw/zinc/04/30/38/207043038.db2.gz VUMDHQQKMUCKJI-GFCCVEGCSA-N 1 1 302.334 2.494 20 5 DEBDMO COc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000268873142 207043042 /nfs/dbraw/zinc/04/30/42/207043042.db2.gz VUMDHQQKMUCKJI-GFCCVEGCSA-N 1 1 302.334 2.494 20 5 DEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000119795527 195038042 /nfs/dbraw/zinc/03/80/42/195038042.db2.gz VUAPXTAPVNJNOY-LBPRGKRZSA-N 1 1 323.368 2.442 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cs1 ZINC000119891746 195057051 /nfs/dbraw/zinc/05/70/51/195057051.db2.gz DFEWEVAOGITTGY-LLVKDONJSA-N 1 1 307.379 2.160 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)cs1 ZINC000119891746 195057053 /nfs/dbraw/zinc/05/70/53/195057053.db2.gz DFEWEVAOGITTGY-LLVKDONJSA-N 1 1 307.379 2.160 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000270222635 208288589 /nfs/dbraw/zinc/28/85/89/208288589.db2.gz ZELGMRWSPYDXMV-XUJVJEKNSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000155312782 197042313 /nfs/dbraw/zinc/04/23/13/197042313.db2.gz OHPSFJISOACGPV-UVHIWXSVSA-N 1 1 303.362 2.159 20 5 DEBDMO Cc1cc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000543071238 285268358 /nfs/dbraw/zinc/26/83/58/285268358.db2.gz ZMSLRWSAGTUXNS-SNVBAGLBSA-N 1 1 318.333 2.398 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120754797 195231822 /nfs/dbraw/zinc/23/18/22/195231822.db2.gz UTSJSFVKPDOBAT-UHFFFAOYSA-N 1 1 322.409 2.168 20 5 DEBDMO COc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000194450164 533394108 /nfs/dbraw/zinc/39/41/08/533394108.db2.gz QQPUWECGNZFXFR-YPMHNXCESA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000562683123 292002386 /nfs/dbraw/zinc/00/23/86/292002386.db2.gz KNJMKAGZWRSBKB-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000355519782 133031275 /nfs/dbraw/zinc/03/12/75/133031275.db2.gz JQVXREVJPHWZPC-UHFFFAOYSA-N 1 1 303.362 2.285 20 5 DEBDMO C[C@@H](C(=O)NCC[N@@H+]1CC=CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000357615274 133088477 /nfs/dbraw/zinc/08/84/77/133088477.db2.gz CUUOMADMURVBJX-GFCCVEGCSA-N 1 1 321.352 2.216 20 5 DEBDMO CC1=CC[N@@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000358150335 133124627 /nfs/dbraw/zinc/12/46/27/133124627.db2.gz ZWMALGGKQJCJKZ-UHFFFAOYSA-N 1 1 304.350 2.368 20 5 DEBDMO Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000372587388 133359225 /nfs/dbraw/zinc/35/92/25/133359225.db2.gz MSBXQDHNYHIDGI-KBPBESRZSA-N 1 1 303.362 2.260 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000372960509 133371674 /nfs/dbraw/zinc/37/16/74/133371674.db2.gz WEIIVVSSXCVHCF-WFASDCNBSA-N 1 1 318.377 2.461 20 5 DEBDMO Cn1c[nH+]cc1CCCn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000563437854 292057220 /nfs/dbraw/zinc/05/72/20/292057220.db2.gz CXDZFMZZEMZIFH-UHFFFAOYSA-N 1 1 312.329 2.276 20 5 DEBDMO C[NH2+]C[C@@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000262116037 145263192 /nfs/dbraw/zinc/26/31/92/145263192.db2.gz KFDNPFFCKLXANG-LBPRGKRZSA-N 1 1 300.362 2.497 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342608744 145646053 /nfs/dbraw/zinc/64/60/53/145646053.db2.gz UAKCHKBYPXZFGJ-IUODEOHRSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346158913 146027327 /nfs/dbraw/zinc/02/73/27/146027327.db2.gz CRUYXYBRUXJBMT-HEHGZKQESA-N 1 1 317.389 2.397 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000348391970 146265049 /nfs/dbraw/zinc/26/50/49/146265049.db2.gz ADVMZQBSLHBTFV-RYUDHWBXSA-N 1 1 321.377 2.206 20 5 DEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358349636 147117420 /nfs/dbraw/zinc/11/74/20/147117420.db2.gz ZJOYZTMCWABYBG-OLZOCXBDSA-N 1 1 321.352 2.019 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C(C)C ZINC000358777301 147202790 /nfs/dbraw/zinc/20/27/90/147202790.db2.gz FKAMWILBYFPUCH-UHFFFAOYSA-N 1 1 323.393 2.372 20 5 DEBDMO Cc1c(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000358927254 147232419 /nfs/dbraw/zinc/23/24/19/147232419.db2.gz GMXOKBBDYDSVPI-FZMZJTMJSA-N 1 1 320.393 2.185 20 5 DEBDMO Cc1c(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000565574097 292171493 /nfs/dbraw/zinc/17/14/93/292171493.db2.gz AHGKJRUAULNBLO-CYBMUJFWSA-N 1 1 320.393 2.044 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000374873185 148299052 /nfs/dbraw/zinc/29/90/52/148299052.db2.gz GYKGNHYTSIHZBY-IINYFYTJSA-N 1 1 323.780 2.414 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000073758376 401721373 /nfs/dbraw/zinc/72/13/73/401721373.db2.gz FDBTYSSZZQYQCB-SWLSCSKDSA-N 1 1 320.393 2.439 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000073994280 401726920 /nfs/dbraw/zinc/72/69/20/401726920.db2.gz SQQIXELOBSBNLA-KGLIPLIRSA-N 1 1 303.362 2.212 20 5 DEBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000073997014 401727184 /nfs/dbraw/zinc/72/71/84/401727184.db2.gz PLWLQPFQHPZEII-CMPLNLGQSA-N 1 1 307.325 2.043 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007724445 401743279 /nfs/dbraw/zinc/74/32/79/401743279.db2.gz BHWAXYRFINRNSZ-LLVKDONJSA-N 1 1 311.769 2.462 20 5 DEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111275774 401706353 /nfs/dbraw/zinc/70/63/53/401706353.db2.gz UAMZTGBEFGZTHP-QWHCGFSZSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000111461178 401716145 /nfs/dbraw/zinc/71/61/45/401716145.db2.gz GOQUHGJTZXVMFM-OAHLLOKOSA-N 1 1 320.393 2.268 20 5 DEBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)(C)O ZINC000114487349 401801968 /nfs/dbraw/zinc/80/19/68/401801968.db2.gz AVIMSCMPKKJYKB-UHFFFAOYSA-N 1 1 310.350 2.054 20 5 DEBDMO COC[C@@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000112985951 401763344 /nfs/dbraw/zinc/76/33/44/401763344.db2.gz ZHMCLWXYQBPUTJ-CYBMUJFWSA-N 1 1 321.377 2.200 20 5 DEBDMO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000112985951 401763347 /nfs/dbraw/zinc/76/33/47/401763347.db2.gz ZHMCLWXYQBPUTJ-CYBMUJFWSA-N 1 1 321.377 2.200 20 5 DEBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC1CC1 ZINC000112983551 401763566 /nfs/dbraw/zinc/76/35/66/401763566.db2.gz MRWHUZBYRARBBA-UHFFFAOYSA-N 1 1 307.350 2.274 20 5 DEBDMO COC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000112989930 401763923 /nfs/dbraw/zinc/76/39/23/401763923.db2.gz DCRGNYCCXVBQHK-CYBMUJFWSA-N 1 1 321.377 2.282 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000075889761 401773313 /nfs/dbraw/zinc/77/33/13/401773313.db2.gz FKJZPVNTDUTCSQ-ZDUSSCGKSA-N 1 1 323.368 2.031 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000075889761 401773315 /nfs/dbraw/zinc/77/33/15/401773315.db2.gz FKJZPVNTDUTCSQ-ZDUSSCGKSA-N 1 1 323.368 2.031 20 5 DEBDMO CO[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076344708 401791807 /nfs/dbraw/zinc/79/18/07/401791807.db2.gz TZSCYOGIEQKCNR-CYBMUJFWSA-N 1 1 318.333 2.256 20 5 DEBDMO CO[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076344708 401791808 /nfs/dbraw/zinc/79/18/08/401791808.db2.gz TZSCYOGIEQKCNR-CYBMUJFWSA-N 1 1 318.333 2.256 20 5 DEBDMO NC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000025931217 401837897 /nfs/dbraw/zinc/83/78/97/401837897.db2.gz AHOQVLQYCHLENP-UHFFFAOYSA-N 1 1 313.357 2.472 20 5 DEBDMO Cc1[nH+]ccn1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117334737 401874984 /nfs/dbraw/zinc/87/49/84/401874984.db2.gz QYLDWGKCPDHHQC-UHFFFAOYSA-N 1 1 302.290 2.098 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134295177 401901680 /nfs/dbraw/zinc/90/16/80/401901680.db2.gz RICVCYNCUGUJNY-LBPRGKRZSA-N 1 1 321.352 2.481 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134668245 401910597 /nfs/dbraw/zinc/91/05/97/401910597.db2.gz SQHUKUOLABFBKF-UHFFFAOYSA-N 1 1 318.377 2.075 20 5 DEBDMO C[C@@]1(O)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089908115 401973185 /nfs/dbraw/zinc/97/31/85/401973185.db2.gz PHEKKOLTNMBEDA-OAHLLOKOSA-N 1 1 303.318 2.207 20 5 DEBDMO C[C@@]1(O)CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089908115 401973189 /nfs/dbraw/zinc/97/31/89/401973189.db2.gz PHEKKOLTNMBEDA-OAHLLOKOSA-N 1 1 303.318 2.207 20 5 DEBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050445125 402028600 /nfs/dbraw/zinc/02/86/00/402028600.db2.gz KIJUXZWUYJOTDT-SECBINFHSA-N 1 1 300.742 2.489 20 5 DEBDMO CN(C(=O)C[N@H+]1CCC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000122935837 402102269 /nfs/dbraw/zinc/10/22/69/402102269.db2.gz PHKSYMFXKPHDBH-UHFFFAOYSA-N 1 1 303.362 2.434 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000123036269 402107391 /nfs/dbraw/zinc/10/73/91/402107391.db2.gz DMTYLCHYSNXKFW-QWRGUYRKSA-N 1 1 307.350 2.415 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000123242869 402117525 /nfs/dbraw/zinc/11/75/25/402117525.db2.gz UZPJHPYCTBDDDZ-UHFFFAOYSA-N 1 1 319.361 2.418 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2CCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000123242869 402117527 /nfs/dbraw/zinc/11/75/27/402117527.db2.gz UZPJHPYCTBDDDZ-UHFFFAOYSA-N 1 1 319.361 2.418 20 5 DEBDMO CCCc1[nH+]ccn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000151903783 402064636 /nfs/dbraw/zinc/06/46/36/402064636.db2.gz UJIRBIJCFKSILI-CYBMUJFWSA-N 1 1 305.334 2.184 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000154005799 402186552 /nfs/dbraw/zinc/18/65/52/402186552.db2.gz LXNZZQGPGJNUTG-KXPUMZMLSA-N 1 1 317.389 2.407 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@](C)(O)C1 ZINC000124924551 402203875 /nfs/dbraw/zinc/20/38/75/402203875.db2.gz LIQLLEKASHJMBJ-INIZCTEOSA-N 1 1 321.377 2.079 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153728375 402166184 /nfs/dbraw/zinc/16/61/84/402166184.db2.gz NUFMTXKSMVWBDV-WCQYABFASA-N 1 1 319.361 2.277 20 5 DEBDMO CC(C)CO[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154451094 402213397 /nfs/dbraw/zinc/21/33/97/402213397.db2.gz STKIIMKIXZPOJA-CVEARBPZSA-N 1 1 308.378 2.375 20 5 DEBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1C[N@H+](C)CCO1 ZINC000154806890 402233626 /nfs/dbraw/zinc/23/36/26/402233626.db2.gz MOCPHEWQZNBPPE-BZNIZROVSA-N 1 1 316.361 2.274 20 5 DEBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000154806890 402233630 /nfs/dbraw/zinc/23/36/30/402233630.db2.gz MOCPHEWQZNBPPE-BZNIZROVSA-N 1 1 316.361 2.274 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000107893377 402243061 /nfs/dbraw/zinc/24/30/61/402243061.db2.gz OUUJDEPYGSHPME-JTQLQIEISA-N 1 1 311.769 2.320 20 5 DEBDMO CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000108330094 402249674 /nfs/dbraw/zinc/24/96/74/402249674.db2.gz AYHSACHXUPKTAT-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO CSc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000108343915 402250272 /nfs/dbraw/zinc/25/02/72/402250272.db2.gz NIIICWYUHKRMRW-LLVKDONJSA-N 1 1 323.418 2.388 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCCSCC[NH+]1CCOCC1 ZINC000159776772 402330333 /nfs/dbraw/zinc/33/03/33/402330333.db2.gz PVOFUMRBDVCTPL-UHFFFAOYSA-N 1 1 312.391 2.039 20 5 DEBDMO CCC(CC)[N@@H+](CC(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000177865827 402441840 /nfs/dbraw/zinc/44/18/40/402441840.db2.gz HYWXTLDLXORQPF-OAHLLOKOSA-N 1 1 312.414 2.299 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000164092802 402460546 /nfs/dbraw/zinc/46/05/46/402460546.db2.gz ANNJSRYDJRTBHK-UKRRQHHQSA-N 1 1 317.389 2.460 20 5 DEBDMO CC[N@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000246974615 402551817 /nfs/dbraw/zinc/55/18/17/402551817.db2.gz JQTOILUFGJVGKQ-WFASDCNBSA-N 1 1 307.394 2.423 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000170733171 402518100 /nfs/dbraw/zinc/51/81/00/402518100.db2.gz VUNVCKSSQXVEFS-ZDUSSCGKSA-N 1 1 305.378 2.381 20 5 DEBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000179119701 402573931 /nfs/dbraw/zinc/57/39/31/402573931.db2.gz DHYQNULQGUNYEN-LBPRGKRZSA-N 1 1 308.334 2.131 20 5 DEBDMO C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248643457 402600952 /nfs/dbraw/zinc/60/09/52/402600952.db2.gz ZOZSJKUZMKKQDR-VXGBXAGGSA-N 1 1 314.349 2.027 20 5 DEBDMO C[C@H](c1cnccn1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248643457 402600953 /nfs/dbraw/zinc/60/09/53/402600953.db2.gz ZOZSJKUZMKKQDR-VXGBXAGGSA-N 1 1 314.349 2.027 20 5 DEBDMO COc1ccc(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000566426416 292238645 /nfs/dbraw/zinc/23/86/45/292238645.db2.gz SGOAGEADIAEBFB-UONOGXRCSA-N 1 1 305.378 2.272 20 5 DEBDMO C[C@@H]1CC[C@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000190878409 402629257 /nfs/dbraw/zinc/62/92/57/402629257.db2.gz XZPFYALMTNRBOJ-MBNYWOFBSA-N 1 1 306.366 2.044 20 5 DEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1(CO)CCOCC1 ZINC000191039175 402637830 /nfs/dbraw/zinc/63/78/30/402637830.db2.gz YGVVUCSDUQELJW-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000181388744 402643482 /nfs/dbraw/zinc/64/34/82/402643482.db2.gz LRSOVXSQQKFMNX-GXTWGEPZSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000181388744 402643484 /nfs/dbraw/zinc/64/34/84/402643484.db2.gz LRSOVXSQQKFMNX-GXTWGEPZSA-N 1 1 321.377 2.077 20 5 DEBDMO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000182172004 402669628 /nfs/dbraw/zinc/66/96/28/402669628.db2.gz NZHILFJKGXVMGW-NSHDSACASA-N 1 1 300.318 2.279 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCc3cccnc3)C2)nc1 ZINC000173466823 402698895 /nfs/dbraw/zinc/69/88/95/402698895.db2.gz MIGPZEHRHBTVHA-CQSZACIVSA-N 1 1 313.361 2.114 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000192473241 402731413 /nfs/dbraw/zinc/73/14/13/402731413.db2.gz KGMCVBCOYURJSK-LBPRGKRZSA-N 1 1 305.378 2.365 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000174674965 402751904 /nfs/dbraw/zinc/75/19/04/402751904.db2.gz LDGKBDMKFWVFEZ-UHFFFAOYSA-N 1 1 309.366 2.065 20 5 DEBDMO CCOCC[NH+]1CCN(c2cccc(OCC)c2[N+](=O)[O-])CC1 ZINC000184110437 402818846 /nfs/dbraw/zinc/81/88/46/402818846.db2.gz DIFDTDIAQGXVHE-UHFFFAOYSA-N 1 1 323.393 2.152 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000194862741 402819259 /nfs/dbraw/zinc/81/92/59/402819259.db2.gz AYDNRMNQSNRTPI-KGLIPLIRSA-N 1 1 317.389 2.460 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2nonc21 ZINC000263921891 402820265 /nfs/dbraw/zinc/82/02/65/402820265.db2.gz VKUFKSDVOGPJDA-SECBINFHSA-N 1 1 314.305 2.238 20 5 DEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183632929 402783632 /nfs/dbraw/zinc/78/36/32/402783632.db2.gz OBDWCSZKSSTVPY-LBPRGKRZSA-N 1 1 321.381 2.376 20 5 DEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184405131 402841758 /nfs/dbraw/zinc/84/17/58/402841758.db2.gz IUNRFMRRZZMYQC-LBPRGKRZSA-N 1 1 320.393 2.171 20 5 DEBDMO COc1ccc(C[NH2+][C@@H](CCO)c2ccco2)cc1[N+](=O)[O-] ZINC000184506309 402847918 /nfs/dbraw/zinc/84/79/18/402847918.db2.gz ZIGVAUFWMDDOEN-LBPRGKRZSA-N 1 1 306.318 2.410 20 5 DEBDMO COCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000271337709 402859723 /nfs/dbraw/zinc/85/97/23/402859723.db2.gz RBWWCZOEJNBQRM-UHFFFAOYSA-N 1 1 304.350 2.133 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000264269612 402862001 /nfs/dbraw/zinc/86/20/01/402862001.db2.gz RNOWGEMYSPZPNB-ZDUSSCGKSA-N 1 1 321.377 2.094 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000278893401 402883120 /nfs/dbraw/zinc/88/31/20/402883120.db2.gz ZQUKMVOELXHLET-AAEUAGOBSA-N 1 1 303.362 2.116 20 5 DEBDMO Cc1c(NC(=O)NCC2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000272029761 402888752 /nfs/dbraw/zinc/88/87/52/402888752.db2.gz WJOOPEKEFLMOJY-UHFFFAOYSA-N 1 1 304.350 2.287 20 5 DEBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000264993037 402893668 /nfs/dbraw/zinc/89/36/68/402893668.db2.gz QYFDCXIQAMPYHF-HNNXBMFYSA-N 1 1 305.378 2.426 20 5 DEBDMO CCOc1ccc([C@@H](C)[NH2+]CCc2n[nH]c(C)n2)cc1[N+](=O)[O-] ZINC000272543417 402951074 /nfs/dbraw/zinc/95/10/74/402951074.db2.gz KVLGMMUIHGVBLP-SNVBAGLBSA-N 1 1 319.365 2.313 20 5 DEBDMO CCOc1ccc([C@@H](C)[NH2+]CCc2nnc(C)[nH]2)cc1[N+](=O)[O-] ZINC000272543417 402951076 /nfs/dbraw/zinc/95/10/76/402951076.db2.gz KVLGMMUIHGVBLP-SNVBAGLBSA-N 1 1 319.365 2.313 20 5 DEBDMO CC1(C)CC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000272596453 402957387 /nfs/dbraw/zinc/95/73/87/402957387.db2.gz QFMCUWNCVUHGFU-UHFFFAOYSA-N 1 1 321.377 2.339 20 5 DEBDMO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000279326628 402931144 /nfs/dbraw/zinc/93/11/44/402931144.db2.gz OLXMDIOUZMFLJB-WBMJQRKESA-N 1 1 306.362 2.473 20 5 DEBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000279326628 402931146 /nfs/dbraw/zinc/93/11/46/402931146.db2.gz OLXMDIOUZMFLJB-WBMJQRKESA-N 1 1 306.362 2.473 20 5 DEBDMO C[N@@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000265613631 402933566 /nfs/dbraw/zinc/93/35/66/402933566.db2.gz XWWUKEISDWYXOJ-UHFFFAOYSA-N 1 1 311.769 2.001 20 5 DEBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000273391571 403000376 /nfs/dbraw/zinc/00/03/76/403000376.db2.gz UYODCAYPPWVWCR-MGPQQGTHSA-N 1 1 308.378 2.455 20 5 DEBDMO CCc1ccc(C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000280276879 402982864 /nfs/dbraw/zinc/98/28/64/402982864.db2.gz QAWZPERSDXBGLG-UHFFFAOYSA-N 1 1 303.362 2.149 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000274336931 403046105 /nfs/dbraw/zinc/04/61/05/403046105.db2.gz CCZDJFUEBUZWNE-NOZJJQNGSA-N 1 1 323.780 2.461 20 5 DEBDMO C[C@H](CCN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000274430484 403055001 /nfs/dbraw/zinc/05/50/01/403055001.db2.gz DUDGXUZXEXYZJI-GFCCVEGCSA-N 1 1 310.373 2.172 20 5 DEBDMO C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)C[N@H+]1Cc1ccccc1 ZINC000268152316 403055045 /nfs/dbraw/zinc/05/50/45/403055045.db2.gz MXZYFOYZQVBNDD-GXTWGEPZSA-N 1 1 315.377 2.403 20 5 DEBDMO Cc1ccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268247772 403066601 /nfs/dbraw/zinc/06/66/01/403066601.db2.gz PZFKWNVLYVKWKA-FZMZJTMJSA-N 1 1 303.362 2.116 20 5 DEBDMO CC(C)C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000274681092 403078007 /nfs/dbraw/zinc/07/80/07/403078007.db2.gz MUNGOHAGFAFKPG-ZDUSSCGKSA-N 1 1 309.366 2.007 20 5 DEBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)(C)O ZINC000268591805 403096989 /nfs/dbraw/zinc/09/69/89/403096989.db2.gz USPYEQFSSGEOOQ-UHFFFAOYSA-N 1 1 323.393 2.325 20 5 DEBDMO Cn1ccnc1[C@@H]([NH2+]CCC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000274951164 403098385 /nfs/dbraw/zinc/09/83/85/403098385.db2.gz SGMNJMHEYCMURE-AWEZNQCLSA-N 1 1 318.377 2.168 20 5 DEBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCc3cccs3)CC2)s1 ZINC000282118551 403124503 /nfs/dbraw/zinc/12/45/03/403124503.db2.gz KIQCVQARRFCBRG-UHFFFAOYSA-N 1 1 324.431 2.478 20 5 DEBDMO COc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275772565 403122245 /nfs/dbraw/zinc/12/22/45/403122245.db2.gz YXPUHVZCIBSQCM-OCCSQVGLSA-N 1 1 307.394 2.375 20 5 DEBDMO COc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275772565 403122246 /nfs/dbraw/zinc/12/22/46/403122246.db2.gz YXPUHVZCIBSQCM-OCCSQVGLSA-N 1 1 307.394 2.375 20 5 DEBDMO COc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275772565 403122248 /nfs/dbraw/zinc/12/22/48/403122248.db2.gz YXPUHVZCIBSQCM-OCCSQVGLSA-N 1 1 307.394 2.375 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](CCCO)CC1 ZINC000276440598 403175406 /nfs/dbraw/zinc/17/54/06/403175406.db2.gz KONZWOZIHWYBKX-UHFFFAOYSA-N 1 1 313.785 2.061 20 5 DEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](CO)C2)c1 ZINC000269328746 403131274 /nfs/dbraw/zinc/13/12/74/403131274.db2.gz AXKPCBUPBRYFFK-JTQLQIEISA-N 1 1 316.304 2.401 20 5 DEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000269328746 403131275 /nfs/dbraw/zinc/13/12/75/403131275.db2.gz AXKPCBUPBRYFFK-JTQLQIEISA-N 1 1 316.304 2.401 20 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/nfs/dbraw/zinc/17/95/06/403179506.db2.gz QPIWFLZQUKNGBN-UHFFFAOYSA-N 1 1 309.341 2.082 20 5 DEBDMO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284081614 403243307 /nfs/dbraw/zinc/24/33/07/403243307.db2.gz LLTXJIHXOICCHG-MFKMUULPSA-N 1 1 309.322 2.238 20 5 DEBDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284081614 403243308 /nfs/dbraw/zinc/24/33/08/403243308.db2.gz LLTXJIHXOICCHG-MFKMUULPSA-N 1 1 309.322 2.238 20 5 DEBDMO C[C@@H]1C[N@@H+](CCCNCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277670776 403243519 /nfs/dbraw/zinc/24/35/19/403243519.db2.gz GDUFPVQHENXSHL-CQSZACIVSA-N 1 1 307.394 2.185 20 5 DEBDMO C[C@@H]1CN(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277670776 403243521 /nfs/dbraw/zinc/24/35/21/403243521.db2.gz GDUFPVQHENXSHL-CQSZACIVSA-N 1 1 307.394 2.185 20 5 DEBDMO C[C@]1(CCCO)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271206513 403278525 /nfs/dbraw/zinc/27/85/25/403278525.db2.gz SKOPWAIRWFIOOF-MRXNPFEDSA-N 1 1 321.377 2.160 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000271259603 403283476 /nfs/dbraw/zinc/28/34/76/403283476.db2.gz KMSXWEXKDIKNRP-UHFFFAOYSA-N 1 1 316.361 2.455 20 5 DEBDMO CCOc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330608268 403288835 /nfs/dbraw/zinc/28/88/35/403288835.db2.gz MSXSXPBFVHVEIX-RYUDHWBXSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330608268 403288838 /nfs/dbraw/zinc/28/88/38/403288838.db2.gz MSXSXPBFVHVEIX-RYUDHWBXSA-N 1 1 321.377 2.158 20 5 DEBDMO COc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000292251669 403333975 /nfs/dbraw/zinc/33/39/75/403333975.db2.gz KEBOVVZFKRZPHJ-HNNXBMFYSA-N 1 1 309.341 2.275 20 5 DEBDMO COc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000331146178 403338825 /nfs/dbraw/zinc/33/88/25/403338825.db2.gz NOHHGPFUUKOWEU-AWEZNQCLSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000285775548 403377433 /nfs/dbraw/zinc/37/74/33/403377433.db2.gz DQAUDIXWHLGLHO-ILXRZTDVSA-N 1 1 319.405 2.451 20 5 DEBDMO CC(C)[N@@H+](C)CCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000298461514 403387337 /nfs/dbraw/zinc/38/73/37/403387337.db2.gz WRUWUZZOXUXUCZ-MDZDMXLPSA-N 1 1 305.378 2.455 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1C ZINC000342934994 403401528 /nfs/dbraw/zinc/40/15/28/403401528.db2.gz QFOZEVVXEFGRLF-GHMZBOCLSA-N 1 1 316.361 2.289 20 5 DEBDMO O=C(CC[N@@H+]1CCC[C@H](CO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339756009 403439340 /nfs/dbraw/zinc/43/93/40/403439340.db2.gz ZSHOALQSHYDFQB-ZDUSSCGKSA-N 1 1 321.377 2.018 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000286101773 403449960 /nfs/dbraw/zinc/44/99/60/403449960.db2.gz CYVJVFZOKYQNLN-KOLCDFICSA-N 1 1 319.390 2.130 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000345904268 403527343 /nfs/dbraw/zinc/52/73/43/403527343.db2.gz KUMFCJWNBZXYNK-STQMWFEESA-N 1 1 305.378 2.458 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000345914549 403531887 /nfs/dbraw/zinc/53/18/87/403531887.db2.gz WTRUOTOZIQSRMC-NEPJUHHUSA-N 1 1 321.377 2.158 20 5 DEBDMO Cc1c(NC(=O)N2CC[NH2+]C[C@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000332341708 403555748 /nfs/dbraw/zinc/55/57/48/403555748.db2.gz SSXORLMEPIBGSX-AWEZNQCLSA-N 1 1 310.329 2.069 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1CO ZINC000299216515 403549040 /nfs/dbraw/zinc/54/90/40/403549040.db2.gz HTOPWLWPHCTUCM-AWEZNQCLSA-N 1 1 321.377 2.079 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345962939 403551155 /nfs/dbraw/zinc/55/11/55/403551155.db2.gz PWGDQVJJYRORSO-OLZOCXBDSA-N 1 1 305.378 2.078 20 5 DEBDMO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293864325 403585183 /nfs/dbraw/zinc/58/51/83/403585183.db2.gz UQVYBNZSNDFLPO-LLVKDONJSA-N 1 1 304.394 2.454 20 5 DEBDMO O=C([C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000287412470 403594433 /nfs/dbraw/zinc/59/44/33/403594433.db2.gz ONSDMJXKROAPJA-AWEZNQCLSA-N 1 1 303.362 2.039 20 5 DEBDMO CCOC(=O)c1ccnc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000343488473 403609780 /nfs/dbraw/zinc/60/97/80/403609780.db2.gz YJTOQOKZKRFZMB-CMPLNLGQSA-N 1 1 322.365 2.061 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000347262626 403640838 /nfs/dbraw/zinc/64/08/38/403640838.db2.gz NCZXNFMGCUQXSK-NOZJJQNGSA-N 1 1 310.329 2.338 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(N)=O)CC1 ZINC000347366103 403682028 /nfs/dbraw/zinc/68/20/28/403682028.db2.gz VJOLSMQWQKKTCV-RAXLEYEMSA-N 1 1 318.377 2.085 20 5 DEBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000341074641 403761409 /nfs/dbraw/zinc/76/14/09/403761409.db2.gz ZEPCXIPANJMDCE-MBNYWOFBSA-N 1 1 320.393 2.438 20 5 DEBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000347683766 403804119 /nfs/dbraw/zinc/80/41/19/403804119.db2.gz YSDWBFRLWZHQCO-ZDUSSCGKSA-N 1 1 323.368 2.472 20 5 DEBDMO CCc1nn(C)c(N[C@@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000368680614 403820835 /nfs/dbraw/zinc/82/08/35/403820835.db2.gz OECTVZRMVAUEBZ-LLVKDONJSA-N 1 1 307.398 2.320 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341205970 403832651 /nfs/dbraw/zinc/83/26/51/403832651.db2.gz RYTPKGNYOBWTGS-GHMZBOCLSA-N 1 1 322.365 2.208 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)CCCn1cc[nH+]c1C ZINC000288893929 403788350 /nfs/dbraw/zinc/78/83/50/403788350.db2.gz NHUWCSTXIOGHSS-UHFFFAOYSA-N 1 1 306.370 2.151 20 5 DEBDMO C[N@@H+](C[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000289284499 403894546 /nfs/dbraw/zinc/89/45/46/403894546.db2.gz AGXKSPJAFHPUGH-KRWDZBQOSA-N 1 1 319.405 2.014 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347988570 403995607 /nfs/dbraw/zinc/99/56/07/403995607.db2.gz AGBADTNNIXLZFM-SNVBAGLBSA-N 1 1 320.324 2.159 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](N2CCOCC2)[C@H]1C ZINC000352020187 404085926 /nfs/dbraw/zinc/08/59/26/404085926.db2.gz XPOVNKIYLGPBIF-FMKPAKJESA-N 1 1 319.405 2.451 20 5 DEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412114843 404142982 /nfs/dbraw/zinc/14/29/82/404142982.db2.gz JONSNUIXIYFULI-VBNZEHGJSA-N 1 1 317.389 2.251 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000290480946 404187357 /nfs/dbraw/zinc/18/73/57/404187357.db2.gz DSIQXCOPCCWGFE-LLVKDONJSA-N 1 1 308.382 2.027 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000412239025 404204599 /nfs/dbraw/zinc/20/45/99/404204599.db2.gz BDXKDAURTGSTFV-MSQAHXEGSA-N 1 1 317.389 2.297 20 5 DEBDMO C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296465283 404262025 /nfs/dbraw/zinc/26/20/25/404262025.db2.gz OFVOIIXPDGHYCB-SMDDNHRTSA-N 1 1 306.366 2.049 20 5 DEBDMO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352407177 404347884 /nfs/dbraw/zinc/34/78/84/404347884.db2.gz SANDJEHIHMQKIJ-CYBMUJFWSA-N 1 1 321.377 2.094 20 5 DEBDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352407177 404347890 /nfs/dbraw/zinc/34/78/90/404347890.db2.gz SANDJEHIHMQKIJ-CYBMUJFWSA-N 1 1 321.377 2.094 20 5 DEBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000370006391 404300621 /nfs/dbraw/zinc/30/06/21/404300621.db2.gz CMAHYZAQYRKHLO-ZDUSSCGKSA-N 1 1 300.362 2.393 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000364384178 404374601 /nfs/dbraw/zinc/37/46/01/404374601.db2.gz LQIFMUUPZFIYQW-LLVKDONJSA-N 1 1 319.361 2.047 20 5 DEBDMO Cc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000291474698 404393728 /nfs/dbraw/zinc/39/37/28/404393728.db2.gz FFFJQQRGEPTEEG-GDBMZVCRSA-N 1 1 319.405 2.198 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291741831 404502775 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/nfs/dbraw/zinc/40/44/57/527404457.db2.gz GXQDKEVTPDETSW-UHFFFAOYSA-N 1 1 302.334 2.310 20 5 DEBDMO CC(C)[C@H](CNc1sccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000301995444 529017664 /nfs/dbraw/zinc/01/76/64/529017664.db2.gz PHCBSSAKJSTKHS-ZDUSSCGKSA-N 1 1 312.439 2.340 20 5 DEBDMO CCOC(=O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492378330 535643463 /nfs/dbraw/zinc/64/34/63/535643463.db2.gz STULLHMZCSIWBW-UHFFFAOYSA-N 1 1 310.350 2.379 20 5 DEBDMO CCN1CCN(CC(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000449755774 535674835 /nfs/dbraw/zinc/67/48/35/535674835.db2.gz UVVLHCWFDHZWEX-UHFFFAOYSA-N 1 1 320.437 2.101 20 5 DEBDMO CC[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000362687883 535858554 /nfs/dbraw/zinc/85/85/54/535858554.db2.gz XLJRJFUKGWHRSH-CYBMUJFWSA-N 1 1 309.366 2.126 20 5 DEBDMO CC[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000362687883 535858557 /nfs/dbraw/zinc/85/85/57/535858557.db2.gz XLJRJFUKGWHRSH-CYBMUJFWSA-N 1 1 309.366 2.126 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000456357306 536134886 /nfs/dbraw/zinc/13/48/86/536134886.db2.gz SBZAPWNFUYRYBZ-AWEZNQCLSA-N 1 1 305.378 2.080 20 5 DEBDMO O=C1[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]2CCCCN12 ZINC000835073792 649875349 /nfs/dbraw/zinc/87/53/49/649875349.db2.gz PKPSHVLZAHKCTJ-FZMZJTMJSA-N 1 1 323.780 2.491 20 5 DEBDMO CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000053245446 625423774 /nfs/dbraw/zinc/42/37/74/625423774.db2.gz KVGZOIBSKQYTIE-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO Cn1ncc([N+](=O)[O-])c1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000892704826 625434429 /nfs/dbraw/zinc/43/44/29/625434429.db2.gz TXUOSEKPUNPJFD-AWEZNQCLSA-N 1 1 315.377 2.039 20 5 DEBDMO CC[N@@H+](CCC(N)=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000932480738 623137820 /nfs/dbraw/zinc/13/78/20/623137820.db2.gz YTBLYMCJJNVIJS-UHFFFAOYSA-N 1 1 319.283 2.311 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@H]1C ZINC000892085240 624775556 /nfs/dbraw/zinc/77/55/56/624775556.db2.gz KYKKRTGJHXZCQQ-VXGBXAGGSA-N 1 1 323.393 2.224 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000892145830 624795851 /nfs/dbraw/zinc/79/58/51/624795851.db2.gz SZDXZHZCEVZORA-WCQYABFASA-N 1 1 322.361 2.167 20 5 DEBDMO C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000892239032 624862524 /nfs/dbraw/zinc/86/25/24/624862524.db2.gz GMIWPXNFSMTGPB-OLZOCXBDSA-N 1 1 320.393 2.092 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000892300353 625033694 /nfs/dbraw/zinc/03/36/94/625033694.db2.gz LYYBOUPJIINOTM-SNVBAGLBSA-N 1 1 303.322 2.106 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000892555427 625145637 /nfs/dbraw/zinc/14/56/37/625145637.db2.gz TVTSBEBKYQSOAF-NSHDSACASA-N 1 1 308.338 2.281 20 5 DEBDMO COc1c(O)ccc(C[NH2+]Cc2ccc(C)nc2)c1[N+](=O)[O-] ZINC000892604796 625186825 /nfs/dbraw/zinc/18/68/25/625186825.db2.gz IODMSEACTGCNHR-UHFFFAOYSA-N 1 1 303.318 2.302 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)OCCC[N@H+]1CCO[C@@H](C)C1 ZINC000893389503 633228818 /nfs/dbraw/zinc/22/88/18/633228818.db2.gz MDWFUNAGXCHAID-ZDUSSCGKSA-N 1 1 322.361 2.171 20 5 DEBDMO Cc1c(C(=O)OCCC[N@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000893392196 633242953 /nfs/dbraw/zinc/24/29/53/633242953.db2.gz CQOFAJSTIKPISR-LBPRGKRZSA-N 1 1 322.361 2.171 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)CCc2ccncc2)c1[N+](=O)[O-] ZINC000893540183 634305078 /nfs/dbraw/zinc/30/50/78/634305078.db2.gz GLQSDZNRNUAKHE-UHFFFAOYSA-N 1 1 317.345 2.379 20 5 DEBDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000837187300 650172646 /nfs/dbraw/zinc/17/26/46/650172646.db2.gz YTJAVHOHLQZHIP-LBPRGKRZSA-N 1 1 320.393 2.040 20 5 DEBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000921807725 635350562 /nfs/dbraw/zinc/35/05/62/635350562.db2.gz SJWPECPPZDWMME-LOWVWBTDSA-N 1 1 306.366 2.048 20 5 DEBDMO C/C(=C\C(=O)NC1C[NH+](C(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000837544266 650215943 /nfs/dbraw/zinc/21/59/43/650215943.db2.gz IBYFYQALNUXJFM-XYOKQWHBSA-N 1 1 303.362 2.207 20 5 DEBDMO CC(=O)N1C[C@]2(C)C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000982177106 635896474 /nfs/dbraw/zinc/89/64/74/635896474.db2.gz DPHKJODDHZHKSB-CALCHBBNSA-N 1 1 317.389 2.285 20 5 DEBDMO C[C@H](NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000894016069 636093009 /nfs/dbraw/zinc/09/30/09/636093009.db2.gz JCIRAERFQINHMT-YWPYICTPSA-N 1 1 318.377 2.001 20 5 DEBDMO C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000894016178 636093013 /nfs/dbraw/zinc/09/30/13/636093013.db2.gz NHINKPPMXNREJU-CHWSQXEVSA-N 1 1 320.393 2.297 20 5 DEBDMO CCN1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000922639089 636290372 /nfs/dbraw/zinc/29/03/72/636290372.db2.gz HCFZBFDJNXZPBX-ZDUSSCGKSA-N 1 1 311.769 2.349 20 5 DEBDMO C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000894200510 636406630 /nfs/dbraw/zinc/40/66/30/636406630.db2.gz BEHNXSZXPUSNGD-CYBMUJFWSA-N 1 1 315.377 2.039 20 5 DEBDMO C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000894200510 636406633 /nfs/dbraw/zinc/40/66/33/636406633.db2.gz BEHNXSZXPUSNGD-CYBMUJFWSA-N 1 1 315.377 2.039 20 5 DEBDMO COc1c(O)ccc(CNCC[N@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000894792540 637216263 /nfs/dbraw/zinc/21/62/63/637216263.db2.gz CQKSMHCFSLYHDU-UHFFFAOYSA-N 1 1 323.393 2.273 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000839392609 637865792 /nfs/dbraw/zinc/86/57/92/637865792.db2.gz MALYWTIMTPYODN-NSHDSACASA-N 1 1 309.341 2.209 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000839392609 637865799 /nfs/dbraw/zinc/86/57/99/637865799.db2.gz MALYWTIMTPYODN-NSHDSACASA-N 1 1 309.341 2.209 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000895402976 638013432 /nfs/dbraw/zinc/01/34/32/638013432.db2.gz IRSKRFVNMCOKNB-MNOVXSKESA-N 1 1 310.350 2.308 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000895402976 638013439 /nfs/dbraw/zinc/01/34/39/638013439.db2.gz IRSKRFVNMCOKNB-MNOVXSKESA-N 1 1 310.350 2.308 20 5 DEBDMO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)F ZINC000895724658 638167826 /nfs/dbraw/zinc/16/78/26/638167826.db2.gz ILGOIMAZNUSPDS-VIFPVBQESA-N 1 1 300.309 2.202 20 5 DEBDMO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895739004 638171031 /nfs/dbraw/zinc/17/10/31/638171031.db2.gz VDTOYBAKJRHGRG-WCQYABFASA-N 1 1 320.393 2.238 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000896460613 638534273 /nfs/dbraw/zinc/53/42/73/638534273.db2.gz LZVCUJYWBHCXDN-CHWSQXEVSA-N 1 1 320.393 2.092 20 5 DEBDMO COC(=O)C[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750050404 638707194 /nfs/dbraw/zinc/70/71/94/638707194.db2.gz AEUHSVXSOBVYBL-ZFWWWQNUSA-N 1 1 322.361 2.046 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000754043987 639377499 /nfs/dbraw/zinc/37/74/99/639377499.db2.gz WYQMEIOALZLGNN-NSHDSACASA-N 1 1 301.350 2.434 20 5 DEBDMO C[C@H](C(=O)NCC[N@H+]1CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000754420127 639427577 /nfs/dbraw/zinc/42/75/77/639427577.db2.gz WNFONKNEBVYSOO-RYUDHWBXSA-N 1 1 323.368 2.438 20 5 DEBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000755255364 639534759 /nfs/dbraw/zinc/53/47/59/639534759.db2.gz BGSNNRFHDRFLQC-HCYCVZQXSA-N 1 1 303.362 2.209 20 5 DEBDMO CC(C)[C@@H]1CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000755926830 639605551 /nfs/dbraw/zinc/60/55/51/639605551.db2.gz ZHFQBIDJZMXGOG-LLVKDONJSA-N 1 1 317.345 2.126 20 5 DEBDMO CC(C)[C@@H]1CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000755926830 639605554 /nfs/dbraw/zinc/60/55/54/639605554.db2.gz ZHFQBIDJZMXGOG-LLVKDONJSA-N 1 1 317.345 2.126 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000758413319 639957393 /nfs/dbraw/zinc/95/73/93/639957393.db2.gz FEFIWOLTNQNBPK-OLZOCXBDSA-N 1 1 321.352 2.399 20 5 DEBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000767617990 641001709 /nfs/dbraw/zinc/00/17/09/641001709.db2.gz PCCUEZXUYBCWKE-UHFFFAOYSA-N 1 1 307.281 2.486 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000768841267 641132147 /nfs/dbraw/zinc/13/21/47/641132147.db2.gz JMQUTOWVSUONOP-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000768841267 641132153 /nfs/dbraw/zinc/13/21/53/641132153.db2.gz JMQUTOWVSUONOP-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000769144838 641183847 /nfs/dbraw/zinc/18/38/47/641183847.db2.gz JPIPAUZJZIUVPA-MNOVXSKESA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000769144838 641183851 /nfs/dbraw/zinc/18/38/51/641183851.db2.gz JPIPAUZJZIUVPA-MNOVXSKESA-N 1 1 309.341 2.207 20 5 DEBDMO C[C@H]1[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000842369890 650720106 /nfs/dbraw/zinc/72/01/06/650720106.db2.gz PMAVXKURDNIQKA-XZDPQHSOSA-N 1 1 318.373 2.248 20 5 DEBDMO C[C@H]1[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000842369890 650720108 /nfs/dbraw/zinc/72/01/08/650720108.db2.gz PMAVXKURDNIQKA-XZDPQHSOSA-N 1 1 318.373 2.248 20 5 DEBDMO C[C@H]1[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000842369890 650720112 /nfs/dbraw/zinc/72/01/12/650720112.db2.gz PMAVXKURDNIQKA-XZDPQHSOSA-N 1 1 318.373 2.248 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000776594183 642190845 /nfs/dbraw/zinc/19/08/45/642190845.db2.gz XYFPRVGWNQHRLN-WBVHZDCISA-N 1 1 320.389 2.377 20 5 DEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000900751527 642454072 /nfs/dbraw/zinc/45/40/72/642454072.db2.gz QLDHXRQZLVBYRA-ABAIWWIYSA-N 1 1 323.780 2.272 20 5 DEBDMO 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307.394 2.044 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000832290637 649692819 /nfs/dbraw/zinc/69/28/19/649692819.db2.gz ASKXHTMVXYIGBF-PRHODGIISA-N 1 1 322.258 2.479 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000832290637 649692821 /nfs/dbraw/zinc/69/28/21/649692821.db2.gz ASKXHTMVXYIGBF-PRHODGIISA-N 1 1 322.258 2.479 20 5 DEBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000844653556 651151187 /nfs/dbraw/zinc/15/11/87/651151187.db2.gz KOJWZYKJGNYKGL-UHFFFAOYSA-N 1 1 311.357 2.442 20 5 DEBDMO COc1cccc(C(=O)OCC[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000847821287 651420662 /nfs/dbraw/zinc/42/06/62/651420662.db2.gz CTZJDDVSMPQFOQ-LLVKDONJSA-N 1 1 308.334 2.102 20 5 DEBDMO CC[N@@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 ZINC000848474324 651461347 /nfs/dbraw/zinc/46/13/47/651461347.db2.gz AAZUOGSMUSUQND-OAHLLOKOSA-N 1 1 303.362 2.353 20 5 DEBDMO COc1ccc(OCCO[NH+]=C(N)[C@@H]2C[C@@H]2C)c([N+](=O)[O-])c1 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302.334 2.446 20 5 DEBDMO O=C1[C@@H]([N@@H+]2CCC[C@@H](CF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880233927 690846482 /nfs/dbraw/zinc/84/64/82/690846482.db2.gz BDHMDYNGCGNKMX-WFASDCNBSA-N 1 1 321.352 2.382 20 5 DEBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](CF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880233927 690846484 /nfs/dbraw/zinc/84/64/84/690846484.db2.gz BDHMDYNGCGNKMX-WFASDCNBSA-N 1 1 321.352 2.382 20 5 DEBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C1 ZINC000880312055 690867419 /nfs/dbraw/zinc/86/74/19/690867419.db2.gz RUTOTILEYBPASS-BETUJISGSA-N 1 1 323.780 2.158 20 5 DEBDMO C[C@H]1c2sccc2CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000880377491 690885636 /nfs/dbraw/zinc/88/56/36/690885636.db2.gz XKOCGQYMWYRXCP-NSHDSACASA-N 1 1 319.386 2.437 20 5 DEBDMO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000880425261 690895093 /nfs/dbraw/zinc/89/50/93/690895093.db2.gz DVQHOJZAOGZFAT-KBPBESRZSA-N 1 1 314.769 2.484 20 5 DEBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000880425261 690895094 /nfs/dbraw/zinc/89/50/94/690895094.db2.gz DVQHOJZAOGZFAT-KBPBESRZSA-N 1 1 314.769 2.484 20 5 DEBDMO Cc1c(C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)cccc1[N+](=O)[O-] ZINC000880530416 690919471 /nfs/dbraw/zinc/91/94/71/690919471.db2.gz PTYSSDADRAQLDU-IUODEOHRSA-N 1 1 303.362 2.004 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)cccc1[N+](=O)[O-] ZINC000880530416 690919475 /nfs/dbraw/zinc/91/94/75/690919475.db2.gz PTYSSDADRAQLDU-IUODEOHRSA-N 1 1 303.362 2.004 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000882960119 691397793 /nfs/dbraw/zinc/39/77/93/691397793.db2.gz APGSCXXTZYBRIA-LBPRGKRZSA-N 1 1 320.349 2.058 20 5 DEBDMO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cccnc1[N+](=O)[O-] ZINC000886014711 691984351 /nfs/dbraw/zinc/98/43/51/691984351.db2.gz NYZMQTDDMRUZJL-UHFFFAOYSA-N 1 1 324.381 2.336 20 5 DEBDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cccnc1[N+](=O)[O-] ZINC000886014711 691984353 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ZINC001223689042 802808644 /nfs/dbraw/zinc/80/86/44/802808644.db2.gz SPJNMLWKVNAUEB-HNNXBMFYSA-N 1 1 322.361 2.382 20 5 DEBDMO C[N@H+]1CCC[C@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224987855 802923912 /nfs/dbraw/zinc/92/39/12/802923912.db2.gz WFPSFPQAXHYJET-HNNXBMFYSA-N 1 1 322.361 2.139 20 5 DEBDMO C[N@@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2Br)C1 ZINC001225759246 803010327 /nfs/dbraw/zinc/01/03/27/803010327.db2.gz NMGALSCTHPGAQQ-QMMMGPOBSA-N 1 1 301.140 2.440 20 5 DEBDMO C[N@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2Br)C1 ZINC001225759246 803010336 /nfs/dbraw/zinc/01/03/36/803010336.db2.gz NMGALSCTHPGAQQ-QMMMGPOBSA-N 1 1 301.140 2.440 20 5 DEBDMO CC[N@H+]1CC[C@@H](Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225844083 803019111 /nfs/dbraw/zinc/01/91/11/803019111.db2.gz WJDMJLIZBUZHRT-SECBINFHSA-N 1 1 305.256 2.482 20 5 DEBDMO C[N@H+]1CCC[C@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)CC1 ZINC001228242384 803335100 /nfs/dbraw/zinc/33/51/00/803335100.db2.gz NHVWEGCLJJEGEV-NSHDSACASA-N 1 1 318.333 2.107 20 5 DEBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(Cl)c3)[C@H]1CC(=O)C2 ZINC001228757595 803407165 /nfs/dbraw/zinc/40/71/65/803407165.db2.gz VXHUGCIOZCXXDJ-PCTYZZJISA-N 1 1 310.737 2.431 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(Cl)c3)[C@H]1CC(=O)C2 ZINC001228757595 803407167 /nfs/dbraw/zinc/40/71/67/803407167.db2.gz VXHUGCIOZCXXDJ-PCTYZZJISA-N 1 1 310.737 2.431 20 5 DEBDMO C[N@H+]1CCC[C@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228802053 803415950 /nfs/dbraw/zinc/41/59/50/803415950.db2.gz DIEICKXKFKVEJT-JTQLQIEISA-N 1 1 304.302 2.174 20 5 DEBDMO C[N@H+](CCCF)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC001331062152 1149371462 /nfs/dbraw/zinc/37/14/62/1149371462.db2.gz PUQSNKUIRGJLLC-CQSZACIVSA-N 1 1 309.341 2.160 20 5 DEBDMO C[N@@H+](CCCF)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC001331062152 1149371471 /nfs/dbraw/zinc/37/14/71/1149371471.db2.gz PUQSNKUIRGJLLC-CQSZACIVSA-N 1 1 309.341 2.160 20 5 DEBDMO O=[N+]([O-])CC[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001335942440 1150566017 /nfs/dbraw/zinc/56/60/17/1150566017.db2.gz NHQBJALHJKWXFW-UHFFFAOYSA-N 1 1 318.295 2.266 20 5 DEBDMO Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001346658322 1151012236 /nfs/dbraw/zinc/01/22/36/1151012236.db2.gz WBBNOOFUYMXHQZ-GFCCVEGCSA-N 1 1 306.366 2.367 20 5 DEBDMO Cc1nc(N2CC[N@H+](C)C3(CCCCC3)C2)ncc1[N+](=O)[O-] ZINC001328568913 1148811367 /nfs/dbraw/zinc/81/13/67/1148811367.db2.gz YFMPLRYMBKVLIF-UHFFFAOYSA-N 1 1 305.382 2.148 20 5 DEBDMO Cc1c[nH+]cn1CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001525836157 1070179892 /nfs/dbraw/zinc/17/98/92/1070179892.db2.gz LHLYKGKVACNKJX-UHFFFAOYSA-N 1 1 308.725 2.070 20 5 DEBDMO O=C(NC[C@@]12CC[N@@H+](C1)CCC2)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001528582281 1070699740 /nfs/dbraw/zinc/69/97/40/1070699740.db2.gz XHRXRLYXDKCWRR-OAHLLOKOSA-N 1 1 323.780 2.464 20 5 DEBDMO CCOc1ccc(C(=O)NCc2[nH]c(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC001456035646 1057808827 /nfs/dbraw/zinc/80/88/27/1057808827.db2.gz KPVFMUTVIBEJKE-UHFFFAOYSA-N 1 1 318.333 2.263 20 5 DEBDMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001473322339 1060669243 /nfs/dbraw/zinc/66/92/43/1060669243.db2.gz YAAULHHWISMQJN-SECBINFHSA-N 1 1 305.294 2.087 20 5 DEBDMO O=C(NC1(C[NH2+]CCC2CCCC2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001567998419 1064584878 /nfs/dbraw/zinc/58/48/78/1064584878.db2.gz LDUWDNFJPJPGNA-HUUCEWRRSA-N 1 1 323.437 2.251 20 5 DEBDMO CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001568103073 1064648188 /nfs/dbraw/zinc/64/81/88/1064648188.db2.gz FECHUKMETVKOOR-KBUPBQIOSA-N 1 1 311.426 2.105 20 5 DEBDMO Cc1[nH]c(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c(C)[nH+]1 ZINC001643206502 1078790116 /nfs/dbraw/zinc/79/01/16/1078790116.db2.gz KYOQTLUFZCZTIR-UHFFFAOYSA-N 1 1 318.259 2.299 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001556084389 1075018441 /nfs/dbraw/zinc/01/84/41/1075018441.db2.gz MZMNFYDCYJGJEE-CYBMUJFWSA-N 1 1 317.349 2.282 20 5 DEBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001591735511 1076781391 /nfs/dbraw/zinc/78/13/91/1076781391.db2.gz RRTCJLCKKPBPTJ-GHMZBOCLSA-N 1 1 316.365 2.395 20 5 DEBDMO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])CC1CC1 ZINC001609099212 1077761139 /nfs/dbraw/zinc/76/11/39/1077761139.db2.gz NPAULUWLSZRWSA-UHFFFAOYSA-N 1 1 316.365 2.395 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001652340327 1079871695 /nfs/dbraw/zinc/87/16/95/1079871695.db2.gz XOIXVIJDCFUSBA-CYBMUJFWSA-N 1 1 304.394 2.399 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC001654027820 1079948280 /nfs/dbraw/zinc/94/82/80/1079948280.db2.gz WAPWEYGLTGSPRN-AJHXJQRKSA-N 1 1 303.362 2.161 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@]23CCOC3)c1 ZINC001660668256 1080377025 /nfs/dbraw/zinc/37/70/25/1080377025.db2.gz XTBDVKKTPCBZCF-HZPDHXFCSA-N 1 1 306.362 2.273 20 5 DEBDMO Cc1nc(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001664230459 1080879808 /nfs/dbraw/zinc/87/98/08/1080879808.db2.gz VKCXQOFKIDHYRM-NSHDSACASA-N 1 1 303.366 2.175 20 5 DEBDMO Cc1nnc(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC001664230459 1080879818 /nfs/dbraw/zinc/87/98/18/1080879818.db2.gz VKCXQOFKIDHYRM-NSHDSACASA-N 1 1 303.366 2.175 20 5 DEBDMO CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CC=C(C)C)CC1 ZINC001266386582 1082012762 /nfs/dbraw/zinc/01/27/62/1082012762.db2.gz KUPKBDYLGSVXFN-HZPDHXFCSA-N 1 1 323.437 2.321 20 5 DEBDMO CN(CC[N@@H+](C)CC1CCCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272014235 1082267028 /nfs/dbraw/zinc/26/70/28/1082267028.db2.gz YUHYRMMNQXRRNS-HUUCEWRRSA-N 1 1 311.426 2.012 20 5 DEBDMO CN(CC[N@H+](C)CC1CCCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001272014235 1082267033 /nfs/dbraw/zinc/26/70/33/1082267033.db2.gz YUHYRMMNQXRRNS-HUUCEWRRSA-N 1 1 311.426 2.012 20 5 DEBDMO CN(CC[N@@H+](C)CC1CCCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001272014235 1082267039 /nfs/dbraw/zinc/26/70/39/1082267039.db2.gz YUHYRMMNQXRRNS-HUUCEWRRSA-N 1 1 311.426 2.012 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000823383988 1090676057 /nfs/dbraw/zinc/67/60/57/1090676057.db2.gz ACLVOIUIFAQYKO-ZYHUDNBSSA-N 1 1 307.350 2.272 20 5 DEBDMO O=C(NCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC001490362468 1093355597 /nfs/dbraw/zinc/35/55/97/1093355597.db2.gz VMTQVZYGGVPSOK-UHFFFAOYSA-N 1 1 317.389 2.476 20 5 DEBDMO Cn1cc(C[NH+]2CCC(Nc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC001352879926 1151788297 /nfs/dbraw/zinc/78/82/97/1151788297.db2.gz WFWOJYOPSLNVRW-UHFFFAOYSA-N 1 1 315.377 2.405 20 5 DEBDMO C[C@@H](C(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001321134657 1141063250 /nfs/dbraw/zinc/06/32/50/1141063250.db2.gz FKBQRVAAEMXGIQ-CJNGLKHVSA-N 1 1 317.389 2.395 20 5 DEBDMO CN1CC[NH+](C(C)(C)CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001248542272 1141803526 /nfs/dbraw/zinc/80/35/26/1141803526.db2.gz MRJKFCCFWWQJLN-UHFFFAOYSA-N 1 1 310.373 2.172 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001248962850 1141839143 /nfs/dbraw/zinc/83/91/43/1141839143.db2.gz NBPNVHXWAXXFJE-SECBINFHSA-N 1 1 321.312 2.377 20 5 DEBDMO C[C@H](C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001337718256 1142793588 /nfs/dbraw/zinc/79/35/88/1142793588.db2.gz PDTAYHHDFDDAER-DDUYRFODSA-N 1 1 317.389 2.155 20 5 DEBDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001338984203 1142897861 /nfs/dbraw/zinc/89/78/61/1142897861.db2.gz UYCJEWJCTQJREV-INIZCTEOSA-N 1 1 319.405 2.374 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001339263810 1143002014 /nfs/dbraw/zinc/00/20/14/1143002014.db2.gz HMWKXAQWZIJXAZ-LBPRGKRZSA-N 1 1 321.377 2.208 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC001254474070 1143130568 /nfs/dbraw/zinc/13/05/68/1143130568.db2.gz KUROAJRNKDSYOB-CALCHBBNSA-N 1 1 317.389 2.427 20 5 DEBDMO CC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254566399 1143250958 /nfs/dbraw/zinc/25/09/58/1143250958.db2.gz TZCUBWYLLPVGOE-XJKSGUPXSA-N 1 1 319.405 2.469 20 5 DEBDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC12CC2 ZINC001254571363 1143256415 /nfs/dbraw/zinc/25/64/15/1143256415.db2.gz SYSIHYPRNBETMR-OCCSQVGLSA-N 1 1 318.373 2.411 20 5 DEBDMO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254594377 1143272847 /nfs/dbraw/zinc/27/28/47/1143272847.db2.gz QISCMOSUKPKMLK-UNEWFSDZSA-N 1 1 316.357 2.090 20 5 DEBDMO O=C1CCC[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]12 ZINC001254611195 1143281636 /nfs/dbraw/zinc/28/16/36/1143281636.db2.gz WTRZRHZGZCXZQN-DAXOMENPSA-N 1 1 300.358 2.363 20 5 DEBDMO C[S@](=O)[C@@H]1CC[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC001262709923 1144329509 /nfs/dbraw/zinc/32/95/09/1144329509.db2.gz ZKXNMNJFWWJDJN-TUMIKQJQSA-N 1 1 319.386 2.276 20 5 DEBDMO Cc1cc(NC(=O)N2CC[N@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC001263655918 1144387143 /nfs/dbraw/zinc/38/71/43/1144387143.db2.gz WIUHQPITRCXSPO-UHFFFAOYSA-N 1 1 306.366 2.461 20 5 DEBDMO C[N@@H+](CCCNC(=O)c1cc[nH]c1)Cc1cccc([N+](=O)[O-])c1 ZINC001265854191 1144747858 /nfs/dbraw/zinc/74/78/58/1144747858.db2.gz OGTZTHFDPZOSIU-UHFFFAOYSA-N 1 1 316.361 2.175 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001302569387 1147312643 /nfs/dbraw/zinc/31/26/43/1147312643.db2.gz IJIHZVYVMNEEPG-BXUZGUMPSA-N 1 1 321.352 2.209 20 5 DEBDMO C[C@H](C(=O)N[C@H]1C[N@@H+](C)CC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC001303988582 1147341158 /nfs/dbraw/zinc/34/11/58/1147341158.db2.gz IUIVONNRIWJWLH-HZMBPMFUSA-N 1 1 323.368 2.294 20 5 DEBDMO C[N@H+]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1(C)C ZINC001307155255 1147400316 /nfs/dbraw/zinc/40/03/16/1147400316.db2.gz OGWKLWKPNLJHRN-UHFFFAOYSA-N 1 1 304.394 2.399 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@@H](c3nnc(N)o3)C2)cccc1[N+](=O)[O-] ZINC001307969954 1147440111 /nfs/dbraw/zinc/44/01/11/1147440111.db2.gz QTBPGOQAFJISCB-GFCCVEGCSA-N 1 1 317.349 2.248 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1ccc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001317473365 1147444898 /nfs/dbraw/zinc/44/48/98/1147444898.db2.gz PNJWGKLTITYGEC-UHFFFAOYSA-N 1 1 316.361 2.175 20 5 DEBDMO CCCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001324864887 1147854475 /nfs/dbraw/zinc/85/44/75/1147854475.db2.gz WQNUPWCBQSMCCL-ZIAGYGMSSA-N 1 1 311.426 2.060 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001326089803 1148039577 /nfs/dbraw/zinc/03/95/77/1148039577.db2.gz GWSXFRNTXVWRKW-OKILXGFUSA-N 1 1 322.409 2.021 20 5 DEBDMO C[C@@H](NCc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000612489226 361841554 /nfs/dbraw/zinc/84/15/54/361841554.db2.gz ZCRUBRLSMDHOCN-OLZOCXBDSA-N 1 1 321.425 2.071 20 5 DEBDMO COc1cc(C[N@@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])cc1F ZINC000613378757 362097366 /nfs/dbraw/zinc/09/73/66/362097366.db2.gz HIPCCMCIPDTEPP-LLVKDONJSA-N 1 1 312.341 2.337 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])cc1F ZINC000613378757 362097375 /nfs/dbraw/zinc/09/73/75/362097375.db2.gz HIPCCMCIPDTEPP-LLVKDONJSA-N 1 1 312.341 2.337 20 5 DEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](CO)C2)c1 ZINC000092764944 185339076 /nfs/dbraw/zinc/33/90/76/185339076.db2.gz ISEQGSCIYYGSIM-SECBINFHSA-N 1 1 302.277 2.010 20 5 DEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](CO)C2)c1 ZINC000092764944 185339077 /nfs/dbraw/zinc/33/90/77/185339077.db2.gz ISEQGSCIYYGSIM-SECBINFHSA-N 1 1 302.277 2.010 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292930533 530065424 /nfs/dbraw/zinc/06/54/24/530065424.db2.gz IXDNUOFWNQREFL-SJORKVTESA-N 1 1 319.405 2.046 20 5 DEBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279715514 215085274 /nfs/dbraw/zinc/08/52/74/215085274.db2.gz IKABFJWPMUDEKZ-BJJXKVORSA-N 1 1 308.378 2.254 20 5 DEBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000272497435 209905530 /nfs/dbraw/zinc/90/55/30/209905530.db2.gz GEAAJPLPNVCOGQ-IUODEOHRSA-N 1 1 316.361 2.044 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000150727374 186060904 /nfs/dbraw/zinc/06/09/04/186060904.db2.gz YDFRIVGUERNCES-GFCCVEGCSA-N 1 1 309.341 2.290 20 5 DEBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595496807 358465207 /nfs/dbraw/zinc/46/52/07/358465207.db2.gz ISVJYKNQMQFWLV-CYBMUJFWSA-N 1 1 323.368 2.472 20 5 DEBDMO COCC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172174417 198052300 /nfs/dbraw/zinc/05/23/00/198052300.db2.gz NWOSKVNMSDRDTE-UHFFFAOYSA-N 1 1 313.785 2.012 20 5 DEBDMO CCN1CC[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000595524717 358474134 /nfs/dbraw/zinc/47/41/34/358474134.db2.gz OCHNUGVHZZSDBP-HOCLYGCPSA-N 1 1 317.389 2.395 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000174141103 198296682 /nfs/dbraw/zinc/29/66/82/198296682.db2.gz RGZDWCHIWVDMIP-ZDUSSCGKSA-N 1 1 321.377 2.282 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000174521347 198345565 /nfs/dbraw/zinc/34/55/65/198345565.db2.gz FXAVQQFUOMECAF-CYBMUJFWSA-N 1 1 305.378 2.317 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000595540869 358478194 /nfs/dbraw/zinc/47/81/94/358478194.db2.gz RXZIJXTXADLSQC-UHFFFAOYSA-N 1 1 306.362 2.483 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000008337264 354012068 /nfs/dbraw/zinc/01/20/68/354012068.db2.gz UDVOELJYAUPRAJ-CYBMUJFWSA-N 1 1 301.350 2.015 20 5 DEBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000022812826 354056665 /nfs/dbraw/zinc/05/66/65/354056665.db2.gz HHBKPMPXPKGASW-UHFFFAOYSA-N 1 1 304.375 2.374 20 5 DEBDMO CC(C)[N@@H+](C)CCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000041928911 354182065 /nfs/dbraw/zinc/18/20/65/354182065.db2.gz OLYXOUGXAAOGFZ-UHFFFAOYSA-N 1 1 322.409 2.243 20 5 DEBDMO C[NH+](C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000044852750 354243618 /nfs/dbraw/zinc/24/36/18/354243618.db2.gz ZIKFIRQHGJKBEZ-SNVBAGLBSA-N 1 1 309.347 2.282 20 5 DEBDMO 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/nfs/dbraw/zinc/39/21/69/357392169.db2.gz ANGMSXINHBPNBZ-FUNVUKJBSA-N 1 1 307.398 2.181 20 5 DEBDMO CCCC[N@@H+](CCCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589198179 357454690 /nfs/dbraw/zinc/45/46/90/357454690.db2.gz PAUHJBZTEDHUKC-UHFFFAOYSA-N 1 1 324.377 2.351 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000589209782 357455238 /nfs/dbraw/zinc/45/52/38/357455238.db2.gz SWASMQBQRNQDIM-WEKMIXOTSA-N 1 1 303.362 2.195 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000590776643 357609642 /nfs/dbraw/zinc/60/96/42/357609642.db2.gz KJTAUFQPDFSLJA-IINYFYTJSA-N 1 1 321.402 2.093 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000591071373 357669625 /nfs/dbraw/zinc/66/96/25/357669625.db2.gz MTBQSIXOSLSOGQ-UHOFOFEASA-N 1 1 317.389 2.251 20 5 DEBDMO Cc1nccn1CCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179499762 199046689 /nfs/dbraw/zinc/04/66/89/199046689.db2.gz PDUVAELMCDYUHI-INIZCTEOSA-N 1 1 318.377 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358414780 /nfs/dbraw/zinc/41/47/80/358414780.db2.gz YXZZCSFNNNADHJ-CYBMUJFWSA-N 1 1 305.378 2.284 20 5 DEBDMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595298759 358416627 /nfs/dbraw/zinc/41/66/27/358416627.db2.gz SKKUFVSQCUPCTB-GFCCVEGCSA-N 1 1 324.381 2.020 20 5 DEBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595298759 358416630 /nfs/dbraw/zinc/41/66/30/358416630.db2.gz SKKUFVSQCUPCTB-GFCCVEGCSA-N 1 1 324.381 2.020 20 5 DEBDMO O=C1CCCN1C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595299919 358416977 /nfs/dbraw/zinc/41/69/77/358416977.db2.gz GRLCKJILISCELJ-UHFFFAOYSA-N 1 1 321.352 2.321 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H]4C[C@H]4C3)o2)cc1 ZINC000595805726 358552549 /nfs/dbraw/zinc/55/25/49/358552549.db2.gz BLCBADFCILPANS-RYUDHWBXSA-N 1 1 300.318 2.487 20 5 DEBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CC1(C)C ZINC000595912933 358578698 /nfs/dbraw/zinc/57/86/98/358578698.db2.gz PSACLLRXBKFKIT-JSGCOSHPSA-N 1 1 308.378 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ZINC000597714809 358986126 /nfs/dbraw/zinc/98/61/26/358986126.db2.gz JTNGYXBYURVPKG-AWEZNQCLSA-N 1 1 309.391 2.214 20 5 DEBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000598561335 359241726 /nfs/dbraw/zinc/24/17/26/359241726.db2.gz PTWFFRNMVSMGNT-LBPRGKRZSA-N 1 1 307.350 2.040 20 5 DEBDMO Cc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccn1 ZINC000598597247 359255114 /nfs/dbraw/zinc/25/51/14/359255114.db2.gz YOADSAVAHUCCHW-AWEZNQCLSA-N 1 1 313.361 2.380 20 5 DEBDMO CCC(O)(CC)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599673621 359566859 /nfs/dbraw/zinc/56/68/59/359566859.db2.gz RSIYBJQHGFXUIL-GFCCVEGCSA-N 1 1 323.393 2.405 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000600314197 359719386 /nfs/dbraw/zinc/71/93/86/359719386.db2.gz NGTMELUMOVFQDN-CYBMUJFWSA-N 1 1 305.378 2.365 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600314176 359720281 /nfs/dbraw/zinc/72/02/81/359720281.db2.gz MHVVTNCQOPUFNH-ZDUSSCGKSA-N 1 1 305.378 2.365 20 5 DEBDMO CC[N@H+](CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000188063036 200187646 /nfs/dbraw/zinc/18/76/46/200187646.db2.gz VPARDMFNPPIJNK-UHFFFAOYSA-N 1 1 303.318 2.162 20 5 DEBDMO CC[N@@H+](CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000188063036 200187647 /nfs/dbraw/zinc/18/76/47/200187647.db2.gz VPARDMFNPPIJNK-UHFFFAOYSA-N 1 1 303.318 2.162 20 5 DEBDMO Cc1ccoc1C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292380417 223036713 /nfs/dbraw/zinc/03/67/13/223036713.db2.gz RORXIKOSHBKWDZ-CYBMUJFWSA-N 1 1 320.345 2.368 20 5 DEBDMO CCOC(=O)[C@H](C)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601125654 359931276 /nfs/dbraw/zinc/93/12/76/359931276.db2.gz ILXPUGILXJIEQM-SNVBAGLBSA-N 1 1 303.318 2.176 20 5 DEBDMO C[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[S@]1=O ZINC000601156516 359946441 /nfs/dbraw/zinc/94/64/41/359946441.db2.gz XVOUUGAFOHSDJN-RKFFSXRUSA-N 1 1 319.386 2.490 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cn3)C2)cc1 ZINC000601249654 359981068 /nfs/dbraw/zinc/98/10/68/359981068.db2.gz DMFOROSCVGVAHI-AWEZNQCLSA-N 1 1 313.361 2.380 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000601602034 360084139 /nfs/dbraw/zinc/08/41/39/360084139.db2.gz FZABPIJDIIQCIM-INIZCTEOSA-N 1 1 321.352 2.292 20 5 DEBDMO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602585197 360445217 /nfs/dbraw/zinc/44/52/17/360445217.db2.gz CZUHIVQFFYJFGP-QMMMGPOBSA-N 1 1 319.283 2.228 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602521299 360416568 /nfs/dbraw/zinc/41/65/68/360416568.db2.gz PBNUUHZZBWIRQZ-NSHDSACASA-N 1 1 304.350 2.167 20 5 DEBDMO CC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC ZINC000602685660 360497094 /nfs/dbraw/zinc/49/70/94/360497094.db2.gz JTBKGIOSXSRRAC-SNVBAGLBSA-N 1 1 319.283 2.228 20 5 DEBDMO CCC[C@]1(COC)CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602817970 360570955 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307.394 2.044 20 5 DEBDMO COc1ccc(NC(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000360396151 133179703 /nfs/dbraw/zinc/17/97/03/133179703.db2.gz REIXAJSHCCTHKN-UHFFFAOYSA-N 1 1 310.354 2.065 20 5 DEBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000360397911 133179815 /nfs/dbraw/zinc/17/98/15/133179815.db2.gz ZAVOHSDZIKVVEN-ZYHUDNBSSA-N 1 1 322.365 2.208 20 5 DEBDMO Cc1csc([C@@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000361937001 133200477 /nfs/dbraw/zinc/20/04/77/133200477.db2.gz GLIQJFGUQIFRLF-LLVKDONJSA-N 1 1 321.406 2.473 20 5 DEBDMO Cc1csc([C@@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000361937001 133200478 /nfs/dbraw/zinc/20/04/78/133200478.db2.gz GLIQJFGUQIFRLF-LLVKDONJSA-N 1 1 321.406 2.473 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000362408291 133228519 /nfs/dbraw/zinc/22/85/19/133228519.db2.gz AIOIYTUCPWASJZ-WBMJQRKESA-N 1 1 303.362 2.258 20 5 DEBDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 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319.405 2.417 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN1CCN(C)c2[nH+]cccc21 ZINC000348952631 146332263 /nfs/dbraw/zinc/33/22/63/146332263.db2.gz VYVTVCDIQWSWQV-UHFFFAOYSA-N 1 1 314.345 2.455 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000359098926 147261817 /nfs/dbraw/zinc/26/18/17/147261817.db2.gz ZXOMQNQMAQISLE-CHWSQXEVSA-N 1 1 303.362 2.260 20 5 DEBDMO CC[NH+]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000072002813 401700486 /nfs/dbraw/zinc/70/04/86/401700486.db2.gz LILUORZBUHFORX-LBPRGKRZSA-N 1 1 306.366 2.003 20 5 DEBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CC1 ZINC000112983220 401763425 /nfs/dbraw/zinc/76/34/25/401763425.db2.gz YOESFBMRLBFZJS-UHFFFAOYSA-N 1 1 303.362 2.216 20 5 DEBDMO CCOC(=O)c1ccnc(NC[C@@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000077963823 401837391 /nfs/dbraw/zinc/83/73/91/401837391.db2.gz NLTKXBAEJKEUBR-SNVBAGLBSA-N 1 1 322.365 2.061 20 5 DEBDMO O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1cn2ccccc2[nH+]1 ZINC000078431304 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311.407 2.267 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000044670924 401947174 /nfs/dbraw/zinc/94/71/74/401947174.db2.gz QDQOJESSFFAICI-NSHDSACASA-N 1 1 311.769 2.462 20 5 DEBDMO COc1cc(C[N@@H+](C)CC2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000093314681 402013561 /nfs/dbraw/zinc/01/35/61/402013561.db2.gz HJFGAFZWMHNGIA-UHFFFAOYSA-N 1 1 324.377 2.470 20 5 DEBDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093754599 402019704 /nfs/dbraw/zinc/01/97/04/402019704.db2.gz AIHMSYBUPPXZQS-OAHLLOKOSA-N 1 1 308.378 2.388 20 5 DEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000054620756 402069910 /nfs/dbraw/zinc/06/99/10/402069910.db2.gz YJUQMINJNADKHL-NSHDSACASA-N 1 1 302.334 2.166 20 5 DEBDMO O=C(CC[N@H+]1CC[C@]2(CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000153383280 402142052 /nfs/dbraw/zinc/14/20/52/402142052.db2.gz PNENTTPTAYDHCZ-INIZCTEOSA-N 1 1 319.361 2.036 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(CCOC3)C2)c2c(c1)COCO2 ZINC000153390402 402142432 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DEBDMO O=[N+]([O-])c1cccc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803258 402244323 /nfs/dbraw/zinc/24/43/23/402244323.db2.gz CXBSWRTXMJBFQS-INIZCTEOSA-N 1 1 319.405 2.139 20 5 DEBDMO Cn1cccc1[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176287993 402296900 /nfs/dbraw/zinc/29/69/00/402296900.db2.gz KKNSLXTZILPONO-CQSZACIVSA-N 1 1 303.366 2.357 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177639792 402422544 /nfs/dbraw/zinc/42/25/44/402422544.db2.gz HPUDGQKIFYRRNU-JQWIXIFHSA-N 1 1 304.350 2.342 20 5 DEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc([N+](=O)[O-])c1 ZINC000177787097 402436452 /nfs/dbraw/zinc/43/64/52/402436452.db2.gz RCOUQOUXCZWXKY-NEPJUHHUSA-N 1 1 309.391 2.355 20 5 DEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000177800550 402437467 /nfs/dbraw/zinc/43/74/67/402437467.db2.gz YJAGWIZJSGYYTP-CABCVRRESA-N 1 1 317.389 2.223 20 5 DEBDMO COC(=O)C[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000179141751 402576012 /nfs/dbraw/zinc/57/60/12/402576012.db2.gz KCKWRURXXGNYLU-LBPRGKRZSA-N 1 1 308.334 2.001 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000171075403 402554622 /nfs/dbraw/zinc/55/46/22/402554622.db2.gz SLNIKGJYOWMKLN-CYBMUJFWSA-N 1 1 322.409 2.467 20 5 DEBDMO CC[N@@H+](CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CC1 ZINC000171093252 402557010 /nfs/dbraw/zinc/55/70/10/402557010.db2.gz KJMCVICNXDASNK-UHFFFAOYSA-N 1 1 318.377 2.376 20 5 DEBDMO COc1ccc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)cc1[N+](=O)[O-] ZINC000170733198 402518051 /nfs/dbraw/zinc/51/80/51/402518051.db2.gz LHVVLWCYAFJWEH-LBPRGKRZSA-N 1 1 321.377 2.081 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170737461 402518596 /nfs/dbraw/zinc/51/85/96/402518596.db2.gz NPMVJFRDBGSJOI-GFCCVEGCSA-N 1 1 321.377 2.081 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCO[C@@H](C)C1 ZINC000170774580 402523766 /nfs/dbraw/zinc/52/37/66/402523766.db2.gz PCHUZRYGGXMMKM-ZDUSSCGKSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1CO ZINC000248901478 402614111 /nfs/dbraw/zinc/61/41/11/402614111.db2.gz HJVDMLOFRWPCAG-ABAIWWIYSA-N 1 1 317.345 2.453 20 5 DEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@@H]1O ZINC000181472114 402646664 /nfs/dbraw/zinc/64/66/64/402646664.db2.gz ATYBVBVNIDXPLO-CJNGLKHVSA-N 1 1 308.378 2.457 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000172337603 402650826 /nfs/dbraw/zinc/65/08/26/402650826.db2.gz QXIRQIXTGNKBFT-AWEZNQCLSA-N 1 1 306.366 2.399 20 5 DEBDMO C[C@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000252442030 402653046 /nfs/dbraw/zinc/65/30/46/402653046.db2.gz GBUKYSQZPLVKIU-WFASDCNBSA-N 1 1 318.377 2.145 20 5 DEBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255009978 402675277 /nfs/dbraw/zinc/67/52/77/402675277.db2.gz QPVSIPLHDMAOTJ-JWINAJMKSA-N 1 1 315.373 2.303 20 5 DEBDMO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000182324206 402681114 /nfs/dbraw/zinc/68/11/14/402681114.db2.gz CMXVVVWEWXZIOV-IHRRRGAJSA-N 1 1 308.378 2.312 20 5 DEBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]2CCCC[C@H]12 ZINC000182479936 402693517 /nfs/dbraw/zinc/69/35/17/402693517.db2.gz MTXBKHCZDICOLU-CFVMTHIKSA-N 1 1 305.378 2.267 20 5 DEBDMO CC[C@@H]([NH2+]CCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000193024024 402761022 /nfs/dbraw/zinc/76/10/22/402761022.db2.gz LFWZPDZXSNEVSN-QGZVFWFLSA-N 1 1 320.437 2.273 20 5 DEBDMO CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000174024606 402723905 /nfs/dbraw/zinc/72/39/05/402723905.db2.gz SNJQHBQDMITVAK-CQSZACIVSA-N 1 1 305.378 2.371 20 5 DEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000194730984 402813290 /nfs/dbraw/zinc/81/32/90/402813290.db2.gz QZRSTKTYJFSEKH-WCQYABFASA-N 1 1 323.418 2.286 20 5 DEBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc([N+](=O)[O-])c(C)c3)C2)CC1 ZINC000264412287 402876108 /nfs/dbraw/zinc/87/61/08/402876108.db2.gz OWDDAJSLFSBYGD-INIZCTEOSA-N 1 1 318.421 2.119 20 5 DEBDMO COc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000272176138 402906072 /nfs/dbraw/zinc/90/60/72/402906072.db2.gz JIABTCBEBZDMFQ-QMTHXVAHSA-N 1 1 309.341 2.273 20 5 DEBDMO C[N@@H+](CCCCCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000278961496 402890575 /nfs/dbraw/zinc/89/05/75/402890575.db2.gz WTTWFFDSDSKMSC-UHFFFAOYSA-N 1 1 309.366 2.018 20 5 DEBDMO COc1cc(C[N@@H+](C)CCCCCO)c([N+](=O)[O-])cc1OC ZINC000278986948 402893604 /nfs/dbraw/zinc/89/36/04/402893604.db2.gz ABAHVEBDHNGEMO-UHFFFAOYSA-N 1 1 312.366 2.206 20 5 DEBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000272497439 402944721 /nfs/dbraw/zinc/94/47/21/402944721.db2.gz GEAAJPLPNVCOGQ-WFASDCNBSA-N 1 1 316.361 2.044 20 5 DEBDMO CC[C@](C)(O)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272579387 402955148 /nfs/dbraw/zinc/95/51/48/402955148.db2.gz XPBSLZJVFOOJMJ-ZBFHGGJFSA-N 1 1 318.377 2.168 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272241862 402913638 /nfs/dbraw/zinc/91/36/38/402913638.db2.gz GQSGSNQGAZRJPG-IUODEOHRSA-N 1 1 318.377 2.461 20 5 DEBDMO C[N@H+]1CCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272409100 402933722 /nfs/dbraw/zinc/93/37/22/402933722.db2.gz CUFVZNYQLJIVLB-GFCCVEGCSA-N 1 1 311.769 2.001 20 5 DEBDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267006284 403007590 /nfs/dbraw/zinc/00/75/90/403007590.db2.gz FRUGOIFESRIJDU-GFCCVEGCSA-N 1 1 312.341 2.219 20 5 DEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CC(C)(C)O ZINC000267142590 403019363 /nfs/dbraw/zinc/01/93/63/403019363.db2.gz IZUPKCIKIJDUGL-JTQLQIEISA-N 1 1 320.349 2.409 20 5 DEBDMO COc1ccc(OCC[N@@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000266553876 402973517 /nfs/dbraw/zinc/97/35/17/402973517.db2.gz UYVKRWXYXAVKKW-CQSZACIVSA-N 1 1 324.377 2.483 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000268165495 403056517 /nfs/dbraw/zinc/05/65/17/403056517.db2.gz PODZDIFKZPONQD-WPRPVWTQSA-N 1 1 307.379 2.199 20 5 DEBDMO CC[N@@H+](CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000269715936 403160240 /nfs/dbraw/zinc/16/02/40/403160240.db2.gz WFVCYUJUBAMYOE-UHFFFAOYSA-N 1 1 311.769 2.349 20 5 DEBDMO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000276359330 403167438 /nfs/dbraw/zinc/16/74/38/403167438.db2.gz AEOOAABHHPUWGA-MFKMUULPSA-N 1 1 310.325 2.365 20 5 DEBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000276359330 403167441 /nfs/dbraw/zinc/16/74/41/403167441.db2.gz AEOOAABHHPUWGA-MFKMUULPSA-N 1 1 310.325 2.365 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000270703322 403214870 /nfs/dbraw/zinc/21/48/70/403214870.db2.gz GBBAXSVTPCPBLR-CYBMUJFWSA-N 1 1 321.377 2.424 20 5 DEBDMO CC[N@@H+](CC(C)(C)O)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000270713455 403216075 /nfs/dbraw/zinc/21/60/75/403216075.db2.gz ISVDTQOYSKSYEW-NSHDSACASA-N 1 1 309.366 2.015 20 5 DEBDMO Cc1c(C[N@H+]2CC[C@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000270872914 403234140 /nfs/dbraw/zinc/23/41/40/403234140.db2.gz JKLQDMPKMIMTOK-AWEZNQCLSA-N 1 1 303.362 2.100 20 5 DEBDMO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@H+]1CCOC ZINC000270881090 403235042 /nfs/dbraw/zinc/23/50/42/403235042.db2.gz DSVXNVQMPNQTJK-CQSZACIVSA-N 1 1 322.409 2.235 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](CC)C2)c1 ZINC000283458172 403198765 /nfs/dbraw/zinc/19/87/65/403198765.db2.gz LKMHFEJJLYAZGC-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C(C)(C)C1 ZINC000270933363 403241565 /nfs/dbraw/zinc/24/15/65/403241565.db2.gz QQZQBFDMJMCHJU-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C(C)(C)C1 ZINC000270933363 403241568 /nfs/dbraw/zinc/24/15/68/403241568.db2.gz QQZQBFDMJMCHJU-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[N@H+](C)CCN1C ZINC000277678889 403244349 /nfs/dbraw/zinc/24/43/49/403244349.db2.gz AVLYBUUXCJBQGE-GFCCVEGCSA-N 1 1 312.801 2.214 20 5 DEBDMO Cc1n[nH]c(C)c1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000270997653 403251377 /nfs/dbraw/zinc/25/13/77/403251377.db2.gz JYTMUYXJJQEBSC-UHFFFAOYSA-N 1 1 315.377 2.257 20 5 DEBDMO CC[NH+](CC)Cc1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000277916346 403270980 /nfs/dbraw/zinc/27/09/80/403270980.db2.gz MYDYAAWFPODPOJ-UHFFFAOYSA-N 1 1 320.349 2.419 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284736092 403271361 /nfs/dbraw/zinc/27/13/61/403271361.db2.gz KPLNZRNYSPTYTJ-RRQGHBQHSA-N 1 1 319.405 2.369 20 5 DEBDMO COc1ccc(OCCN2C[C@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000330595944 403285562 /nfs/dbraw/zinc/28/55/62/403285562.db2.gz RGQQMWJOMOHYSW-QWHCGFSZSA-N 1 1 323.393 2.007 20 5 DEBDMO COCC(C)(C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000292225352 403326753 /nfs/dbraw/zinc/32/67/53/403326753.db2.gz VGJGFANQSNICDH-UHFFFAOYSA-N 1 1 309.366 2.199 20 5 DEBDMO COCC(C)(C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000292225352 403326757 /nfs/dbraw/zinc/32/67/57/403326757.db2.gz VGJGFANQSNICDH-UHFFFAOYSA-N 1 1 309.366 2.199 20 5 DEBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000298459748 403387573 /nfs/dbraw/zinc/38/75/73/403387573.db2.gz WDCVRQINLKSENU-UHFFFAOYSA-N 1 1 322.409 2.121 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cs1 ZINC000331534425 403410152 /nfs/dbraw/zinc/41/01/52/403410152.db2.gz HHHRBKAXFJNFAE-YNEHKIRRSA-N 1 1 312.391 2.018 20 5 DEBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000342960096 403411513 /nfs/dbraw/zinc/41/15/13/403411513.db2.gz LLMNLHNTQQEPRV-MLGOLLRUSA-N 1 1 317.389 2.284 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345727655 403457936 /nfs/dbraw/zinc/45/79/36/403457936.db2.gz ZUBYQVDBGDBDCO-OLZOCXBDSA-N 1 1 320.393 2.219 20 5 DEBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c(F)c1 ZINC000332237185 403525181 /nfs/dbraw/zinc/52/51/81/403525181.db2.gz QJRWMSTXXDCMGY-UMNHJUIQSA-N 1 1 312.316 2.466 20 5 DEBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c(F)c1 ZINC000332237185 403525183 /nfs/dbraw/zinc/52/51/83/403525183.db2.gz QJRWMSTXXDCMGY-UMNHJUIQSA-N 1 1 312.316 2.466 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000345903328 403527561 /nfs/dbraw/zinc/52/75/61/403527561.db2.gz JTFKLEXBHWWUQC-VXGBXAGGSA-N 1 1 321.377 2.158 20 5 DEBDMO COC(=O)[C@H]1CSCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000332247193 403528904 /nfs/dbraw/zinc/52/89/04/403528904.db2.gz XDXDOMHMBHJXQY-NWDGAFQWSA-N 1 1 324.402 2.494 20 5 DEBDMO CC[N@H+](CCOC)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299231090 403550145 /nfs/dbraw/zinc/55/01/45/403550145.db2.gz PWVJJCDBCQLLPG-UHFFFAOYSA-N 1 1 315.757 2.155 20 5 DEBDMO CC[N@@H+](CCOC)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299231090 403550150 /nfs/dbraw/zinc/55/01/50/403550150.db2.gz PWVJJCDBCQLLPG-UHFFFAOYSA-N 1 1 315.757 2.155 20 5 DEBDMO CC(C)[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000343204051 403494054 /nfs/dbraw/zinc/49/40/54/403494054.db2.gz IGQXMDVWBLNGOR-NSHDSACASA-N 1 1 321.406 2.376 20 5 DEBDMO COc1ccc(OCCN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000293544811 403500134 /nfs/dbraw/zinc/50/01/34/403500134.db2.gz YJHOMNYRGWLYDL-BETUJISGSA-N 1 1 323.393 2.007 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000343551202 403634228 /nfs/dbraw/zinc/63/42/28/403634228.db2.gz POZXYVDUIBAWFO-LBPRGKRZSA-N 1 1 320.393 2.241 20 5 DEBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347354046 403676642 /nfs/dbraw/zinc/67/66/42/403676642.db2.gz IEHMBLAHTJJRDQ-AWEZNQCLSA-N 1 1 321.352 2.481 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])cc1OC ZINC000294236215 403680004 /nfs/dbraw/zinc/68/00/04/403680004.db2.gz ZOOIKDRLVRKLFW-LBPRGKRZSA-N 1 1 324.377 2.206 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000294104698 403648906 /nfs/dbraw/zinc/64/89/06/403648906.db2.gz KVXHMTAYHRNXEI-AWEZNQCLSA-N 1 1 309.391 2.214 20 5 DEBDMO C[C@@H]1C[N@@H+](CCN(C)c2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000302826238 403731104 /nfs/dbraw/zinc/73/11/04/403731104.db2.gz AMLGRJSIYOGWKH-TXEJJXNPSA-N 1 1 311.357 2.279 20 5 DEBDMO C[C@@H]1C[N@H+](CCN(C)c2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000302826238 403731108 /nfs/dbraw/zinc/73/11/08/403731108.db2.gz AMLGRJSIYOGWKH-TXEJJXNPSA-N 1 1 311.357 2.279 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000341195826 403821059 /nfs/dbraw/zinc/82/10/59/403821059.db2.gz IJLVEKQLFNFPCF-JSGCOSHPSA-N 1 1 320.393 2.219 20 5 DEBDMO Cc1ccc2[nH+]c(Cn3cc(Cl)cc([N+](=O)[O-])c3=O)cn2c1 ZINC000347731851 403832461 /nfs/dbraw/zinc/83/24/61/403832461.db2.gz DGBFNYQIQNKPDP-UHFFFAOYSA-N 1 1 318.720 2.414 20 5 DEBDMO C[C@@H]([N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)O ZINC000295174198 403784372 /nfs/dbraw/zinc/78/43/72/403784372.db2.gz OTVZPEZSYOURTK-SNVBAGLBSA-N 1 1 320.349 2.236 20 5 DEBDMO O=[N+]([O-])c1cccnc1N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000361810558 403880177 /nfs/dbraw/zinc/88/01/77/403880177.db2.gz DPVPMUMHZOTTCF-QWHCGFSZSA-N 1 1 306.366 2.045 20 5 DEBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000305232699 403888930 /nfs/dbraw/zinc/88/89/30/403888930.db2.gz TYESRRZWVHRVQX-CHWSQXEVSA-N 1 1 321.377 2.159 20 5 DEBDMO CSC1(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000347865237 403917269 /nfs/dbraw/zinc/91/72/69/403917269.db2.gz ZFCGUEDKZPDHBE-NSHDSACASA-N 1 1 308.407 2.372 20 5 DEBDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000337422269 404012532 /nfs/dbraw/zinc/01/25/32/404012532.db2.gz BRPDGAHQRHITKP-ZBEGNZNMSA-N 1 1 322.361 2.234 20 5 DEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351936061 404020728 /nfs/dbraw/zinc/02/07/28/404020728.db2.gz OGMCATKMGDHQHN-GBIKHYSHSA-N 1 1 318.333 2.018 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000289462995 403974496 /nfs/dbraw/zinc/97/44/96/403974496.db2.gz QFNJTYGFAAESQF-GDBMZVCRSA-N 1 1 320.389 2.457 20 5 DEBDMO COC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411808885 403976323 /nfs/dbraw/zinc/97/63/23/403976323.db2.gz MNJIDBNDCGQNNJ-OAHLLOKOSA-N 1 1 321.377 2.424 20 5 DEBDMO CNc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000320224332 404063069 /nfs/dbraw/zinc/06/30/69/404063069.db2.gz TVJJFMSNCXGPHJ-NSHDSACASA-N 1 1 308.382 2.095 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363096771 404070455 /nfs/dbraw/zinc/07/04/55/404070455.db2.gz DNUQEDLMJMQRHJ-OLZOCXBDSA-N 1 1 303.362 2.260 20 5 DEBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000412074759 404112019 /nfs/dbraw/zinc/11/20/19/404112019.db2.gz IUDHHHDWISISSJ-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC([NH+]2CCCC2)CC1 ZINC000349831330 404219921 /nfs/dbraw/zinc/21/99/21/404219921.db2.gz KZPCTHXXOUOVOH-UHFFFAOYSA-N 1 1 305.378 2.361 20 5 DEBDMO Cn1c2ccc(C[NH2+]Cc3ccccc3[N+](=O)[O-])cc2oc1=O ZINC000352151340 404179893 /nfs/dbraw/zinc/17/98/93/404179893.db2.gz QMHPROAQONZBKO-UHFFFAOYSA-N 1 1 313.313 2.330 20 5 DEBDMO C[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000296328841 404198950 /nfs/dbraw/zinc/19/89/50/404198950.db2.gz GPEVSWWIHZCQGQ-NEPJUHHUSA-N 1 1 320.393 2.438 20 5 DEBDMO COc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000337822177 404263167 /nfs/dbraw/zinc/26/31/67/404263167.db2.gz UZIJKBXRHWYFKJ-UONOGXRCSA-N 1 1 305.378 2.320 20 5 DEBDMO O=C(Cn1c[nH+]c2c1CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000296821133 404328414 /nfs/dbraw/zinc/32/84/14/404328414.db2.gz RUCHGHMJXDJVMI-UHFFFAOYSA-N 1 1 300.318 2.309 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000290880293 404349212 /nfs/dbraw/zinc/34/92/12/404349212.db2.gz SGEKHNZODPTZBH-CYBMUJFWSA-N 1 1 322.409 2.165 20 5 DEBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000413299256 404422915 /nfs/dbraw/zinc/42/29/15/404422915.db2.gz HHBOPKMXSFIYCA-COPLHBTASA-N 1 1 308.357 2.295 20 5 DEBDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCCC2 ZINC000372720811 404508426 /nfs/dbraw/zinc/50/84/26/404508426.db2.gz ZFAPSAZEYKWWBY-ZIAGYGMSSA-N 1 1 322.409 2.498 20 5 DEBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCCC2 ZINC000372720811 404508430 /nfs/dbraw/zinc/50/84/30/404508430.db2.gz ZFAPSAZEYKWWBY-ZIAGYGMSSA-N 1 1 322.409 2.498 20 5 DEBDMO Cc1nc(N2CCC[N@H+](C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000297065668 404434359 /nfs/dbraw/zinc/43/43/59/404434359.db2.gz JDNULMPRMAXUMF-UHFFFAOYSA-N 1 1 305.382 2.148 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000352673949 404537172 /nfs/dbraw/zinc/53/71/72/404537172.db2.gz OYOSDGQWPUMKFV-CQDKDKBSSA-N 1 1 321.377 2.075 20 5 DEBDMO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000330571168 404690780 /nfs/dbraw/zinc/69/07/80/404690780.db2.gz DDTUIPZFKVSEHO-OLZOCXBDSA-N 1 1 305.378 2.078 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000330580519 404693106 /nfs/dbraw/zinc/69/31/06/404693106.db2.gz QEMSBFGSKZDEED-KBPBESRZSA-N 1 1 307.394 2.388 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000330589969 404694921 /nfs/dbraw/zinc/69/49/21/404694921.db2.gz URQBILBJFIUIGZ-VXGBXAGGSA-N 1 1 320.393 2.393 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000356877980 404714337 /nfs/dbraw/zinc/71/43/37/404714337.db2.gz MVZOWCDNDPCDNU-OLZOCXBDSA-N 1 1 319.405 2.423 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000356877980 404714339 /nfs/dbraw/zinc/71/43/39/404714339.db2.gz MVZOWCDNDPCDNU-OLZOCXBDSA-N 1 1 319.405 2.423 20 5 DEBDMO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000415127760 404814246 /nfs/dbraw/zinc/81/42/46/404814246.db2.gz RESIMRPANFUESM-NVXWUHKLSA-N 1 1 319.405 2.313 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000354101816 405045595 /nfs/dbraw/zinc/04/55/95/405045595.db2.gz WPTRMDSCFRGAGD-KBPBESRZSA-N 1 1 306.362 2.462 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000408071735 405104334 /nfs/dbraw/zinc/10/43/34/405104334.db2.gz LCOATZFANJQZJG-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000408071735 405104337 /nfs/dbraw/zinc/10/43/37/405104337.db2.gz LCOATZFANJQZJG-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408069426 405104917 /nfs/dbraw/zinc/10/49/17/405104917.db2.gz BFMBTLNGFUGPOG-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408069426 405104921 /nfs/dbraw/zinc/10/49/21/405104921.db2.gz BFMBTLNGFUGPOG-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO COC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000452038263 405137613 /nfs/dbraw/zinc/13/76/13/405137613.db2.gz MLEMIEGSFDULBN-HNNXBMFYSA-N 1 1 321.377 2.059 20 5 DEBDMO COC[C@@H]1CCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000452038263 405137617 /nfs/dbraw/zinc/13/76/17/405137617.db2.gz MLEMIEGSFDULBN-HNNXBMFYSA-N 1 1 321.377 2.059 20 5 DEBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000408276815 405159733 /nfs/dbraw/zinc/15/97/33/405159733.db2.gz LMACBMXFCUKWIQ-GWCFXTLKSA-N 1 1 322.340 2.434 20 5 DEBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000408276436 405159954 /nfs/dbraw/zinc/15/99/54/405159954.db2.gz IVUMSYAVFWNKRN-GFCCVEGCSA-N 1 1 308.313 2.046 20 5 DEBDMO COC(=O)c1cccc(OCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000419109485 405224758 /nfs/dbraw/zinc/22/47/58/405224758.db2.gz HMJLTNUNJPVLDQ-UHFFFAOYSA-N 1 1 319.317 2.355 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC000368198047 405231704 /nfs/dbraw/zinc/23/17/04/405231704.db2.gz BYXWZSKMNIXPKR-HNNXBMFYSA-N 1 1 320.324 2.084 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000425556672 405302647 /nfs/dbraw/zinc/30/26/47/405302647.db2.gz VGEWJPAPYBDFME-OAHLLOKOSA-N 1 1 320.393 2.072 20 5 DEBDMO CCOc1cc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000420932194 405408380 /nfs/dbraw/zinc/40/83/80/405408380.db2.gz DVOHPGLGJHIDID-GXTWGEPZSA-N 1 1 308.378 2.444 20 5 DEBDMO CCOc1cc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000420932197 405408469 /nfs/dbraw/zinc/40/84/69/405408469.db2.gz DVOHPGLGJHIDID-JSGCOSHPSA-N 1 1 308.378 2.444 20 5 DEBDMO CC1(C)CCC[N@@H+](CCNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420613861 405361891 /nfs/dbraw/zinc/36/18/91/405361891.db2.gz UILPUZSUJNHFBD-UHFFFAOYSA-N 1 1 320.393 2.228 20 5 DEBDMO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)N(C)C ZINC000449557049 405611688 /nfs/dbraw/zinc/61/16/88/405611688.db2.gz PJAZMWOSRZXOEA-VIFPVBQESA-N 1 1 303.309 2.236 20 5 DEBDMO CCOc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000421707635 405600850 /nfs/dbraw/zinc/60/08/50/405600850.db2.gz XZAYJTSVPAQNAF-CYBMUJFWSA-N 1 1 321.377 2.160 20 5 DEBDMO C[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000558034439 405639793 /nfs/dbraw/zinc/63/97/93/405639793.db2.gz YEBGYIMQYZTBOD-CXAGYDPISA-N 1 1 317.389 2.253 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000457090910 405691997 /nfs/dbraw/zinc/69/19/97/405691997.db2.gz MLVQFWWJMWXAGH-MRXNPFEDSA-N 1 1 319.405 2.469 20 5 DEBDMO CCOc1ccc([C@H](C)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000423336419 405765172 /nfs/dbraw/zinc/76/51/72/405765172.db2.gz GWGVNCHHAFPIQG-VIFPVBQESA-N 1 1 303.309 2.238 20 5 DEBDMO COC(=O)CC1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1 ZINC000459390080 405884524 /nfs/dbraw/zinc/88/45/24/405884524.db2.gz ONQXJVBBMMGGTO-UHFFFAOYSA-N 1 1 314.288 2.448 20 5 DEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532691524 406093314 /nfs/dbraw/zinc/09/33/14/406093314.db2.gz MQPYEOHFYBLVLN-ZDUSSCGKSA-N 1 1 320.393 2.230 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000520214808 406274387 /nfs/dbraw/zinc/27/43/87/406274387.db2.gz CAIYDVKFMXFIOE-CYBMUJFWSA-N 1 1 305.378 2.378 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000520214808 406274392 /nfs/dbraw/zinc/27/43/92/406274392.db2.gz CAIYDVKFMXFIOE-CYBMUJFWSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1 ZINC000488715806 406339758 /nfs/dbraw/zinc/33/97/58/406339758.db2.gz BEARPEUWXBWGFG-SLEUVZQESA-N 1 1 304.394 2.465 20 5 DEBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCO[C@H]1C ZINC000489473854 406410424 /nfs/dbraw/zinc/41/04/24/406410424.db2.gz JVQGCJUEZUNOHH-SWLSCSKDSA-N 1 1 324.377 2.229 20 5 DEBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCO[C@H]1C ZINC000489473854 406410425 /nfs/dbraw/zinc/41/04/25/406410425.db2.gz JVQGCJUEZUNOHH-SWLSCSKDSA-N 1 1 324.377 2.229 20 5 DEBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000132825926 196287665 /nfs/dbraw/zinc/28/76/65/196287665.db2.gz BMBOBIPXRJIKPL-AWEZNQCLSA-N 1 1 313.361 2.461 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000132827815 196288111 /nfs/dbraw/zinc/28/81/11/196288111.db2.gz ZJHMHIZBMRHLHA-NSHDSACASA-N 1 1 309.341 2.196 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134326331 196379064 /nfs/dbraw/zinc/37/90/64/196379064.db2.gz YNODJWJCHKYYGK-GFCCVEGCSA-N 1 1 309.341 2.338 20 5 DEBDMO C[C@@H]1COCC[N@@H+]1CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000413002227 228262386 /nfs/dbraw/zinc/26/23/86/228262386.db2.gz QVCVFUDNZYDQMR-CYBMUJFWSA-N 1 1 316.361 2.179 20 5 DEBDMO C[C@@H]1COCC[N@H+]1CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000413002227 228262389 /nfs/dbraw/zinc/26/23/89/228262389.db2.gz QVCVFUDNZYDQMR-CYBMUJFWSA-N 1 1 316.361 2.179 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347436693 425012874 /nfs/dbraw/zinc/01/28/74/425012874.db2.gz ULUBICWQAYDWHF-LLVKDONJSA-N 1 1 303.366 2.680 20 5 DEBDMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000341262801 424953401 /nfs/dbraw/zinc/95/34/01/424953401.db2.gz QQXLMJIRFJLMQD-ZDUSSCGKSA-N 1 1 312.373 3.020 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000596558076 425027507 /nfs/dbraw/zinc/02/75/07/425027507.db2.gz MPOGGPIYJORTLL-OAHLLOKOSA-N 1 1 312.373 2.985 20 5 DEBDMO COc1ccc(OCC[N@@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000363676412 269068770 /nfs/dbraw/zinc/06/87/70/269068770.db2.gz PFSKMCSHWQSQLP-ZDUSSCGKSA-N 1 1 324.377 2.483 20 5 DEBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCO[C@@H]1C ZINC000430242116 269127836 /nfs/dbraw/zinc/12/78/36/269127836.db2.gz HZCFWCSLNIVUDT-IUODEOHRSA-N 1 1 324.377 2.229 20 5 DEBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCO[C@@H]1C ZINC000430242116 269127837 /nfs/dbraw/zinc/12/78/37/269127837.db2.gz HZCFWCSLNIVUDT-IUODEOHRSA-N 1 1 324.377 2.229 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000342143093 274300816 /nfs/dbraw/zinc/30/08/16/274300816.db2.gz VRKMAJJNYYTOCO-SECBINFHSA-N 1 1 307.379 2.130 20 5 DEBDMO Cn1cc[nH+]c1N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000287192985 274897441 /nfs/dbraw/zinc/89/74/41/274897441.db2.gz HGAIQDYTXKGUSM-UHFFFAOYSA-N 1 1 321.768 2.308 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCO)C1CCOCC1 ZINC000275864870 275039884 /nfs/dbraw/zinc/03/98/84/275039884.db2.gz JJWNQUNMWWWNHV-HWKANZROSA-N 1 1 306.362 2.081 20 5 DEBDMO CC(C)(C(=O)N1CC[NH2+]C[C@](C)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449576338 278264363 /nfs/dbraw/zinc/26/43/63/278264363.db2.gz RVJRACWBENWRIY-INIZCTEOSA-N 1 1 323.368 2.032 20 5 DEBDMO C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272650545 278330247 /nfs/dbraw/zinc/33/02/47/278330247.db2.gz ANCBANQTDWTZNK-SNVBAGLBSA-N 1 1 307.325 2.114 20 5 DEBDMO Cc1cccc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286349789 278923584 /nfs/dbraw/zinc/92/35/84/278923584.db2.gz MMLPWSCKUAXEFT-KBPBESRZSA-N 1 1 305.378 2.203 20 5 DEBDMO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H](C)[N@@H+]1C ZINC000292840370 288257805 /nfs/dbraw/zinc/25/78/05/288257805.db2.gz QMVKWFSBKPFKLR-PHIMTYICSA-N 1 1 318.377 2.008 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000572958342 326002570 /nfs/dbraw/zinc/00/25/70/326002570.db2.gz VHAHPHZZFQSWIQ-INIZCTEOSA-N 1 1 306.362 2.475 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000572958342 326002572 /nfs/dbraw/zinc/00/25/72/326002572.db2.gz VHAHPHZZFQSWIQ-INIZCTEOSA-N 1 1 306.362 2.475 20 5 DEBDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000573860875 326099850 /nfs/dbraw/zinc/09/98/50/326099850.db2.gz PHBVHHQUDYJBJR-GFCCVEGCSA-N 1 1 301.350 2.021 20 5 DEBDMO Cc1ccnc([C@@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000573860875 326099852 /nfs/dbraw/zinc/09/98/52/326099852.db2.gz PHBVHHQUDYJBJR-GFCCVEGCSA-N 1 1 301.350 2.021 20 5 DEBDMO CNc1ccc(C(=O)NCC[N@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000584276166 332179432 /nfs/dbraw/zinc/17/94/32/332179432.db2.gz CKRNIABWBXNWQJ-UHFFFAOYSA-N 1 1 320.393 2.241 20 5 DEBDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000583675471 336395175 /nfs/dbraw/zinc/39/51/75/336395175.db2.gz GCWGUVJKCXDUNF-HUUCEWRRSA-N 1 1 317.389 2.253 20 5 DEBDMO C[C@@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000584444490 337326300 /nfs/dbraw/zinc/32/63/00/337326300.db2.gz NBDQFMLRFJYWLD-CHWSQXEVSA-N 1 1 305.378 2.251 20 5 DEBDMO C[C@@H]1C[N@@H+](CCN2CCc3ccc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC001329875594 1149007404 /nfs/dbraw/zinc/00/74/04/1149007404.db2.gz BQAMSDKJWRTSOC-OKILXGFUSA-N 1 1 319.405 2.062 20 5 DEBDMO C[C@@H]1C[N@H+](CCN2CCc3ccc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC001329875594 1149007411 /nfs/dbraw/zinc/00/74/11/1149007411.db2.gz BQAMSDKJWRTSOC-OKILXGFUSA-N 1 1 319.405 2.062 20 5 DEBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cnn(C)c1 ZINC000444682780 533943979 /nfs/dbraw/zinc/94/39/79/533943979.db2.gz BTNCVTRRRDOOPN-VIFPVBQESA-N 1 1 300.322 2.055 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000158130319 520252671 /nfs/dbraw/zinc/25/26/71/520252671.db2.gz MWAQTFZLOAVVLR-GFCCVEGCSA-N 1 1 323.368 2.077 20 5 DEBDMO C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000249152502 524673202 /nfs/dbraw/zinc/67/32/02/524673202.db2.gz XZPFYALMTNRBOJ-YRGRVCCFSA-N 1 1 306.366 2.044 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000246965014 525567176 /nfs/dbraw/zinc/56/71/76/525567176.db2.gz OJTDEIVCASYYCW-OLZOCXBDSA-N 1 1 321.377 2.341 20 5 DEBDMO C[N@H+]1CC[C@](O)(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000358307736 536481567 /nfs/dbraw/zinc/48/15/67/536481567.db2.gz OFWTWLAYAAGGNS-LBPRGKRZSA-N 1 1 319.283 2.092 20 5 DEBDMO NC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000339533862 526907359 /nfs/dbraw/zinc/90/73/59/526907359.db2.gz DSDMKBDRRIXSLD-HNNXBMFYSA-N 1 1 317.320 2.440 20 5 DEBDMO CC(C)(CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[N+](=O)[O-] ZINC000294446843 527004293 /nfs/dbraw/zinc/00/42/93/527004293.db2.gz ORFJJPSKAGYCOP-OAHLLOKOSA-N 1 1 319.405 2.213 20 5 DEBDMO CC(C)(CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[N+](=O)[O-] ZINC000294446839 527006356 /nfs/dbraw/zinc/00/63/56/527006356.db2.gz ORFJJPSKAGYCOP-HNNXBMFYSA-N 1 1 319.405 2.213 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+](CCO)Cc2ccccc2)c1 ZINC000103140433 527391565 /nfs/dbraw/zinc/39/15/65/527391565.db2.gz CHTLXFRGZDWXLP-UHFFFAOYSA-N 1 1 316.357 2.468 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000493565971 535209359 /nfs/dbraw/zinc/20/93/59/535209359.db2.gz YQJNVCROBKWWCL-KXPUMZMLSA-N 1 1 317.389 2.407 20 5 DEBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC000368204956 536352671 /nfs/dbraw/zinc/35/26/71/536352671.db2.gz XJWGDNHQRHGXKU-UHFFFAOYSA-N 1 1 309.391 2.357 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000493155904 536487091 /nfs/dbraw/zinc/48/70/91/536487091.db2.gz NIVGVNSWBFFDJS-FNHJVCLDSA-N 1 1 315.373 2.161 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC001327797537 1148646032 /nfs/dbraw/zinc/64/60/32/1148646032.db2.gz IXRZWKYDPWNKDE-LSDHHAIUSA-N 1 1 306.362 2.008 20 5 DEBDMO COCC(COC)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930638775 625289371 /nfs/dbraw/zinc/28/93/71/625289371.db2.gz OUZZVJRNCFAHIV-AWEZNQCLSA-N 1 1 308.378 2.436 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255377474 623782428 /nfs/dbraw/zinc/78/24/28/623782428.db2.gz CHLLDXLYBTZEPM-XURSXEJRSA-N 1 1 317.389 2.407 20 5 DEBDMO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000934040487 624690556 /nfs/dbraw/zinc/69/05/56/624690556.db2.gz SQFFJJBHUNLTHX-GDBMZVCRSA-N 1 1 324.377 2.276 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CCCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000892076439 624772796 /nfs/dbraw/zinc/77/27/96/624772796.db2.gz YIOIELSXZIGOGR-UHFFFAOYSA-N 1 1 310.350 2.310 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000892076439 624772797 /nfs/dbraw/zinc/77/27/97/624772797.db2.gz YIOIELSXZIGOGR-UHFFFAOYSA-N 1 1 310.350 2.310 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934256055 624805818 /nfs/dbraw/zinc/80/58/18/624805818.db2.gz ZQJIRMPDBSULJH-XOKHGSTOSA-N 1 1 319.405 2.187 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934256055 624805819 /nfs/dbraw/zinc/80/58/19/624805819.db2.gz ZQJIRMPDBSULJH-XOKHGSTOSA-N 1 1 319.405 2.187 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934256055 624805820 /nfs/dbraw/zinc/80/58/20/624805820.db2.gz ZQJIRMPDBSULJH-XOKHGSTOSA-N 1 1 319.405 2.187 20 5 DEBDMO CCOC[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000177628721 625042386 /nfs/dbraw/zinc/04/23/86/625042386.db2.gz VJBMSYGZTGPZNU-LBPRGKRZSA-N 1 1 304.350 2.260 20 5 DEBDMO COCC[N@@H+]1CC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892972912 625826554 /nfs/dbraw/zinc/82/65/54/625826554.db2.gz ZONLPHMZSUDOOS-ZDUSSCGKSA-N 1 1 313.785 2.059 20 5 DEBDMO COCC[N@H+]1CC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892972912 625826559 /nfs/dbraw/zinc/82/65/59/625826559.db2.gz ZONLPHMZSUDOOS-ZDUSSCGKSA-N 1 1 313.785 2.059 20 5 DEBDMO COCC[N@@H+]1CC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892972911 625827101 /nfs/dbraw/zinc/82/71/01/625827101.db2.gz ZONLPHMZSUDOOS-CYBMUJFWSA-N 1 1 313.785 2.059 20 5 DEBDMO COCC[N@H+]1CC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892972911 625827105 /nfs/dbraw/zinc/82/71/05/625827105.db2.gz ZONLPHMZSUDOOS-CYBMUJFWSA-N 1 1 313.785 2.059 20 5 DEBDMO C[C@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000836345519 650081503 /nfs/dbraw/zinc/08/15/03/650081503.db2.gz LILHZIXDDGVLSU-AAEUAGOBSA-N 1 1 306.366 2.049 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cnc3n2CCOC3)c1 ZINC000921833955 635465312 /nfs/dbraw/zinc/46/53/12/635465312.db2.gz BNJVJUOQCVRGQL-UHFFFAOYSA-N 1 1 322.752 2.265 20 5 DEBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000840959014 635749358 /nfs/dbraw/zinc/74/93/58/635749358.db2.gz XCMBLVVXBBYQBX-LLVKDONJSA-N 1 1 311.769 2.158 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000922167392 635962413 /nfs/dbraw/zinc/96/24/13/635962413.db2.gz SJYCYBNNKVCWCR-SECBINFHSA-N 1 1 315.732 2.211 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1[N+](=O)[O-] ZINC000893914151 636063956 /nfs/dbraw/zinc/06/39/56/636063956.db2.gz TUPNTGOLHBOPNQ-LOWVWBTDSA-N 1 1 324.377 2.290 20 5 DEBDMO C[C@H]1[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000922556982 636239842 /nfs/dbraw/zinc/23/98/42/636239842.db2.gz LKVBWKMMPVIIJB-CABZTGNLSA-N 1 1 315.320 2.378 20 5 DEBDMO C[C@H]1[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000922556982 636239849 /nfs/dbraw/zinc/23/98/49/636239849.db2.gz LKVBWKMMPVIIJB-CABZTGNLSA-N 1 1 315.320 2.378 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000894125575 636254023 /nfs/dbraw/zinc/25/40/23/636254023.db2.gz UMCGRJKESRNCFM-AAEUAGOBSA-N 1 1 324.377 2.434 20 5 DEBDMO C[N@@H+](CCOC(=O)CCC(C)(C)[N+](=O)[O-])Cc1ccccc1 ZINC000837926143 650298256 /nfs/dbraw/zinc/29/82/56/650298256.db2.gz ISFREWOIMWHCEA-UHFFFAOYSA-N 1 1 308.378 2.497 20 5 DEBDMO Cc1c(CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000894396187 636996980 /nfs/dbraw/zinc/99/69/80/636996980.db2.gz FLZQWMSDIAEUGB-CQSZACIVSA-N 1 1 320.393 2.139 20 5 DEBDMO COc1c(O)ccc(C[NH2+]Cc2ccnc(C)c2)c1[N+](=O)[O-] ZINC000894680546 637159456 /nfs/dbraw/zinc/15/94/56/637159456.db2.gz XCRTUKHCTNLDII-UHFFFAOYSA-N 1 1 303.318 2.302 20 5 DEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928438906 637236713 /nfs/dbraw/zinc/23/67/13/637236713.db2.gz NDNFNNVMZZMDIV-QBEHZEROSA-N 1 1 303.362 2.207 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000742241015 637299277 /nfs/dbraw/zinc/29/92/77/637299277.db2.gz MXWRTAYEAHVKQI-SNVBAGLBSA-N 1 1 311.769 2.462 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000737440943 637319624 /nfs/dbraw/zinc/31/96/24/637319624.db2.gz UMBIVSXIXIQAAH-LBPRGKRZSA-N 1 1 303.366 2.019 20 5 DEBDMO CC[N@@H+](C[C@@H]1CCOC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000738082387 637390358 /nfs/dbraw/zinc/39/03/58/637390358.db2.gz RQNVLQHBIQJPBO-LBPRGKRZSA-N 1 1 304.350 2.260 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@@H]1C ZINC000895102413 637561910 /nfs/dbraw/zinc/56/19/10/637561910.db2.gz WBTQEVLLYBDFGM-PHIMTYICSA-N 1 1 311.357 2.145 20 5 DEBDMO O=[N+]([O-])c1cnn(CN2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000151441289 637636554 /nfs/dbraw/zinc/63/65/54/637636554.db2.gz UPPPSLXZNHJKKT-UHFFFAOYSA-N 1 1 321.425 2.337 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCO)CC2)c(Cl)c1 ZINC000741750461 638008977 /nfs/dbraw/zinc/00/89/77/638008977.db2.gz VVAXPUBIGDUJOW-UHFFFAOYSA-N 1 1 313.785 2.143 20 5 DEBDMO COC(=O)CC1CC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000895498010 638060565 /nfs/dbraw/zinc/06/05/65/638060565.db2.gz ITSAHAUJTCPQEZ-UHFFFAOYSA-N 1 1 315.329 2.319 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000744344893 638212283 /nfs/dbraw/zinc/21/22/83/638212283.db2.gz HMUXDMKZXHXYEJ-CYBMUJFWSA-N 1 1 319.405 2.473 20 5 DEBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000744407141 638217184 /nfs/dbraw/zinc/21/71/84/638217184.db2.gz CVDQOJNZDMGBTN-UHFFFAOYSA-N 1 1 302.334 2.345 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@@H+](CCc2ccccc2)C2CC2)n1 ZINC000747959411 638494650 /nfs/dbraw/zinc/49/46/50/638494650.db2.gz OCKXSENJVUGNME-UHFFFAOYSA-N 1 1 300.362 2.498 20 5 DEBDMO CSc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000748346885 638543369 /nfs/dbraw/zinc/54/33/69/638543369.db2.gz SHNLXVNGSBCGKM-JTQLQIEISA-N 1 1 309.391 2.093 20 5 DEBDMO CSc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000748346885 638543374 /nfs/dbraw/zinc/54/33/74/638543374.db2.gz SHNLXVNGSBCGKM-JTQLQIEISA-N 1 1 309.391 2.093 20 5 DEBDMO COCC[N@@H+](CC(C)C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749940619 638694739 /nfs/dbraw/zinc/69/47/39/638694739.db2.gz LKIUGPAGAINRRC-UHFFFAOYSA-N 1 1 321.381 2.210 20 5 DEBDMO CC[C@@H]1C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CCS1 ZINC000749959031 638698274 /nfs/dbraw/zinc/69/82/74/638698274.db2.gz GPOJVGZAZRZORA-GFCCVEGCSA-N 1 1 321.406 2.433 20 5 DEBDMO CC[C@@H]1C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CCS1 ZINC000749959031 638698277 /nfs/dbraw/zinc/69/82/77/638698277.db2.gz GPOJVGZAZRZORA-GFCCVEGCSA-N 1 1 321.406 2.433 20 5 DEBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749985900 638700828 /nfs/dbraw/zinc/70/08/28/638700828.db2.gz QGFNDEVGEFCULJ-NSHDSACASA-N 1 1 323.780 2.462 20 5 DEBDMO CCC(=O)N1CCC([N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000985186571 639137350 /nfs/dbraw/zinc/13/73/50/639137350.db2.gz ANFOSCLVRNLENZ-UHFFFAOYSA-N 1 1 305.378 2.428 20 5 DEBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000728562079 639258470 /nfs/dbraw/zinc/25/84/70/639258470.db2.gz FALYTZPDXMTJAL-CQSZACIVSA-N 1 1 315.329 2.023 20 5 DEBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000728562079 639258474 /nfs/dbraw/zinc/25/84/74/639258474.db2.gz FALYTZPDXMTJAL-CQSZACIVSA-N 1 1 315.329 2.023 20 5 DEBDMO Cc1cc2c(cc1[N+](=O)[O-])N(CC[N@@H+]1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000754110717 639388343 /nfs/dbraw/zinc/38/83/43/639388343.db2.gz YRFSZQDVPAAHBP-GASCZTMLSA-N 1 1 317.389 2.129 20 5 DEBDMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000923983524 639721822 /nfs/dbraw/zinc/72/18/22/639721822.db2.gz SJWPECPPZDWMME-NTZNESFSSA-N 1 1 306.366 2.048 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000757541996 639846169 /nfs/dbraw/zinc/84/61/69/639846169.db2.gz JHWSNVCSXMNNDI-HZMBPMFUSA-N 1 1 320.418 2.364 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000759914857 640136915 /nfs/dbraw/zinc/13/69/15/640136915.db2.gz LYLYVOCIXUDFDA-HNNXBMFYSA-N 1 1 306.362 2.131 20 5 DEBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000763204825 640515071 /nfs/dbraw/zinc/51/50/71/640515071.db2.gz BCOLTZZSVINMKL-OLZOCXBDSA-N 1 1 303.362 2.470 20 5 DEBDMO COc1ccc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000764372331 640628733 /nfs/dbraw/zinc/62/87/33/640628733.db2.gz JAFGKVVLEJXRHS-HNNXBMFYSA-N 1 1 317.345 2.164 20 5 DEBDMO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cncs1 ZINC000766382264 640874987 /nfs/dbraw/zinc/87/49/87/640874987.db2.gz VVZCLIHBFIDKDI-VIFPVBQESA-N 1 1 306.347 2.341 20 5 DEBDMO O=C(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000767354052 640968785 /nfs/dbraw/zinc/96/87/85/640968785.db2.gz DIKOKZGSSYYZRB-UHFFFAOYSA-N 1 1 303.362 2.086 20 5 DEBDMO Cc1[nH+]ccn1CCCOC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000767563429 640993430 /nfs/dbraw/zinc/99/34/30/640993430.db2.gz PNFMKEKCWBLEHM-UHFFFAOYSA-N 1 1 319.317 2.112 20 5 DEBDMO O=C1OCCN1CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000768543753 641094413 /nfs/dbraw/zinc/09/44/13/641094413.db2.gz HZNOLHHTMOEBFN-UHFFFAOYSA-N 1 1 319.361 2.402 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000898977701 641875656 /nfs/dbraw/zinc/87/56/56/641875656.db2.gz LGMAFCFRSHYIFN-ZDUSSCGKSA-N 1 1 305.378 2.426 20 5 DEBDMO C[C@]1(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000842314455 650705177 /nfs/dbraw/zinc/70/51/77/650705177.db2.gz XYPTYGXHKUSQIR-BFYDXBDKSA-N 1 1 318.373 2.250 20 5 DEBDMO C[C@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000842314455 650705179 /nfs/dbraw/zinc/70/51/79/650705179.db2.gz XYPTYGXHKUSQIR-BFYDXBDKSA-N 1 1 318.373 2.250 20 5 DEBDMO C[C@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000842314455 650705180 /nfs/dbraw/zinc/70/51/80/650705180.db2.gz XYPTYGXHKUSQIR-BFYDXBDKSA-N 1 1 318.373 2.250 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776277569 642152770 /nfs/dbraw/zinc/15/27/70/642152770.db2.gz OCZAULQMLLJGQO-JQFCIGGWSA-N 1 1 321.421 2.433 20 5 DEBDMO COc1ccc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000776590812 642189407 /nfs/dbraw/zinc/18/94/07/642189407.db2.gz LDUGVAYGGMLONW-HNNXBMFYSA-N 1 1 317.345 2.164 20 5 DEBDMO Cc1nn(C[N@H+]2CCC[C@H]2C2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000776770842 642206279 /nfs/dbraw/zinc/20/62/79/642206279.db2.gz CAUJTFSLKHBEPB-AWEZNQCLSA-N 1 1 308.382 2.257 20 5 DEBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900241258 642297893 /nfs/dbraw/zinc/29/78/93/642297893.db2.gz RAGSZPMWXYSOOC-HIFRSBDPSA-N 1 1 303.362 2.228 20 5 DEBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901234315 642601590 /nfs/dbraw/zinc/60/15/90/642601590.db2.gz POXZDTVBKSFOMT-GDBMZVCRSA-N 1 1 317.389 2.270 20 5 DEBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000901234320 642601705 /nfs/dbraw/zinc/60/17/05/642601705.db2.gz POXZDTVBKSFOMT-HOCLYGCPSA-N 1 1 317.389 2.270 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000781355071 642742526 /nfs/dbraw/zinc/74/25/26/642742526.db2.gz WNCVYPNHCQPIFY-STQMWFEESA-N 1 1 316.304 2.332 20 5 DEBDMO Cc1nn(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c(C)c1[N+](=O)[O-] ZINC000842636833 650791984 /nfs/dbraw/zinc/79/19/84/650791984.db2.gz GJFMZSOVLGUDNR-NSHDSACASA-N 1 1 308.382 2.257 20 5 DEBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000785545480 643246680 /nfs/dbraw/zinc/24/66/80/643246680.db2.gz GTDXHPHHVWBZJK-KOZAUXTDSA-N 1 1 308.378 2.110 20 5 DEBDMO COc1cc([C@@H](C)[NH2+]Cc2cc(C)nn2C)cc([N+](=O)[O-])c1 ZINC000903164546 643273168 /nfs/dbraw/zinc/27/31/68/643273168.db2.gz IOAAPENMCGMQQM-LLVKDONJSA-N 1 1 304.350 2.496 20 5 DEBDMO O=[N+]([O-])CCNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000905382062 643883096 /nfs/dbraw/zinc/88/30/96/643883096.db2.gz PVCZZRYHXFMQBJ-MRXNPFEDSA-N 1 1 303.406 2.155 20 5 DEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C1(O)CCCC1 ZINC000905923431 644087525 /nfs/dbraw/zinc/08/75/25/644087525.db2.gz JRRJDAUCTZMFSP-INIZCTEOSA-N 1 1 322.405 2.471 20 5 DEBDMO C[C@H]1C[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC[C@@H]1C ZINC000794639317 644450816 /nfs/dbraw/zinc/45/08/16/644450816.db2.gz LZQXQCCSEGPGKP-QWRGUYRKSA-N 1 1 305.334 2.438 20 5 DEBDMO C[C@H]1C[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC[C@@H]1C ZINC000794639317 644450823 /nfs/dbraw/zinc/45/08/23/644450823.db2.gz LZQXQCCSEGPGKP-QWRGUYRKSA-N 1 1 305.334 2.438 20 5 DEBDMO CO[C@]1(C)CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000794650612 644453062 /nfs/dbraw/zinc/45/30/62/644453062.db2.gz RCCNBOFETXLIAE-OAHLLOKOSA-N 1 1 304.350 2.403 20 5 DEBDMO CCCc1[nH]nc(C(=O)OCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000796261380 644708161 /nfs/dbraw/zinc/70/81/61/644708161.db2.gz NPIWEIQJUKIADU-UHFFFAOYSA-N 1 1 321.337 2.022 20 5 DEBDMO CC[C@@H]1C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CCCO1 ZINC000799163525 645136684 /nfs/dbraw/zinc/13/66/84/645136684.db2.gz LLZGUFJXGLJFRH-CYBMUJFWSA-N 1 1 319.365 2.106 20 5 DEBDMO CC[C@@H]1C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CCCO1 ZINC000799163525 645136686 /nfs/dbraw/zinc/13/66/86/645136686.db2.gz LLZGUFJXGLJFRH-CYBMUJFWSA-N 1 1 319.365 2.106 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910283308 645388439 /nfs/dbraw/zinc/38/84/39/645388439.db2.gz KVCLDZSQTWQHEC-ZDUSSCGKSA-N 1 1 305.378 2.080 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000843885045 651043622 /nfs/dbraw/zinc/04/36/22/651043622.db2.gz WTYTXAMEQOFDCE-SNVBAGLBSA-N 1 1 309.341 2.209 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000843885045 651043626 /nfs/dbraw/zinc/04/36/26/651043626.db2.gz WTYTXAMEQOFDCE-SNVBAGLBSA-N 1 1 309.341 2.209 20 5 DEBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000804625115 645798105 /nfs/dbraw/zinc/79/81/05/645798105.db2.gz WKNHUMPLKQADDK-SECBINFHSA-N 1 1 303.278 2.126 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)Cn1cc[nH+]c1C ZINC000810612768 646385740 /nfs/dbraw/zinc/38/57/40/646385740.db2.gz IKNXUTSFRQVYJS-SNVBAGLBSA-N 1 1 319.317 2.354 20 5 DEBDMO CNc1ccc(C(=O)O[C@@H](C)Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000810613890 646387135 /nfs/dbraw/zinc/38/71/35/646387135.db2.gz YLMKKKOJVNPWTI-JTQLQIEISA-N 1 1 318.333 2.387 20 5 DEBDMO C[N@H+](CC1CCCC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000058207537 646540642 /nfs/dbraw/zinc/54/06/42/646540642.db2.gz GOFSPGSZUWDDKW-UHFFFAOYSA-N 1 1 317.345 2.270 20 5 DEBDMO C[N@@H+](CC1CCCC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000058207537 646540645 /nfs/dbraw/zinc/54/06/45/646540645.db2.gz GOFSPGSZUWDDKW-UHFFFAOYSA-N 1 1 317.345 2.270 20 5 DEBDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815557086 647030553 /nfs/dbraw/zinc/03/05/53/647030553.db2.gz LXTFJSBPABKYEN-ZUZCIYMTSA-N 1 1 314.345 2.054 20 5 DEBDMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815560259 647031179 /nfs/dbraw/zinc/03/11/79/647031179.db2.gz BZHKQNNYYSVZJN-YUTCNCBUSA-N 1 1 304.394 2.454 20 5 DEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])[C@@H]2C1 ZINC000816952959 647204526 /nfs/dbraw/zinc/20/45/26/647204526.db2.gz WLBADUKZJDQVGI-JOYOIKCWSA-N 1 1 309.753 2.024 20 5 DEBDMO C[NH+](C)C1(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000818960404 647550550 /nfs/dbraw/zinc/55/05/50/647550550.db2.gz CJAUJLLQRSCMQT-HNNXBMFYSA-N 1 1 307.394 2.092 20 5 DEBDMO C[C@@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000818968973 647552373 /nfs/dbraw/zinc/55/23/73/647552373.db2.gz HZHPRYXJELDLPD-YOEHRIQHSA-N 1 1 321.421 2.340 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000819029716 647568656 /nfs/dbraw/zinc/56/86/56/647568656.db2.gz PDUSEDGVEWLOEP-SMDDNHRTSA-N 1 1 320.418 2.318 20 5 DEBDMO CCc1nc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000819036572 647569735 /nfs/dbraw/zinc/56/97/35/647569735.db2.gz CLKAPJWEWOHWPS-CYBMUJFWSA-N 1 1 307.375 2.437 20 5 DEBDMO CC(C)C[N@@H+]1CC[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819151863 647595501 /nfs/dbraw/zinc/59/55/01/647595501.db2.gz GRDBASGZAFHGIJ-RHSMWYFYSA-N 1 1 321.421 2.196 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819151863 647595508 /nfs/dbraw/zinc/59/55/08/647595508.db2.gz GRDBASGZAFHGIJ-RHSMWYFYSA-N 1 1 321.421 2.196 20 5 DEBDMO CC(C)(CNC[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000819260880 647620132 /nfs/dbraw/zinc/62/01/32/647620132.db2.gz WIVLBVOUGDZXGM-INIZCTEOSA-N 1 1 321.421 2.340 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000820687927 647895374 /nfs/dbraw/zinc/89/53/74/647895374.db2.gz FJRWHOCWEPLKII-PHIMTYICSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000820687927 647895376 /nfs/dbraw/zinc/89/53/76/647895376.db2.gz FJRWHOCWEPLKII-PHIMTYICSA-N 1 1 323.418 2.481 20 5 DEBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154121161 647899328 /nfs/dbraw/zinc/89/93/28/647899328.db2.gz IIAJXOBYDUPKBD-JTQLQIEISA-N 1 1 311.769 2.336 20 5 DEBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc2ccccn21 ZINC000917082670 647964079 /nfs/dbraw/zinc/96/40/79/647964079.db2.gz XBAMRMSVGCMPTC-RYUDHWBXSA-N 1 1 301.350 2.281 20 5 DEBDMO C[C@@H]1CC[NH2+][C@@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC000822862417 648305905 /nfs/dbraw/zinc/30/59/05/648305905.db2.gz ISEQZRBGHJQNKK-BXKDBHETSA-N 1 1 303.322 2.024 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000827371887 649024871 /nfs/dbraw/zinc/02/48/71/649024871.db2.gz AAKWGGREATWJMF-ULJGCTHBSA-N 1 1 315.373 2.161 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000827898844 649101593 /nfs/dbraw/zinc/10/15/93/649101593.db2.gz UQRJUMMERQYTPJ-NSHDSACASA-N 1 1 309.341 2.148 20 5 DEBDMO C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000829019304 649261105 /nfs/dbraw/zinc/26/11/05/649261105.db2.gz DSFKKVAIYJWKRO-PHIMTYICSA-N 1 1 313.785 2.140 20 5 DEBDMO C[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000830733578 649488576 /nfs/dbraw/zinc/48/85/76/649488576.db2.gz AOPYKFQENZVFJK-SWLSCSKDSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000830733578 649488579 /nfs/dbraw/zinc/48/85/79/649488579.db2.gz AOPYKFQENZVFJK-SWLSCSKDSA-N 1 1 306.362 2.272 20 5 DEBDMO COC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000832744087 649740737 /nfs/dbraw/zinc/74/07/37/649740737.db2.gz BHQSNTKQXIHXAZ-CJNGLKHVSA-N 1 1 308.378 2.377 20 5 DEBDMO O=C(CC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000844456784 651131520 /nfs/dbraw/zinc/13/15/20/651131520.db2.gz SNWRFWVEGNPMIT-TXEJJXNPSA-N 1 1 311.288 2.120 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(CO[NH+]=C(N)[C@H]2C[C@H]2C)c1 ZINC000848522845 651466574 /nfs/dbraw/zinc/46/65/74/651466574.db2.gz YJSBJIDESUGFIX-KCJUWKMLSA-N 1 1 307.306 2.036 20 5 DEBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000848528675 651467792 /nfs/dbraw/zinc/46/77/92/651467792.db2.gz OEMUXMYZBSJZRC-IOASZLSFSA-N 1 1 317.389 2.035 20 5 DEBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000848528675 651467794 /nfs/dbraw/zinc/46/77/94/651467794.db2.gz OEMUXMYZBSJZRC-IOASZLSFSA-N 1 1 317.389 2.035 20 5 DEBDMO C[C@H]1C[NH+](CCN2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H](C)O1 ZINC000851869345 652266056 /nfs/dbraw/zinc/26/60/56/652266056.db2.gz DQMAZEWHRLDKEO-KBPBESRZSA-N 1 1 319.405 2.062 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](C2CC2)C2(CO)CCC2)c1 ZINC000852159439 652354986 /nfs/dbraw/zinc/35/49/86/652354986.db2.gz YEHIPJXEVJRFLN-OAHLLOKOSA-N 1 1 306.362 2.008 20 5 DEBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852424469 652399575 /nfs/dbraw/zinc/39/95/75/652399575.db2.gz CVUHQOBZKGUJPC-UHOFOFEASA-N 1 1 308.378 2.111 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000853747475 652598055 /nfs/dbraw/zinc/59/80/55/652598055.db2.gz RRUYRBKIBZNEKL-VIFPVBQESA-N 1 1 305.338 2.416 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000853747474 652598292 /nfs/dbraw/zinc/59/82/92/652598292.db2.gz RRUYRBKIBZNEKL-SECBINFHSA-N 1 1 305.338 2.416 20 5 DEBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000928436089 693778596 /nfs/dbraw/zinc/77/85/96/693778596.db2.gz IMMXTCZJGGNPDS-ONGXEEELSA-N 1 1 309.391 2.139 20 5 DEBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000859284622 685698319 /nfs/dbraw/zinc/69/83/19/685698319.db2.gz MKHAWHVMRWXGKK-LLVKDONJSA-N 1 1 323.780 2.462 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Cl)C[C@@H]21 ZINC000861901868 686203245 /nfs/dbraw/zinc/20/32/45/686203245.db2.gz CUIIWZQJMOTDSO-SKDRFNHKSA-N 1 1 309.753 2.024 20 5 DEBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000864886033 686875723 /nfs/dbraw/zinc/87/57/23/686875723.db2.gz XKPAWIXYEZNFQU-UONOGXRCSA-N 1 1 321.352 2.019 20 5 DEBDMO O=[N+]([O-])c1cc(CO)c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1F ZINC000865445394 687214254 /nfs/dbraw/zinc/21/42/54/687214254.db2.gz MEWPKDHQZCTEDF-OCCSQVGLSA-N 1 1 309.341 2.265 20 5 DEBDMO O=[N+]([O-])c1cc(CO)c(N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1F ZINC000865445393 687214417 /nfs/dbraw/zinc/21/44/17/687214417.db2.gz MEWPKDHQZCTEDF-JSGCOSHPSA-N 1 1 309.341 2.265 20 5 DEBDMO C[C@@H]1C[C@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000866050657 687424162 /nfs/dbraw/zinc/42/41/62/687424162.db2.gz YJUGQMDEORBYAP-DGCLKSJQSA-N 1 1 323.368 2.218 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000866206944 687491648 /nfs/dbraw/zinc/49/16/48/687491648.db2.gz GUOQGMGOEZVIJH-YGRLFVJLSA-N 1 1 301.350 2.002 20 5 DEBDMO COc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000866205808 687491820 /nfs/dbraw/zinc/49/18/20/687491820.db2.gz AMARSMTZAZVZTI-CMPLNLGQSA-N 1 1 309.341 2.273 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868217194 687950381 /nfs/dbraw/zinc/95/03/81/687950381.db2.gz POCGVFMWFIJEAA-ZDUSSCGKSA-N 1 1 322.409 2.433 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000930493063 694174863 /nfs/dbraw/zinc/17/48/63/694174863.db2.gz LMQRSZHOKRPTKY-HNNXBMFYSA-N 1 1 305.378 2.126 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC1(C)C ZINC000871153793 688736414 /nfs/dbraw/zinc/73/64/14/688736414.db2.gz LWKWVKASTYQZNK-UHFFFAOYSA-N 1 1 309.341 2.290 20 5 DEBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)C1CC=CC1 ZINC001031590151 688957542 /nfs/dbraw/zinc/95/75/42/688957542.db2.gz XSKVTSBKVCIEBO-UHFFFAOYSA-N 1 1 315.373 2.109 20 5 DEBDMO C[N@H+]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CCC1(C)C ZINC000872694825 689067021 /nfs/dbraw/zinc/06/70/21/689067021.db2.gz PGAVJJFHAKDSJI-UHFFFAOYSA-N 1 1 317.393 2.318 20 5 DEBDMO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@@H+](CC[N+](=O)[O-])[C@H]1C ZINC000930901535 694266916 /nfs/dbraw/zinc/26/69/16/694266916.db2.gz GZMYHWNXVUCPMT-FRRDWIJNSA-N 1 1 315.414 2.277 20 5 DEBDMO Cc1c(CC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874834459 689509266 /nfs/dbraw/zinc/50/92/66/689509266.db2.gz SDAGNRIHXZKPOO-HZPDHXFCSA-N 1 1 317.389 2.141 20 5 DEBDMO CCc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874838056 689511149 /nfs/dbraw/zinc/51/11/49/689511149.db2.gz MHPKYMOHCHXOOY-CABCVRRESA-N 1 1 317.389 2.466 20 5 DEBDMO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000876764803 689930315 /nfs/dbraw/zinc/93/03/15/689930315.db2.gz RRTNYEBIAMHJPN-HNNXBMFYSA-N 1 1 318.377 2.192 20 5 DEBDMO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000876764803 689930316 /nfs/dbraw/zinc/93/03/16/689930316.db2.gz RRTNYEBIAMHJPN-HNNXBMFYSA-N 1 1 318.377 2.192 20 5 DEBDMO COCCO[C@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877460233 690119722 /nfs/dbraw/zinc/11/97/22/690119722.db2.gz RKRHXIHWLLGENE-AWEZNQCLSA-N 1 1 308.378 2.449 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931235717 694346025 /nfs/dbraw/zinc/34/60/25/694346025.db2.gz GATAEJUAFIQNMO-LSDHHAIUSA-N 1 1 314.345 2.020 20 5 DEBDMO Cc1c(F)nccc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000877691149 690192430 /nfs/dbraw/zinc/19/24/30/690192430.db2.gz IXSGAKXDUCHDFR-MRXNPFEDSA-N 1 1 319.336 2.435 20 5 DEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000931297544 694359997 /nfs/dbraw/zinc/35/99/97/694359997.db2.gz KLVYWUGWYLNLCK-CABZTGNLSA-N 1 1 324.768 2.416 20 5 DEBDMO CO[C@@H](C)C[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878613502 690455974 /nfs/dbraw/zinc/45/59/74/690455974.db2.gz PBFFKQIXCKHZOV-JTQLQIEISA-N 1 1 306.322 2.112 20 5 DEBDMO CO[C@@H](C)C[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878613502 690455977 /nfs/dbraw/zinc/45/59/77/690455977.db2.gz PBFFKQIXCKHZOV-JTQLQIEISA-N 1 1 306.322 2.112 20 5 DEBDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000879133082 690575430 /nfs/dbraw/zinc/57/54/30/690575430.db2.gz LPCBHPGFRSNBTL-BONVTDFDSA-N 1 1 310.325 2.365 20 5 DEBDMO CO[C@H]1CC[C@@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879323373 690619238 /nfs/dbraw/zinc/61/92/38/690619238.db2.gz PEWZEBOINOYAAB-DOMZBBRYSA-N 1 1 321.377 2.057 20 5 DEBDMO CO[C@H]1CC[C@@H](C)[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879323373 690619241 /nfs/dbraw/zinc/61/92/41/690619241.db2.gz PEWZEBOINOYAAB-DOMZBBRYSA-N 1 1 321.377 2.057 20 5 DEBDMO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879528807 690663478 /nfs/dbraw/zinc/66/34/78/690663478.db2.gz BIWQFHHIBZRVGR-BETUJISGSA-N 1 1 301.346 2.092 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879569798 690675042 /nfs/dbraw/zinc/67/50/42/690675042.db2.gz BQMACLZMKRSQET-RHSMWYFYSA-N 1 1 319.405 2.390 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879583736 690680912 /nfs/dbraw/zinc/68/09/12/690680912.db2.gz ZPRYLQAPCLPGFX-IUODEOHRSA-N 1 1 305.378 2.129 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879621287 690691415 /nfs/dbraw/zinc/69/14/15/690691415.db2.gz VLBUPYZXPBLFPZ-FZMZJTMJSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879621287 690691418 /nfs/dbraw/zinc/69/14/18/690691418.db2.gz VLBUPYZXPBLFPZ-FZMZJTMJSA-N 1 1 321.377 2.015 20 5 DEBDMO Cc1cncc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000879748338 690720269 /nfs/dbraw/zinc/72/02/69/690720269.db2.gz BVNFIAXBNHGRBX-AWEZNQCLSA-N 1 1 301.350 2.332 20 5 DEBDMO CC(C)(O)[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879963096 690767864 /nfs/dbraw/zinc/76/78/64/690767864.db2.gz FTEYIRWLTDPJOI-DZGCQCFKSA-N 1 1 308.378 2.111 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880136307 690816279 /nfs/dbraw/zinc/81/62/79/690816279.db2.gz JRLJNTNFEWJYAS-GJZGRUSLSA-N 1 1 305.378 2.272 20 5 DEBDMO CC(C)(O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000880145295 690821857 /nfs/dbraw/zinc/82/18/57/690821857.db2.gz MXFCMKQPIIETBD-LBPRGKRZSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000931457113 694401250 /nfs/dbraw/zinc/40/12/50/694401250.db2.gz VHIBMPHODSOYBB-LLVKDONJSA-N 1 1 302.334 2.316 20 5 DEBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000931457113 694401253 /nfs/dbraw/zinc/40/12/53/694401253.db2.gz VHIBMPHODSOYBB-LLVKDONJSA-N 1 1 302.334 2.316 20 5 DEBDMO O=C1[C@H]([N@@H+]2CCC[C@H](CF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880233925 690846934 /nfs/dbraw/zinc/84/69/34/690846934.db2.gz BDHMDYNGCGNKMX-IUODEOHRSA-N 1 1 321.352 2.382 20 5 DEBDMO O=C1[C@H]([N@H+]2CCC[C@H](CF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880233925 690846936 /nfs/dbraw/zinc/84/69/36/690846936.db2.gz BDHMDYNGCGNKMX-IUODEOHRSA-N 1 1 321.352 2.382 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](CF)C1 ZINC000880237161 690847091 /nfs/dbraw/zinc/84/70/91/690847091.db2.gz RPXMGGSZVOTCOJ-OLZOCXBDSA-N 1 1 312.341 2.016 20 5 DEBDMO CCOc1cc(C[N@@H+](C)[C@@H]2CCOC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000880437520 690898124 /nfs/dbraw/zinc/89/81/24/690898124.db2.gz MCRMFNNBXLCQNL-CJNGLKHVSA-N 1 1 324.377 2.229 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1F ZINC000880581311 690932609 /nfs/dbraw/zinc/93/26/09/690932609.db2.gz AYDRLHYBPXJIFS-ZDUSSCGKSA-N 1 1 324.352 2.097 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000880611012 690941608 /nfs/dbraw/zinc/94/16/08/690941608.db2.gz HBDADMHXUMRUFS-TXEJJXNPSA-N 1 1 323.368 2.218 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000882482047 691291451 /nfs/dbraw/zinc/29/14/51/691291451.db2.gz XGOBGGBDFXVBDA-JTQLQIEISA-N 1 1 309.391 2.141 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931609206 694439326 /nfs/dbraw/zinc/43/93/26/694439326.db2.gz DPROGLUHNBGHKB-JTQLQIEISA-N 1 1 310.329 2.340 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000882960804 691397739 /nfs/dbraw/zinc/39/77/39/691397739.db2.gz WRKQKXKDVGBRFO-GFCCVEGCSA-N 1 1 307.350 2.196 20 5 DEBDMO C[C@@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000883396698 691496915 /nfs/dbraw/zinc/49/69/15/691496915.db2.gz UZVWCSHFRHDUKJ-PWSUYJOCSA-N 1 1 321.352 2.395 20 5 DEBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CCC2CCCC2)CC1 ZINC001045437656 691980770 /nfs/dbraw/zinc/98/07/70/691980770.db2.gz XGMPHSIDURDEJW-HUUCEWRRSA-N 1 1 323.437 2.203 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886561951 692110507 /nfs/dbraw/zinc/11/05/07/692110507.db2.gz NJLWTPCUKQUBPD-TXEJJXNPSA-N 1 1 321.402 2.137 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)n1 ZINC000886613670 692133137 /nfs/dbraw/zinc/13/31/37/692133137.db2.gz AZIKOFXVXXHFEO-JQWIXIFHSA-N 1 1 318.299 2.456 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931919133 694506318 /nfs/dbraw/zinc/50/63/18/694506318.db2.gz NJWOTROYBBTNMS-JTQLQIEISA-N 1 1 322.262 2.158 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1 ZINC000886793135 692192316 /nfs/dbraw/zinc/19/23/16/692192316.db2.gz BHOLLDBQXBXPLO-GFCCVEGCSA-N 1 1 304.268 2.342 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1 ZINC000886793135 692192320 /nfs/dbraw/zinc/19/23/20/692192320.db2.gz BHOLLDBQXBXPLO-GFCCVEGCSA-N 1 1 304.268 2.342 20 5 DEBDMO C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887402456 692356184 /nfs/dbraw/zinc/35/61/84/692356184.db2.gz CGAHFCDMTDMZNJ-WFASDCNBSA-N 1 1 305.378 2.299 20 5 DEBDMO C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000887927685 692481629 /nfs/dbraw/zinc/48/16/29/692481629.db2.gz DVVPHDOJEDEHFG-HACGYAERSA-N 1 1 317.389 2.108 20 5 DEBDMO C[C@@]1([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)COC(=O)N1 ZINC000932026455 694530822 /nfs/dbraw/zinc/53/08/22/694530822.db2.gz LNAKUZWVJNGLHS-BBRMVZONSA-N 1 1 319.361 2.305 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000932308808 694590509 /nfs/dbraw/zinc/59/05/09/694590509.db2.gz BGYLHUFRVXJSGL-NSHDSACASA-N 1 1 323.418 2.388 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000932339699 694596090 /nfs/dbraw/zinc/59/60/90/694596090.db2.gz ZTIMBIRUOPDKSF-GFCCVEGCSA-N 1 1 307.350 2.034 20 5 DEBDMO C[C@H]1COC[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000932488983 694624437 /nfs/dbraw/zinc/62/44/37/694624437.db2.gz OCSBFTLALASDOW-GZMMTYOYSA-N 1 1 315.167 2.482 20 5 DEBDMO C[C@@H]1COC[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000932488984 694624680 /nfs/dbraw/zinc/62/46/80/694624680.db2.gz OCSBFTLALASDOW-KCJUWKMLSA-N 1 1 315.167 2.482 20 5 DEBDMO C[C@@H](NC(=O)[C@H]1[NH2+]CCc2occc21)c1cccc([N+](=O)[O-])c1 ZINC001343148233 1150696303 /nfs/dbraw/zinc/69/63/03/1150696303.db2.gz MVRBCENIMPMBDR-BMIGLBTASA-N 1 1 315.329 2.252 20 5 DEBDMO COc1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001345843158 1150920505 /nfs/dbraw/zinc/92/05/05/1150920505.db2.gz WTWIVKZFSMZPCZ-GFCCVEGCSA-N 1 1 322.365 2.209 20 5 DEBDMO CC1(C)OC[C@H](CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC001347104378 1151042318 /nfs/dbraw/zinc/04/23/18/1151042318.db2.gz MKACXJURFBMWPU-HNNXBMFYSA-N 1 1 306.362 2.495 20 5 DEBDMO CCN(C(=O)Nc1cc(C)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC001350263108 1151339160 /nfs/dbraw/zinc/33/91/60/1151339160.db2.gz VGSJLZDUTZTWCT-CYBMUJFWSA-N 1 1 306.366 2.461 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001353893479 1151860801 /nfs/dbraw/zinc/86/08/01/1151860801.db2.gz KPZVABWHGUCQQL-HNNXBMFYSA-N 1 1 319.405 2.473 20 5 DEBDMO C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC001354200900 1151876863 /nfs/dbraw/zinc/87/68/63/1151876863.db2.gz BVFZQAJWGRPFBU-CHWSQXEVSA-N 1 1 320.393 2.439 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001347603284 1151082976 /nfs/dbraw/zinc/08/29/76/1151082976.db2.gz RQCTYPZUSNMRBT-ZWKOPEQDSA-N 1 1 323.780 2.318 20 5 DEBDMO C[N@H+]1CC[C@H](Nc2nc3cc([N+](=O)[O-])ccc3nc2Cl)C1 ZINC001167273076 776816294 /nfs/dbraw/zinc/81/62/94/776816294.db2.gz PDRSKOLPRDKLHK-QMMMGPOBSA-N 1 1 307.741 2.307 20 5 DEBDMO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000724888126 777512228 /nfs/dbraw/zinc/51/22/28/777512228.db2.gz WZZMYWGZUJWTMK-CHWSQXEVSA-N 1 1 300.742 2.142 20 5 DEBDMO CSCC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC(C)C ZINC001168993319 784995613 /nfs/dbraw/zinc/99/56/13/784995613.db2.gz MPPJJJPLVITADC-XQQFMLRXSA-N 1 1 318.439 2.095 20 5 DEBDMO N[C@H]([C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)C(F)(F)F ZINC001169003027 784999335 /nfs/dbraw/zinc/99/93/35/784999335.db2.gz MMNJHJHAAWGBSG-IRCOFANPSA-N 1 1 309.332 2.033 20 5 DEBDMO CN(C)CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007420 785000831 /nfs/dbraw/zinc/00/08/31/785000831.db2.gz NPQKHFCIMUZIJD-SJORKVTESA-N 1 1 305.422 2.496 20 5 DEBDMO C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008273 785001465 /nfs/dbraw/zinc/00/14/65/785001465.db2.gz SMEJWKWMCJEUSL-TZMCWYRMSA-N 1 1 306.362 2.335 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3nc(C4CC4)ncc3C2)C1 ZINC001169038692 785012779 /nfs/dbraw/zinc/01/27/79/785012779.db2.gz KFIZFJJVIHETBY-SMDDNHRTSA-N 1 1 302.378 2.158 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCN(c3cccnc3)CC2)C1 ZINC001169046789 785020413 /nfs/dbraw/zinc/02/04/13/785020413.db2.gz NAWGKRNXQDRSTI-CABCVRRESA-N 1 1 304.394 2.039 20 5 DEBDMO Cc1cccnc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169048650 785021993 /nfs/dbraw/zinc/02/19/93/785021993.db2.gz AHOPJVRRUQCQOT-RBSFLKMASA-N 1 1 305.378 2.289 20 5 DEBDMO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047446 785022063 /nfs/dbraw/zinc/02/20/63/785022063.db2.gz RABUQNOTMOEFEC-HZSPNIEDSA-N 1 1 312.410 2.486 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3cnc(C4CC4)nc3C2)C1 ZINC001169051313 785022562 /nfs/dbraw/zinc/02/25/62/785022562.db2.gz DBRAWZMVZYQMAL-RISCZKNCSA-N 1 1 302.378 2.158 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051941 785023006 /nfs/dbraw/zinc/02/30/06/785023006.db2.gz DPJGTFKWUHYOOT-LVQVYYBASA-N 1 1 313.417 2.330 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051941 785023010 /nfs/dbraw/zinc/02/30/10/785023010.db2.gz DPJGTFKWUHYOOT-LVQVYYBASA-N 1 1 313.417 2.330 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCCC23COC3)c([N+](=O)[O-])c1 ZINC001170344583 786928904 /nfs/dbraw/zinc/92/89/04/786928904.db2.gz CJUBWXVJCSAZPI-GFCCVEGCSA-N 1 1 306.362 2.399 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCC23COC3)c([N+](=O)[O-])c1 ZINC001170344583 786928911 /nfs/dbraw/zinc/92/89/11/786928911.db2.gz CJUBWXVJCSAZPI-GFCCVEGCSA-N 1 1 306.362 2.399 20 5 DEBDMO CCOc1nc(N2CC[N@@H+](C)CC23CCCC3)ccc1[N+](=O)[O-] ZINC001158410193 787657478 /nfs/dbraw/zinc/65/74/78/787657478.db2.gz NJRPSUHYWLWVKF-UHFFFAOYSA-N 1 1 320.393 2.453 20 5 DEBDMO NC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904758 793524192 /nfs/dbraw/zinc/52/41/92/793524192.db2.gz AGJYISKHLWGFSY-HUUCEWRRSA-N 1 1 317.389 2.040 20 5 DEBDMO COC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914192 793530817 /nfs/dbraw/zinc/53/08/17/793530817.db2.gz DVIVPCZWUGGMQJ-SMDDNHRTSA-N 1 1 306.362 2.336 20 5 DEBDMO CN(C)C1(C)C[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172916507 793531153 /nfs/dbraw/zinc/53/11/53/793531153.db2.gz SPGGAOMXWVOZGQ-OAHLLOKOSA-N 1 1 303.406 2.478 20 5 DEBDMO CC[N@@H+](CCC(N)=O)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172916986 793531199 /nfs/dbraw/zinc/53/11/99/793531199.db2.gz VEWNFPAEWQTOOW-CQSZACIVSA-N 1 1 305.378 2.040 20 5 DEBDMO COC[C@@H]1CC[N@@H+]1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192432 793623008 /nfs/dbraw/zinc/62/30/08/793623008.db2.gz IAVUONXNMHXOJI-MNOVXSKESA-N 1 1 312.341 2.394 20 5 DEBDMO COC[C@@H]1CC[N@H+]1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192432 793623013 /nfs/dbraw/zinc/62/30/13/793623013.db2.gz IAVUONXNMHXOJI-MNOVXSKESA-N 1 1 312.341 2.394 20 5 DEBDMO CCOC(=O)[C@H]1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173226148 793642745 /nfs/dbraw/zinc/64/27/45/793642745.db2.gz HYFZQNMPKJPLAI-JSGCOSHPSA-N 1 1 306.362 2.411 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001173226669 793642912 /nfs/dbraw/zinc/64/29/12/793642912.db2.gz ROBNPDKQCLMTHQ-DYVFJYSZSA-N 1 1 317.389 2.128 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001173232403 793644039 /nfs/dbraw/zinc/64/40/39/793644039.db2.gz QZPTZOBUVPURHL-CJNGLKHVSA-N 1 1 315.377 2.454 20 5 DEBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccnn1C ZINC001175531171 794231991 /nfs/dbraw/zinc/23/19/91/794231991.db2.gz HMPORUKULMXIMP-VIFPVBQESA-N 1 1 300.322 2.055 20 5 DEBDMO Cn1ccc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC001176885811 794522453 /nfs/dbraw/zinc/52/24/53/794522453.db2.gz DUFJZYCKPRUTMN-UHFFFAOYSA-N 1 1 304.350 2.229 20 5 DEBDMO Cn1ccc(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC001176885811 794522458 /nfs/dbraw/zinc/52/24/58/794522458.db2.gz DUFJZYCKPRUTMN-UHFFFAOYSA-N 1 1 304.350 2.229 20 5 DEBDMO CCc1ncc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC001178669080 794967947 /nfs/dbraw/zinc/96/79/47/794967947.db2.gz CKWYRBCLXJEASN-SECBINFHSA-N 1 1 320.324 2.439 20 5 DEBDMO Cc1[nH+]ccn1-c1ncccc1CNc1c(C)cncc1[N+](=O)[O-] ZINC001117687095 795096021 /nfs/dbraw/zinc/09/60/21/795096021.db2.gz JJMGVVGTSUZKDC-UHFFFAOYSA-N 1 1 324.344 2.221 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC001118735722 795220926 /nfs/dbraw/zinc/22/09/26/795220926.db2.gz MGTOACHRZBBVHZ-GFCCVEGCSA-N 1 1 309.341 2.256 20 5 DEBDMO C[C@@H](C[NH+]1CCC(C)CC1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120573310 795488302 /nfs/dbraw/zinc/48/83/02/795488302.db2.gz CAULDPOFCGPFSK-YOEHRIQHSA-N 1 1 321.421 2.338 20 5 DEBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1C[C@@H]1F ZINC001122952140 795826527 /nfs/dbraw/zinc/82/65/27/795826527.db2.gz LEKHKQNAGMOKSP-IHRRRGAJSA-N 1 1 308.309 2.070 20 5 DEBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1C[C@@H]1F ZINC001122952140 795826531 /nfs/dbraw/zinc/82/65/31/795826531.db2.gz LEKHKQNAGMOKSP-IHRRRGAJSA-N 1 1 308.309 2.070 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(NCC2(N(C)C)CC[NH+](C)CC2)n1 ZINC001156182645 797941394 /nfs/dbraw/zinc/94/13/94/797941394.db2.gz ZQJJIQVTECUGSC-UHFFFAOYSA-N 1 1 321.425 2.045 20 5 DEBDMO O=C(CCCF)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001196799863 798106623 /nfs/dbraw/zinc/10/66/23/798106623.db2.gz XJWACXSLIWFWKZ-UHFFFAOYSA-N 1 1 323.368 2.379 20 5 DEBDMO O=C(CCCF)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001196799863 798106625 /nfs/dbraw/zinc/10/66/25/798106625.db2.gz XJWACXSLIWFWKZ-UHFFFAOYSA-N 1 1 323.368 2.379 20 5 DEBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)n1 ZINC001157264316 798171994 /nfs/dbraw/zinc/17/19/94/798171994.db2.gz FCXDKAYKFBNIIB-PWSUYJOCSA-N 1 1 310.785 2.482 20 5 DEBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@H+]2CC[C@H]2C1 ZINC001158423756 798405906 /nfs/dbraw/zinc/40/59/06/798405906.db2.gz NDDSVYAVAXYJQD-ZETCQYMHSA-N 1 1 303.149 2.191 20 5 DEBDMO CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160107312 798648218 /nfs/dbraw/zinc/64/82/18/798648218.db2.gz MQRVLWOIAKXLKU-HZPDHXFCSA-N 1 1 323.437 2.370 20 5 DEBDMO CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160107312 798648224 /nfs/dbraw/zinc/64/82/24/798648224.db2.gz MQRVLWOIAKXLKU-HZPDHXFCSA-N 1 1 323.437 2.370 20 5 DEBDMO CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160107312 798648229 /nfs/dbraw/zinc/64/82/29/798648229.db2.gz MQRVLWOIAKXLKU-HZPDHXFCSA-N 1 1 323.437 2.370 20 5 DEBDMO Cc1c(C)c(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC001160725832 798729678 /nfs/dbraw/zinc/72/96/78/798729678.db2.gz QUUAPIZRGNVUDD-KGLIPLIRSA-N 1 1 320.393 2.272 20 5 DEBDMO [NH3+]CCc1cn(-c2cc(Cl)cc([N+](=O)[O-])n2)c2ccncc12 ZINC001160946284 798768061 /nfs/dbraw/zinc/76/80/61/798768061.db2.gz ZGFANXMNNKDSBF-UHFFFAOYSA-N 1 1 317.736 2.483 20 5 DEBDMO C[N@H+]1CCC[C@@](C)(Nc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001162341378 799066370 /nfs/dbraw/zinc/06/63/70/799066370.db2.gz LVDUBJCJBYIOBW-OAHLLOKOSA-N 1 1 301.350 2.434 20 5 DEBDMO [NH3+][C@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)CCC1(F)F ZINC001164319589 799570662 /nfs/dbraw/zinc/57/06/62/799570662.db2.gz KHEZVJXREWAUEH-LBPRGKRZSA-N 1 1 308.288 2.316 20 5 DEBDMO COc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1C ZINC000932569267 799846041 /nfs/dbraw/zinc/84/60/41/799846041.db2.gz UUGAMOFENDFEAI-NSHDSACASA-N 1 1 304.350 2.496 20 5 DEBDMO Cc1c(C[N@H+]2CCCCCNC(=O)CC2)cccc1[N+](=O)[O-] ZINC000934161704 800277347 /nfs/dbraw/zinc/27/73/47/800277347.db2.gz DCFZTSNXMHOSFU-UHFFFAOYSA-N 1 1 305.378 2.395 20 5 DEBDMO Cc1noc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1[N+](=O)[O-] ZINC000934331359 800325665 /nfs/dbraw/zinc/32/56/65/800325665.db2.gz LDCYLHXRANPZAR-JTQLQIEISA-N 1 1 308.363 2.412 20 5 DEBDMO Cc1noc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1[N+](=O)[O-] ZINC000934331359 800325671 /nfs/dbraw/zinc/32/56/71/800325671.db2.gz LDCYLHXRANPZAR-JTQLQIEISA-N 1 1 308.363 2.412 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000935189713 800589202 /nfs/dbraw/zinc/58/92/02/800589202.db2.gz LPAQDQSSWDXPPK-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000935189713 800589208 /nfs/dbraw/zinc/58/92/08/800589208.db2.gz LPAQDQSSWDXPPK-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO Cc1c(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cccc1[N+](=O)[O-] ZINC000935611652 800712039 /nfs/dbraw/zinc/71/20/39/800712039.db2.gz ICTGXKYZXUNKFF-HNNXBMFYSA-N 1 1 305.378 2.392 20 5 DEBDMO CC(C)(C)[NH+]1CC(Oc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229400293 801271040 /nfs/dbraw/zinc/27/10/40/801271040.db2.gz TZXYNGLZFUELKI-UHFFFAOYSA-N 1 1 302.334 2.400 20 5 DEBDMO Cc1cc(=O)oc2c1ccc(O[C@@H]1CCC[N@H+](C)C1)c2[N+](=O)[O-] ZINC001229941916 801339626 /nfs/dbraw/zinc/33/96/26/801339626.db2.gz DSUMMAYPUCTXIY-LLVKDONJSA-N 1 1 318.329 2.483 20 5 DEBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@H]1CCc2[nH+]ccn2C1 ZINC001230315002 801385604 /nfs/dbraw/zinc/38/56/04/801385604.db2.gz JFCIGCDOEDVSCR-VIFPVBQESA-N 1 1 304.262 2.093 20 5 DEBDMO C[N@@H+](CCCNC(=O)C(C)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001231160248 801595913 /nfs/dbraw/zinc/59/59/13/801595913.db2.gz HMDSNZXPNQCZHY-UHFFFAOYSA-N 1 1 315.320 2.188 20 5 DEBDMO C[N@H+](CCCNC(=O)c1ccc[nH]1)Cc1csc([N+](=O)[O-])c1 ZINC001233874254 802231869 /nfs/dbraw/zinc/23/18/69/802231869.db2.gz QWQVZGIUYLWFOT-UHFFFAOYSA-N 1 1 322.390 2.236 20 5 DEBDMO C[N@@H+](CCCNC(=O)c1ccc[nH]1)Cc1csc([N+](=O)[O-])c1 ZINC001233874254 802231873 /nfs/dbraw/zinc/23/18/73/802231873.db2.gz QWQVZGIUYLWFOT-UHFFFAOYSA-N 1 1 322.390 2.236 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001225601484 802989654 /nfs/dbraw/zinc/98/96/54/802989654.db2.gz PGVYLIIDVFFTCN-CYBMUJFWSA-N 1 1 307.306 2.284 20 5 DEBDMO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001225888375 803025672 /nfs/dbraw/zinc/02/56/72/803025672.db2.gz AMXRAIQXEJVAIF-GFCCVEGCSA-N 1 1 311.269 2.115 20 5 DEBDMO CC(=O)c1ccc(O[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001226294884 803084331 /nfs/dbraw/zinc/08/43/31/803084331.db2.gz NFVGCCKRPWJQRQ-GFCCVEGCSA-N 1 1 301.302 2.388 20 5 DEBDMO CC[N@@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC001226340538 803093582 /nfs/dbraw/zinc/09/35/82/803093582.db2.gz ZRYGTLIDNRLLQE-VIFPVBQESA-N 1 1 316.155 2.225 20 5 DEBDMO CC[N@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC001226340538 803093584 /nfs/dbraw/zinc/09/35/84/803093584.db2.gz ZRYGTLIDNRLLQE-VIFPVBQESA-N 1 1 316.155 2.225 20 5 DEBDMO O=[N+]([O-])c1ccc2nc(O[C@H]3CCc4[nH+]ccn4C3)oc2c1 ZINC001227233206 803219386 /nfs/dbraw/zinc/21/93/86/803219386.db2.gz ZFNFJYBJCNSWDP-JTQLQIEISA-N 1 1 300.274 2.326 20 5 DEBDMO C[N@H+]1CCC[C@H](Oc2ccc(Br)nc2[N+](=O)[O-])C1 ZINC001227257421 803223250 /nfs/dbraw/zinc/22/32/50/803223250.db2.gz YRWIMMSGZHBGHE-QMMMGPOBSA-N 1 1 316.155 2.225 20 5 DEBDMO COC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC001227893693 803292229 /nfs/dbraw/zinc/29/22/29/803292229.db2.gz HEDLAMCIOHVTFX-ZSBIGDGJSA-N 1 1 320.345 2.385 20 5 DEBDMO C[C@@H](C[NH+]1CCOCC1)Oc1ccc([N+](=O)[O-])c2cccnc12 ZINC001228133778 803322955 /nfs/dbraw/zinc/32/29/55/803322955.db2.gz AHLJCUZKMXLDHY-LBPRGKRZSA-N 1 1 317.345 2.243 20 5 DEBDMO CC[N@H+]1CC[C@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228801876 803416137 /nfs/dbraw/zinc/41/61/37/803416137.db2.gz BBVKPNAGCYETTQ-JTQLQIEISA-N 1 1 304.302 2.174 20 5 DEBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001331273759 1149408415 /nfs/dbraw/zinc/40/84/15/1149408415.db2.gz CLROCTMETITQHS-GFCCVEGCSA-N 1 1 322.340 2.436 20 5 DEBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001451477352 1056808154 /nfs/dbraw/zinc/80/81/54/1056808154.db2.gz WHXPLBRFHRUQLX-INIZCTEOSA-N 1 1 311.341 2.382 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001452186062 1057023916 /nfs/dbraw/zinc/02/39/16/1057023916.db2.gz UHXHVZJBLQKRMK-JTQLQIEISA-N 1 1 310.329 2.009 20 5 DEBDMO Cc1ccc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)c(N)c1[N+](=O)[O-] ZINC001456751690 1057903401 /nfs/dbraw/zinc/90/34/01/1057903401.db2.gz RYODRPLWNLIJAX-CYBMUJFWSA-N 1 1 318.377 2.441 20 5 DEBDMO Cc1ccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)c(N)c1[N+](=O)[O-] ZINC001456751690 1057903404 /nfs/dbraw/zinc/90/34/04/1057903404.db2.gz RYODRPLWNLIJAX-CYBMUJFWSA-N 1 1 318.377 2.441 20 5 DEBDMO C/C=C(/C)C(=O)NCC[N@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC001567329275 1064146395 /nfs/dbraw/zinc/14/63/95/1064146395.db2.gz AKRBNCDIYKIKNF-PQMHYQBVSA-N 1 1 305.378 2.499 20 5 DEBDMO O=C(CCCF)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001569412592 1065495211 /nfs/dbraw/zinc/49/52/11/1065495211.db2.gz MOKXCPVEGCTGTM-UHFFFAOYSA-N 1 1 315.370 2.144 20 5 DEBDMO CC(C)(NC(=O)c1cnc(C[NH3+])s1)c1ccc([N+](=O)[O-])cc1 ZINC001575380486 1066284041 /nfs/dbraw/zinc/28/40/41/1066284041.db2.gz LZZFZQMJXXUWTH-UHFFFAOYSA-N 1 1 320.374 2.175 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC001637786106 1078532738 /nfs/dbraw/zinc/53/27/38/1078532738.db2.gz WXQYELBTQACSLV-HNNXBMFYSA-N 1 1 319.405 2.374 20 5 DEBDMO Cc1[nH]c(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001638893312 1078586546 /nfs/dbraw/zinc/58/65/46/1078586546.db2.gz ULFNQPRJCRVCIU-ZIAGYGMSSA-N 1 1 314.345 2.355 20 5 DEBDMO CCC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC001642744782 1078767315 /nfs/dbraw/zinc/76/73/15/1078767315.db2.gz VOPURFHYCCWNKQ-UHFFFAOYSA-N 1 1 310.350 2.249 20 5 DEBDMO CCC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC001642744782 1078767320 /nfs/dbraw/zinc/76/73/20/1078767320.db2.gz VOPURFHYCCWNKQ-UHFFFAOYSA-N 1 1 310.350 2.249 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001542429102 1072458370 /nfs/dbraw/zinc/45/83/70/1072458370.db2.gz SODHAPGVUASEEM-ZDUSSCGKSA-N 1 1 320.393 2.148 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+](CC)C(C)C ZINC001542946287 1072470672 /nfs/dbraw/zinc/47/06/72/1072470672.db2.gz OREVPSSEZNNMFK-UHFFFAOYSA-N 1 1 323.393 2.454 20 5 DEBDMO CC(C)C1CCC([NH+]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001545217130 1072563733 /nfs/dbraw/zinc/56/37/33/1072563733.db2.gz YJYJFJAYGOBUGB-QDIHITRGSA-N 1 1 323.437 2.011 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC[C@H]21 ZINC001329298495 1148882000 /nfs/dbraw/zinc/88/20/00/1148882000.db2.gz NJSKFHPNHTYRRF-SMDDNHRTSA-N 1 1 302.378 2.093 20 5 DEBDMO O=C(NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC001493337256 1079019185 /nfs/dbraw/zinc/01/91/85/1079019185.db2.gz CTVLZRDDGCSETO-UHFFFAOYSA-N 1 1 303.362 2.085 20 5 DEBDMO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C)cc1C ZINC001559285633 1075118605 /nfs/dbraw/zinc/11/86/05/1075118605.db2.gz VXBRIKRFOVONOL-NSHDSACASA-N 1 1 307.350 2.196 20 5 DEBDMO COc1cc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)sn1 ZINC001560174127 1075133203 /nfs/dbraw/zinc/13/32/03/1075133203.db2.gz VSEGDIXUEHLSKH-ZDUSSCGKSA-N 1 1 323.374 2.225 20 5 DEBDMO COc1cc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)sn1 ZINC001560174127 1075133205 /nfs/dbraw/zinc/13/32/05/1075133205.db2.gz VSEGDIXUEHLSKH-ZDUSSCGKSA-N 1 1 323.374 2.225 20 5 DEBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC001590261351 1076603400 /nfs/dbraw/zinc/60/34/00/1076603400.db2.gz NAAYFRNRXCIJRJ-GHMZBOCLSA-N 1 1 316.365 2.395 20 5 DEBDMO C[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])CC(C)(C)C ZINC001591126381 1076710180 /nfs/dbraw/zinc/71/01/80/1076710180.db2.gz SUPPUKAZNBVQAG-UHFFFAOYSA-N 1 1 304.354 2.253 20 5 DEBDMO COC(=O)Cc1ccc(NCc2[nH]c(C)[nH+]c2C)c([N+](=O)[O-])c1 ZINC001652248656 1079860677 /nfs/dbraw/zinc/86/06/77/1079860677.db2.gz KQHAYXYIQDKCMZ-UHFFFAOYSA-N 1 1 318.333 2.262 20 5 DEBDMO C[N@H+](CC(=O)NCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000068466289 1079931650 /nfs/dbraw/zinc/93/16/50/1079931650.db2.gz PGNCZHCYTAGITJ-UHFFFAOYSA-N 1 1 313.357 2.343 20 5 DEBDMO C[N@@H+](CC(=O)NCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000068466289 1079931658 /nfs/dbraw/zinc/93/16/58/1079931658.db2.gz PGNCZHCYTAGITJ-UHFFFAOYSA-N 1 1 313.357 2.343 20 5 DEBDMO Cc1cccc(C[N@@H+]2CC[C@H](Nc3nn(C)cc3[N+](=O)[O-])C2)c1 ZINC001655724482 1080015474 /nfs/dbraw/zinc/01/54/74/1080015474.db2.gz ZNYGVUADRDHDKN-AWEZNQCLSA-N 1 1 315.377 2.323 20 5 DEBDMO Cn1cc(C[N@@H+]2CCO[C@H](c3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC001656523609 1080099367 /nfs/dbraw/zinc/09/93/67/1080099367.db2.gz 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CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC2(CCC2)C1 ZINC001490325532 1093312165 /nfs/dbraw/zinc/31/21/65/1093312165.db2.gz WFUYHVKMPRMTFU-HUUCEWRRSA-N 1 1 323.437 2.060 20 5 DEBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC2(CCC2)C1 ZINC001490325532 1093312172 /nfs/dbraw/zinc/31/21/72/1093312172.db2.gz WFUYHVKMPRMTFU-HUUCEWRRSA-N 1 1 323.437 2.060 20 5 DEBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC2(CCC2)C1 ZINC001490325532 1093312177 /nfs/dbraw/zinc/31/21/77/1093312177.db2.gz WFUYHVKMPRMTFU-HUUCEWRRSA-N 1 1 323.437 2.060 20 5 DEBDMO Cc1cc(NC(=O)NCc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001319424897 1140569016 /nfs/dbraw/zinc/56/90/16/1140569016.db2.gz HYCAQXDLGJVZOI-UHFFFAOYSA-N 1 1 300.318 2.350 20 5 DEBDMO O=C1O[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC12CCC2 ZINC001320723683 1140898680 /nfs/dbraw/zinc/89/86/80/1140898680.db2.gz TWNYFMPDWXYXPR-HNNXBMFYSA-N 1 1 316.357 2.439 20 5 DEBDMO O=C1O[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC12CCC2 ZINC001320723683 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UTWQLLMJRUDVFB-WFBYXXMGSA-N 1 1 323.780 2.318 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001339262647 1143000695 /nfs/dbraw/zinc/00/06/95/1143000695.db2.gz CGTHAHNTKIMJKE-GFCCVEGCSA-N 1 1 316.361 2.290 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCC[C@H]3CO)CC2)cc1 ZINC001254476372 1143132101 /nfs/dbraw/zinc/13/21/01/1143132101.db2.gz OZFGRXNONGOAHG-KRWDZBQOSA-N 1 1 319.405 2.410 20 5 DEBDMO C[C@@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001254473409 1143133447 /nfs/dbraw/zinc/13/34/47/1143133447.db2.gz DCRXTDNCTOIDRJ-CXAGYDPISA-N 1 1 319.405 2.266 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCOCC34CC4)CC2)cc1 ZINC001254481150 1143134275 /nfs/dbraw/zinc/13/42/75/1143134275.db2.gz UZUTUWZEOBLVOU-UHFFFAOYSA-N 1 1 317.389 2.428 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H](CF)C3)n2)cc1 ZINC001353197190 1151816086 /nfs/dbraw/zinc/81/60/86/1151816086.db2.gz YHGIHRMHBMBLLK-GFCCVEGCSA-N 1 1 319.340 2.492 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC[C@H](CF)C3)n2)cc1 ZINC001353197190 1151816092 /nfs/dbraw/zinc/81/60/92/1151816092.db2.gz YHGIHRMHBMBLLK-GFCCVEGCSA-N 1 1 319.340 2.492 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001254560947 1143249460 /nfs/dbraw/zinc/24/94/60/1143249460.db2.gz IMDDXINLLJZKFN-CXAGYDPISA-N 1 1 317.389 2.128 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001254567369 1143251048 /nfs/dbraw/zinc/25/10/48/1143251048.db2.gz CIPHHARTZUESHS-ZFWWWQNUSA-N 1 1 317.389 2.223 20 5 DEBDMO CC(=O)N1CC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001254565267 1143251440 /nfs/dbraw/zinc/25/14/40/1143251440.db2.gz OAHZXGCOGPIJCE-OLZOCXBDSA-N 1 1 305.378 2.078 20 5 DEBDMO CC(=O)N1CC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001254565267 1143251469 /nfs/dbraw/zinc/25/14/69/1143251469.db2.gz OAHZXGCOGPIJCE-OLZOCXBDSA-N 1 1 305.378 2.078 20 5 DEBDMO COC(=O)[C@@H]1CC[C@@H](C)[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593139 1143271966 /nfs/dbraw/zinc/27/19/66/1143271966.db2.gz JBIPEKWDYWSWGQ-AXAPSJFSSA-N 1 1 318.373 2.336 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC(F)(F)[C@H](CO)C1)C2 ZINC001254597319 1143273324 /nfs/dbraw/zinc/27/33/24/1143273324.db2.gz HEWPHWBOFXRTIK-JSGCOSHPSA-N 1 1 312.316 2.012 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001342868433 1143840468 /nfs/dbraw/zinc/84/04/68/1143840468.db2.gz IPKFRYMKYOXEFI-OAHLLOKOSA-N 1 1 318.377 2.104 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001262376777 1144310482 /nfs/dbraw/zinc/31/04/82/1144310482.db2.gz BSHCRPGATNQHEJ-GFCCVEGCSA-N 1 1 318.377 2.104 20 5 DEBDMO CC(C)[N@H+](C)CCCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001262561770 1144319229 /nfs/dbraw/zinc/31/92/29/1144319229.db2.gz GWAPDCFJQWEDRO-UHFFFAOYSA-N 1 1 322.409 2.243 20 5 DEBDMO CC(C)[N@@H+](C)CCCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001262561770 1144319233 /nfs/dbraw/zinc/31/92/33/1144319233.db2.gz GWAPDCFJQWEDRO-UHFFFAOYSA-N 1 1 322.409 2.243 20 5 DEBDMO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CC[N+](=O)[O-])Cc2ccccc21 ZINC001262570100 1144320248 /nfs/dbraw/zinc/32/02/48/1144320248.db2.gz NFYLBBRTBVNGIW-CYBMUJFWSA-N 1 1 321.377 2.219 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001308159021 1147449887 /nfs/dbraw/zinc/44/98/87/1147449887.db2.gz FZUUJDHTGXWJQR-ZIAGYGMSSA-N 1 1 308.382 2.133 20 5 DEBDMO CC[N@H+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286543044 219044739 /nfs/dbraw/zinc/04/47/39/219044739.db2.gz OHQHTQBWGHZOAP-LLVKDONJSA-N 1 1 311.357 2.269 20 5 DEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000278734446 214364024 /nfs/dbraw/zinc/36/40/24/214364024.db2.gz LETWRYNEDDWGOE-LBPRGKRZSA-N 1 1 323.368 2.423 20 5 DEBDMO CCc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000173496079 282190614 /nfs/dbraw/zinc/19/06/14/282190614.db2.gz ZAFIIEQDSIXGQF-CABCVRRESA-N 1 1 317.389 2.466 20 5 DEBDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444687941 529931055 /nfs/dbraw/zinc/93/10/55/529931055.db2.gz HVWCTMTVBBQXHE-LBPRGKRZSA-N 1 1 304.350 2.472 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000272750230 210154719 /nfs/dbraw/zinc/15/47/19/210154719.db2.gz ODHOMOZYAXUFKP-GFCCVEGCSA-N 1 1 303.362 2.283 20 5 DEBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCC[N@H+]1C ZINC000299594596 529980343 /nfs/dbraw/zinc/98/03/43/529980343.db2.gz WSZNJYAPLWFNSY-ZDUSSCGKSA-N 1 1 311.769 2.301 20 5 DEBDMO C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000330856759 232117392 /nfs/dbraw/zinc/11/73/92/232117392.db2.gz NTGFKTQZNRFTCU-WOPDTQHZSA-N 1 1 323.368 2.388 20 5 DEBDMO C[N@@H+](CCCCCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279699431 215070868 /nfs/dbraw/zinc/07/08/68/215070868.db2.gz IOWNVXYCPYQRKD-UHFFFAOYSA-N 1 1 320.349 2.239 20 5 DEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1ccccc1[N+](=O)[O-] 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310.398 2.317 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000152562682 186085738 /nfs/dbraw/zinc/08/57/38/186085738.db2.gz HUAJJCXQRGEZOX-JTQLQIEISA-N 1 1 311.769 2.320 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173317713 186175982 /nfs/dbraw/zinc/17/59/82/186175982.db2.gz AKJHAHOSLKUPHV-OAHLLOKOSA-N 1 1 319.405 2.374 20 5 DEBDMO CCOc1cc(C[NH+]2CCC(NC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000617196056 363051264 /nfs/dbraw/zinc/05/12/64/363051264.db2.gz HPZKHWRNXFWTOA-UHFFFAOYSA-N 1 1 321.377 2.094 20 5 DEBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000172173959 198052703 /nfs/dbraw/zinc/05/27/03/198052703.db2.gz RJWGXHITIQDUKD-OAHLLOKOSA-N 1 1 321.377 2.059 20 5 DEBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000172173959 198052704 /nfs/dbraw/zinc/05/27/04/198052704.db2.gz RJWGXHITIQDUKD-OAHLLOKOSA-N 1 1 321.377 2.059 20 5 DEBDMO O=C([C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)N1CCCC1 ZINC000287241417 219399738 /nfs/dbraw/zinc/39/97/38/219399738.db2.gz GLCYAMFKLGOSHG-ZDUSSCGKSA-N 1 1 321.352 2.178 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000595508558 358468690 /nfs/dbraw/zinc/46/86/90/358468690.db2.gz YEWYFVGWXPRDTD-HNNXBMFYSA-N 1 1 323.368 2.031 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000595508558 358468693 /nfs/dbraw/zinc/46/86/93/358468693.db2.gz YEWYFVGWXPRDTD-HNNXBMFYSA-N 1 1 323.368 2.031 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000595508558 358468696 /nfs/dbraw/zinc/46/86/96/358468696.db2.gz YEWYFVGWXPRDTD-HNNXBMFYSA-N 1 1 323.368 2.031 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000072859356 191242259 /nfs/dbraw/zinc/24/22/59/191242259.db2.gz WBNPTWXDHAXPFS-AWEZNQCLSA-N 1 1 307.394 2.377 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000173660163 198237587 /nfs/dbraw/zinc/23/75/87/198237587.db2.gz WEPQKZOECDAEET-ZDUSSCGKSA-N 1 1 324.377 2.219 20 5 DEBDMO CC[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1 ZINC000173928067 198270725 /nfs/dbraw/zinc/27/07/25/198270725.db2.gz DAFSAHOHJLSAIV-GFCCVEGCSA-N 1 1 309.391 2.021 20 5 DEBDMO CC[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1 ZINC000173928067 198270726 /nfs/dbraw/zinc/27/07/26/198270726.db2.gz DAFSAHOHJLSAIV-GFCCVEGCSA-N 1 1 309.391 2.021 20 5 DEBDMO CC[N@H+]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000595535315 358475675 /nfs/dbraw/zinc/47/56/75/358475675.db2.gz NCGWUAPHNVHMJQ-CQSZACIVSA-N 1 1 307.394 2.390 20 5 DEBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000182092917 199385000 /nfs/dbraw/zinc/38/50/00/199385000.db2.gz SPYQGCSJSBKCSG-GFCCVEGCSA-N 1 1 317.345 2.438 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](C1CC1)C1(CO)CCC1 ZINC000595540181 358478300 /nfs/dbraw/zinc/47/83/00/358478300.db2.gz ORAMGFSXRBFVIM-UHFFFAOYSA-N 1 1 306.362 2.353 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000027342044 354090920 /nfs/dbraw/zinc/09/09/20/354090920.db2.gz ZPIHYXOSNFVRQE-GFCCVEGCSA-N 1 1 303.362 2.216 20 5 DEBDMO C[C@H](CNc1c([N+](=O)[O-])ncn1C)[N@H+]1CCc2sccc2C1 ZINC000046479137 354283765 /nfs/dbraw/zinc/28/37/65/354283765.db2.gz PMFLDMZNARJVEE-SNVBAGLBSA-N 1 1 321.406 2.249 20 5 DEBDMO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCOC1 ZINC000052072120 354393568 /nfs/dbraw/zinc/39/35/68/354393568.db2.gz RNIRAOJVSKJLIN-LBPRGKRZSA-N 1 1 322.361 2.320 20 5 DEBDMO COC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000053897374 354446009 /nfs/dbraw/zinc/44/60/09/354446009.db2.gz ZHDASGHMAHJQER-UHFFFAOYSA-N 1 1 318.333 2.256 20 5 DEBDMO Cc1occc1C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000055054581 354481770 /nfs/dbraw/zinc/48/17/70/354481770.db2.gz RBXCFRWAEGLTOB-HNNXBMFYSA-N 1 1 320.345 2.368 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](CC)C2)c1 ZINC000338536346 283033556 /nfs/dbraw/zinc/03/35/56/283033556.db2.gz NUVYBWZEAZSVQT-LBPRGKRZSA-N 1 1 321.377 2.208 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000069137736 354850399 /nfs/dbraw/zinc/85/03/99/354850399.db2.gz MJNGXGFLJCWZKB-ZDUSSCGKSA-N 1 1 305.378 2.365 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000072501364 354902619 /nfs/dbraw/zinc/90/26/19/354902619.db2.gz USQYTJOEEXKISL-ZDUSSCGKSA-N 1 1 323.418 2.287 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000078571329 355268405 /nfs/dbraw/zinc/26/84/05/355268405.db2.gz LRRMRTSAIIZEQM-CYBMUJFWSA-N 1 1 309.341 2.035 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000080640986 355377292 /nfs/dbraw/zinc/37/72/92/355377292.db2.gz JWCSYSCGPGVCDC-MRXNPFEDSA-N 1 1 318.421 2.119 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000269099485 283099715 /nfs/dbraw/zinc/09/97/15/283099715.db2.gz QJGNQHKSXTUZTC-GHMZBOCLSA-N 1 1 321.406 2.225 20 5 DEBDMO Cc1c(C[N@@H+](CCOCCO)C2CCC2)cccc1[N+](=O)[O-] ZINC000595597848 358496641 /nfs/dbraw/zinc/49/66/41/358496641.db2.gz BHWMDSJITZRGDJ-UHFFFAOYSA-N 1 1 308.378 2.267 20 5 DEBDMO C[C@@H](O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093481930 355683817 /nfs/dbraw/zinc/68/38/17/355683817.db2.gz NTMBSCYZILDYBH-SECBINFHSA-N 1 1 304.293 2.399 20 5 DEBDMO C[C@@H](O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093481930 355683820 /nfs/dbraw/zinc/68/38/20/355683820.db2.gz NTMBSCYZILDYBH-SECBINFHSA-N 1 1 304.293 2.399 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000123177217 355804262 /nfs/dbraw/zinc/80/42/62/355804262.db2.gz OGVGRNRAJVCDFY-NSHDSACASA-N 1 1 322.365 2.067 20 5 DEBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000182630765 356133963 /nfs/dbraw/zinc/13/39/63/356133963.db2.gz JAXRJCXEWUAWFA-GFCCVEGCSA-N 1 1 310.350 2.247 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000080771534 192189352 /nfs/dbraw/zinc/18/93/52/192189352.db2.gz ZNONJOLLCHURPR-RISCZKNCSA-N 1 1 306.366 2.399 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000578745149 356865859 /nfs/dbraw/zinc/86/58/59/356865859.db2.gz HMDLYQLELCSYAQ-ZOWXZIJZSA-N 1 1 319.361 2.033 20 5 DEBDMO CCOc1cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000276848512 213131616 /nfs/dbraw/zinc/13/16/16/213131616.db2.gz DFVQERHOCIPLRL-WSVYEEACSA-N 1 1 314.407 2.192 20 5 DEBDMO CCOc1cc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000276848512 213131618 /nfs/dbraw/zinc/13/16/18/213131618.db2.gz DFVQERHOCIPLRL-WSVYEEACSA-N 1 1 314.407 2.192 20 5 DEBDMO C[N@H+]1CCCN(CCCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000587607935 357381522 /nfs/dbraw/zinc/38/15/22/357381522.db2.gz VOZUOBMQMRFSJX-UHFFFAOYSA-N 1 1 310.373 2.173 20 5 DEBDMO CN1CCC[N@H+](CCCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000587607935 357381529 /nfs/dbraw/zinc/38/15/29/357381529.db2.gz VOZUOBMQMRFSJX-UHFFFAOYSA-N 1 1 310.373 2.173 20 5 DEBDMO CN1CCC[N@@H+](CCCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000587607935 357381534 /nfs/dbraw/zinc/38/15/34/357381534.db2.gz VOZUOBMQMRFSJX-UHFFFAOYSA-N 1 1 310.373 2.173 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000590830304 357623167 /nfs/dbraw/zinc/62/31/67/357623167.db2.gz GMJUXDQEBIKSDZ-DOMZBBRYSA-N 1 1 318.377 2.379 20 5 DEBDMO O=C(CC[N@H+]1CCC[C@@H]2COC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000591040951 357665627 /nfs/dbraw/zinc/66/56/27/357665627.db2.gz KHANVRIUHHKUOY-DOMZBBRYSA-N 1 1 319.361 2.034 20 5 DEBDMO CC(C)(C)[N@H+]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000591458938 357726127 /nfs/dbraw/zinc/72/61/27/357726127.db2.gz QYVYSXYDKLNYAT-UHFFFAOYSA-N 1 1 320.393 2.004 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000591515452 357732265 /nfs/dbraw/zinc/73/22/65/357732265.db2.gz KEJLIASTEVHCET-KRWDZBQOSA-N 1 1 317.389 2.379 20 5 DEBDMO COC[C@@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179365941 199022604 /nfs/dbraw/zinc/02/26/04/199022604.db2.gz FVXVKUIOOAQBTA-GFCCVEGCSA-N 1 1 318.377 2.462 20 5 DEBDMO C[C@H]1OCC[C@]1(C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000494281029 283316436 /nfs/dbraw/zinc/31/64/36/283316436.db2.gz AWZVVHUMOFVHDW-BMIGLBTASA-N 1 1 318.333 2.302 20 5 DEBDMO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nc(C2CC2)no1 ZINC000179811900 199083423 /nfs/dbraw/zinc/08/34/23/199083423.db2.gz CUJZWRRNRLRBAB-LBPRGKRZSA-N 1 1 320.353 2.039 20 5 DEBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cn2)[C@@H](Cc2ccccc2)C1 ZINC000593503796 358092983 /nfs/dbraw/zinc/09/29/83/358092983.db2.gz LHFSYSNYLHIXRE-INIZCTEOSA-N 1 1 312.373 2.353 20 5 DEBDMO CNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595029192 358380454 /nfs/dbraw/zinc/38/04/54/358380454.db2.gz IZTAPSFPBXDVRV-FZMZJTMJSA-N 1 1 323.393 2.415 20 5 DEBDMO CC1(C)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000595752875 358540993 /nfs/dbraw/zinc/54/09/93/358540993.db2.gz YEGICWCTFQDONS-CQSZACIVSA-N 1 1 324.425 2.300 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000595810657 358554106 /nfs/dbraw/zinc/55/41/06/358554106.db2.gz ZJBRFVYWOXJZCA-UHFFFAOYSA-N 1 1 319.405 2.139 20 5 DEBDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595825276 358557056 /nfs/dbraw/zinc/55/70/56/358557056.db2.gz DTDVLZDFZKESSH-OAHLLOKOSA-N 1 1 315.377 2.002 20 5 DEBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595880803 358571488 /nfs/dbraw/zinc/57/14/88/358571488.db2.gz ZNFKPIKTLUCZLX-CJNGLKHVSA-N 1 1 308.378 2.314 20 5 DEBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CC1(C)C ZINC000595908697 358577910 /nfs/dbraw/zinc/57/79/10/358577910.db2.gz JUBXKHPQZYJBTB-CYBMUJFWSA-N 1 1 317.389 2.462 20 5 DEBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596174142 358629614 /nfs/dbraw/zinc/62/96/14/358629614.db2.gz IEIJIEJWMMJZPI-SECBINFHSA-N 1 1 307.741 2.371 20 5 DEBDMO Cc1nn(C)c(N2CC[N@@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000596250585 358651934 /nfs/dbraw/zinc/65/19/34/358651934.db2.gz GRMOHPSXVHBKIM-UHFFFAOYSA-N 1 1 307.398 2.091 20 5 DEBDMO COC(=O)c1cnc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596337150 358669209 /nfs/dbraw/zinc/66/92/09/358669209.db2.gz VAPFUEFWYYBCCQ-LLVKDONJSA-N 1 1 322.365 2.061 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597925942 359044395 /nfs/dbraw/zinc/04/43/95/359044395.db2.gz YXUUGHRVPXIFHT-LLVKDONJSA-N 1 1 309.341 2.337 20 5 DEBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000598563031 359242930 /nfs/dbraw/zinc/24/29/30/359242930.db2.gz ZKNVPPOJKCSIGO-AWEZNQCLSA-N 1 1 317.389 2.447 20 5 DEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187858301 200167757 /nfs/dbraw/zinc/16/77/57/200167757.db2.gz SFSPSHQQSOCEFF-LBPRGKRZSA-N 1 1 320.393 2.123 20 5 DEBDMO C[C@@H](Cc1cnn(C)c1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601171367 359951765 /nfs/dbraw/zinc/95/17/65/359951765.db2.gz KBLDNCDDLKMOKC-NSHDSACASA-N 1 1 311.345 2.342 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601311395 360003260 /nfs/dbraw/zinc/00/32/60/360003260.db2.gz XNMSWDSCZONJFA-GFCCVEGCSA-N 1 1 323.368 2.442 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(CNC[C@@H]3CC[N@H+](C4CC4)C3)nc2c1 ZINC000602511786 360410684 /nfs/dbraw/zinc/41/06/84/360410684.db2.gz RPKHRONMYDOTPT-NSHDSACASA-N 1 1 316.361 2.310 20 5 DEBDMO CC[N@@H+](CCNCc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602530187 360420372 /nfs/dbraw/zinc/42/03/72/360420372.db2.gz XBAHDLIXZHJTQA-UHFFFAOYSA-N 1 1 304.350 2.310 20 5 DEBDMO CN(C)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000602658455 360479677 /nfs/dbraw/zinc/47/96/77/360479677.db2.gz YDCCUWYPRKEVEI-QGZVFWFLSA-N 1 1 321.421 2.180 20 5 DEBDMO CN(C)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000602658455 360479678 /nfs/dbraw/zinc/47/96/78/360479678.db2.gz YDCCUWYPRKEVEI-QGZVFWFLSA-N 1 1 321.421 2.180 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000602797273 360559189 /nfs/dbraw/zinc/55/91/89/360559189.db2.gz IFDUJOMPYYVNOV-CQSZACIVSA-N 1 1 301.350 2.332 20 5 DEBDMO Cc1cc([C@@H]2CCC[N@H+]2CCn2c(C)ncc2[N+](=O)[O-])on1 ZINC000602764760 360541310 /nfs/dbraw/zinc/54/13/10/360541310.db2.gz IQXSDISHQJPBAH-LBPRGKRZSA-N 1 1 305.338 2.233 20 5 DEBDMO COC(=O)[C@@]1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000602925752 360628599 /nfs/dbraw/zinc/62/85/99/360628599.db2.gz BDSOPAYILSKBFU-LRDDRELGSA-N 1 1 322.361 2.105 20 5 DEBDMO CC[NH+](CC)Cc1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603222732 360754227 /nfs/dbraw/zinc/75/42/27/360754227.db2.gz CMIOSOJYRABFQL-UHFFFAOYSA-N 1 1 307.329 2.216 20 5 DEBDMO C[C@H]1COCC[N@H+]1C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000603401173 360817685 /nfs/dbraw/zinc/81/76/85/360817685.db2.gz IJABGLXNKADBFM-ZDUSSCGKSA-N 1 1 305.378 2.284 20 5 DEBDMO C[C@H]1COCC[N@@H+]1C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000603404435 360820207 /nfs/dbraw/zinc/82/02/07/360820207.db2.gz ZEQBXJGRROPQFV-NSHDSACASA-N 1 1 311.407 2.346 20 5 DEBDMO C[C@H]1COCC[N@H+]1C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000603404435 360820209 /nfs/dbraw/zinc/82/02/09/360820209.db2.gz ZEQBXJGRROPQFV-NSHDSACASA-N 1 1 311.407 2.346 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609848933 361344360 /nfs/dbraw/zinc/34/43/60/361344360.db2.gz QHFAPYORWDEQIY-STQMWFEESA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CCO)C1 ZINC000609848933 361344366 /nfs/dbraw/zinc/34/43/66/361344366.db2.gz QHFAPYORWDEQIY-STQMWFEESA-N 1 1 321.377 2.016 20 5 DEBDMO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H]1CCOC1 ZINC000609631738 361331007 /nfs/dbraw/zinc/33/10/07/361331007.db2.gz SBWXYWYSQISBHV-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO COC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271431 361568432 /nfs/dbraw/zinc/56/84/32/361568432.db2.gz OYXAAHSPNBUTPQ-LBPRGKRZSA-N 1 1 322.361 2.224 20 5 DEBDMO Cc1noc(C)c1[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611409012 361595057 /nfs/dbraw/zinc/59/50/57/361595057.db2.gz CRAPARWPYUVVTM-VIFPVBQESA-N 1 1 318.333 2.489 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000619567145 363827769 /nfs/dbraw/zinc/82/77/69/363827769.db2.gz VGULWEMTQZSEIB-AWEZNQCLSA-N 1 1 305.378 2.080 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C ZINC000091437629 193056274 /nfs/dbraw/zinc/05/62/74/193056274.db2.gz RGSCNHSCPMJRNP-NXEZZACHSA-N 1 1 311.769 2.461 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000449747889 241028599 /nfs/dbraw/zinc/02/85/99/241028599.db2.gz YRJSRQJOOTTWSL-AWEZNQCLSA-N 1 1 320.393 2.139 20 5 DEBDMO Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000449747889 241028609 /nfs/dbraw/zinc/02/86/09/241028609.db2.gz YRJSRQJOOTTWSL-AWEZNQCLSA-N 1 1 320.393 2.139 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000092218034 193174777 /nfs/dbraw/zinc/17/47/77/193174777.db2.gz INKXHQAZDRTPFE-MRXNPFEDSA-N 1 1 319.405 2.200 20 5 DEBDMO CSC[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550834 243108764 /nfs/dbraw/zinc/10/87/64/243108764.db2.gz SEQTTWDNYGIHEU-ZFWWWQNUSA-N 1 1 310.419 2.498 20 5 DEBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093097799 193203047 /nfs/dbraw/zinc/20/30/47/193203047.db2.gz QHYBMPXKPXOVMJ-SECBINFHSA-N 1 1 300.742 2.489 20 5 DEBDMO COc1ccc(C[N@H+](C)C2CCN(OC)CC2)cc1[N+](=O)[O-] ZINC000453627970 245231400 /nfs/dbraw/zinc/23/14/00/245231400.db2.gz VLXGJHDZFRVUIH-UHFFFAOYSA-N 1 1 309.366 2.061 20 5 DEBDMO CCCCOC[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282461850 217013159 /nfs/dbraw/zinc/01/31/59/217013159.db2.gz MVYLIWWXKVQFGX-INIZCTEOSA-N 1 1 310.394 2.247 20 5 DEBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000266007245 205020422 /nfs/dbraw/zinc/02/04/22/205020422.db2.gz QQIGQNPNUCNOAY-VNHYZAJKSA-N 1 1 308.378 2.455 20 5 DEBDMO Cc1c(CC(=O)NCC[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000458206141 248205032 /nfs/dbraw/zinc/20/50/32/248205032.db2.gz IKZOHGRMEIBDTD-CQSZACIVSA-N 1 1 319.405 2.294 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492164205 249009642 /nfs/dbraw/zinc/00/96/42/249009642.db2.gz QIEOOBOUTXQRJX-BFPHQBHNSA-N 1 1 315.373 2.207 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493536253 249318107 /nfs/dbraw/zinc/31/81/07/249318107.db2.gz ZSTAODZYIXYVAJ-VIIAAUOXSA-N 1 1 303.362 2.161 20 5 DEBDMO C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272938754 210325321 /nfs/dbraw/zinc/32/53/21/210325321.db2.gz LRHPKSVGBUPUGI-QWRGUYRKSA-N 1 1 320.397 2.032 20 5 DEBDMO CC[N@@H+](CC(C)(C)O)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000158098313 197243656 /nfs/dbraw/zinc/24/36/56/197243656.db2.gz UTZXFUSHFSHBKR-NSHDSACASA-N 1 1 309.366 2.015 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000426915951 533135826 /nfs/dbraw/zinc/13/58/26/533135826.db2.gz ZGCYSWYPSWDIND-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO Cc1c([C@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000155005771 197012408 /nfs/dbraw/zinc/01/24/08/197012408.db2.gz ZFVKZEUQHQJFDF-HIFRSBDPSA-N 1 1 320.437 2.190 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000292847705 533219139 /nfs/dbraw/zinc/21/91/39/533219139.db2.gz VKHOBARVUAGGSD-HNNXBMFYSA-N 1 1 306.362 2.483 20 5 DEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000289881309 221289176 /nfs/dbraw/zinc/28/91/76/221289176.db2.gz SIRGWWFEQFEZQC-CYBMUJFWSA-N 1 1 306.366 2.373 20 5 DEBDMO COCC[N@@H+](C)CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000121684359 195329289 /nfs/dbraw/zinc/32/92/89/195329289.db2.gz VFBCIEIXOMVMDE-UHFFFAOYSA-N 1 1 303.309 2.253 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000355682393 133041936 /nfs/dbraw/zinc/04/19/36/133041936.db2.gz OQGKKRSEUZPEOC-OQRGYWNNSA-N 1 1 303.362 2.195 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000357793018 133100285 /nfs/dbraw/zinc/10/02/85/133100285.db2.gz BNXWQABCQWUTHD-LBPRGKRZSA-N 1 1 322.409 2.487 20 5 DEBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000362577371 133239627 /nfs/dbraw/zinc/23/96/27/133239627.db2.gz AGLHEFABFSSXOX-LBPRGKRZSA-N 1 1 307.394 2.372 20 5 DEBDMO CCc1ccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000563802527 292073767 /nfs/dbraw/zinc/07/37/67/292073767.db2.gz DIKQXPLVXGPSNU-GFCCVEGCSA-N 1 1 305.378 2.229 20 5 DEBDMO Cc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000346693384 292099538 /nfs/dbraw/zinc/09/95/38/292099538.db2.gz MUAQQRRJXYVFMD-UHFFFAOYSA-N 1 1 307.394 2.233 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000248177209 145149728 /nfs/dbraw/zinc/14/97/28/145149728.db2.gz VTVCDMOJLOMJDW-XHDPSFHLSA-N 1 1 321.352 2.290 20 5 DEBDMO O=[N+]([O-])c1cc(F)c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC000318076713 145367773 /nfs/dbraw/zinc/36/77/73/145367773.db2.gz GGMPFUCDEQXRJD-KOLCDFICSA-N 1 1 313.304 2.148 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(F)cn3)C2)nc1 ZINC000346506151 146093357 /nfs/dbraw/zinc/09/33/57/146093357.db2.gz QWFACMHJQXOTKT-ZDUSSCGKSA-N 1 1 317.324 2.210 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)nc1 ZINC000346506151 146093358 /nfs/dbraw/zinc/09/33/58/146093358.db2.gz QWFACMHJQXOTKT-ZDUSSCGKSA-N 1 1 317.324 2.210 20 5 DEBDMO CN(C)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000346921006 146165709 /nfs/dbraw/zinc/16/57/09/146165709.db2.gz JUSYOKDKDLMPFY-UHFFFAOYSA-N 1 1 300.318 2.237 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000349117026 146351887 /nfs/dbraw/zinc/35/18/87/146351887.db2.gz IUBADOKGHSSNJU-ZDUSSCGKSA-N 1 1 321.377 2.094 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000359140612 147269578 /nfs/dbraw/zinc/26/95/78/147269578.db2.gz QETJVCNJMCXGPW-STQMWFEESA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000359140612 147269581 /nfs/dbraw/zinc/26/95/81/147269581.db2.gz QETJVCNJMCXGPW-STQMWFEESA-N 1 1 321.377 2.077 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000375456855 148375684 /nfs/dbraw/zinc/37/56/84/148375684.db2.gz BCVPWDYLMYSBLZ-IOASZLSFSA-N 1 1 322.409 2.234 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000007486630 401740962 /nfs/dbraw/zinc/74/09/62/401740962.db2.gz XOSOUCVGLVBMBE-LLVKDONJSA-N 1 1 307.350 2.416 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000007486630 401740965 /nfs/dbraw/zinc/74/09/65/401740965.db2.gz XOSOUCVGLVBMBE-LLVKDONJSA-N 1 1 307.350 2.416 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000111458574 401716309 /nfs/dbraw/zinc/71/63/09/401716309.db2.gz ZCHVSGKQZCJYJI-CQSZACIVSA-N 1 1 320.393 2.268 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000111480047 401716599 /nfs/dbraw/zinc/71/65/99/401716599.db2.gz UPBFFUFURZMUBI-HNNXBMFYSA-N 1 1 320.393 2.268 20 5 DEBDMO CC[C@H](C)[C@H](C)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075717351 401767529 /nfs/dbraw/zinc/76/75/29/401767529.db2.gz PFIWQYKLOBSELH-SLEUVZQESA-N 1 1 310.398 2.051 20 5 DEBDMO CO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000076345458 401791940 /nfs/dbraw/zinc/79/19/40/401791940.db2.gz DCKINWOMCYJYBT-OLZOCXBDSA-N 1 1 321.377 2.341 20 5 DEBDMO CO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000076345458 401791944 /nfs/dbraw/zinc/79/19/44/401791944.db2.gz DCKINWOMCYJYBT-OLZOCXBDSA-N 1 1 321.377 2.341 20 5 DEBDMO CC(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000025136430 401831476 /nfs/dbraw/zinc/83/14/76/401831476.db2.gz HMNHNBQOVBHGTJ-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133755800 401894166 /nfs/dbraw/zinc/89/41/66/401894166.db2.gz HQGFSHQITIVJRW-AAEUAGOBSA-N 1 1 320.349 2.424 20 5 DEBDMO O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000047405758 401981782 /nfs/dbraw/zinc/98/17/82/401981782.db2.gz ZLQVGOPYVNWQSH-LBPRGKRZSA-N 1 1 319.361 2.034 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000121193984 402019488 /nfs/dbraw/zinc/01/94/88/402019488.db2.gz UXQBRIPUABDTIU-NSHDSACASA-N 1 1 309.391 2.279 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000121193984 402019491 /nfs/dbraw/zinc/01/94/91/402019491.db2.gz UXQBRIPUABDTIU-NSHDSACASA-N 1 1 309.391 2.279 20 5 DEBDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000053753417 402059366 /nfs/dbraw/zinc/05/93/66/402059366.db2.gz NGWJZNWWNFGNFB-LBPRGKRZSA-N 1 1 306.366 2.448 20 5 DEBDMO O=C(C1CC1)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000121295456 402026269 /nfs/dbraw/zinc/02/62/69/402026269.db2.gz FFGNIDURFQQRRZ-UHFFFAOYSA-N 1 1 317.389 2.082 20 5 DEBDMO C[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000122328711 402072264 /nfs/dbraw/zinc/07/22/64/402072264.db2.gz RQXGMFBFHHSNEN-XQQFMLRXSA-N 1 1 305.378 2.472 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCCCO)C1CC1 ZINC000152526720 402099087 /nfs/dbraw/zinc/09/90/87/402099087.db2.gz HWZMFWDLUWYHRB-UHFFFAOYSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCCCO)C1CC1 ZINC000152526720 402099090 /nfs/dbraw/zinc/09/90/90/402099090.db2.gz HWZMFWDLUWYHRB-UHFFFAOYSA-N 1 1 321.377 2.079 20 5 DEBDMO COCC[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122998665 402105692 /nfs/dbraw/zinc/10/56/92/402105692.db2.gz KIEFSNZPDWODKF-UHFFFAOYSA-N 1 1 303.156 2.436 20 5 DEBDMO Cc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)c1 ZINC000153037712 402123491 /nfs/dbraw/zinc/12/34/91/402123491.db2.gz VUMDBCCGZQCGCC-UHFFFAOYSA-N 1 1 313.361 2.328 20 5 DEBDMO O=C(CC[N@H+]1CC[C@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000153904916 402179016 /nfs/dbraw/zinc/17/90/16/402179016.db2.gz UUPJMWFSWNWRQL-INIZCTEOSA-N 1 1 319.361 2.036 20 5 DEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000068476161 402199633 /nfs/dbraw/zinc/19/96/33/402199633.db2.gz WLQDRAWZMVJJFG-GFCCVEGCSA-N 1 1 321.377 2.423 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153728473 402166149 /nfs/dbraw/zinc/16/61/49/402166149.db2.gz NUFMTXKSMVWBDV-AAEUAGOBSA-N 1 1 319.361 2.277 20 5 DEBDMO CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+](C)C1 ZINC000154781459 402231940 /nfs/dbraw/zinc/23/19/40/402231940.db2.gz VJOOFWPPZQBMBD-SECBINFHSA-N 1 1 313.304 2.039 20 5 DEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCCCO1 ZINC000126162796 402267456 /nfs/dbraw/zinc/26/74/56/402267456.db2.gz ARHRSFCROISJIV-HNNXBMFYSA-N 1 1 322.361 2.462 20 5 DEBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCCCO1 ZINC000126162796 402267457 /nfs/dbraw/zinc/26/74/57/402267457.db2.gz ARHRSFCROISJIV-HNNXBMFYSA-N 1 1 322.361 2.462 20 5 DEBDMO COc1cc(NCC[NH+]2CCSCC2)c(F)cc1[N+](=O)[O-] ZINC000218856120 402296651 /nfs/dbraw/zinc/29/66/51/402296651.db2.gz UEGQRKKYKGRWAJ-UHFFFAOYSA-N 1 1 315.370 2.203 20 5 DEBDMO Cc1cccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177041250 402363153 /nfs/dbraw/zinc/36/31/53/402363153.db2.gz GNKNNEFRKIXEQO-NWDGAFQWSA-N 1 1 303.362 2.258 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177651590 402423967 /nfs/dbraw/zinc/42/39/67/402423967.db2.gz MGWKFZBVVRSRNQ-WCQYABFASA-N 1 1 318.377 2.019 20 5 DEBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000163525575 402451569 /nfs/dbraw/zinc/45/15/69/402451569.db2.gz BWBPWBCBGPDEJK-GFCCVEGCSA-N 1 1 309.366 2.286 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000247376327 402565725 /nfs/dbraw/zinc/56/57/25/402565725.db2.gz LDFDZYCQKMGWHQ-QJXJPNQISA-N 1 1 317.389 2.407 20 5 DEBDMO COC(=O)[C@@H](C)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000171298803 402575716 /nfs/dbraw/zinc/57/57/16/402575716.db2.gz OAKHPSVGDQPNIC-LBPRGKRZSA-N 1 1 322.361 2.247 20 5 DEBDMO COCC[NH+]1CCC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178660249 402522787 /nfs/dbraw/zinc/52/27/87/402522787.db2.gz QIVFXVGGJQLRTH-ZDUSSCGKSA-N 1 1 307.394 2.356 20 5 DEBDMO CC(C)c1ccc(C(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000188894985 402527236 /nfs/dbraw/zinc/52/72/36/402527236.db2.gz QKSSEAHBYRBQJQ-UHFFFAOYSA-N 1 1 305.378 2.496 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cn(C)nc1C ZINC000178729363 402531425 /nfs/dbraw/zinc/53/14/25/402531425.db2.gz DKGMNTWNKLWYNW-JTQLQIEISA-N 1 1 304.350 2.496 20 5 DEBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000171682528 402609336 /nfs/dbraw/zinc/60/93/36/402609336.db2.gz MTKFYURRJXAVKN-UHFFFAOYSA-N 1 1 307.350 2.416 20 5 DEBDMO COc1ccc(OCC[N@@H+]2C[C@@H](C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000173571773 402703716 /nfs/dbraw/zinc/70/37/16/402703716.db2.gz AYDAQGQLTIFRIW-GFCCVEGCSA-N 1 1 324.377 2.482 20 5 DEBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000173571773 402703720 /nfs/dbraw/zinc/70/37/20/402703720.db2.gz AYDAQGQLTIFRIW-GFCCVEGCSA-N 1 1 324.377 2.482 20 5 DEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CC2CC2)C2CCCCC2)c1 ZINC000173636736 402706292 /nfs/dbraw/zinc/70/62/92/402706292.db2.gz GTZOZYXWWRJWLW-INIZCTEOSA-N 1 1 322.409 2.197 20 5 DEBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@H]2C1 ZINC000255013301 402675422 /nfs/dbraw/zinc/67/54/22/402675422.db2.gz CULOBEKWXCFJLT-CDNLZTBQSA-N 1 1 315.373 2.305 20 5 DEBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255073810 402678300 /nfs/dbraw/zinc/67/83/00/402678300.db2.gz ZIIGBBCWSVUOGF-XURSXEJRSA-N 1 1 315.373 2.303 20 5 DEBDMO CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000174209001 402731711 /nfs/dbraw/zinc/73/17/11/402731711.db2.gz CSZSQIVSDXYMSV-GFCCVEGCSA-N 1 1 305.378 2.229 20 5 DEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](O)C1 ZINC000263931700 402821960 /nfs/dbraw/zinc/82/19/60/402821960.db2.gz UDKZVXFYHDQLQP-ZWNOBZJWSA-N 1 1 318.333 2.163 20 5 DEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](O)C1 ZINC000263931700 402821963 /nfs/dbraw/zinc/82/19/63/402821963.db2.gz UDKZVXFYHDQLQP-ZWNOBZJWSA-N 1 1 318.333 2.163 20 5 DEBDMO CCCC[N@@H+](CCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184199791 402825957 /nfs/dbraw/zinc/82/59/57/402825957.db2.gz OTPOXGPOUDRWJX-UHFFFAOYSA-N 1 1 300.330 2.337 20 5 DEBDMO CC[N@H+]1CCC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000195498693 402847584 /nfs/dbraw/zinc/84/75/84/402847584.db2.gz MUFYTEZBFSGMJN-NSHDSACASA-N 1 1 316.361 2.290 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000264507739 402885204 /nfs/dbraw/zinc/88/52/04/402885204.db2.gz SKOQQEWRZFGCDD-LLVKDONJSA-N 1 1 317.345 2.413 20 5 DEBDMO CC(C)(C)[C@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000265432296 402918391 /nfs/dbraw/zinc/91/83/91/402918391.db2.gz NEFYBTQRFMEBAQ-LBPRGKRZSA-N 1 1 320.349 2.141 20 5 DEBDMO CO[C@@]1(C)CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000279357984 402934485 /nfs/dbraw/zinc/93/44/85/402934485.db2.gz QVVATMBICUZJPC-INIZCTEOSA-N 1 1 321.377 2.424 20 5 DEBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000266921264 402999934 /nfs/dbraw/zinc/99/99/34/402999934.db2.gz ILMDVPSECDXYMU-TZMCWYRMSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000274146896 403030850 /nfs/dbraw/zinc/03/08/50/403030850.db2.gz ICQJGYWEBLHCEY-OCCSQVGLSA-N 1 1 315.377 2.261 20 5 DEBDMO CCOCC[N@@H+](CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266549329 402972895 /nfs/dbraw/zinc/97/28/95/402972895.db2.gz SVUXUSAFUQIMCM-UHFFFAOYSA-N 1 1 312.366 2.341 20 5 DEBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000268134250 403052577 /nfs/dbraw/zinc/05/25/77/403052577.db2.gz GMHLWXRHRUKKKI-UHFFFAOYSA-N 1 1 307.325 2.044 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000268143623 403054059 /nfs/dbraw/zinc/05/40/59/403054059.db2.gz DSJZPNIPQBSGPG-HANDEYTQSA-N 1 1 315.373 2.207 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268294013 403070876 /nfs/dbraw/zinc/07/08/76/403070876.db2.gz ZVNXOGNCXDUACE-MLGOLLRUSA-N 1 1 317.389 2.126 20 5 DEBDMO CCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000268563215 403094877 /nfs/dbraw/zinc/09/48/77/403094877.db2.gz OTEFCMBLFABPFP-UHFFFAOYSA-N 1 1 323.393 2.041 20 5 DEBDMO CC(C)c1[nH]nc(C(=O)Nc2cc[nH+]c(N(C)C)c2)c1[N+](=O)[O-] ZINC000269443111 403139588 /nfs/dbraw/zinc/13/95/88/403139588.db2.gz DZGFDDRBPVHGMZ-UHFFFAOYSA-N 1 1 318.337 2.155 20 5 DEBDMO C[C@@H]1C[N@@H+](CCCNc2cc(N)ccc2[N+](=O)[O-])CCCO1 ZINC000282372466 403147293 /nfs/dbraw/zinc/14/72/93/403147293.db2.gz YGADNGOQDDXECI-GFCCVEGCSA-N 1 1 308.382 2.090 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000269539662 403147756 /nfs/dbraw/zinc/14/77/56/403147756.db2.gz BUYMOYRRQNWBMD-LLVKDONJSA-N 1 1 317.345 2.065 20 5 DEBDMO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282439669 403154158 /nfs/dbraw/zinc/15/41/58/403154158.db2.gz KUOSQRRLUOTJMM-CYBMUJFWSA-N 1 1 307.394 2.324 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000269663570 403155212 /nfs/dbraw/zinc/15/52/12/403155212.db2.gz REPSGDNTDXPBOE-UKRRQHHQSA-N 1 1 316.361 2.231 20 5 DEBDMO CCOC[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269700920 403158471 /nfs/dbraw/zinc/15/84/71/403158471.db2.gz YEKGXWFRIDVTRJ-CJNGLKHVSA-N 1 1 308.378 2.377 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000270478230 403194236 /nfs/dbraw/zinc/19/42/36/403194236.db2.gz JBADVYONODOLJC-GFCCVEGCSA-N 1 1 322.283 2.396 20 5 DEBDMO CC[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1O ZINC000270985746 403249641 /nfs/dbraw/zinc/24/96/41/403249641.db2.gz XTCUKYXBXFLUFY-IAQYHMDHSA-N 1 1 317.345 2.453 20 5 DEBDMO C[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284228020 403255423 /nfs/dbraw/zinc/25/54/23/403255423.db2.gz ULWUKUOQVYKPFE-GVXVVHGQSA-N 1 1 304.394 2.453 20 5 DEBDMO C[C@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284228020 403255425 /nfs/dbraw/zinc/25/54/25/403255425.db2.gz ULWUKUOQVYKPFE-GVXVVHGQSA-N 1 1 304.394 2.453 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000331209710 403353422 /nfs/dbraw/zinc/35/34/22/403353422.db2.gz QRSRLHYMDYUPDB-CQSZACIVSA-N 1 1 321.377 2.016 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000331209710 403353429 /nfs/dbraw/zinc/35/34/29/403353429.db2.gz QRSRLHYMDYUPDB-CQSZACIVSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H]1[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000342834930 403366453 /nfs/dbraw/zinc/36/64/53/403366453.db2.gz LYSSWQABAGXUIL-SCZZXKLOSA-N 1 1 307.379 2.494 20 5 DEBDMO Cc1cc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])no1 ZINC000292150015 403306652 /nfs/dbraw/zinc/30/66/52/403306652.db2.gz NKMUPJDMFLIEQX-UHFFFAOYSA-N 1 1 318.333 2.355 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000292182202 403313837 /nfs/dbraw/zinc/31/38/37/403313837.db2.gz YEXGNVVFUVJOLH-WTNCMQEWSA-N 1 1 305.378 2.453 20 5 DEBDMO C[C@@H]1C[N@H+](CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCO1 ZINC000298201278 403330260 /nfs/dbraw/zinc/33/02/60/403330260.db2.gz IFYYJYOOZBEXPB-CYBMUJFWSA-N 1 1 316.361 2.179 20 5 DEBDMO C[C@@H]1C[N@@H+](CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCO1 ZINC000298201278 403330263 /nfs/dbraw/zinc/33/02/63/403330263.db2.gz IFYYJYOOZBEXPB-CYBMUJFWSA-N 1 1 316.361 2.179 20 5 DEBDMO Cn1c[nH+]cc1CCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000345530214 403369177 /nfs/dbraw/zinc/36/91/77/403369177.db2.gz PYRLVNMKDMCEFP-UHFFFAOYSA-N 1 1 313.317 2.087 20 5 DEBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000342960095 403412034 /nfs/dbraw/zinc/41/20/34/403412034.db2.gz LLMNLHNTQQEPRV-LRDDRELGSA-N 1 1 317.389 2.284 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345708028 403447468 /nfs/dbraw/zinc/44/74/68/403447468.db2.gz DFVZAPYLENMFGU-STQMWFEESA-N 1 1 320.393 2.219 20 5 DEBDMO CC[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331742165 403455083 /nfs/dbraw/zinc/45/50/83/403455083.db2.gz XONKTNPNCHFHNE-ZDUSSCGKSA-N 1 1 303.362 2.358 20 5 DEBDMO CC[N@@H+](CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000339884838 403483565 /nfs/dbraw/zinc/48/35/65/403483565.db2.gz CCWAEMLNXQTQRB-UHFFFAOYSA-N 1 1 319.405 2.473 20 5 DEBDMO C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1CO ZINC000332242184 403526769 /nfs/dbraw/zinc/52/67/69/403526769.db2.gz RXWYMQHRZUUPPY-HZMBPMFUSA-N 1 1 304.350 2.064 20 5 DEBDMO C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1CO ZINC000332242184 403526772 /nfs/dbraw/zinc/52/67/72/403526772.db2.gz RXWYMQHRZUUPPY-HZMBPMFUSA-N 1 1 304.350 2.064 20 5 DEBDMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332197949 403511751 /nfs/dbraw/zinc/51/17/51/403511751.db2.gz CRPOQXADBXCIQG-NXEZZACHSA-N 1 1 304.350 2.205 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000343277369 403522211 /nfs/dbraw/zinc/52/22/11/403522211.db2.gz WYCIINLRFRDMPL-NSHDSACASA-N 1 1 321.377 2.206 20 5 DEBDMO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC[N@H+]1C ZINC000343441127 403592650 /nfs/dbraw/zinc/59/26/50/403592650.db2.gz BTCWLEOIAWREFZ-TVQRCGJNSA-N 1 1 311.769 2.461 20 5 DEBDMO CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343528858 403624811 /nfs/dbraw/zinc/62/48/11/403624811.db2.gz MBTYEDDBTQYIBC-YPMHNXCESA-N 1 1 321.377 2.206 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000347259765 403640288 /nfs/dbraw/zinc/64/02/88/403640288.db2.gz DIYLBRHOAIOXOH-ONGXEEELSA-N 1 1 310.329 2.338 20 5 DEBDMO CCOc1cc(NC[C@H]2C[N@@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000301525524 403642642 /nfs/dbraw/zinc/64/26/42/403642642.db2.gz NAEWQJQNMJUEBP-AWEZNQCLSA-N 1 1 321.377 2.269 20 5 DEBDMO CCOc1cc(NC[C@H]2C[N@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000301525524 403642644 /nfs/dbraw/zinc/64/26/44/403642644.db2.gz NAEWQJQNMJUEBP-AWEZNQCLSA-N 1 1 321.377 2.269 20 5 DEBDMO Cc1nc(NC[C@H](CC(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301643527 403658852 /nfs/dbraw/zinc/65/88/52/403658852.db2.gz MYGDNXFDPCLFQO-AWEZNQCLSA-N 1 1 322.409 2.457 20 5 DEBDMO O=[N+]([O-])c1ccsc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000301931483 403702910 /nfs/dbraw/zinc/70/29/10/403702910.db2.gz LRIFOCDTCFPDJK-GFCCVEGCSA-N 1 1 311.407 2.205 20 5 DEBDMO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340967379 403717058 /nfs/dbraw/zinc/71/70/58/403717058.db2.gz KVYZTYRAMWCTOD-QMTHXVAHSA-N 1 1 303.318 2.205 20 5 DEBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340967379 403717059 /nfs/dbraw/zinc/71/70/59/403717059.db2.gz KVYZTYRAMWCTOD-QMTHXVAHSA-N 1 1 303.318 2.205 20 5 DEBDMO CC(C)(C)OC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000304972201 403806613 /nfs/dbraw/zinc/80/66/13/403806613.db2.gz XCJNDGFRTSTMIM-OAHLLOKOSA-N 1 1 308.378 2.129 20 5 DEBDMO CC(C)(C)OC[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000304972201 403806619 /nfs/dbraw/zinc/80/66/19/403806619.db2.gz XCJNDGFRTSTMIM-OAHLLOKOSA-N 1 1 308.378 2.129 20 5 DEBDMO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000304972200 403806997 /nfs/dbraw/zinc/80/69/97/403806997.db2.gz XCJNDGFRTSTMIM-HNNXBMFYSA-N 1 1 308.378 2.129 20 5 DEBDMO CC(C)(C)OC[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000304972200 403806999 /nfs/dbraw/zinc/80/69/99/403806999.db2.gz XCJNDGFRTSTMIM-HNNXBMFYSA-N 1 1 308.378 2.129 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295257221 403815774 /nfs/dbraw/zinc/81/57/74/403815774.db2.gz ZXGOHDDQMXUSAW-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411398664 403846299 /nfs/dbraw/zinc/84/62/99/403846299.db2.gz JUNNWPWRFMAQNT-IUODEOHRSA-N 1 1 321.377 2.159 20 5 DEBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)CO ZINC000295371516 403887321 /nfs/dbraw/zinc/88/73/21/403887321.db2.gz ZWGXNAOFSBZSTI-UHFFFAOYSA-N 1 1 320.349 2.095 20 5 DEBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)CO ZINC000295371516 403887327 /nfs/dbraw/zinc/88/73/27/403887327.db2.gz ZWGXNAOFSBZSTI-UHFFFAOYSA-N 1 1 320.349 2.095 20 5 DEBDMO CCO[C@H]1COCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351816408 403937663 /nfs/dbraw/zinc/93/76/63/403937663.db2.gz QZMBZFLUWTZNSC-KGLIPLIRSA-N 1 1 316.304 2.157 20 5 DEBDMO C[C@H]1C[C@H](CO)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000344148495 403940105 /nfs/dbraw/zinc/94/01/05/403940105.db2.gz RFNYYSWFSSMXDO-QWHCGFSZSA-N 1 1 321.377 2.016 20 5 DEBDMO CC[C@H](C)[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411741120 403955810 /nfs/dbraw/zinc/95/58/10/403955810.db2.gz PJRVHQWQYVHQAB-LBPRGKRZSA-N 1 1 309.366 2.016 20 5 DEBDMO CC(C)Oc1cc(C(=O)NCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000411868506 403997783 /nfs/dbraw/zinc/99/77/83/403997783.db2.gz KYYNPCUERPQDFO-UHFFFAOYSA-N 1 1 323.393 2.452 20 5 DEBDMO C[C@H](O)C[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289821726 404000232 /nfs/dbraw/zinc/00/02/32/404000232.db2.gz OBCIFJDZRRHFHT-QMMMGPOBSA-N 1 1 323.176 2.077 20 5 DEBDMO C[C@H](O)C[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289821726 404000240 /nfs/dbraw/zinc/00/02/40/404000240.db2.gz OBCIFJDZRRHFHT-QMMMGPOBSA-N 1 1 323.176 2.077 20 5 DEBDMO CO[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296014422 404052506 /nfs/dbraw/zinc/05/25/06/404052506.db2.gz MTGMPRMIFCGTBE-GJZGRUSLSA-N 1 1 308.378 2.375 20 5 DEBDMO CC(C)Oc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000412098911 404133051 /nfs/dbraw/zinc/13/30/51/404133051.db2.gz YYJOOCDUNUKVPK-GFCCVEGCSA-N 1 1 321.377 2.158 20 5 DEBDMO CC(C)Oc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000412098911 404133055 /nfs/dbraw/zinc/13/30/55/404133055.db2.gz YYJOOCDUNUKVPK-GFCCVEGCSA-N 1 1 321.377 2.158 20 5 DEBDMO CC(C)(C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000352153212 404181113 /nfs/dbraw/zinc/18/11/13/404181113.db2.gz FCAUDBYPFKJTJM-ZDUSSCGKSA-N 1 1 317.389 2.225 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000344637726 404277514 /nfs/dbraw/zinc/27/75/14/404277514.db2.gz FZIMGIMTCQPQKK-CQSZACIVSA-N 1 1 305.378 2.445 20 5 DEBDMO C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000296850285 404342047 /nfs/dbraw/zinc/34/20/47/404342047.db2.gz XZKCIDCPQNLHMT-AWEZNQCLSA-N 1 1 319.405 2.390 20 5 DEBDMO C[C@@H]1CN(C2CC2)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296850285 404342056 /nfs/dbraw/zinc/34/20/56/404342056.db2.gz XZKCIDCPQNLHMT-AWEZNQCLSA-N 1 1 319.405 2.390 20 5 DEBDMO C[C@@H]1CN(C2CC2)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296850285 404342064 /nfs/dbraw/zinc/34/20/64/404342064.db2.gz XZKCIDCPQNLHMT-AWEZNQCLSA-N 1 1 319.405 2.390 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000290923260 404359666 /nfs/dbraw/zinc/35/96/66/404359666.db2.gz MRIUXQXJGDFVIS-CYBMUJFWSA-N 1 1 323.393 2.210 20 5 DEBDMO CCn1nccc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000352358086 404312950 /nfs/dbraw/zinc/31/29/50/404312950.db2.gz RIXLIHDFVTTZJX-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO CCn1nccc1C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000352358086 404312952 /nfs/dbraw/zinc/31/29/52/404312952.db2.gz RIXLIHDFVTTZJX-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO COC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000296781810 404319381 /nfs/dbraw/zinc/31/93/81/404319381.db2.gz QFJMGXZFZUCGLV-LRDDRELGSA-N 1 1 321.377 2.280 20 5 DEBDMO Cc1cccc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000372946276 404518011 /nfs/dbraw/zinc/51/80/11/404518011.db2.gz GHHITQJPTPKKIP-OAHLLOKOSA-N 1 1 318.421 2.119 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000291646647 404462689 /nfs/dbraw/zinc/46/26/89/404462689.db2.gz WEMYTFWVTOYUFZ-LLVKDONJSA-N 1 1 309.366 2.151 20 5 DEBDMO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000291646647 404462693 /nfs/dbraw/zinc/46/26/93/404462693.db2.gz WEMYTFWVTOYUFZ-LLVKDONJSA-N 1 1 309.366 2.151 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000291646647 404462696 /nfs/dbraw/zinc/46/26/96/404462696.db2.gz WEMYTFWVTOYUFZ-LLVKDONJSA-N 1 1 309.366 2.151 20 5 DEBDMO Cc1[nH+]ccn1CCCCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342351526 404526226 /nfs/dbraw/zinc/52/62/26/404526226.db2.gz SNIFNIZPVVZDEV-UHFFFAOYSA-N 1 1 317.349 2.091 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352699206 404556925 /nfs/dbraw/zinc/55/69/25/404556925.db2.gz PHSLGNLIQDOOLX-GJZGRUSLSA-N 1 1 321.377 2.077 20 5 DEBDMO COC(=O)C(C)(C)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707495 404565293 /nfs/dbraw/zinc/56/52/93/404565293.db2.gz SAQHNVBXAFGTMR-UHFFFAOYSA-N 1 1 322.361 2.379 20 5 DEBDMO COC(=O)C(C)(C)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707495 404565298 /nfs/dbraw/zinc/56/52/98/404565298.db2.gz SAQHNVBXAFGTMR-UHFFFAOYSA-N 1 1 322.361 2.379 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373935912 404648877 /nfs/dbraw/zinc/64/88/77/404648877.db2.gz UPPDXBWWDGIPRT-OCCSQVGLSA-N 1 1 304.350 2.343 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000352769902 404606046 /nfs/dbraw/zinc/60/60/46/404606046.db2.gz LYEWIDPXJBAYQY-TZMCWYRMSA-N 1 1 303.362 2.271 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000352769902 404606052 /nfs/dbraw/zinc/60/60/52/404606052.db2.gz LYEWIDPXJBAYQY-TZMCWYRMSA-N 1 1 303.362 2.271 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342608745 404676471 /nfs/dbraw/zinc/67/64/71/404676471.db2.gz UAKCHKBYPXZFGJ-SWLSCSKDSA-N 1 1 321.377 2.423 20 5 DEBDMO Cc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000360071744 404816205 /nfs/dbraw/zinc/81/62/05/404816205.db2.gz LDKCJZGAZIZPSK-UHFFFAOYSA-N 1 1 305.313 2.092 20 5 DEBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000353395685 404822321 /nfs/dbraw/zinc/82/23/21/404822321.db2.gz QTHMBFGEWKAMMU-WFASDCNBSA-N 1 1 316.361 2.044 20 5 DEBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000434423890 404895530 /nfs/dbraw/zinc/89/55/30/404895530.db2.gz GVEWKZBPPXMJLY-CYBMUJFWSA-N 1 1 321.352 2.481 20 5 DEBDMO CO[C@H](C)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353490738 404846061 /nfs/dbraw/zinc/84/60/61/404846061.db2.gz HDMVOGQWXVUYAM-IUODEOHRSA-N 1 1 318.377 2.432 20 5 DEBDMO CCc1nn(C)c(N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000360959758 404862578 /nfs/dbraw/zinc/86/25/78/404862578.db2.gz HWDVGMCGYJPXPC-RYUDHWBXSA-N 1 1 309.414 2.423 20 5 DEBDMO O=C1C[C@]2(CN1)CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000353747358 404954516 /nfs/dbraw/zinc/95/45/16/404954516.db2.gz AAMXDLJGAYVQLW-ZVVFDCPKSA-N 1 1 315.373 2.210 20 5 DEBDMO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000361083160 404909301 /nfs/dbraw/zinc/90/93/01/404909301.db2.gz XCQFTDXHNBILKP-QWRGUYRKSA-N 1 1 322.365 2.061 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](CCCO)C3)nc2c1 ZINC000452130310 405188824 /nfs/dbraw/zinc/18/88/24/405188824.db2.gz NYRJYVGFGVTDIZ-NSHDSACASA-N 1 1 305.334 2.330 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CCCO)C1 ZINC000452133694 405190381 /nfs/dbraw/zinc/19/03/81/405190381.db2.gz SMJVDLNDTYJPEU-STQMWFEESA-N 1 1 321.377 2.016 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354418773 405205179 /nfs/dbraw/zinc/20/51/79/405205179.db2.gz DAKIQXWQGXLWIC-CJNGLKHVSA-N 1 1 319.405 2.469 20 5 DEBDMO C[C@@H]1[C@H](C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000419371751 405245070 /nfs/dbraw/zinc/24/50/70/405245070.db2.gz LIHLGWSTHCEOPK-MQYQWHSLSA-N 1 1 308.378 2.311 20 5 DEBDMO C[C@H]1CCCN1C(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000438831188 405255698 /nfs/dbraw/zinc/25/56/98/405255698.db2.gz JGLSNGJKAIZXMU-ZDUSSCGKSA-N 1 1 305.378 2.428 20 5 DEBDMO O=C(C[N@H+]1CC[C@@H]2CCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000426457185 405360865 /nfs/dbraw/zinc/36/08/65/405360865.db2.gz XNVUEAGHBBUCGO-WFASDCNBSA-N 1 1 315.373 2.358 20 5 DEBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000446069130 405368623 /nfs/dbraw/zinc/36/86/23/405368623.db2.gz UOWIWXCUFZIYTJ-CQSZACIVSA-N 1 1 321.377 2.016 20 5 DEBDMO Cc1cc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000421089936 405445769 /nfs/dbraw/zinc/44/57/69/405445769.db2.gz NOJVMACBBYVUDP-ZDUSSCGKSA-N 1 1 306.366 2.461 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448981551 405484874 /nfs/dbraw/zinc/48/48/74/405484874.db2.gz UCRVOJSEGOIOBO-UHFFFAOYSA-N 1 1 321.377 2.014 20 5 DEBDMO CNC(=O)[C@]1(C)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000430773378 405505540 /nfs/dbraw/zinc/50/55/40/405505540.db2.gz SXPGZSLSJFRDRY-GMNBZTITSA-N 1 1 303.362 2.066 20 5 DEBDMO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000580526120 405634099 /nfs/dbraw/zinc/63/40/99/405634099.db2.gz CLPLWPBGBZYXBV-QWHCGFSZSA-N 1 1 320.393 2.297 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000457107930 405704305 /nfs/dbraw/zinc/70/43/05/405704305.db2.gz FOIBLZQNRWRSBY-HNNXBMFYSA-N 1 1 305.378 2.078 20 5 DEBDMO CCC([NH3+])(CC)CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423289930 405749452 /nfs/dbraw/zinc/74/94/52/405749452.db2.gz YNBRAWWTJNDENA-LBPRGKRZSA-N 1 1 322.409 2.419 20 5 DEBDMO CNc1ccc(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000530886509 405875958 /nfs/dbraw/zinc/87/59/58/405875958.db2.gz IBOPOSNNFMLTHR-UHFFFAOYSA-N 1 1 315.333 2.350 20 5 DEBDMO COC(=O)Cc1ccc(N[C@@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000450533077 405944388 /nfs/dbraw/zinc/94/43/88/405944388.db2.gz SQJUTWFSTZIIDV-LBPRGKRZSA-N 1 1 323.393 2.451 20 5 DEBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000459768407 406037477 /nfs/dbraw/zinc/03/74/77/406037477.db2.gz RCWDWCJKTJAPOY-LBPRGKRZSA-N 1 1 306.341 2.493 20 5 DEBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000487136163 406207558 /nfs/dbraw/zinc/20/75/58/406207558.db2.gz KJCGHLHPZOCPRW-JOYOIKCWSA-N 1 1 311.769 2.062 20 5 DEBDMO COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1F ZINC000546636624 406369318 /nfs/dbraw/zinc/36/93/18/406369318.db2.gz BVTJKLMTFHMVSA-MNOVXSKESA-N 1 1 312.341 2.335 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1F ZINC000546636624 406369321 /nfs/dbraw/zinc/36/93/21/406369321.db2.gz BVTJKLMTFHMVSA-MNOVXSKESA-N 1 1 312.341 2.335 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000525803718 406503856 /nfs/dbraw/zinc/50/38/56/406503856.db2.gz FMPXPHJZQDSVMP-LLVKDONJSA-N 1 1 317.345 2.413 20 5 DEBDMO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000491685285 406669588 /nfs/dbraw/zinc/66/95/88/406669588.db2.gz KTFAHAYOVSVWKZ-PPYMECGQSA-N 1 1 315.373 2.303 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000553388349 406756714 /nfs/dbraw/zinc/75/67/14/406756714.db2.gz ZPOUGIXDYBSWHU-GFCCVEGCSA-N 1 1 321.377 2.444 20 5 DEBDMO CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000491909051 406773965 /nfs/dbraw/zinc/77/39/65/406773965.db2.gz ABHYWQJDORBCIB-IQCBXXCUSA-N 1 1 321.352 2.300 20 5 DEBDMO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCC[N@@H+]1CC=CCC1 ZINC000492019033 406811318 /nfs/dbraw/zinc/81/13/18/406811318.db2.gz NVKPKSKHMADXFT-ALCCZGGFSA-N 1 1 319.336 2.125 20 5 DEBDMO COCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000189885885 225067098 /nfs/dbraw/zinc/06/70/98/225067098.db2.gz LYKYXPHGALZAFW-UHFFFAOYSA-N 1 1 302.758 2.079 20 5 DEBDMO COCCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000189885885 225067100 /nfs/dbraw/zinc/06/71/00/225067100.db2.gz LYKYXPHGALZAFW-UHFFFAOYSA-N 1 1 302.758 2.079 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000290953540 222026854 /nfs/dbraw/zinc/02/68/54/222026854.db2.gz PLEYPALIJPPAIB-NSHDSACASA-N 1 1 308.382 2.027 20 5 DEBDMO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000291171628 222192873 /nfs/dbraw/zinc/19/28/73/222192873.db2.gz DQXICETZYTWIBL-GFCCVEGCSA-N 1 1 300.305 2.353 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000291171628 222192876 /nfs/dbraw/zinc/19/28/76/222192876.db2.gz DQXICETZYTWIBL-GFCCVEGCSA-N 1 1 300.305 2.353 20 5 DEBDMO COc1ccc(CNc2nc(C)[nH+]c(C)c2C)cc1[N+](=O)[O-] ZINC000354396310 425062934 /nfs/dbraw/zinc/06/29/34/425062934.db2.gz UGQYZFSDEPQFFN-UHFFFAOYSA-N 1 1 302.334 2.931 20 5 DEBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCO[C@@H]1C ZINC000430242115 269128013 /nfs/dbraw/zinc/12/80/13/269128013.db2.gz HZCFWCSLNIVUDT-DOMZBBRYSA-N 1 1 324.377 2.229 20 5 DEBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCO[C@@H]1C ZINC000430242115 269128015 /nfs/dbraw/zinc/12/80/15/269128015.db2.gz HZCFWCSLNIVUDT-DOMZBBRYSA-N 1 1 324.377 2.229 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)cn1 ZINC000507211430 269315805 /nfs/dbraw/zinc/31/58/05/269315805.db2.gz MDBKWLGDEFYQQK-UHFFFAOYSA-N 1 1 314.345 2.018 20 5 DEBDMO C[C@@H]1C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1C ZINC000347463407 274395134 /nfs/dbraw/zinc/39/51/34/274395134.db2.gz MLZHUELVVGWFLC-MNOVXSKESA-N 1 1 301.350 2.433 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343529269 274398605 /nfs/dbraw/zinc/39/86/05/274398605.db2.gz MWYUMKRQRQXYAD-NWDGAFQWSA-N 1 1 312.391 2.099 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343529269 274398606 /nfs/dbraw/zinc/39/86/06/274398606.db2.gz MWYUMKRQRQXYAD-NWDGAFQWSA-N 1 1 312.391 2.099 20 5 DEBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)cs1 ZINC000288623931 275033147 /nfs/dbraw/zinc/03/31/47/275033147.db2.gz SATUJJUARKDBCC-FZMZJTMJSA-N 1 1 306.343 2.241 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420643596 276231471 /nfs/dbraw/zinc/23/14/71/276231471.db2.gz VTXUOAJNZFBCRM-LLVKDONJSA-N 1 1 308.382 2.226 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000346761927 276248596 /nfs/dbraw/zinc/24/85/96/276248596.db2.gz CTPQQIHXVZLYCK-STQMWFEESA-N 1 1 305.378 2.458 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000293803058 277086220 /nfs/dbraw/zinc/08/62/20/277086220.db2.gz AEPVEADIPAIULM-INIZCTEOSA-N 1 1 303.362 2.153 20 5 DEBDMO COc1cccc(C(=O)NCC[N@@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000192527587 278007639 /nfs/dbraw/zinc/00/76/39/278007639.db2.gz XKEBCAWAXWWNCP-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330576051 278267092 /nfs/dbraw/zinc/26/70/92/278267092.db2.gz QXSKJEVXNBKWTJ-XQQFMLRXSA-N 1 1 322.409 2.030 20 5 DEBDMO Cc1nc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000370564381 293340554 /nfs/dbraw/zinc/34/05/54/293340554.db2.gz AXMLEBLXHCKIHI-HIFRSBDPSA-N 1 1 320.393 2.354 20 5 DEBDMO C[C@@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000574250354 326136438 /nfs/dbraw/zinc/13/64/38/326136438.db2.gz JJAMHNXVJNLTAX-QWHCGFSZSA-N 1 1 305.378 2.156 20 5 DEBDMO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000576535023 326300557 /nfs/dbraw/zinc/30/05/57/326300557.db2.gz DVUNOSYBWSPBIB-OLZOCXBDSA-N 1 1 317.389 2.299 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000576779892 326318595 /nfs/dbraw/zinc/31/85/95/326318595.db2.gz DBGDUYOYLQARAW-NWDGAFQWSA-N 1 1 323.368 2.390 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000576779892 326318597 /nfs/dbraw/zinc/31/85/97/326318597.db2.gz DBGDUYOYLQARAW-NWDGAFQWSA-N 1 1 323.368 2.390 20 5 DEBDMO C[C@H]1C[NH+](CCN2CCc3ccc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC001329875591 1149007141 /nfs/dbraw/zinc/00/71/41/1149007141.db2.gz BQAMSDKJWRTSOC-KBPBESRZSA-N 1 1 319.405 2.062 20 5 DEBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC1CC1 ZINC000112983136 520362913 /nfs/dbraw/zinc/36/29/13/520362913.db2.gz CNJPOIPYEKTMRE-UHFFFAOYSA-N 1 1 307.350 2.274 20 5 DEBDMO Cc1ccc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249960834 524458250 /nfs/dbraw/zinc/45/82/50/524458250.db2.gz WKAXMBWJRLMZIF-CQSZACIVSA-N 1 1 321.421 2.180 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCc3cncs3)C2)nc1 ZINC000411372277 534882686 /nfs/dbraw/zinc/88/26/86/534882686.db2.gz CDZCDGJGXORYOO-LLVKDONJSA-N 1 1 319.390 2.175 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000245513809 526088987 /nfs/dbraw/zinc/08/89/87/526088987.db2.gz AYLDBTQKBBKWNR-ZNMIVQPWSA-N 1 1 321.421 2.351 20 5 DEBDMO O=C(CC[N@H+](CCCCO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000337210039 526473827 /nfs/dbraw/zinc/47/38/27/526473827.db2.gz BVTZFCGHFLBPDA-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000106791176 527046202 /nfs/dbraw/zinc/04/62/02/527046202.db2.gz JSBMTOYHBPQYMW-NSHDSACASA-N 1 1 321.352 2.481 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCSCC[NH+]2CCOCC2)cc1 ZINC000159812907 527372767 /nfs/dbraw/zinc/37/27/67/527372767.db2.gz OPDFHHRKTVMGNW-UHFFFAOYSA-N 1 1 312.391 2.039 20 5 DEBDMO Cc1[nH+]ccn1CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000129992634 527401499 /nfs/dbraw/zinc/40/14/99/527401499.db2.gz FVYVWVODBKPPMD-UHFFFAOYSA-N 1 1 316.361 2.239 20 5 DEBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294886724 527798603 /nfs/dbraw/zinc/79/86/03/527798603.db2.gz VDCBYACONFAXAX-UHFFFAOYSA-N 1 1 319.283 2.295 20 5 DEBDMO CNC(=O)c1ccc(N[C@@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000357574472 536434688 /nfs/dbraw/zinc/43/46/88/536434688.db2.gz ANMCLTHKGBKBIY-NSHDSACASA-N 1 1 308.382 2.095 20 5 DEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000493056420 536487364 /nfs/dbraw/zinc/48/73/64/536487364.db2.gz UEIZFDWAEJGCTC-WIPWUNCGSA-N 1 1 315.373 2.161 20 5 DEBDMO COC(=O)c1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000348679633 536657966 /nfs/dbraw/zinc/65/79/66/536657966.db2.gz ZTHNAJCJZXWKMO-UHFFFAOYSA-N 1 1 317.345 2.384 20 5 DEBDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451577659 536682976 /nfs/dbraw/zinc/68/29/76/536682976.db2.gz VVQHTRXNDKBDHI-TZMCWYRMSA-N 1 1 321.377 2.199 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451577659 536682980 /nfs/dbraw/zinc/68/29/80/536682980.db2.gz VVQHTRXNDKBDHI-TZMCWYRMSA-N 1 1 321.377 2.199 20 5 DEBDMO Cc1ccc(COC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000835481423 649927399 /nfs/dbraw/zinc/92/73/99/649927399.db2.gz VDICRRFLVHXLMJ-CYBMUJFWSA-N 1 1 324.402 2.384 20 5 DEBDMO Cc1ccc(COC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000835481423 649927401 /nfs/dbraw/zinc/92/74/01/649927401.db2.gz VDICRRFLVHXLMJ-CYBMUJFWSA-N 1 1 324.402 2.384 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934256053 624805857 /nfs/dbraw/zinc/80/58/57/624805857.db2.gz ZQJIRMPDBSULJH-COXVUDFISA-N 1 1 319.405 2.187 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934256053 624805858 /nfs/dbraw/zinc/80/58/58/624805858.db2.gz ZQJIRMPDBSULJH-COXVUDFISA-N 1 1 319.405 2.187 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934256053 624805862 /nfs/dbraw/zinc/80/58/62/624805862.db2.gz ZQJIRMPDBSULJH-COXVUDFISA-N 1 1 319.405 2.187 20 5 DEBDMO C[C@@H](Nc1c([N+](=O)[O-])cnn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893119408 625124921 /nfs/dbraw/zinc/12/49/21/625124921.db2.gz QVBDFUHRFZHNLH-VXGBXAGGSA-N 1 1 307.398 2.393 20 5 DEBDMO COc1c(O)ccc(CNCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892572478 625158651 /nfs/dbraw/zinc/15/86/51/625158651.db2.gz JGKDRMFTVTYPQP-LBPRGKRZSA-N 1 1 323.393 2.273 20 5 DEBDMO COc1c(O)ccc(C[NH2+]CCN2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892572478 625158653 /nfs/dbraw/zinc/15/86/53/625158653.db2.gz JGKDRMFTVTYPQP-LBPRGKRZSA-N 1 1 323.393 2.273 20 5 DEBDMO Cc1[nH+]ccn1CCCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000725889341 625198614 /nfs/dbraw/zinc/19/86/14/625198614.db2.gz IFYRCMUWBGMLKV-UHFFFAOYSA-N 1 1 316.361 2.239 20 5 DEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000836848569 650136055 /nfs/dbraw/zinc/13/60/55/650136055.db2.gz LYUSVNNCFWPBQJ-SUBBQANTSA-N 1 1 315.373 2.161 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000893531550 634195662 /nfs/dbraw/zinc/19/56/62/634195662.db2.gz KYVKKGPSEZCQSX-LLVKDONJSA-N 1 1 317.349 2.116 20 5 DEBDMO CC1(C(=O)N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000981216131 635376097 /nfs/dbraw/zinc/37/60/97/635376097.db2.gz MJKMLDXBVSZADK-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO CC1(C(=O)N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000981216131 635376102 /nfs/dbraw/zinc/37/61/02/635376102.db2.gz MJKMLDXBVSZADK-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO C[C@H](NC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000894016469 636093210 /nfs/dbraw/zinc/09/32/10/636093210.db2.gz SMSKQWMFQAGRLE-QWHCGFSZSA-N 1 1 320.393 2.391 20 5 DEBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@H+]2C2CCOCC2)c(F)c1 ZINC000922956333 636883581 /nfs/dbraw/zinc/88/35/81/636883581.db2.gz YEEGMAGVTZTYNU-HNNXBMFYSA-N 1 1 323.368 2.077 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c(F)c1 ZINC000922956333 636883614 /nfs/dbraw/zinc/88/36/14/636883614.db2.gz YEEGMAGVTZTYNU-HNNXBMFYSA-N 1 1 323.368 2.077 20 5 DEBDMO C[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000923389268 637156284 /nfs/dbraw/zinc/15/62/84/637156284.db2.gz USLVYSWEYORPLG-UHOFOFEASA-N 1 1 307.394 2.078 20 5 DEBDMO CN(CC1CC[NH+](C)CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000103462132 637884541 /nfs/dbraw/zinc/88/45/41/637884541.db2.gz MBNCHQCMADYDKQ-UHFFFAOYSA-N 1 1 317.393 2.176 20 5 DEBDMO C[C@H]1C[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000741503161 637990447 /nfs/dbraw/zinc/99/04/47/637990447.db2.gz KEEVLAZRWFQHJS-CMPLNLGQSA-N 1 1 308.407 2.364 20 5 DEBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C[C@@H]2C1 ZINC000895576987 638090185 /nfs/dbraw/zinc/09/01/85/638090185.db2.gz TWAIHMFYKBYMDC-GASCZTMLSA-N 1 1 317.389 2.122 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@H]4C[C@@]4(O)C3)cs2)c1 ZINC000895649159 638125339 /nfs/dbraw/zinc/12/53/39/638125339.db2.gz OKMLFFCAUGTPNJ-IAQYHMDHSA-N 1 1 317.370 2.285 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@H]4C[C@@]4(O)C3)cs2)c1 ZINC000895649159 638125344 /nfs/dbraw/zinc/12/53/44/638125344.db2.gz OKMLFFCAUGTPNJ-IAQYHMDHSA-N 1 1 317.370 2.285 20 5 DEBDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000895663505 638136097 /nfs/dbraw/zinc/13/60/97/638136097.db2.gz QNGKSUHWQJDMNW-UHFFFAOYSA-N 1 1 312.366 2.292 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000744802649 638248329 /nfs/dbraw/zinc/24/83/29/638248329.db2.gz SYUGRIDDRMBUSH-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1C ZINC000896267629 638442949 /nfs/dbraw/zinc/44/29/49/638442949.db2.gz MPBAIYYELBOJIH-CYBMUJFWSA-N 1 1 305.378 2.283 20 5 DEBDMO Cc1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000749258835 638629757 /nfs/dbraw/zinc/62/97/57/638629757.db2.gz ZHFNXIYFYYKQKG-AWEZNQCLSA-N 1 1 305.378 2.204 20 5 DEBDMO COc1ccc([C@@H]2CC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000749883161 638689180 /nfs/dbraw/zinc/68/91/80/638689180.db2.gz DRMZJQMPGKBBCR-CYBMUJFWSA-N 1 1 302.334 2.247 20 5 DEBDMO COc1ccc([C@@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000749883161 638689184 /nfs/dbraw/zinc/68/91/84/638689184.db2.gz DRMZJQMPGKBBCR-CYBMUJFWSA-N 1 1 302.334 2.247 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000728563371 639258481 /nfs/dbraw/zinc/25/84/81/639258481.db2.gz SLJPEADUDNGZEE-LBPRGKRZSA-N 1 1 303.318 2.335 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@H]1C1CC1 ZINC000728563371 639258485 /nfs/dbraw/zinc/25/84/85/639258485.db2.gz SLJPEADUDNGZEE-LBPRGKRZSA-N 1 1 303.318 2.335 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000897232552 639263051 /nfs/dbraw/zinc/26/30/51/639263051.db2.gz QRGGSGGZYYXSDD-OAHLLOKOSA-N 1 1 317.389 2.352 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000754043986 639377327 /nfs/dbraw/zinc/37/73/27/639377327.db2.gz WYQMEIOALZLGNN-LLVKDONJSA-N 1 1 301.350 2.434 20 5 DEBDMO CC(C)[C@H]1CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000755926832 639605343 /nfs/dbraw/zinc/60/53/43/639605343.db2.gz ZHFQBIDJZMXGOG-NSHDSACASA-N 1 1 317.345 2.126 20 5 DEBDMO CC(C)[C@H]1CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000755926832 639605345 /nfs/dbraw/zinc/60/53/45/639605345.db2.gz ZHFQBIDJZMXGOG-NSHDSACASA-N 1 1 317.345 2.126 20 5 DEBDMO CC[N@H+](CCC1CC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000760539076 640204596 /nfs/dbraw/zinc/20/45/96/640204596.db2.gz RXFTWBTWJIPPBR-UHFFFAOYSA-N 1 1 317.345 2.270 20 5 DEBDMO CC[N@@H+](CCC1CC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000760539076 640204613 /nfs/dbraw/zinc/20/46/13/640204613.db2.gz RXFTWBTWJIPPBR-UHFFFAOYSA-N 1 1 317.345 2.270 20 5 DEBDMO CC[N@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CCCC1 ZINC000054521005 640729390 /nfs/dbraw/zinc/72/93/90/640729390.db2.gz HIYRVHCKSFOTAX-UHFFFAOYSA-N 1 1 317.345 2.413 20 5 DEBDMO CC[N@@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CCCC1 ZINC000054521005 640729394 /nfs/dbraw/zinc/72/93/94/640729394.db2.gz HIYRVHCKSFOTAX-UHFFFAOYSA-N 1 1 317.345 2.413 20 5 DEBDMO Cc1c(CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000897547453 640768005 /nfs/dbraw/zinc/76/80/05/640768005.db2.gz VMVKXEOPNJJNNC-CQSZACIVSA-N 1 1 305.378 2.392 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000768841263 641132933 /nfs/dbraw/zinc/13/29/33/641132933.db2.gz JMQUTOWVSUONOP-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000768841263 641132935 /nfs/dbraw/zinc/13/29/35/641132935.db2.gz JMQUTOWVSUONOP-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO Cc1c(CC(=O)OCC[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000769116314 641178061 /nfs/dbraw/zinc/17/80/61/641178061.db2.gz OOORUCYLTXYHKF-UHFFFAOYSA-N 1 1 324.402 2.038 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000769757862 641285888 /nfs/dbraw/zinc/28/58/88/641285888.db2.gz SWQOYHFJTNYNJB-IAQYHMDHSA-N 1 1 321.352 2.290 20 5 DEBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000771416350 641508516 /nfs/dbraw/zinc/50/85/16/641508516.db2.gz DUXFVJWOZNLYPM-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000771416350 641508519 /nfs/dbraw/zinc/50/85/19/641508519.db2.gz DUXFVJWOZNLYPM-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000771896672 641567823 /nfs/dbraw/zinc/56/78/23/641567823.db2.gz OPEVEFBJNQGODX-UHFFFAOYSA-N 1 1 314.301 2.438 20 5 DEBDMO Cc1c(COC(=O)C[N@@H+](C)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000772050388 641592255 /nfs/dbraw/zinc/59/22/55/641592255.db2.gz QPOAAMCGBIRGSV-ZDUSSCGKSA-N 1 1 324.402 2.384 20 5 DEBDMO Cc1c(COC(=O)C[N@H+](C)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000772050388 641592261 /nfs/dbraw/zinc/59/22/61/641592261.db2.gz QPOAAMCGBIRGSV-ZDUSSCGKSA-N 1 1 324.402 2.384 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000898977700 641875723 /nfs/dbraw/zinc/87/57/23/641875723.db2.gz LGMAFCFRSHYIFN-CYBMUJFWSA-N 1 1 305.378 2.426 20 5 DEBDMO C[NH+](C)C1(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000776271338 642151844 /nfs/dbraw/zinc/15/18/44/642151844.db2.gz KYCWMHIRMUTOMU-MRXNPFEDSA-N 1 1 321.421 2.482 20 5 DEBDMO C[N@@H+](CCc1ccccn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272541 642152380 /nfs/dbraw/zinc/15/23/80/642152380.db2.gz VSUMCDKTZQIFEJ-INIZCTEOSA-N 1 1 301.346 2.198 20 5 DEBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000777801531 642307673 /nfs/dbraw/zinc/30/76/73/642307673.db2.gz GIWVCSJWDPFPDM-SECBINFHSA-N 1 1 306.297 2.366 20 5 DEBDMO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000778139534 642342539 /nfs/dbraw/zinc/34/25/39/642342539.db2.gz DJBOGSBGRUQQHF-MRVPVSSYSA-N 1 1 323.740 2.261 20 5 DEBDMO [NH3+]C1CCN(CCc2cc(-c3ccccc3[N+](=O)[O-])no2)CC1 ZINC000901396618 642648283 /nfs/dbraw/zinc/64/82/83/642648283.db2.gz UVYAJVZQSWLVHX-UHFFFAOYSA-N 1 1 316.361 2.215 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@H]4C[C@@]4(CO)C3)co2)cc1 ZINC000782609606 642904458 /nfs/dbraw/zinc/90/44/58/642904458.db2.gz PBDJOAMUDHQHHQ-WBMJQRKESA-N 1 1 315.329 2.064 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H]4C[C@@]4(CO)C3)co2)cc1 ZINC000782609606 642904461 /nfs/dbraw/zinc/90/44/61/642904461.db2.gz PBDJOAMUDHQHHQ-WBMJQRKESA-N 1 1 315.329 2.064 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1Cl ZINC000783677069 643036874 /nfs/dbraw/zinc/03/68/74/643036874.db2.gz GTUMNLTVBBEEJS-NSHDSACASA-N 1 1 307.741 2.287 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](n3cncn3)C2)cc1Cl ZINC000783677069 643036877 /nfs/dbraw/zinc/03/68/77/643036877.db2.gz GTUMNLTVBBEEJS-NSHDSACASA-N 1 1 307.741 2.287 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000783918442 643068137 /nfs/dbraw/zinc/06/81/37/643068137.db2.gz DPUKRTMWWIILKH-NSHDSACASA-N 1 1 316.361 2.290 20 5 DEBDMO Cc1c(C(=O)OC[C@H]2C[N@@H+](C(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000789771302 643773195 /nfs/dbraw/zinc/77/31/95/643773195.db2.gz IMPLJXNCQDACAE-CYBMUJFWSA-N 1 1 322.361 2.169 20 5 DEBDMO O=[N+]([O-])CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000905207809 643831541 /nfs/dbraw/zinc/83/15/41/643831541.db2.gz IUQCTCJNUVJLME-YESZJQIVSA-N 1 1 303.406 2.153 20 5 DEBDMO CCC[N@H+]1CCC[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000906817110 644349551 /nfs/dbraw/zinc/34/95/51/644349551.db2.gz KRJDBUGREWRYFD-OAHLLOKOSA-N 1 1 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UAZXWXXSOFSFND-CYBMUJFWSA-N 1 1 303.362 2.018 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000877437087 690112380 /nfs/dbraw/zinc/11/23/80/690112380.db2.gz VPHURBGRZVTGFH-BONVTDFDSA-N 1 1 305.378 2.297 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000877437087 690112381 /nfs/dbraw/zinc/11/23/81/690112381.db2.gz VPHURBGRZVTGFH-BONVTDFDSA-N 1 1 305.378 2.297 20 5 DEBDMO CCC(=O)N1CCC2(C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001035630307 690135629 /nfs/dbraw/zinc/13/56/29/690135629.db2.gz SJNVXMXJCOWYLN-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000877627585 690172084 /nfs/dbraw/zinc/17/20/84/690172084.db2.gz SIHWTVTVABSZNK-HNNXBMFYSA-N 1 1 319.405 2.118 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879583738 690681223 /nfs/dbraw/zinc/68/12/23/690681223.db2.gz ZPRYLQAPCLPGFX-WFASDCNBSA-N 1 1 305.378 2.129 20 5 DEBDMO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000879707209 690711759 /nfs/dbraw/zinc/71/17/59/690711759.db2.gz FOHJUGBLPBGROG-UHFFFAOYSA-N 1 1 324.377 2.231 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCOc1cccc([N+](=O)[O-])c1 ZINC000880134420 690813281 /nfs/dbraw/zinc/81/32/81/690813281.db2.gz ZABLDOGDENNIOO-HZPDHXFCSA-N 1 1 305.378 2.142 20 5 DEBDMO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000880134420 690813286 /nfs/dbraw/zinc/81/32/86/690813286.db2.gz ZABLDOGDENNIOO-HZPDHXFCSA-N 1 1 305.378 2.142 20 5 DEBDMO CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000880134420 690813287 /nfs/dbraw/zinc/81/32/87/690813287.db2.gz ZABLDOGDENNIOO-HZPDHXFCSA-N 1 1 305.378 2.142 20 5 DEBDMO O=C(CC[N@H+]1CC[C@H](CF)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000880298793 690862840 /nfs/dbraw/zinc/86/28/40/690862840.db2.gz JVLIEVQIYCAWGV-SNVBAGLBSA-N 1 1 313.304 2.354 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000882476530 691289694 /nfs/dbraw/zinc/28/96/94/691289694.db2.gz BHDIKZOQSQQXRT-NSHDSACASA-N 1 1 309.391 2.141 20 5 DEBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000882538610 691307777 /nfs/dbraw/zinc/30/77/77/691307777.db2.gz HAQIFGQXPPRZGX-CYBMUJFWSA-N 1 1 305.378 2.284 20 5 DEBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000882538425 691307888 /nfs/dbraw/zinc/30/78/88/691307888.db2.gz AFVZYLQLWHTIJK-GFCCVEGCSA-N 1 1 323.368 2.423 20 5 DEBDMO COC(=O)[C@]12C[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000886270561 692041095 /nfs/dbraw/zinc/04/10/95/692041095.db2.gz GZYCRZVRUHIKSG-CZUORRHYSA-N 1 1 319.361 2.155 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886561751 692110609 /nfs/dbraw/zinc/11/06/09/692110609.db2.gz HXDUFOROFDIMAO-SDDRHHMPSA-N 1 1 321.402 2.217 20 5 DEBDMO O=C(C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000886828049 692202593 /nfs/dbraw/zinc/20/25/93/692202593.db2.gz WIMHYHBMCNOQKE-WFASDCNBSA-N 1 1 319.361 2.034 20 5 DEBDMO O=C(C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000886828049 692202595 /nfs/dbraw/zinc/20/25/95/692202595.db2.gz WIMHYHBMCNOQKE-WFASDCNBSA-N 1 1 319.361 2.034 20 5 DEBDMO Cc1noc(C[N@H+](C)CCc2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000887093643 692270689 /nfs/dbraw/zinc/27/06/89/692270689.db2.gz QRZLUJYYYLZQAT-UHFFFAOYSA-N 1 1 319.317 2.294 20 5 DEBDMO Cc1noc(C[N@@H+](C)CCc2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000887093643 692270692 /nfs/dbraw/zinc/27/06/92/692270692.db2.gz QRZLUJYYYLZQAT-UHFFFAOYSA-N 1 1 319.317 2.294 20 5 DEBDMO CC[N@@H+](CC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000887402706 692355871 /nfs/dbraw/zinc/35/58/71/692355871.db2.gz HUCPWBWAXJZNBP-LBPRGKRZSA-N 1 1 305.378 2.299 20 5 DEBDMO COC(=O)C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000932108672 694548876 /nfs/dbraw/zinc/54/88/76/694548876.db2.gz ATFODAYFMQJMDN-GHMZBOCLSA-N 1 1 310.325 2.365 20 5 DEBDMO COC(=O)C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000932108672 694548879 /nfs/dbraw/zinc/54/88/79/694548879.db2.gz ATFODAYFMQJMDN-GHMZBOCLSA-N 1 1 310.325 2.365 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000932308995 694590380 /nfs/dbraw/zinc/59/03/80/694590380.db2.gz AUQCATYYAUQSBV-UHOFOFEASA-N 1 1 317.389 2.156 20 5 DEBDMO CCOc1ccc([C@H](C)NC[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000925783327 693340445 /nfs/dbraw/zinc/34/04/45/693340445.db2.gz FDZIUIZQRHTZLI-DYEKYZERSA-N 1 1 307.394 2.500 20 5 DEBDMO CCO[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CN(C)C ZINC000926961639 693536458 /nfs/dbraw/zinc/53/64/58/693536458.db2.gz PQIUZOWEMDYFNC-DOMZBBRYSA-N 1 1 307.394 2.138 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001344497171 1150826649 /nfs/dbraw/zinc/82/66/49/1150826649.db2.gz QRISYGVUZXNMFM-LLVKDONJSA-N 1 1 322.365 2.161 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001344497171 1150826653 /nfs/dbraw/zinc/82/66/53/1150826653.db2.gz QRISYGVUZXNMFM-LLVKDONJSA-N 1 1 322.365 2.161 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001345720161 1150909927 /nfs/dbraw/zinc/90/99/27/1150909927.db2.gz RJSVAZBSXPDNIO-KWCYVHTRSA-N 1 1 318.377 2.365 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001164640700 719169769 /nfs/dbraw/zinc/16/97/69/719169769.db2.gz VMFRKBXMZWBMHA-WDEREUQCSA-N 1 1 301.350 2.067 20 5 DEBDMO C[NH+](C)/C=C/c1cc(N2CC[C@@H]3OCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001167216329 776775156 /nfs/dbraw/zinc/77/51/56/776775156.db2.gz OZBBVVISGXKRPS-ROAXPNGRSA-N 1 1 318.377 2.137 20 5 DEBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084197 784393322 /nfs/dbraw/zinc/39/33/22/784393322.db2.gz HOOBOJDFLLZYSD-QKPAOTATSA-N 1 1 321.421 2.027 20 5 DEBDMO COC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984605 784984581 /nfs/dbraw/zinc/98/45/81/784984581.db2.gz OZGHHKRASFGSEI-XHSDSOJGSA-N 1 1 320.389 2.196 20 5 DEBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169013373 785003810 /nfs/dbraw/zinc/00/38/10/785003810.db2.gz UJWYWZPTZDPFTN-RWMBFGLXSA-N 1 1 313.398 2.031 20 5 DEBDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169042775 785015695 /nfs/dbraw/zinc/01/56/95/785015695.db2.gz FLOPZRXULHBOQE-UPJWGTAASA-N 1 1 313.398 2.331 20 5 DEBDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169042775 785015698 /nfs/dbraw/zinc/01/56/98/785015698.db2.gz FLOPZRXULHBOQE-UPJWGTAASA-N 1 1 313.398 2.331 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3ncnc(C4CC4)c3CC2)C1 ZINC001169025280 785018995 /nfs/dbraw/zinc/01/89/95/785018995.db2.gz SZRSNIKGYXTSJA-JSGCOSHPSA-N 1 1 316.405 2.200 20 5 DEBDMO O=C1Nc2ccccc2[C@]12CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169024850 785019073 /nfs/dbraw/zinc/01/90/73/785019073.db2.gz RNVPKHVBCHYTIO-IIYDPXPESA-N 1 1 315.373 2.028 20 5 DEBDMO C[N@@H+](CC(=O)OCc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169052503 785023067 /nfs/dbraw/zinc/02/30/67/785023067.db2.gz GIKZAGOJCWDOHC-CABCVRRESA-N 1 1 306.362 2.107 20 5 DEBDMO Cc1cccc(O[C@@H]2CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169054510 785024349 /nfs/dbraw/zinc/02/43/49/785024349.db2.gz MHOGQYWONXFECT-SOUVJXGZSA-N 1 1 305.378 2.289 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170353480 786918008 /nfs/dbraw/zinc/91/80/08/786918008.db2.gz YRELOHZHBKRBRG-PVXIVEMSSA-N 1 1 306.362 2.255 20 5 DEBDMO CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)C(=O)OC ZINC001170355928 786918883 /nfs/dbraw/zinc/91/88/83/786918883.db2.gz UOHOITBCILOXMN-RYUDHWBXSA-N 1 1 324.377 2.418 20 5 DEBDMO CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)C(=O)OC ZINC001170355928 786918891 /nfs/dbraw/zinc/91/88/91/786918891.db2.gz UOHOITBCILOXMN-RYUDHWBXSA-N 1 1 324.377 2.418 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)[C@H]2CCOC2)c1F ZINC001173189288 793623466 /nfs/dbraw/zinc/62/34/66/793623466.db2.gz KCSISJBPPHEWJF-QWRGUYRKSA-N 1 1 312.341 2.394 20 5 DEBDMO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173226192 793642540 /nfs/dbraw/zinc/64/25/40/793642540.db2.gz LHPDJCFGJAYTGQ-GXTWGEPZSA-N 1 1 306.362 2.411 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001173228616 793643155 /nfs/dbraw/zinc/64/31/55/793643155.db2.gz YILXSFQQBFQGFG-HIFRSBDPSA-N 1 1 319.405 2.326 20 5 DEBDMO CC[N@H+]1C[C@H]2CN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001173238396 793657015 /nfs/dbraw/zinc/65/70/15/793657015.db2.gz RFHYBMOTIPLDDW-BMFZPTHFSA-N 1 1 303.406 2.409 20 5 DEBDMO CC[N@@H+]1C[C@H]2CN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001173238396 793657016 /nfs/dbraw/zinc/65/70/16/793657016.db2.gz RFHYBMOTIPLDDW-BMFZPTHFSA-N 1 1 303.406 2.409 20 5 DEBDMO C[C@H](C(=O)NCc1c[nH+]c2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC001177740125 794739216 /nfs/dbraw/zinc/73/92/16/794739216.db2.gz BGKQBRREOJODCA-NSHDSACASA-N 1 1 314.345 2.157 20 5 DEBDMO Nc1cc[nH+]c(-c2cc(Nc3ccc([N+](=O)[O-])nc3)ccn2)c1 ZINC001203566904 795864666 /nfs/dbraw/zinc/86/46/66/795864666.db2.gz UOHXTFMSOVMTAX-UHFFFAOYSA-N 1 1 308.301 2.195 20 5 DEBDMO CCc1cc(N2CC[C@@H]2[NH2+]C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001156660891 798056700 /nfs/dbraw/zinc/05/67/00/798056700.db2.gz SDVYXRNRCNOZHX-CQSZACIVSA-N 1 1 313.361 2.370 20 5 DEBDMO C[NH2+][C@H]1CCN1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001156660607 798057289 /nfs/dbraw/zinc/05/72/89/798057289.db2.gz PSMLMVDPQSTRDZ-CYBMUJFWSA-N 1 1 319.752 2.461 20 5 DEBDMO COc1cc(C)nc(N2CC[C@H]([N@@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157009584 798127750 /nfs/dbraw/zinc/12/77/50/798127750.db2.gz KRASRRLHFYHYTB-LBPRGKRZSA-N 1 1 308.382 2.226 20 5 DEBDMO CCC[N@@H+]1C[C@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C[C@H]2C1 ZINC001157689971 798257934 /nfs/dbraw/zinc/25/79/34/798257934.db2.gz BYOZYYGYOZPMKD-TXEJJXNPSA-N 1 1 315.377 2.249 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001198166003 798291407 /nfs/dbraw/zinc/29/14/07/798291407.db2.gz XKIMXBBJNMCIOF-LBPRGKRZSA-N 1 1 314.345 2.383 20 5 DEBDMO CCOC(=O)c1ccnc(N[C@@]2(C)CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001162340988 799066851 /nfs/dbraw/zinc/06/68/51/799066851.db2.gz YCABDIVBVJBQQV-HNNXBMFYSA-N 1 1 322.365 2.063 20 5 DEBDMO COc1cc(NCC[C@H]2CC[NH2+]CC2(F)F)ncc1[N+](=O)[O-] ZINC001162809907 799180677 /nfs/dbraw/zinc/18/06/77/799180677.db2.gz GMCMAUYOJYFJBV-SECBINFHSA-N 1 1 316.308 2.045 20 5 DEBDMO COC1CC(CNc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001162993632 799216753 /nfs/dbraw/zinc/21/67/53/799216753.db2.gz MTZXDLNKTGLVKC-SNAWJCMRSA-N 1 1 306.366 2.359 20 5 DEBDMO CC[N@@H+](CCNc1nn(C)cc1[N+](=O)[O-])CCC(F)(F)F ZINC001163037540 799228372 /nfs/dbraw/zinc/22/83/72/799228372.db2.gz VRNWHUQTSWPKAW-UHFFFAOYSA-N 1 1 309.292 2.015 20 5 DEBDMO CCOC(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000932642103 799871181 /nfs/dbraw/zinc/87/11/81/799871181.db2.gz CDDCRRHXAWQNNE-SNVBAGLBSA-N 1 1 319.317 2.121 20 5 DEBDMO CCOC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000932642103 799871188 /nfs/dbraw/zinc/87/11/88/799871188.db2.gz CDDCRRHXAWQNNE-SNVBAGLBSA-N 1 1 319.317 2.121 20 5 DEBDMO CCOC(=O)[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000932643052 799874132 /nfs/dbraw/zinc/87/41/32/799874132.db2.gz AYCZWCUCHXJJBX-ZDUSSCGKSA-N 1 1 322.361 2.249 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933056865 800001427 /nfs/dbraw/zinc/00/14/27/800001427.db2.gz UFHOOHPMZWEYGF-AWEZNQCLSA-N 1 1 324.352 2.240 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000933623515 800140630 /nfs/dbraw/zinc/14/06/30/800140630.db2.gz NEEKUNFMKYOHAL-OAHLLOKOSA-N 1 1 305.378 2.126 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@H]2C[C@@H]2CCCO2)cc1 ZINC000933672529 800157644 /nfs/dbraw/zinc/15/76/44/800157644.db2.gz BCZRSBJFKHQGOG-SJORKVTESA-N 1 1 320.389 2.407 20 5 DEBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000933750497 800177712 /nfs/dbraw/zinc/17/77/12/800177712.db2.gz UVJZBBCCHLCWEY-NHYWBVRUSA-N 1 1 323.780 2.336 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000934116006 800264952 /nfs/dbraw/zinc/26/49/52/800264952.db2.gz DLERFSWQRUBAJT-LSDHHAIUSA-N 1 1 321.377 2.341 20 5 DEBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)c1 ZINC000934217479 800293918 /nfs/dbraw/zinc/29/39/18/800293918.db2.gz DSBGVJNGMGCCHB-CXAGYDPISA-N 1 1 314.341 2.427 20 5 DEBDMO CCOc1ccc(CC[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000934722604 800435614 /nfs/dbraw/zinc/43/56/14/800435614.db2.gz UZWJJRWKMWBEFB-UHFFFAOYSA-N 1 1 318.377 2.365 20 5 DEBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935091577 800557305 /nfs/dbraw/zinc/55/73/05/800557305.db2.gz ZENLDZKMUCERDB-KOZAUXTDSA-N 1 1 317.389 2.249 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000935192093 800590034 /nfs/dbraw/zinc/59/00/34/800590034.db2.gz YAOSQBMEBDVTEN-RYUDHWBXSA-N 1 1 323.368 2.218 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000935215335 800597220 /nfs/dbraw/zinc/59/72/20/800597220.db2.gz XCLWWELIVOSGRV-GUYJKWIASA-N 1 1 317.389 2.249 20 5 DEBDMO Nc1cc[nH+]c(-c2cc(Nc3ccc(N)c([N+](=O)[O-])c3)ccn2)c1 ZINC001209933791 801309484 /nfs/dbraw/zinc/30/94/84/801309484.db2.gz DQWLPRSEKIBAOE-UHFFFAOYSA-N 1 1 322.328 2.382 20 5 DEBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1OC1CC[NH+](CCF)CC1 ZINC001230313060 801385018 /nfs/dbraw/zinc/38/50/18/801385018.db2.gz TYRZIQHDSUEFED-UHFFFAOYSA-N 1 1 313.285 2.316 20 5 DEBDMO C[N@H+]1CC[C@@H](Oc2cccc(Br)c2[N+](=O)[O-])C1 ZINC001230323882 801386825 /nfs/dbraw/zinc/38/68/25/801386825.db2.gz YBPCMCCYNFOIBC-MRVPVSSYSA-N 1 1 301.140 2.440 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231053301 801564687 /nfs/dbraw/zinc/56/46/87/801564687.db2.gz OKSLWRQGGGWRFO-LLVKDONJSA-N 1 1 302.334 2.400 20 5 DEBDMO CCCCCC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223114975 802766788 /nfs/dbraw/zinc/76/67/88/802766788.db2.gz ZMYWDJPEJFPWQJ-HUUCEWRRSA-N 1 1 311.426 2.060 20 5 DEBDMO Cc1ccc(CO[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)cc1[N+](=O)[O-] ZINC001223226856 802775084 /nfs/dbraw/zinc/77/50/84/802775084.db2.gz YFGUVAUQQFHDEC-MAZHCROVSA-N 1 1 304.346 2.224 20 5 DEBDMO CC[N@H+]1CCC[C@H](O[C@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223648075 802806507 /nfs/dbraw/zinc/80/65/07/802806507.db2.gz LVOYQYONEBORTC-WFASDCNBSA-N 1 1 322.361 2.310 20 5 DEBDMO COC(=O)c1cc(CO[C@@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001223688566 802809145 /nfs/dbraw/zinc/80/91/45/802809145.db2.gz OVHLENLXTKKYCU-OAHLLOKOSA-N 1 1 322.361 2.381 20 5 DEBDMO O=[N+]([O-])c1cnc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)nc1 ZINC001226733045 803150798 /nfs/dbraw/zinc/15/07/98/803150798.db2.gz FJQOUPIURZNTLI-ZDUSSCGKSA-N 1 1 311.301 2.082 20 5 DEBDMO COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001227540778 803250188 /nfs/dbraw/zinc/25/01/88/803250188.db2.gz CLHQCEHMAVMIGU-SECBINFHSA-N 1 1 314.363 2.306 20 5 DEBDMO O=[N+]([O-])c1cncnc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001228657387 803388596 /nfs/dbraw/zinc/38/85/96/803388596.db2.gz PCLLNIFHUCMWRQ-ZDUSSCGKSA-N 1 1 300.318 2.038 20 5 DEBDMO CC[NH+](CC)CCC[NH2+][C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001596265893 983684966 /nfs/dbraw/zinc/68/49/66/983684966.db2.gz STCFHYFXNRWDMO-INIZCTEOSA-N 1 1 323.393 2.216 20 5 DEBDMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC001459840759 1058224073 /nfs/dbraw/zinc/22/40/73/1058224073.db2.gz PRDCPDCVBRLWNC-JTQLQIEISA-N 1 1 317.349 2.138 20 5 DEBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)C1N=NC(=O)N1C ZINC001462392890 1058814287 /nfs/dbraw/zinc/81/42/87/1058814287.db2.gz HNBJQMWXAUQREH-BRNRAETOSA-N 1 1 317.349 2.183 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC001470074114 1060046240 /nfs/dbraw/zinc/04/62/40/1060046240.db2.gz XPKUVOUNCNFEJY-GFCCVEGCSA-N 1 1 320.393 2.148 20 5 DEBDMO C/C=C(\C)C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001494541128 1064307101 /nfs/dbraw/zinc/30/71/01/1064307101.db2.gz KWCRZQNMRHYXPA-KGVSQERTSA-N 1 1 303.362 2.109 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC001625432901 1078244626 /nfs/dbraw/zinc/24/46/26/1078244626.db2.gz VZOVLTCEMCXYEY-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C[N@H+]2C1 ZINC001625754321 1078250990 /nfs/dbraw/zinc/25/09/90/1078250990.db2.gz IRVCLTQGXLNKQY-NQBHXWOUSA-N 1 1 318.377 2.236 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000044564344 1078341236 /nfs/dbraw/zinc/34/12/36/1078341236.db2.gz INGKTZSFOMYKOR-LLVKDONJSA-N 1 1 311.769 2.462 20 5 DEBDMO CC[N@H+]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001638379801 1078561811 /nfs/dbraw/zinc/56/18/11/1078561811.db2.gz PILGOBZGUHIYSB-OLZOCXBDSA-N 1 1 320.393 2.391 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC001640548876 1078667210 /nfs/dbraw/zinc/66/72/10/1078667210.db2.gz HLHCDGSEZHAPJT-LBPRGKRZSA-N 1 1 308.382 2.307 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001514832792 1068789688 /nfs/dbraw/zinc/78/96/88/1068789688.db2.gz ZYYDKMNJXUMOHK-JOZWUWCOSA-N 1 1 303.362 2.209 20 5 DEBDMO Nc1cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001515909875 1068905270 /nfs/dbraw/zinc/90/52/70/1068905270.db2.gz XDDSEIKAFUBGJY-LBPRGKRZSA-N 1 1 305.382 2.106 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC001644824092 1078864748 /nfs/dbraw/zinc/86/47/48/1078864748.db2.gz CJPHTDANIIVZPC-KGLIPLIRSA-N 1 1 321.352 2.351 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)n1 ZINC001542296170 1072456296 /nfs/dbraw/zinc/45/62/96/1072456296.db2.gz OBZXGTMRPBYZOQ-YPMHNXCESA-N 1 1 320.393 2.148 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC(=O)N(C(C)C)C1 ZINC001647021714 1074771672 /nfs/dbraw/zinc/77/16/72/1074771672.db2.gz CJWMEPASIAZWRH-CYBMUJFWSA-N 1 1 321.377 2.092 20 5 DEBDMO Cc1c[nH+]cn1CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001584645231 1076312774 /nfs/dbraw/zinc/31/27/74/1076312774.db2.gz TUEAKIZUBFEDRM-UHFFFAOYSA-N 1 1 311.301 2.287 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC001585026150 1076334734 /nfs/dbraw/zinc/33/47/34/1076334734.db2.gz VAZQETOEBKFXKE-ZFWWWQNUSA-N 1 1 318.377 2.045 20 5 DEBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590261357 1076603909 /nfs/dbraw/zinc/60/39/09/1076603909.db2.gz NAAYFRNRXCIJRJ-WDEREUQCSA-N 1 1 316.365 2.395 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001620945181 1077050110 /nfs/dbraw/zinc/05/01/10/1077050110.db2.gz WSCDKBQSAYOIRA-RYUDHWBXSA-N 1 1 321.377 2.206 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC001608172930 1077602370 /nfs/dbraw/zinc/60/23/70/1077602370.db2.gz WLQWKXGEHGSICQ-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(C)(C)C ZINC001609225531 1077807582 /nfs/dbraw/zinc/80/75/82/1077807582.db2.gz MJFFUMBKZYGYPW-UHFFFAOYSA-N 1 1 304.354 2.395 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001653215572 1079917253 /nfs/dbraw/zinc/91/72/53/1079917253.db2.gz XGOTWLUVDQOYJE-GFCCVEGCSA-N 1 1 306.366 2.298 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001654915981 1079981149 /nfs/dbraw/zinc/98/11/49/1079981149.db2.gz SNAMWMURGFWJPP-CYBMUJFWSA-N 1 1 314.345 2.383 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nn(C)cc2[N+](=O)[O-])C1 ZINC001655149597 1079988088 /nfs/dbraw/zinc/98/80/88/1079988088.db2.gz OYHBXGFBQVIWLY-ZIAGYGMSSA-N 1 1 321.425 2.419 20 5 DEBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nn(C)cc2[N+](=O)[O-])C1 ZINC001655149594 1079988562 /nfs/dbraw/zinc/98/85/62/1079988562.db2.gz 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ZINC000601020930 359896837 /nfs/dbraw/zinc/89/68/37/359896837.db2.gz JZSOKBJZHSKZTH-NSHDSACASA-N 1 1 309.341 2.196 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCCO[C@H]3CCOC3)c2c1 ZINC000601128919 359932754 /nfs/dbraw/zinc/93/27/54/359932754.db2.gz HDYMULJRRXBZIA-ZDUSSCGKSA-N 1 1 317.345 2.172 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601354620 360015394 /nfs/dbraw/zinc/01/53/94/360015394.db2.gz BKUKKRIGACEMKQ-UHFFFAOYSA-N 1 1 320.324 2.401 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000601299477 359999611 /nfs/dbraw/zinc/99/96/11/359999611.db2.gz LTRUFCUNVCXLMO-UWVGGRQHSA-N 1 1 307.325 2.089 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccns3)C2)nc1 ZINC000602475390 360393262 /nfs/dbraw/zinc/39/32/62/360393262.db2.gz VQWZKOGYNZDIMT-JTQLQIEISA-N 1 1 305.363 2.133 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccns3)C2)nc1 ZINC000602475390 360393265 /nfs/dbraw/zinc/39/32/65/360393265.db2.gz VQWZKOGYNZDIMT-JTQLQIEISA-N 1 1 305.363 2.133 20 5 DEBDMO C[C@@H](CN(C)C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602654284 360476959 /nfs/dbraw/zinc/47/69/59/360476959.db2.gz LNKIJKKLFADVRL-ZETCQYMHSA-N 1 1 322.228 2.459 20 5 DEBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602783903 360551870 /nfs/dbraw/zinc/55/18/70/360551870.db2.gz HRPKKQMFODUVBX-KGLIPLIRSA-N 1 1 322.409 2.379 20 5 DEBDMO CC[C@@]1(O)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000602983836 360655516 /nfs/dbraw/zinc/65/55/16/360655516.db2.gz VGLGTAPHIOGXDS-MRXNPFEDSA-N 1 1 321.377 2.079 20 5 DEBDMO CC[C@@]1(O)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000602983836 360655522 /nfs/dbraw/zinc/65/55/22/360655522.db2.gz VGLGTAPHIOGXDS-MRXNPFEDSA-N 1 1 321.377 2.079 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000272014563 209383405 /nfs/dbraw/zinc/38/34/05/209383405.db2.gz UISOPOMKMGUKOC-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO CCc1ccc(C(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000271897007 209305638 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DEBDMO CN(c1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+](C)C1 ZINC000611705532 361661827 /nfs/dbraw/zinc/66/18/27/361661827.db2.gz FNBFVRAWKXFGPX-LBPRGKRZSA-N 1 1 301.350 2.068 20 5 DEBDMO CC[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCO1 ZINC000619613152 363839882 /nfs/dbraw/zinc/83/98/82/363839882.db2.gz OZDJGROZUYQKAP-ZDUSSCGKSA-N 1 1 322.361 2.367 20 5 DEBDMO CC[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCO1 ZINC000619613152 363839886 /nfs/dbraw/zinc/83/98/86/363839886.db2.gz OZDJGROZUYQKAP-ZDUSSCGKSA-N 1 1 322.361 2.367 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451734693 243384486 /nfs/dbraw/zinc/38/44/86/243384486.db2.gz CGNYJKMCPVIYKJ-GFCCVEGCSA-N 1 1 317.393 2.387 20 5 DEBDMO C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093433876 193250912 /nfs/dbraw/zinc/25/09/12/193250912.db2.gz ZGCOPOZQLXHIGM-MRVPVSSYSA-N 1 1 315.171 2.116 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000264676316 204071898 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20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273468181 403007350 /nfs/dbraw/zinc/00/73/50/403007350.db2.gz NXFGMLCRRJVAOT-NSHDSACASA-N 1 1 310.329 2.340 20 5 DEBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cn1)[N@H+]1CCc2ccccc2C1 ZINC000273558365 403015267 /nfs/dbraw/zinc/01/52/67/403015267.db2.gz BGIPTVQSZWWHHO-LBPRGKRZSA-N 1 1 313.361 2.244 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000266739727 402987502 /nfs/dbraw/zinc/98/75/02/402987502.db2.gz MYBHZUMSQSHIQA-SWLSCSKDSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000266739727 402987504 /nfs/dbraw/zinc/98/75/04/402987504.db2.gz MYBHZUMSQSHIQA-SWLSCSKDSA-N 1 1 321.377 2.077 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000268189595 403059953 /nfs/dbraw/zinc/05/99/53/403059953.db2.gz MRAHVAMNULYQLU-XPTSAGLGSA-N 1 1 323.780 2.461 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000268260318 403067867 /nfs/dbraw/zinc/06/78/67/403067867.db2.gz ZARRTAKWXMPOPM-ZANVPECISA-N 1 1 323.780 2.461 20 5 DEBDMO CCc1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268280126 403070056 /nfs/dbraw/zinc/07/00/56/403070056.db2.gz XAOQUWGBLSSSIZ-ABAIWWIYSA-N 1 1 317.389 2.370 20 5 DEBDMO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ncn(C)n1 ZINC000275633033 403111067 /nfs/dbraw/zinc/11/10/67/403111067.db2.gz BQABUNXROHKAIQ-NWDGAFQWSA-N 1 1 303.366 2.395 20 5 DEBDMO CC(C)C[NH+]1CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269301364 403129429 /nfs/dbraw/zinc/12/94/29/403129429.db2.gz UMOBKDQDRLOQPM-UHFFFAOYSA-N 1 1 321.377 2.151 20 5 DEBDMO O=[N+]([O-])c1cc2ccccc2nc1NCCC[NH+]1CCOCC1 ZINC000276579682 403188342 /nfs/dbraw/zinc/18/83/42/403188342.db2.gz IFNOBIJIBCGQNI-UHFFFAOYSA-N 1 1 316.361 2.277 20 5 DEBDMO CCC[C@]1(CO)CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000277825314 403261222 /nfs/dbraw/zinc/26/12/22/403261222.db2.gz RBUMDNSKTIVGKZ-HZPDHXFCSA-N 1 1 308.378 2.255 20 5 DEBDMO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1O ZINC000271234762 403282530 /nfs/dbraw/zinc/28/25/30/403282530.db2.gz ATCMMSAIZNNOOY-BXKDBHETSA-N 1 1 316.304 2.399 20 5 DEBDMO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1O ZINC000271234762 403282531 /nfs/dbraw/zinc/28/25/31/403282531.db2.gz ATCMMSAIZNNOOY-BXKDBHETSA-N 1 1 316.304 2.399 20 5 DEBDMO CCCCNC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285384774 403284719 /nfs/dbraw/zinc/28/47/19/403284719.db2.gz RXXDXZIJEPZTHW-CYBMUJFWSA-N 1 1 307.394 2.374 20 5 DEBDMO CCCCNC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285384774 403284721 /nfs/dbraw/zinc/28/47/21/403284721.db2.gz RXXDXZIJEPZTHW-CYBMUJFWSA-N 1 1 307.394 2.374 20 5 DEBDMO COc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292083426 403286576 /nfs/dbraw/zinc/28/65/76/403286576.db2.gz FZOFXAIGVZLPAL-INIZCTEOSA-N 1 1 305.378 2.131 20 5 DEBDMO CO[C@H](C)C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285695107 403358703 /nfs/dbraw/zinc/35/87/03/403358703.db2.gz NXVGSQXPVFWKJE-SNVBAGLBSA-N 1 1 306.322 2.112 20 5 DEBDMO CO[C@H](C)C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285695107 403358708 /nfs/dbraw/zinc/35/87/08/403358708.db2.gz NXVGSQXPVFWKJE-SNVBAGLBSA-N 1 1 306.322 2.112 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000298083924 403317704 /nfs/dbraw/zinc/31/77/04/403317704.db2.gz OAGHKZJLRAWFHE-UHFFFAOYSA-N 1 1 323.418 2.485 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342918949 403396100 /nfs/dbraw/zinc/39/61/00/403396100.db2.gz GEJLMMUFAKXEAY-UHFFFAOYSA-N 1 1 316.361 2.244 20 5 DEBDMO CC[C@]1(CO)CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298586047 403418982 /nfs/dbraw/zinc/41/89/82/403418982.db2.gz RHSRAWPMOOMKJV-MRXNPFEDSA-N 1 1 321.377 2.160 20 5 DEBDMO O=C(CC[N@@H+]1CCC[C@@H](CO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000339753388 403439414 /nfs/dbraw/zinc/43/94/14/403439414.db2.gz MBQGLQVSZMLJIE-CYBMUJFWSA-N 1 1 321.377 2.018 20 5 DEBDMO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)[N@@H+]1C ZINC000293375747 403456226 /nfs/dbraw/zinc/45/62/26/403456226.db2.gz JMCQMWBAOCWWOA-PHIMTYICSA-N 1 1 304.350 2.260 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000286213413 403474154 /nfs/dbraw/zinc/47/41/54/403474154.db2.gz QPMCMUNRBIODBJ-CABCVRRESA-N 1 1 302.334 2.188 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000286213413 403474157 /nfs/dbraw/zinc/47/41/57/403474157.db2.gz QPMCMUNRBIODBJ-CABCVRRESA-N 1 1 302.334 2.188 20 5 DEBDMO Cc1ccc(NC(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000332240925 403526850 /nfs/dbraw/zinc/52/68/50/403526850.db2.gz AAIPNIOZVWTGOH-AWEZNQCLSA-N 1 1 310.329 2.069 20 5 DEBDMO CO[C@@]1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332195048 403510676 /nfs/dbraw/zinc/51/06/76/403510676.db2.gz CGMBOFQRFABKEP-HNNXBMFYSA-N 1 1 304.350 2.472 20 5 DEBDMO CO[C@@]1(C)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332195048 403510681 /nfs/dbraw/zinc/51/06/81/403510681.db2.gz CGMBOFQRFABKEP-HNNXBMFYSA-N 1 1 304.350 2.472 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000293852612 403580880 /nfs/dbraw/zinc/58/08/80/403580880.db2.gz DESCUFMKEUGFKQ-CQSZACIVSA-N 1 1 309.391 2.214 20 5 DEBDMO CCNc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343424038 403583492 /nfs/dbraw/zinc/58/34/92/403583492.db2.gz CDUNEPFLBDMXIT-YPMHNXCESA-N 1 1 320.393 2.239 20 5 DEBDMO CC[C@@H](C)[N@@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000287492271 403610359 /nfs/dbraw/zinc/61/03/59/403610359.db2.gz SUHMITYRSSOVDM-CYBMUJFWSA-N 1 1 323.393 2.325 20 5 DEBDMO COc1ccncc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293986072 403616700 /nfs/dbraw/zinc/61/67/00/403616700.db2.gz BRHRKTFUHUMINW-JTQLQIEISA-N 1 1 302.334 2.431 20 5 DEBDMO CCOc1cc(NC[C@H](C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000301527917 403642536 /nfs/dbraw/zinc/64/25/36/403642536.db2.gz OBEIIBOJUYLLLP-ZDUSSCGKSA-N 1 1 322.409 2.041 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000343608132 403660879 /nfs/dbraw/zinc/66/08/79/403660879.db2.gz ZMFYSQODCUWVDQ-OAHLLOKOSA-N 1 1 321.377 2.424 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000347340637 403670910 /nfs/dbraw/zinc/67/09/10/403670910.db2.gz PDXCMNWSYSJRBN-OOXMNIKJSA-N 1 1 320.389 2.471 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000343633613 403671779 /nfs/dbraw/zinc/67/17/79/403671779.db2.gz UIZKYIFJEIQXFC-LBPRGKRZSA-N 1 1 321.377 2.208 20 5 DEBDMO CCOc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000301774723 403677784 /nfs/dbraw/zinc/67/77/84/403677784.db2.gz QJCIYYPBZVVLCK-IAQYHMDHSA-N 1 1 309.366 2.125 20 5 DEBDMO CCOc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000301774723 403677787 /nfs/dbraw/zinc/67/77/87/403677787.db2.gz QJCIYYPBZVVLCK-IAQYHMDHSA-N 1 1 309.366 2.125 20 5 DEBDMO C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000287952024 403698147 /nfs/dbraw/zinc/69/81/47/403698147.db2.gz QLQSWSLYRUSGTI-MRVPVSSYSA-N 1 1 307.379 2.494 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000343750640 403718440 /nfs/dbraw/zinc/71/84/40/403718440.db2.gz OAZQEDGKESVKMF-ZIAGYGMSSA-N 1 1 306.362 2.066 20 5 DEBDMO CC(C)CC[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305078432 403822684 /nfs/dbraw/zinc/82/26/84/403822684.db2.gz LVACUZWUNUWYBB-HOCLYGCPSA-N 1 1 324.425 2.443 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000347775992 403861752 /nfs/dbraw/zinc/86/17/52/403861752.db2.gz KVMDTXWDUDRDQB-AWEZNQCLSA-N 1 1 305.378 2.128 20 5 DEBDMO O=[N+]([O-])c1cccnc1N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000361810556 403880740 /nfs/dbraw/zinc/88/07/40/403880740.db2.gz DPVPMUMHZOTTCF-CHWSQXEVSA-N 1 1 306.366 2.045 20 5 DEBDMO CO[C@H](C)C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289260475 403887428 /nfs/dbraw/zinc/88/74/28/403887428.db2.gz FRIYPZPIPLAIJN-GFCCVEGCSA-N 1 1 318.377 2.462 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000368871820 403888057 /nfs/dbraw/zinc/88/80/57/403888057.db2.gz CILBUCFKVZXCHS-AWEZNQCLSA-N 1 1 317.349 2.032 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000368871820 403888070 /nfs/dbraw/zinc/88/80/70/403888070.db2.gz CILBUCFKVZXCHS-AWEZNQCLSA-N 1 1 317.349 2.032 20 5 DEBDMO C[C@@H]1[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CCC[N@H+]1C ZINC000347881898 403928435 /nfs/dbraw/zinc/92/84/35/403928435.db2.gz PARZPDVQPDOEOK-GHMZBOCLSA-N 1 1 301.350 2.433 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000289442524 403966379 /nfs/dbraw/zinc/96/63/79/403966379.db2.gz OMUYIMCSUJVLON-LSDHHAIUSA-N 1 1 320.389 2.457 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281498594 292295497 /nfs/dbraw/zinc/29/54/97/292295497.db2.gz XXTKYFCSDHUHDM-JMSVASOKSA-N 1 1 319.361 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406777966 /nfs/dbraw/zinc/77/79/66/406777966.db2.gz YECBVIPGEQXGDJ-URWSZGRFSA-N 1 1 303.362 2.066 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000491925867 406780006 /nfs/dbraw/zinc/78/00/06/406780006.db2.gz OZSMOORVSMIINK-YBJDMEARSA-N 1 1 303.362 2.066 20 5 DEBDMO C[C@@H](C[NH+]1CCOCC1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000296633258 226070354 /nfs/dbraw/zinc/07/03/54/226070354.db2.gz VUUWTFXLLSHZEQ-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291311706 222304703 /nfs/dbraw/zinc/30/47/03/222304703.db2.gz RRJNZBBKFJFFHK-CYBMUJFWSA-N 1 1 317.305 2.147 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291311706 222304706 /nfs/dbraw/zinc/30/47/06/222304706.db2.gz RRJNZBBKFJFFHK-CYBMUJFWSA-N 1 1 317.305 2.147 20 5 DEBDMO O=[N+]([O-])c1cnc(NCCc2cn3c([nH+]2)CCCC3)c(F)c1 ZINC000413035016 228266607 /nfs/dbraw/zinc/26/66/07/228266607.db2.gz BVOBEFASFQOVSW-UHFFFAOYSA-N 1 1 305.313 2.316 20 5 DEBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1 ZINC000299224629 229004906 /nfs/dbraw/zinc/00/49/06/229004906.db2.gz AWTPIQZTJYFFLM-CABCVRRESA-N 1 1 303.362 2.260 20 5 DEBDMO C[C@@H]1C[C@H](C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000422625819 230157875 /nfs/dbraw/zinc/15/78/75/230157875.db2.gz COWQMRIZSNAOPU-RDBSUJKOSA-N 1 1 307.394 2.279 20 5 DEBDMO C[C@@H]1C[C@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000422625819 230157878 /nfs/dbraw/zinc/15/78/78/230157878.db2.gz COWQMRIZSNAOPU-RDBSUJKOSA-N 1 1 307.394 2.279 20 5 DEBDMO C[C@H](c1nccc(N)n1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000571698612 424932688 /nfs/dbraw/zinc/93/26/88/424932688.db2.gz ULMGDNSGTALXQN-LLVKDONJSA-N 1 1 301.350 2.203 20 5 DEBDMO C[C@H](c1nccc(N)n1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000571698612 424932690 /nfs/dbraw/zinc/93/26/90/424932690.db2.gz ULMGDNSGTALXQN-LLVKDONJSA-N 1 1 301.350 2.203 20 5 DEBDMO O=[N+]([O-])c1ccc2c(ccnc2NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000590685399 424998363 /nfs/dbraw/zinc/99/83/63/424998363.db2.gz IVOMFGXQSKQBOA-GFCCVEGCSA-N 1 1 312.373 3.039 20 5 DEBDMO CC[N@@H+](CCNc1nc2ccccc2cc1[N+](=O)[O-])C1CC1 ZINC000352356254 425045150 /nfs/dbraw/zinc/04/51/50/425045150.db2.gz LKOKBLFWRBKYTC-UHFFFAOYSA-N 1 1 300.362 3.039 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000611222076 425079951 /nfs/dbraw/zinc/07/99/51/425079951.db2.gz XBXZFJHTWKOWPR-VHSXEESVSA-N 1 1 309.395 2.223 20 5 DEBDMO COc1cc(C[N@@H+]2CCOC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000359885252 269042819 /nfs/dbraw/zinc/04/28/19/269042819.db2.gz ZCLNXTVEPYGPHE-LLVKDONJSA-N 1 1 310.350 2.080 20 5 DEBDMO COc1cc(C[N@H+]2CCOC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000359885252 269042820 /nfs/dbraw/zinc/04/28/20/269042820.db2.gz ZCLNXTVEPYGPHE-LLVKDONJSA-N 1 1 310.350 2.080 20 5 DEBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000349279751 274246690 /nfs/dbraw/zinc/24/66/90/274246690.db2.gz ONZJJADCMQYGAZ-SNVBAGLBSA-N 1 1 304.306 2.262 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272370781 277141600 /nfs/dbraw/zinc/14/16/00/277141600.db2.gz GOPVWHLRLWCAEX-RISCZKNCSA-N 1 1 304.350 2.153 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000493240760 277182515 /nfs/dbraw/zinc/18/25/15/277182515.db2.gz XBFMEQFZKXRXHM-ABAIWWIYSA-N 1 1 321.352 2.290 20 5 DEBDMO CC(C)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000352927722 278024592 /nfs/dbraw/zinc/02/45/92/278024592.db2.gz AMUFAIGUVYKURX-GFCCVEGCSA-N 1 1 305.378 2.494 20 5 DEBDMO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000352927722 278024594 /nfs/dbraw/zinc/02/45/94/278024594.db2.gz AMUFAIGUVYKURX-GFCCVEGCSA-N 1 1 305.378 2.494 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](N2CCOCC2)[C@@H]1C ZINC000352020188 278313090 /nfs/dbraw/zinc/31/30/90/278313090.db2.gz XPOVNKIYLGPBIF-IJEWVQPXSA-N 1 1 319.405 2.451 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192556172 279282240 /nfs/dbraw/zinc/28/22/40/279282240.db2.gz YEUSQGRRUKOAFX-LBPRGKRZSA-N 1 1 321.377 2.208 20 5 DEBDMO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000068218647 279344653 /nfs/dbraw/zinc/34/46/53/279344653.db2.gz LHXSNCXQQGQQFV-SECBINFHSA-N 1 1 311.769 2.461 20 5 DEBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000048088026 281458959 /nfs/dbraw/zinc/45/89/59/281458959.db2.gz LKSUOVAJHFWRML-LLVKDONJSA-N 1 1 319.317 2.348 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000346687313 290267692 /nfs/dbraw/zinc/26/76/92/290267692.db2.gz LVKXDODUTZPSRO-REJLFOLJSA-N 1 1 303.362 2.242 20 5 DEBDMO Cc1cnc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488718533 302350508 /nfs/dbraw/zinc/35/05/08/302350508.db2.gz HGKZYWCETGNKFS-HZSPNIEDSA-N 1 1 304.394 2.465 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001350138797 1151327488 /nfs/dbraw/zinc/32/74/88/1151327488.db2.gz QDOCLNIYYXKKNQ-AWEZNQCLSA-N 1 1 320.393 2.223 20 5 DEBDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000573860876 326099862 /nfs/dbraw/zinc/09/98/62/326099862.db2.gz PHBVHHQUDYJBJR-LBPRGKRZSA-N 1 1 301.350 2.021 20 5 DEBDMO Cc1ccnc([C@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000573860876 326099863 /nfs/dbraw/zinc/09/98/63/326099863.db2.gz PHBVHHQUDYJBJR-LBPRGKRZSA-N 1 1 301.350 2.021 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2CC)c1 ZINC000576325731 326285165 /nfs/dbraw/zinc/28/51/65/326285165.db2.gz VBQCCZOPBINWDH-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2CC)c1 ZINC000576325731 326285166 /nfs/dbraw/zinc/28/51/66/326285166.db2.gz VBQCCZOPBINWDH-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CSc1cccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000188149191 333038096 /nfs/dbraw/zinc/03/80/96/333038096.db2.gz OJLKLKGTEMHTSZ-LLVKDONJSA-N 1 1 323.418 2.388 20 5 DEBDMO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000356321030 524456906 /nfs/dbraw/zinc/45/69/06/524456906.db2.gz FWQPVPOUIBTOQQ-NWDGAFQWSA-N 1 1 321.377 2.293 20 5 DEBDMO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000356321030 524456915 /nfs/dbraw/zinc/45/69/15/524456915.db2.gz FWQPVPOUIBTOQQ-NWDGAFQWSA-N 1 1 321.377 2.293 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](OCCO)C1 ZINC000245532577 526089923 /nfs/dbraw/zinc/08/99/23/526089923.db2.gz UTPCDWADBTYUKH-UKRRQHHQSA-N 1 1 308.378 2.438 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000360086202 536446212 /nfs/dbraw/zinc/44/62/12/536446212.db2.gz SAWKQPXJNVVWNP-NSHDSACASA-N 1 1 309.341 2.148 20 5 DEBDMO CC(=O)c1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292429678 527210185 /nfs/dbraw/zinc/21/01/85/527210185.db2.gz XCGMVRNGBRNJAY-INIZCTEOSA-N 1 1 303.362 2.329 20 5 DEBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCCO1 ZINC000444599512 528888273 /nfs/dbraw/zinc/88/82/73/528888273.db2.gz APTYDXSSEHVROV-GFCCVEGCSA-N 1 1 304.350 2.472 20 5 DEBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCCO1 ZINC000444599512 528888276 /nfs/dbraw/zinc/88/82/76/528888276.db2.gz APTYDXSSEHVROV-GFCCVEGCSA-N 1 1 304.350 2.472 20 5 DEBDMO CCOC(=O)C[C@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444689774 528894112 /nfs/dbraw/zinc/89/41/12/528894112.db2.gz PFINYIDFFPBKBQ-JTQLQIEISA-N 1 1 320.349 2.245 20 5 DEBDMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444689774 528894116 /nfs/dbraw/zinc/89/41/16/528894116.db2.gz PFINYIDFFPBKBQ-JTQLQIEISA-N 1 1 320.349 2.245 20 5 DEBDMO CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000411131493 529134709 /nfs/dbraw/zinc/13/47/09/529134709.db2.gz BUAFNWBXPGWMQZ-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358915975 535601847 /nfs/dbraw/zinc/60/18/47/535601847.db2.gz RCHFDXADMSMQBG-AWEZNQCLSA-N 1 1 320.393 2.187 20 5 DEBDMO CC[N@H+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000492790706 535602460 /nfs/dbraw/zinc/60/24/60/535602460.db2.gz APYFECKMLFBSDQ-YXVBKTCISA-N 1 1 303.362 2.161 20 5 DEBDMO C[N@H+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000492862426 536399071 /nfs/dbraw/zinc/39/90/71/536399071.db2.gz KXMZGKMKPINMPS-CMDGGOBGSA-N 1 1 303.362 2.161 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC001355243549 1151995533 /nfs/dbraw/zinc/99/55/33/1151995533.db2.gz JYQWELBZUNOHOV-UHFFFAOYSA-N 1 1 320.374 2.492 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2)c1 ZINC000923774590 625472488 /nfs/dbraw/zinc/47/24/88/625472488.db2.gz ZWKGNKLXWZGOMU-OLZOCXBDSA-N 1 1 316.317 2.181 20 5 DEBDMO C[C@H](CNc1c([N+](=O)[O-])cnn1C)[N@@H+](C)Cc1ccccc1 ZINC000892459838 625713702 /nfs/dbraw/zinc/71/37/02/625713702.db2.gz IZYZCTAYDYDMCH-GFCCVEGCSA-N 1 1 303.366 2.261 20 5 DEBDMO C[C@H](NC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000892113118 624785180 /nfs/dbraw/zinc/78/51/80/624785180.db2.gz WKNVDKROMGIKIX-WFASDCNBSA-N 1 1 320.393 2.391 20 5 DEBDMO C[C@H](NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000892112736 624785442 /nfs/dbraw/zinc/78/54/42/624785442.db2.gz USTIYGAXRRVTDP-LNSITVRQSA-N 1 1 318.377 2.001 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2csc(C(F)(F)F)n2)c1 ZINC000893135729 625132810 /nfs/dbraw/zinc/13/28/10/625132810.db2.gz RWILKURCRDDBDB-UHFFFAOYSA-N 1 1 321.284 2.056 20 5 DEBDMO COc1c(O)ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000892609245 625191740 /nfs/dbraw/zinc/19/17/40/625191740.db2.gz YYKYKWJKFDJDBV-QWHCGFSZSA-N 1 1 321.377 2.025 20 5 DEBDMO CC(C)CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001000150228 634770555 /nfs/dbraw/zinc/77/05/55/634770555.db2.gz PHNIIOKRZPQNQI-HUUCEWRRSA-N 1 1 323.437 2.059 20 5 DEBDMO Cc1cc(C(=O)OCCC[N@H+]2CCO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000893388482 633227454 /nfs/dbraw/zinc/22/74/54/633227454.db2.gz GVNODTODJIGBAW-CYBMUJFWSA-N 1 1 322.361 2.171 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(O)(C[NH+](C)C)CC1 ZINC000931485519 633770649 /nfs/dbraw/zinc/77/06/49/633770649.db2.gz LULWVXNFZUPIJV-ZDUSSCGKSA-N 1 1 307.394 2.044 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000254929948 636662933 /nfs/dbraw/zinc/66/29/33/636662933.db2.gz CSURDDIFFYMOMD-MUGHPLOMSA-N 1 1 317.389 2.407 20 5 DEBDMO C[C@H]1[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928423205 637022297 /nfs/dbraw/zinc/02/22/97/637022297.db2.gz AETVFAUSQMEIIC-XVKPBYJWSA-N 1 1 315.732 2.210 20 5 DEBDMO Cc1cc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928431060 637165493 /nfs/dbraw/zinc/16/54/93/637165493.db2.gz BDCHDOQTOPKTQO-CABZTGNLSA-N 1 1 311.769 2.379 20 5 DEBDMO COc1ccc(C(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000788113656 637639599 /nfs/dbraw/zinc/63/95/99/637639599.db2.gz BNRDZTCPWXPYEA-CHWSQXEVSA-N 1 1 320.345 2.387 20 5 DEBDMO C[C@H](Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895244971 637840132 /nfs/dbraw/zinc/84/01/32/637840132.db2.gz BNORTICFXOVUIV-HZMBPMFUSA-N 1 1 312.801 2.294 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000839392260 637866170 /nfs/dbraw/zinc/86/61/70/637866170.db2.gz GAIUKACIELKCKA-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000839392260 637866175 /nfs/dbraw/zinc/86/61/75/637866175.db2.gz GAIUKACIELKCKA-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CCC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740858826 637910488 /nfs/dbraw/zinc/91/04/88/637910488.db2.gz LKXQNOUCWSTETK-BFHYXJOUSA-N 1 1 308.382 2.274 20 5 DEBDMO CC[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000741032080 637934168 /nfs/dbraw/zinc/93/41/68/637934168.db2.gz FYMNYWDDCGXNBK-CQSZACIVSA-N 1 1 322.361 2.441 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000742424699 638071907 /nfs/dbraw/zinc/07/19/07/638071907.db2.gz AQWOBWYGTSQCDM-NSHDSACASA-N 1 1 318.377 2.376 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@H]4C[C@@]4(O)C3)o2)c1 ZINC000895645268 638131640 /nfs/dbraw/zinc/13/16/40/638131640.db2.gz AXLVBUKOLMZUNY-MLGOLLRUSA-N 1 1 300.314 2.421 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000895697392 638155612 /nfs/dbraw/zinc/15/56/12/638155612.db2.gz PKKSESZJTHXUKB-ZDUSSCGKSA-N 1 1 317.389 2.426 20 5 DEBDMO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895739003 638170865 /nfs/dbraw/zinc/17/08/65/638170865.db2.gz VDTOYBAKJRHGRG-DGCLKSJQSA-N 1 1 320.393 2.238 20 5 DEBDMO C[C@H]1[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC[N@H+]1C ZINC000895736052 638177768 /nfs/dbraw/zinc/17/77/68/638177768.db2.gz ZYVVLZUJHVMANX-JOYOIKCWSA-N 1 1 304.325 2.209 20 5 DEBDMO COCC1(C2CC2)C[NH+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000895751020 638180329 /nfs/dbraw/zinc/18/03/29/638180329.db2.gz HEQTXAUOXIWQSJ-UHFFFAOYSA-N 1 1 322.361 2.167 20 5 DEBDMO CCn1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000895751764 638180553 /nfs/dbraw/zinc/18/05/53/638180553.db2.gz BMEFMVWUVCHVDI-INIZCTEOSA-N 1 1 318.377 2.117 20 5 DEBDMO C[C@@H](NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000896317105 638467025 /nfs/dbraw/zinc/46/70/25/638467025.db2.gz JCIRAERFQINHMT-LALPHHSUSA-N 1 1 318.377 2.001 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000896377674 638494253 /nfs/dbraw/zinc/49/42/53/638494253.db2.gz KEBATLCDQDIYGW-ZDUSSCGKSA-N 1 1 306.362 2.406 20 5 DEBDMO Cc1nn(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749961976 638698542 /nfs/dbraw/zinc/69/85/42/638698542.db2.gz VGHGIMOWZAOARU-AOOOYVTPSA-N 1 1 321.406 2.431 20 5 DEBDMO Cc1nn(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749961976 638698547 /nfs/dbraw/zinc/69/85/47/638698547.db2.gz VGHGIMOWZAOARU-AOOOYVTPSA-N 1 1 321.406 2.431 20 5 DEBDMO Cc1cccc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000750102722 638713421 /nfs/dbraw/zinc/71/34/21/638713421.db2.gz BNVJCEKEMCLMHU-MRXNPFEDSA-N 1 1 301.346 2.464 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H]3C3OCCO3)c2c1 ZINC000897005375 639117333 /nfs/dbraw/zinc/11/73/33/639117333.db2.gz WAMBOVJJWJRWAN-OAHLLOKOSA-N 1 1 315.329 2.485 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000007561255 639306332 /nfs/dbraw/zinc/30/63/32/639306332.db2.gz VDRQNWVKQGZLCZ-ZDUSSCGKSA-N 1 1 308.407 2.366 20 5 DEBDMO Cc1nn(C[N@H+]2CCOC[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000753988641 639370282 /nfs/dbraw/zinc/37/02/82/639370282.db2.gz ZEEVZNDEFPYEIR-NSHDSACASA-N 1 1 304.350 2.179 20 5 DEBDMO Cc1nn(C[N@@H+]2CCOC[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000753988641 639370286 /nfs/dbraw/zinc/37/02/86/639370286.db2.gz ZEEVZNDEFPYEIR-NSHDSACASA-N 1 1 304.350 2.179 20 5 DEBDMO Cc1nn(C[N@H+](C)[C@H]2CCSC2)c2ncc([N+](=O)[O-])cc12 ZINC000755794866 639589568 /nfs/dbraw/zinc/58/95/68/639589568.db2.gz RTELSRYMYBNIPM-JTQLQIEISA-N 1 1 307.379 2.043 20 5 DEBDMO C[C@@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000925231292 639704446 /nfs/dbraw/zinc/70/44/46/639704446.db2.gz HIFGBWXPTQULCY-IUODEOHRSA-N 1 1 318.377 2.145 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000758430896 639959676 /nfs/dbraw/zinc/95/96/76/639959676.db2.gz WZKJVOWXCWXSBE-UHFFFAOYSA-N 1 1 320.324 2.367 20 5 DEBDMO Cc1cc(F)cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000758481935 639964387 /nfs/dbraw/zinc/96/43/87/639964387.db2.gz HKBXNBABKFBGFY-CYBMUJFWSA-N 1 1 321.352 2.351 20 5 DEBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763875633 640580506 /nfs/dbraw/zinc/58/05/06/640580506.db2.gz PGYDDZVPZNMUHU-GFCCVEGCSA-N 1 1 316.785 2.466 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765789563 640818552 /nfs/dbraw/zinc/81/85/52/640818552.db2.gz BAOGPMUHEMQCQR-CWRNSKLLSA-N 1 1 319.405 2.417 20 5 DEBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000767590822 640997070 /nfs/dbraw/zinc/99/70/70/640997070.db2.gz CKRZYBMJPIIKCR-UHFFFAOYSA-N 1 1 322.296 2.068 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000898036620 641008137 /nfs/dbraw/zinc/00/81/37/641008137.db2.gz GWLJTRPZZVMCAV-UHOFOFEASA-N 1 1 317.389 2.299 20 5 DEBDMO COC[C@@H]1CCCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000767947468 641034593 /nfs/dbraw/zinc/03/45/93/641034593.db2.gz IIKLHLQLEILXTI-CJNGLKHVSA-N 1 1 308.378 2.377 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000768526929 641092411 /nfs/dbraw/zinc/09/24/11/641092411.db2.gz RZCXVDXSBCZGDA-QWRGUYRKSA-N 1 1 318.377 2.008 20 5 DEBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000842046422 650634023 /nfs/dbraw/zinc/63/40/23/650634023.db2.gz CUFXXDYVPNCNIP-GHMZBOCLSA-N 1 1 313.785 2.140 20 5 DEBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000842046422 650634024 /nfs/dbraw/zinc/63/40/24/650634024.db2.gz CUFXXDYVPNCNIP-GHMZBOCLSA-N 1 1 313.785 2.140 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000769142637 641184026 /nfs/dbraw/zinc/18/40/26/641184026.db2.gz YNFOOEWALXSFRQ-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000769142637 641184031 /nfs/dbraw/zinc/18/40/31/641184031.db2.gz YNFOOEWALXSFRQ-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000769707341 641278034 /nfs/dbraw/zinc/27/80/34/641278034.db2.gz GVNGNCFKEUTQCT-UHFFFAOYSA-N 1 1 320.393 2.029 20 5 DEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000772304504 641622510 /nfs/dbraw/zinc/62/25/10/641622510.db2.gz YTODCZILLGMILC-JTQLQIEISA-N 1 1 311.769 2.333 20 5 DEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000772304504 641622514 /nfs/dbraw/zinc/62/25/14/641622514.db2.gz YTODCZILLGMILC-JTQLQIEISA-N 1 1 311.769 2.333 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000773189031 641740216 /nfs/dbraw/zinc/74/02/16/641740216.db2.gz JDCGXXHDWHOWAN-JTQLQIEISA-N 1 1 311.769 2.462 20 5 DEBDMO COC(=O)C[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582555 642188081 /nfs/dbraw/zinc/18/80/81/642188081.db2.gz VFGONLZDQNAQSB-HUUCEWRRSA-N 1 1 322.361 2.046 20 5 DEBDMO C[C@@H]1C[C@@H](N(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000776591567 642190415 /nfs/dbraw/zinc/19/04/15/642190415.db2.gz KHFSUZKYRXCJHR-KCXAZCMYSA-N 1 1 307.394 2.043 20 5 DEBDMO C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776591567 642190419 /nfs/dbraw/zinc/19/04/19/642190419.db2.gz KHFSUZKYRXCJHR-KCXAZCMYSA-N 1 1 307.394 2.043 20 5 DEBDMO C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776591567 642190421 /nfs/dbraw/zinc/19/04/21/642190421.db2.gz KHFSUZKYRXCJHR-KCXAZCMYSA-N 1 1 307.394 2.043 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000777145553 642240639 /nfs/dbraw/zinc/24/06/39/642240639.db2.gz AEULKUFUDANJMV-SNVBAGLBSA-N 1 1 309.391 2.093 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000777145553 642240644 /nfs/dbraw/zinc/24/06/44/642240644.db2.gz AEULKUFUDANJMV-SNVBAGLBSA-N 1 1 309.391 2.093 20 5 DEBDMO Cc1nn(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000779868260 642552989 /nfs/dbraw/zinc/55/29/89/642552989.db2.gz KQUNFLDARQRTSL-ZIAGYGMSSA-N 1 1 308.382 2.196 20 5 DEBDMO Cc1nn(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000779868260 642552992 /nfs/dbraw/zinc/55/29/92/642552992.db2.gz KQUNFLDARQRTSL-ZIAGYGMSSA-N 1 1 308.382 2.196 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000842622809 650784974 /nfs/dbraw/zinc/78/49/74/650784974.db2.gz CVAQEWDXYUGCJW-WBMJQRKESA-N 1 1 316.361 2.321 20 5 DEBDMO COc1nn(C)cc1C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903343631 643320687 /nfs/dbraw/zinc/32/06/87/643320687.db2.gz AVGDMBYPQPAQHR-SNVBAGLBSA-N 1 1 320.349 2.196 20 5 DEBDMO CCCOc1ccc(C[NH2+]CC[N+](=O)[O-])c(OC(F)F)c1 ZINC000905168607 643822677 /nfs/dbraw/zinc/82/26/77/643822677.db2.gz MZKVNZRPBYWEDA-UHFFFAOYSA-N 1 1 304.293 2.443 20 5 DEBDMO Cc1nn(C[N@@H+]2CCO[C@H](C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000905740986 644027824 /nfs/dbraw/zinc/02/78/24/644027824.db2.gz AJOODVWKIRYHGX-LLVKDONJSA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1nn(C[N@H+]2CCO[C@H](C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000905740986 644027827 /nfs/dbraw/zinc/02/78/27/644027827.db2.gz AJOODVWKIRYHGX-LLVKDONJSA-N 1 1 304.350 2.321 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CCn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000906507367 644265410 /nfs/dbraw/zinc/26/54/10/644265410.db2.gz MXRQQFJZQAJIRL-JTQLQIEISA-N 1 1 322.390 2.241 20 5 DEBDMO Cc1ccc(-c2noc(C[NH2+]C[C@@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000843178925 650917879 /nfs/dbraw/zinc/91/78/79/650917879.db2.gz QSTZKKYRLROBCS-LBPRGKRZSA-N 1 1 318.333 2.222 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000794587302 644440086 /nfs/dbraw/zinc/44/00/86/644440086.db2.gz XRJXLSYMALTUTQ-HUUCEWRRSA-N 1 1 302.334 2.188 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000794587302 644440091 /nfs/dbraw/zinc/44/00/91/644440091.db2.gz XRJXLSYMALTUTQ-HUUCEWRRSA-N 1 1 302.334 2.188 20 5 DEBDMO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796581126 644758560 /nfs/dbraw/zinc/75/85/60/644758560.db2.gz UOWCQKVLLVMSQC-GXFFZTMASA-N 1 1 314.769 2.220 20 5 DEBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796581126 644758566 /nfs/dbraw/zinc/75/85/66/644758566.db2.gz UOWCQKVLLVMSQC-GXFFZTMASA-N 1 1 314.769 2.220 20 5 DEBDMO C[C@H]1CCC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839946713 645451292 /nfs/dbraw/zinc/45/12/92/645451292.db2.gz BEBDUWIIXIQDKD-LRDDRELGSA-N 1 1 319.361 2.221 20 5 DEBDMO C[C@H]1CCC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839946713 645451298 /nfs/dbraw/zinc/45/12/98/645451298.db2.gz BEBDUWIIXIQDKD-LRDDRELGSA-N 1 1 319.361 2.221 20 5 DEBDMO C[C@@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000840028149 645734294 /nfs/dbraw/zinc/73/42/94/645734294.db2.gz ZIMABBHRFAHRNQ-WQGACYEGSA-N 1 1 319.361 2.220 20 5 DEBDMO C[C@@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000840028149 645734299 /nfs/dbraw/zinc/73/42/99/645734299.db2.gz ZIMABBHRFAHRNQ-WQGACYEGSA-N 1 1 319.361 2.220 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000804520065 645785143 /nfs/dbraw/zinc/78/51/43/645785143.db2.gz BQBOCHLFGLWKEO-SECBINFHSA-N 1 1 307.379 2.496 20 5 DEBDMO O=C1CCCN1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840126048 646012099 /nfs/dbraw/zinc/01/20/99/646012099.db2.gz NVMRLKKYVFKZFG-CQSZACIVSA-N 1 1 303.362 2.354 20 5 DEBDMO O=C1CCCN1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840126048 646012103 /nfs/dbraw/zinc/01/21/03/646012103.db2.gz NVMRLKKYVFKZFG-CQSZACIVSA-N 1 1 303.362 2.354 20 5 DEBDMO CNc1c(C(=O)O[C@H](C)Cn2cc[nH+]c2C)cccc1[N+](=O)[O-] ZINC000810614889 646387049 /nfs/dbraw/zinc/38/70/49/646387049.db2.gz JXMZCKIXDVMFNT-SNVBAGLBSA-N 1 1 318.333 2.387 20 5 DEBDMO CNc1c(C(=O)O[C@@H](C)Cn2cc[nH+]c2C)cccc1[N+](=O)[O-] ZINC000810614888 646387669 /nfs/dbraw/zinc/38/76/69/646387669.db2.gz JXMZCKIXDVMFNT-JTQLQIEISA-N 1 1 318.333 2.387 20 5 DEBDMO COc1c(C(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000810844754 646435058 /nfs/dbraw/zinc/43/50/58/646435058.db2.gz QTMXPDHFCMGBFS-RYUDHWBXSA-N 1 1 320.345 2.387 20 5 DEBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000168633323 646593204 /nfs/dbraw/zinc/59/32/04/646593204.db2.gz UWYVAWQKTASUJZ-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000168633323 646593206 /nfs/dbraw/zinc/59/32/06/646593206.db2.gz UWYVAWQKTASUJZ-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000172180815 646725685 /nfs/dbraw/zinc/72/56/85/646725685.db2.gz UKDXTTYGIMSUOA-CYBMUJFWSA-N 1 1 314.769 2.222 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000172180815 646725688 /nfs/dbraw/zinc/72/56/88/646725688.db2.gz UKDXTTYGIMSUOA-CYBMUJFWSA-N 1 1 314.769 2.222 20 5 DEBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000813635763 646794670 /nfs/dbraw/zinc/79/46/70/646794670.db2.gz GCNWMOYGMHDHDW-OAHLLOKOSA-N 1 1 309.341 2.275 20 5 DEBDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815560256 647031340 /nfs/dbraw/zinc/03/13/40/647031340.db2.gz BZHKQNNYYSVZJN-FPMFFAJLSA-N 1 1 304.394 2.454 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000817297237 647261646 /nfs/dbraw/zinc/26/16/46/647261646.db2.gz PABFLHZBLHIWPZ-CJNGLKHVSA-N 1 1 308.378 2.113 20 5 DEBDMO CC(C)N1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818941150 647544566 /nfs/dbraw/zinc/54/45/66/647544566.db2.gz PSWFUMSUMHTULI-INIZCTEOSA-N 1 1 307.394 2.091 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000153648254 647590698 /nfs/dbraw/zinc/59/06/98/647590698.db2.gz AAMLWZBLVUQJGB-MRXNPFEDSA-N 1 1 317.393 2.174 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2noc3c2CCCC3)c1 ZINC000819316387 647633003 /nfs/dbraw/zinc/63/30/03/647633003.db2.gz PUEWJFULPNNVDW-OAHLLOKOSA-N 1 1 317.345 2.285 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000820273416 647816378 /nfs/dbraw/zinc/81/63/78/647816378.db2.gz UJTUVKFQEXMANP-GXFFZTMASA-N 1 1 321.402 2.093 20 5 DEBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154121039 647899147 /nfs/dbraw/zinc/89/91/47/647899147.db2.gz IIAJXOBYDUPKBD-SNVBAGLBSA-N 1 1 311.769 2.336 20 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KOEUFXVOZLVXHV-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000827674729 649065176 /nfs/dbraw/zinc/06/51/76/649065176.db2.gz KOEUFXVOZLVXHV-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO CCC(=O)c1ccc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000828988267 649256167 /nfs/dbraw/zinc/25/61/67/649256167.db2.gz UZDXKUKNIMWRBG-SWLSCSKDSA-N 1 1 303.362 2.328 20 5 DEBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)CC(C)(C)C ZINC000832093953 649674648 /nfs/dbraw/zinc/67/46/48/649674648.db2.gz JZMHTJOLWMYESO-HUUCEWRRSA-N 1 1 310.394 2.357 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000832290639 649692746 /nfs/dbraw/zinc/69/27/46/649692746.db2.gz ASKXHTMVXYIGBF-QPUJVOFHSA-N 1 1 322.258 2.479 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000832290639 649692748 /nfs/dbraw/zinc/69/27/48/649692748.db2.gz ASKXHTMVXYIGBF-QPUJVOFHSA-N 1 1 322.258 2.479 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000832348167 649700085 /nfs/dbraw/zinc/70/00/85/649700085.db2.gz HQWVFYUYJXOSHG-CVEARBPZSA-N 1 1 306.362 2.131 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]21 ZINC000834310426 649779507 /nfs/dbraw/zinc/77/95/07/649779507.db2.gz MFGCDONXGCSCNO-MFKMUULPSA-N 1 1 309.753 2.024 20 5 DEBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cc([N+](=O)[O-])ccc1F ZINC000834475848 649804173 /nfs/dbraw/zinc/80/41/73/649804173.db2.gz GCCSUFHGBXRCHO-CYBMUJFWSA-N 1 1 321.352 2.481 20 5 DEBDMO C[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000844420536 651126202 /nfs/dbraw/zinc/12/62/02/651126202.db2.gz BSLOVZUBZFBHPN-SWLSCSKDSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000844420536 651126203 /nfs/dbraw/zinc/12/62/03/651126203.db2.gz BSLOVZUBZFBHPN-SWLSCSKDSA-N 1 1 306.362 2.272 20 5 DEBDMO CN1C[C@@H]([N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCC1=O ZINC000846920282 651361606 /nfs/dbraw/zinc/36/16/06/651361606.db2.gz KQKPOIUETJJTSB-NSHDSACASA-N 1 1 311.769 2.301 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000854494716 651489179 /nfs/dbraw/zinc/48/91/79/651489179.db2.gz FWIQRWGYASCBSP-OAHLLOKOSA-N 1 1 324.356 2.328 20 5 DEBDMO Cc1[nH+]ccn1CCCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854497477 651489653 /nfs/dbraw/zinc/48/96/53/651489653.db2.gz QGBQZNWKTXBPNK-UHFFFAOYSA-N 1 1 303.322 2.101 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852429840 652400123 /nfs/dbraw/zinc/40/01/23/652400123.db2.gz AELFDCFAVCMCQD-RISCZKNCSA-N 1 1 305.334 2.182 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000110850865 652458149 /nfs/dbraw/zinc/45/81/49/652458149.db2.gz KAMMHRHFEUIBSU-CYBMUJFWSA-N 1 1 322.361 2.059 20 5 DEBDMO C[C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000853485761 652553759 /nfs/dbraw/zinc/55/37/59/652553759.db2.gz PNMCCPFNIDZMDE-SNVBAGLBSA-N 1 1 315.320 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ZINC001169036564 785010786 /nfs/dbraw/zinc/01/07/86/785010786.db2.gz GPUJQKGTTVVFIL-HOTGVXAUSA-N 1 1 318.421 2.348 20 5 DEBDMO CCOCc1ncn2c1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169020525 785017014 /nfs/dbraw/zinc/01/70/14/785017014.db2.gz JHXHLPYRHUEIHD-KGLIPLIRSA-N 1 1 322.409 2.071 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@H](N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001169026101 785020450 /nfs/dbraw/zinc/02/04/50/785020450.db2.gz KQQQEIQDTPYLNP-ROUUACIJSA-N 1 1 317.433 2.292 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC001170328760 786911559 /nfs/dbraw/zinc/91/15/59/786911559.db2.gz MFYQAXIQEXLPCX-DFBGVHRSSA-N 1 1 306.362 2.398 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC001170328760 786911571 /nfs/dbraw/zinc/91/15/71/786911571.db2.gz MFYQAXIQEXLPCX-DFBGVHRSSA-N 1 1 306.362 2.398 20 5 DEBDMO COc1ccc(C[C@H](C)[NH2+][C@H]2CCSC2=O)c([N+](=O)[O-])c1 ZINC001170308144 786916071 /nfs/dbraw/zinc/91/60/71/786916071.db2.gz LAKUZOZKPSKMTH-CABZTGNLSA-N 1 1 310.375 2.156 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170353407 786917101 /nfs/dbraw/zinc/91/71/01/786917101.db2.gz XSSDDJYMHOHGAM-SGMGOOAPSA-N 1 1 308.378 2.380 20 5 DEBDMO CCOC(=O)C1C[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345033 786928748 /nfs/dbraw/zinc/92/87/48/786928748.db2.gz GOMYBIQMZOEVPH-NSHDSACASA-N 1 1 322.361 2.029 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001135058904 789179370 /nfs/dbraw/zinc/17/93/70/789179370.db2.gz ADUPKXVDMILSMI-ZKYQVNSYSA-N 1 1 321.352 2.112 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903225 793523261 /nfs/dbraw/zinc/52/32/61/793523261.db2.gz FPKYGSZOMNQYPQ-HUUCEWRRSA-N 1 1 318.373 2.337 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@H](OC)C2)c1F ZINC001173180374 793620449 /nfs/dbraw/zinc/62/04/49/793620449.db2.gz KFTHQONWVIWEGW-MNOVXSKESA-N 1 1 312.341 2.394 20 5 DEBDMO CC[N@@H+](CCN1CCOCC1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231781 793644023 /nfs/dbraw/zinc/64/40/23/793644023.db2.gz CZUSOSSJMUCSLL-HNNXBMFYSA-N 1 1 321.421 2.180 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2cnn(C)c2C1 ZINC001173231109 793645097 /nfs/dbraw/zinc/64/50/97/793645097.db2.gz JQVXIXLZHSGPIV-GFCCVEGCSA-N 1 1 300.362 2.318 20 5 DEBDMO CC(=O)N1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001173233262 793645629 /nfs/dbraw/zinc/64/56/29/793645629.db2.gz KBRUHEYTSNVQJC-OLZOCXBDSA-N 1 1 305.378 2.078 20 5 DEBDMO CC(=O)N1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001173233262 793645634 /nfs/dbraw/zinc/64/56/34/793645634.db2.gz KBRUHEYTSNVQJC-OLZOCXBDSA-N 1 1 305.378 2.078 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001116729068 794981384 /nfs/dbraw/zinc/98/13/84/794981384.db2.gz ITDRRMFJILKSFS-CHWSQXEVSA-N 1 1 322.409 2.020 20 5 DEBDMO Cc1nc(N2CC[N@@H+](C3CCCC3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC001120874894 795549039 /nfs/dbraw/zinc/54/90/39/795549039.db2.gz PCCUWUYGUJGIQS-LLVKDONJSA-N 1 1 305.382 2.146 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@H]21 ZINC001157270191 798174462 /nfs/dbraw/zinc/17/44/62/798174462.db2.gz DFFNBQBKTWXVER-ZWNOBZJWSA-N 1 1 301.350 2.002 20 5 DEBDMO CCC[N@@H+]1C[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@H]2C1 ZINC001157688141 798258397 /nfs/dbraw/zinc/25/83/97/798258397.db2.gz GFBBOKSECNANQQ-PHIMTYICSA-N 1 1 310.785 2.421 20 5 DEBDMO C[C@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CC[C@]1(C)O ZINC001164350673 799579736 /nfs/dbraw/zinc/57/97/36/799579736.db2.gz WFHASGYXXUKYSK-SZNKJTEWSA-N 1 1 320.393 2.119 20 5 DEBDMO CC(C)[N@H+]1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)C[C@H]1C ZINC001165198814 799670455 /nfs/dbraw/zinc/67/04/55/799670455.db2.gz ISDTZFALXKXHOT-GFCCVEGCSA-N 1 1 315.377 2.457 20 5 DEBDMO CC(C)[N@H+]1CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C[C@H]1C ZINC001165200374 799671876 /nfs/dbraw/zinc/67/18/76/799671876.db2.gz VOJZZQAQKZWAKC-LLVKDONJSA-N 1 1 303.366 2.390 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNc2ccc3ncc([N+](=O)[O-])n3c2)C1 ZINC001165278631 799694583 /nfs/dbraw/zinc/69/45/83/799694583.db2.gz IYRBOVHPXBNAHG-LBPRGKRZSA-N 1 1 303.366 2.386 20 5 DEBDMO C[NH+](C)/C=C/c1cc(N2C[C@@H]3C[C@@H]3[C@H](F)C2)ncc1[N+](=O)[O-] ZINC001165366523 799714399 /nfs/dbraw/zinc/71/43/99/799714399.db2.gz TYBRQIWYUKNKDH-DPBVVWTHSA-N 1 1 306.341 2.316 20 5 DEBDMO CCO[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000932970417 799984150 /nfs/dbraw/zinc/98/41/50/799984150.db2.gz GYRCXTRNIATZGZ-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H]2CCOC2)cc1 ZINC000933669326 800155944 /nfs/dbraw/zinc/15/59/44/800155944.db2.gz FSPABWWSUDUNLO-GOEBONIOSA-N 1 1 306.362 2.222 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H]2C[C@@H]2CCOC2)cc1 ZINC000933669326 800155949 /nfs/dbraw/zinc/15/59/49/800155949.db2.gz FSPABWWSUDUNLO-GOEBONIOSA-N 1 1 306.362 2.222 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000933928550 800217350 /nfs/dbraw/zinc/21/73/50/800217350.db2.gz BDKKCEGFYFMZTA-LLVKDONJSA-N 1 1 323.418 2.388 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000934120015 800268005 /nfs/dbraw/zinc/26/80/05/800268005.db2.gz VMVNLZAERXDRCK-NILFDRSVSA-N 1 1 321.377 2.339 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000934120015 800268011 /nfs/dbraw/zinc/26/80/11/800268011.db2.gz VMVNLZAERXDRCK-NILFDRSVSA-N 1 1 321.377 2.339 20 5 DEBDMO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000935323718 800627202 /nfs/dbraw/zinc/62/72/02/800627202.db2.gz DPBCBNTYDCYUER-GFCCVEGCSA-N 1 1 307.350 2.415 20 5 DEBDMO CCOC(=O)c1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001207526829 800771799 /nfs/dbraw/zinc/77/17/99/800771799.db2.gz JTMRXXOFHMWMLN-SNVBAGLBSA-N 1 1 318.333 2.345 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000935928839 800801561 /nfs/dbraw/zinc/80/15/61/800801561.db2.gz MLRYLMPHAMRAOC-VBNZEHGJSA-N 1 1 317.389 2.251 20 5 DEBDMO CC(C)(C)OC(=O)C1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001207798186 800836234 /nfs/dbraw/zinc/83/62/34/800836234.db2.gz CYGPADLWNDGHNR-UHFFFAOYSA-N 1 1 306.362 2.411 20 5 DEBDMO O=[N+]([O-])c1cc2c[nH]nc2cc1OC1CC[NH+](CCF)CC1 ZINC001230596838 801432814 /nfs/dbraw/zinc/43/28/14/801432814.db2.gz VFQAWPCXDMGZPX-UHFFFAOYSA-N 1 1 308.313 2.284 20 5 DEBDMO C[N@H+]1CCC[C@@H](Oc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001231053705 801564998 /nfs/dbraw/zinc/56/49/98/801564998.db2.gz STWPPBSRKRXIEX-LLVKDONJSA-N 1 1 302.334 2.401 20 5 DEBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001233986411 802258627 /nfs/dbraw/zinc/25/86/27/802258627.db2.gz LBVVNRCKHKOHSW-AWEZNQCLSA-N 1 1 308.378 2.376 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CO[C@@H]1CCc2[nH+]ccn2C1 ZINC001223107386 802765744 /nfs/dbraw/zinc/76/57/44/802765744.db2.gz KZXQQRDYHJLNCX-CYBMUJFWSA-N 1 1 303.318 2.332 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CCC[N@@H+](C)CC1 ZINC001223450918 802791201 /nfs/dbraw/zinc/79/12/01/802791201.db2.gz VSNOGDPMVMVQDZ-CQSZACIVSA-N 1 1 322.361 2.382 20 5 DEBDMO COC(=O)[C@H](OC1C[NH+](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001223644783 802805536 /nfs/dbraw/zinc/80/55/36/802805536.db2.gz XMGDSCYEGJIKSI-CQSZACIVSA-N 1 1 322.361 2.308 20 5 DEBDMO COC(=O)[C@H](O[C@@H]1CCC[N@@H+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001223645052 802805798 /nfs/dbraw/zinc/80/57/98/802805798.db2.gz ZKDNWAJPZXJBLP-IUODEOHRSA-N 1 1 322.361 2.310 20 5 DEBDMO C[C@@H](O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC001224026662 802830729 /nfs/dbraw/zinc/83/07/29/802830729.db2.gz RJBGLYIEOPYMCD-SUZRMVIJSA-N 1 1 304.346 2.477 20 5 DEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001226530687 803119888 /nfs/dbraw/zinc/11/98/88/803119888.db2.gz FUTBWSPDLKBVAV-GFCCVEGCSA-N 1 1 301.302 2.388 20 5 DEBDMO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226761337 803154756 /nfs/dbraw/zinc/15/47/56/803154756.db2.gz SQQXBNMLDIFNOJ-LLVKDONJSA-N 1 1 300.742 2.348 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226761337 803154759 /nfs/dbraw/zinc/15/47/59/803154759.db2.gz SQQXBNMLDIFNOJ-LLVKDONJSA-N 1 1 300.742 2.348 20 5 DEBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001227121400 803204351 /nfs/dbraw/zinc/20/43/51/803204351.db2.gz AYNWWZAHBNIYPT-LLVKDONJSA-N 1 1 308.334 2.245 20 5 DEBDMO C[N@H+]1CCc2cc(O[C@H](C[N+](=O)[O-])c3cccnc3)ccc2C1 ZINC001228937010 803432966 /nfs/dbraw/zinc/43/29/66/803432966.db2.gz SPXTUCGIJXJPTA-QGZVFWFLSA-N 1 1 313.357 2.466 20 5 DEBDMO Cc1nn(C[NH+]2CCC3(CCCCO3)CC2)c(C)c1[N+](=O)[O-] ZINC001331048452 1149368518 /nfs/dbraw/zinc/36/85/18/1149368518.db2.gz MKAKRIMSJQOANM-UHFFFAOYSA-N 1 1 308.382 2.401 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001343370674 1150738009 /nfs/dbraw/zinc/73/80/09/1150738009.db2.gz DEEMUGCRFMQZRT-DGCLKSJQSA-N 1 1 319.361 2.420 20 5 DEBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1CC2(CC2)CC1=O ZINC001328636528 1148819037 /nfs/dbraw/zinc/81/90/37/1148819037.db2.gz ZZDPVYQAOKATGD-UHFFFAOYSA-N 1 1 303.362 2.039 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1CC2(CC2)CC1=O ZINC001328636528 1148819039 /nfs/dbraw/zinc/81/90/39/1148819039.db2.gz ZZDPVYQAOKATGD-UHFFFAOYSA-N 1 1 303.362 2.039 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001457419382 1057980286 /nfs/dbraw/zinc/98/02/86/1057980286.db2.gz WPOVYRXFGDXPLJ-OWCLPIDISA-N 1 1 317.389 2.251 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](c3cnccn3)C2)c1 ZINC001460858079 1058528966 /nfs/dbraw/zinc/52/89/66/1058528966.db2.gz NFSOGDZOCGXHND-CYBMUJFWSA-N 1 1 314.345 2.253 20 5 DEBDMO C[C@@H](NC(=O)CC[N@H+]1CC[C@H](F)C1)c1ccc([N+](=O)[O-])cc1 ZINC001471800547 1060303936 /nfs/dbraw/zinc/30/39/36/1060303936.db2.gz KXKIGJAKENYODB-YPMHNXCESA-N 1 1 309.341 2.206 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001472447060 1060506315 /nfs/dbraw/zinc/50/63/15/1060506315.db2.gz DILLELWAVICCGN-GFCCVEGCSA-N 1 1 316.361 2.242 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC001472450426 1060509473 /nfs/dbraw/zinc/50/94/73/1060509473.db2.gz JXZZTYWIWLDEOY-ZDUSSCGKSA-N 1 1 305.378 2.378 20 5 DEBDMO C[C@@H](C(=O)N1CC[N@@H+](C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001472583492 1060547042 /nfs/dbraw/zinc/54/70/42/1060547042.db2.gz QRHDMXNPLHTQAZ-CHWSQXEVSA-N 1 1 317.389 2.393 20 5 DEBDMO C[C@@H](C(=O)N1CC[N@H+](C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001472583492 1060547059 /nfs/dbraw/zinc/54/70/59/1060547059.db2.gz QRHDMXNPLHTQAZ-CHWSQXEVSA-N 1 1 317.389 2.393 20 5 DEBDMO CC(C)(C)CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001493370704 1063751811 /nfs/dbraw/zinc/75/18/11/1063751811.db2.gz LZNVLJDWVPPOHJ-ZIAGYGMSSA-N 1 1 311.426 2.059 20 5 DEBDMO CC(C)(C)CCC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001493370704 1063751822 /nfs/dbraw/zinc/75/18/22/1063751822.db2.gz LZNVLJDWVPPOHJ-ZIAGYGMSSA-N 1 1 311.426 2.059 20 5 DEBDMO CC(C)(C)CCC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001493370704 1063751829 /nfs/dbraw/zinc/75/18/29/1063751829.db2.gz LZNVLJDWVPPOHJ-ZIAGYGMSSA-N 1 1 311.426 2.059 20 5 DEBDMO CCC/C=C\CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001569572283 1065601771 /nfs/dbraw/zinc/60/17/71/1065601771.db2.gz DKENYHAQRFHJLU-JBZXTQMFSA-N 1 1 323.437 2.369 20 5 DEBDMO Cc1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cn2cc[nH+]c12 ZINC001625195771 1078239651 /nfs/dbraw/zinc/23/96/51/1078239651.db2.gz XBGVXYMOYAZAEV-UHFFFAOYSA-N 1 1 320.696 2.180 20 5 DEBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1C1CCCC1 ZINC001634502535 1078429876 /nfs/dbraw/zinc/42/98/76/1078429876.db2.gz ANZCVJACCINMIG-NSHDSACASA-N 1 1 306.366 2.012 20 5 DEBDMO Cc1sc(C[NH3+])nc1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC001579635677 1067392311 /nfs/dbraw/zinc/39/23/11/1067392311.db2.gz KDFKYOVVSDAMBV-UHFFFAOYSA-N 1 1 306.347 2.379 20 5 DEBDMO CC[N@@H+](CCNC(=O)C1CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267235048 1078685889 /nfs/dbraw/zinc/68/58/89/1078685889.db2.gz SYPCCZIHVMRKFF-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO C[NH+](C)Cc1nnc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)o1 ZINC001329270941 1148879619 /nfs/dbraw/zinc/87/96/19/1148879619.db2.gz SFCPXICSSGNMCT-UHFFFAOYSA-N 1 1 314.248 2.308 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001563058209 1074925362 /nfs/dbraw/zinc/92/53/62/1074925362.db2.gz VKKUYRUSFMMVAT-NSHDSACASA-N 1 1 321.381 2.030 20 5 DEBDMO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001560256358 1075134946 /nfs/dbraw/zinc/13/49/46/1075134946.db2.gz LHEDPVXUPHMTLW-LLVKDONJSA-N 1 1 317.345 2.469 20 5 DEBDMO C[N@H+](CCNC(=O)c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC001567269937 1075482662 /nfs/dbraw/zinc/48/26/62/1075482662.db2.gz KSBNWHQLTWJFSZ-UHFFFAOYSA-N 1 1 313.357 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307.379 2.353 20 5 DEBDMO COc1cc(CN2CCC(CC[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000580957336 357108624 /nfs/dbraw/zinc/10/86/24/357108624.db2.gz KWMCJWKKGDNNRF-UHFFFAOYSA-N 1 1 323.393 2.173 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CNc2ccnn2C1 ZINC000592510091 357890998 /nfs/dbraw/zinc/89/09/98/357890998.db2.gz SPMAGMBBJUBTAZ-CQSZACIVSA-N 1 1 315.377 2.008 20 5 DEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000593062586 357998614 /nfs/dbraw/zinc/99/86/14/357998614.db2.gz OHWJJLDYFPWADX-IUODEOHRSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593063174 357998677 /nfs/dbraw/zinc/99/86/77/357998677.db2.gz QZWHLOBZHHLIGC-QWHCGFSZSA-N 1 1 321.377 2.423 20 5 DEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2n(n1)CCC2 ZINC000593029123 357990950 /nfs/dbraw/zinc/99/09/50/357990950.db2.gz UFLDCDXPBLAHMJ-UHFFFAOYSA-N 1 1 300.362 2.412 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2n(n1)CCC2 ZINC000593029123 357990951 /nfs/dbraw/zinc/99/09/51/357990951.db2.gz UFLDCDXPBLAHMJ-UHFFFAOYSA-N 1 1 300.362 2.412 20 5 DEBDMO C[N@@H+](CCCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000593171178 358026510 /nfs/dbraw/zinc/02/65/10/358026510.db2.gz WAQINNBQEPGQMS-UHFFFAOYSA-N 1 1 323.368 2.267 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593437591 358078439 /nfs/dbraw/zinc/07/84/39/358078439.db2.gz JFHWHNJHVILYLC-LBPRGKRZSA-N 1 1 323.368 2.125 20 5 DEBDMO C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593730823 358132534 /nfs/dbraw/zinc/13/25/34/358132534.db2.gz HQRRIIQLWVIPPB-KGLIPLIRSA-N 1 1 307.394 2.423 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(F)cc([N+](=O)[O-])c1 ZINC000594196803 358221428 /nfs/dbraw/zinc/22/14/28/358221428.db2.gz NGLKSHRKZBGKMT-CABCVRRESA-N 1 1 321.352 2.481 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c(F)c1 ZINC000594992588 358375066 /nfs/dbraw/zinc/37/50/66/358375066.db2.gz GZCQHVAFOOHYMP-OAHLLOKOSA-N 1 1 323.368 2.077 20 5 DEBDMO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041314 358382132 /nfs/dbraw/zinc/38/21/32/358382132.db2.gz PAJCDGXRCYYEBU-QWRGUYRKSA-N 1 1 309.366 2.121 20 5 DEBDMO COc1ccc(C[NH2+]Cc2ccnn2CC2CC2)cc1[N+](=O)[O-] ZINC000594917022 358357106 /nfs/dbraw/zinc/35/71/06/358357106.db2.gz FQEBLBOERYHWJG-UHFFFAOYSA-N 1 1 316.361 2.500 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C(=O)NC(C)C ZINC000595044657 358382938 /nfs/dbraw/zinc/38/29/38/358382938.db2.gz NGBAWOBIKJDBAR-QWRGUYRKSA-N 1 1 309.366 2.167 20 5 DEBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000595671528 358517972 /nfs/dbraw/zinc/51/79/72/358517972.db2.gz SROWSURYAZTBOX-XJKSGUPXSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595680322 358520866 /nfs/dbraw/zinc/52/08/66/358520866.db2.gz ZKQVNFIIOVBYJW-XHDPSFHLSA-N 1 1 318.377 2.454 20 5 DEBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595680322 358520869 /nfs/dbraw/zinc/52/08/69/358520869.db2.gz ZKQVNFIIOVBYJW-XHDPSFHLSA-N 1 1 318.377 2.454 20 5 DEBDMO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595680318 358521096 /nfs/dbraw/zinc/52/10/96/358521096.db2.gz ZKQVNFIIOVBYJW-IAQYHMDHSA-N 1 1 318.377 2.454 20 5 DEBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595680318 358521100 /nfs/dbraw/zinc/52/11/00/358521100.db2.gz ZKQVNFIIOVBYJW-IAQYHMDHSA-N 1 1 318.377 2.454 20 5 DEBDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595307947 358419196 /nfs/dbraw/zinc/41/91/96/358419196.db2.gz CLQPGQRRXXXALH-GFCCVEGCSA-N 1 1 324.381 2.020 20 5 DEBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595307947 358419200 /nfs/dbraw/zinc/41/92/00/358419200.db2.gz CLQPGQRRXXXALH-GFCCVEGCSA-N 1 1 324.381 2.020 20 5 DEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1=CCCOC1 ZINC000595754197 358542091 /nfs/dbraw/zinc/54/20/91/358542091.db2.gz WPLPZUSYJDMIIJ-UHFFFAOYSA-N 1 1 320.345 2.240 20 5 DEBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1=CCCOC1 ZINC000595754197 358542094 /nfs/dbraw/zinc/54/20/94/358542094.db2.gz WPLPZUSYJDMIIJ-UHFFFAOYSA-N 1 1 320.345 2.240 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)n1 ZINC000595786438 358549304 /nfs/dbraw/zinc/54/93/04/358549304.db2.gz AGMGIJKCUNDCKO-UONOGXRCSA-N 1 1 308.382 2.072 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596086392 358607092 /nfs/dbraw/zinc/60/70/92/358607092.db2.gz YMSIZYDZTRKOER-NWDGAFQWSA-N 1 1 320.393 2.226 20 5 DEBDMO NC(=O)c1cc(NC[C@@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000596211811 358641213 /nfs/dbraw/zinc/64/12/13/358641213.db2.gz WQNDCZKLRVOIEL-ZDUSSCGKSA-N 1 1 318.377 2.123 20 5 DEBDMO Cc1cc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596224288 358645365 /nfs/dbraw/zinc/64/53/65/358645365.db2.gz ZJLOHGISEUMWEE-JTQLQIEISA-N 1 1 313.423 2.246 20 5 DEBDMO O=c1[nH]ccc(NC[C@H]2CC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596558573 358713174 /nfs/dbraw/zinc/71/31/74/358713174.db2.gz RBEHBTULANCIIQ-CYBMUJFWSA-N 1 1 314.345 2.382 20 5 DEBDMO CC(C)c1ccc(C[NH+]2CCC(O)(CO)CC2)cc1[N+](=O)[O-] ZINC000597206710 358854611 /nfs/dbraw/zinc/85/46/11/358854611.db2.gz RKDKHQYIZSQEDY-UHFFFAOYSA-N 1 1 308.378 2.037 20 5 DEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000597716131 358985932 /nfs/dbraw/zinc/98/59/32/358985932.db2.gz OAZWNYVFZFKFHV-MRXNPFEDSA-N 1 1 303.362 2.153 20 5 DEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000597715593 358985965 /nfs/dbraw/zinc/98/59/65/358985965.db2.gz NKQWGXUZPWVPEB-MRXNPFEDSA-N 1 1 321.352 2.292 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000598341595 359169111 /nfs/dbraw/zinc/16/91/11/359169111.db2.gz DJAYNQIPWMZZBF-AWEZNQCLSA-N 1 1 305.378 2.046 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)C1 ZINC000598341964 359169213 /nfs/dbraw/zinc/16/92/13/359169213.db2.gz JPAZUMBRVLJDQO-CQSZACIVSA-N 1 1 305.378 2.371 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000598343858 359169846 /nfs/dbraw/zinc/16/98/46/359169846.db2.gz WWSRQEKEOBCLKI-CYBMUJFWSA-N 1 1 319.405 2.473 20 5 DEBDMO Cc1c(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000618866148 363621617 /nfs/dbraw/zinc/62/16/17/363621617.db2.gz USPHVYGWTQPIKN-OAHLLOKOSA-N 1 1 303.362 2.146 20 5 DEBDMO Cc1cc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])on1 ZINC000429235872 237357277 /nfs/dbraw/zinc/35/72/77/237357277.db2.gz KDXFTJUYGJKLBX-UHFFFAOYSA-N 1 1 318.333 2.355 20 5 DEBDMO Cc1c(CC(=O)NC[C@H]2CCCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000600313643 359719743 /nfs/dbraw/zinc/71/97/43/359719743.db2.gz IWRVDASRQBJPPD-CQSZACIVSA-N 1 1 319.405 2.294 20 5 DEBDMO C[N@@H+](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000601039243 359901862 /nfs/dbraw/zinc/90/18/62/359901862.db2.gz HBNCZWVKSORMKS-UHFFFAOYSA-N 1 1 309.341 2.338 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000600998705 359887240 /nfs/dbraw/zinc/88/72/40/359887240.db2.gz PHTJFQLYQMNNEQ-NEPJUHHUSA-N 1 1 307.325 2.091 20 5 DEBDMO CN(CC1(O)CCOCC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601150889 359942811 /nfs/dbraw/zinc/94/28/11/359942811.db2.gz HKSOSLGPYXSOBI-UHFFFAOYSA-N 1 1 317.345 2.121 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000601191064 359958764 /nfs/dbraw/zinc/95/87/64/359958764.db2.gz GNNRFWINWYRZEF-SNVBAGLBSA-N 1 1 309.395 2.225 20 5 DEBDMO C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[S@@](=O)C1 ZINC000601156217 359946192 /nfs/dbraw/zinc/94/61/92/359946192.db2.gz UIFSLTQZMCOAFI-KPWVOAKYSA-N 1 1 319.386 2.348 20 5 DEBDMO CNC(=O)CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602458462 360384325 /nfs/dbraw/zinc/38/43/25/360384325.db2.gz HNCOSXUAWWZIAP-UHFFFAOYSA-N 1 1 319.283 2.182 20 5 DEBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602797899 360560050 /nfs/dbraw/zinc/56/00/50/360560050.db2.gz LDKNJBUZSLXHFR-CYBMUJFWSA-N 1 1 318.381 2.277 20 5 DEBDMO Cc1[nH+]ccn1Cc1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603217734 360751516 /nfs/dbraw/zinc/75/15/16/360751516.db2.gz JPGAAPOFLUBGCD-NSHDSACASA-N 1 1 312.333 2.349 20 5 DEBDMO Cc1[nH+]ccn1Cc1cn(Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000603195365 360741355 /nfs/dbraw/zinc/74/13/55/360741355.db2.gz ISIOGTIGAZZTIB-UHFFFAOYSA-N 1 1 312.333 2.096 20 5 DEBDMO COc1cc([N+](=O)[O-])cn(C[C@H]2CCCC[N@H+]2C(C)C)c1=O ZINC000603360245 360806359 /nfs/dbraw/zinc/80/63/59/360806359.db2.gz YFTIXPILIRUGCZ-GFCCVEGCSA-N 1 1 309.366 2.028 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)CC(F)(F)F ZINC000603426644 360830246 /nfs/dbraw/zinc/83/02/46/360830246.db2.gz HZBFZVCYVAOSPP-SNVBAGLBSA-N 1 1 322.283 2.396 20 5 DEBDMO C[C@@H](NC(=O)N1CC[N@@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000603430804 360830880 /nfs/dbraw/zinc/83/08/80/360830880.db2.gz CWZWYCFFKVETEC-GFCCVEGCSA-N 1 1 320.393 2.391 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271919787 209324951 /nfs/dbraw/zinc/32/49/51/209324951.db2.gz SPOQSGWOLZXPFR-UHFFFAOYSA-N 1 1 317.389 2.251 20 5 DEBDMO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281393865 216269494 /nfs/dbraw/zinc/26/94/94/216269494.db2.gz NATOBHSVNVZRLB-WFASDCNBSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281393865 216269499 /nfs/dbraw/zinc/26/94/99/216269499.db2.gz NATOBHSVNVZRLB-WFASDCNBSA-N 1 1 321.377 2.423 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)CCCn1cc[nH+]c1C ZINC000192707157 200926737 /nfs/dbraw/zinc/92/67/37/200926737.db2.gz IHNFSFATFUWFGG-UHFFFAOYSA-N 1 1 306.370 2.151 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@@H+](CC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000611087998 361525557 /nfs/dbraw/zinc/52/55/57/361525557.db2.gz XHBOOHNGSBIAJM-GFCCVEGCSA-N 1 1 305.378 2.323 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@H+](CC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000611087998 361525565 /nfs/dbraw/zinc/52/55/65/361525565.db2.gz XHBOOHNGSBIAJM-GFCCVEGCSA-N 1 1 305.378 2.323 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611259333 361564709 /nfs/dbraw/zinc/56/47/09/361564709.db2.gz BCLIIWCHVRVGHF-WDEREUQCSA-N 1 1 304.350 2.260 20 5 DEBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000194582530 201255808 /nfs/dbraw/zinc/25/58/08/201255808.db2.gz ZEMZFEKIDGAYCV-DOMZBBRYSA-N 1 1 323.349 2.486 20 5 DEBDMO C[C@@H]1[C@H](C)N(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000611714724 361665624 /nfs/dbraw/zinc/66/56/24/361665624.db2.gz YPLDSGBDYVSQHN-MNOVXSKESA-N 1 1 301.350 2.067 20 5 DEBDMO CO[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000611943756 361708939 /nfs/dbraw/zinc/70/89/39/361708939.db2.gz UXFFLJLNCMJDAH-ZDUSSCGKSA-N 1 1 321.377 2.343 20 5 DEBDMO CO[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000611943756 361708946 /nfs/dbraw/zinc/70/89/46/361708946.db2.gz UXFFLJLNCMJDAH-ZDUSSCGKSA-N 1 1 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Cc1cnc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000532166818 284661482 /nfs/dbraw/zinc/66/14/82/284661482.db2.gz HVCMRWPFJTUDRN-UONOGXRCSA-N 1 1 320.393 2.354 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493367665 249285598 /nfs/dbraw/zinc/28/55/98/249285598.db2.gz KWTDUERXHABDTC-RSPDNQDQSA-N 1 1 305.378 2.453 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000273934905 211189031 /nfs/dbraw/zinc/18/90/31/211189031.db2.gz IVOGCCZDAZLYBS-QWHCGFSZSA-N 1 1 316.317 2.181 20 5 DEBDMO C[C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057718134 184049316 /nfs/dbraw/zinc/04/93/16/184049316.db2.gz OAMVIMIYKCCNFK-OFFHKIPUSA-N 1 1 303.362 2.207 20 5 DEBDMO Cc1cc(=O)n(CC[N@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000185695118 207367224 /nfs/dbraw/zinc/36/72/24/207367224.db2.gz TWLBSVUJKZZAFM-UHFFFAOYSA-N 1 1 319.336 2.336 20 5 DEBDMO Cc1cc(Cl)c(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000294915414 224308036 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C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 ZINC000373636041 133398622 /nfs/dbraw/zinc/39/86/22/133398622.db2.gz ICFYWRZLYRMFBX-CZUORRHYSA-N 1 1 306.362 2.365 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 ZINC000373636041 133398623 /nfs/dbraw/zinc/39/86/23/133398623.db2.gz ICFYWRZLYRMFBX-CZUORRHYSA-N 1 1 306.362 2.365 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000246836498 145116349 /nfs/dbraw/zinc/11/63/49/145116349.db2.gz QIJZAOKWQIONTA-LALPHHSUSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751263 145363923 /nfs/dbraw/zinc/36/39/23/145363923.db2.gz HXECMHDWEZLRFA-VBNZEHGJSA-N 1 1 305.378 2.109 20 5 DEBDMO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751263 145363925 /nfs/dbraw/zinc/36/39/25/145363925.db2.gz HXECMHDWEZLRFA-VBNZEHGJSA-N 1 1 305.378 2.109 20 5 DEBDMO C[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1C 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COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000050068875 402024674 /nfs/dbraw/zinc/02/46/74/402024674.db2.gz NPTPPORSMXCJEU-VIFPVBQESA-N 1 1 300.742 2.489 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000121461111 402037566 /nfs/dbraw/zinc/03/75/66/402037566.db2.gz DTSSUYGPBDTLBH-LLVKDONJSA-N 1 1 323.418 2.388 20 5 DEBDMO C[N@@H+](CCc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053048246 402050521 /nfs/dbraw/zinc/05/05/21/402050521.db2.gz MOSGNERUENNECV-UHFFFAOYSA-N 1 1 313.357 2.368 20 5 DEBDMO COc1ccc(NC(=O)CC[N@@H+](C)CC2CC2)c([N+](=O)[O-])c1 ZINC000053184850 402052391 /nfs/dbraw/zinc/05/23/91/402052391.db2.gz VXWSCZZODAAIQE-UHFFFAOYSA-N 1 1 307.350 2.274 20 5 DEBDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000122607857 402086644 /nfs/dbraw/zinc/08/66/44/402086644.db2.gz DTUDKTXZVLCULM-SBJJXXPASA-N 1 1 303.362 2.161 20 5 DEBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000122607857 402086646 /nfs/dbraw/zinc/08/66/46/402086646.db2.gz DTUDKTXZVLCULM-SBJJXXPASA-N 1 1 303.362 2.161 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000152729095 402105938 /nfs/dbraw/zinc/10/59/38/402105938.db2.gz DNYJLPXDNAIFIR-TXEJJXNPSA-N 1 1 319.361 2.274 20 5 DEBDMO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000153979205 402184468 /nfs/dbraw/zinc/18/44/68/402184468.db2.gz YPTZHPLBQDFFBE-ZDUSSCGKSA-N 1 1 323.418 2.240 20 5 DEBDMO Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000154024350 402187972 /nfs/dbraw/zinc/18/79/72/402187972.db2.gz WGWYJVBDAJDGHE-ZFWWWQNUSA-N 1 1 317.389 2.460 20 5 DEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000154176895 402197047 /nfs/dbraw/zinc/19/70/47/402197047.db2.gz KPDOVWBSTVNIDT-GFCCVEGCSA-N 1 1 309.366 2.428 20 5 DEBDMO Cc1c(CC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000125177843 402217686 /nfs/dbraw/zinc/21/76/86/402217686.db2.gz CSYSEWCORUATEJ-SWLSCSKDSA-N 1 1 319.405 2.244 20 5 DEBDMO CC(C)[NH+]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000184797263 402301017 /nfs/dbraw/zinc/30/10/17/402301017.db2.gz JGMPUOSGOFFFHO-LBPRGKRZSA-N 1 1 323.368 2.390 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000177038266 402362508 /nfs/dbraw/zinc/36/25/08/402362508.db2.gz USOMGHUSIPPUFM-FBSVMCMJSA-N 1 1 315.373 2.349 20 5 DEBDMO CC[N@@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162450843 402420387 /nfs/dbraw/zinc/42/03/87/402420387.db2.gz WRVRQGDCIJDWTI-UHFFFAOYSA-N 1 1 303.156 2.172 20 5 DEBDMO COC(=O)[C@]1(C)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000186394970 402427738 /nfs/dbraw/zinc/42/77/38/402427738.db2.gz PDAFJPFZNLFRRS-INIZCTEOSA-N 1 1 322.361 2.391 20 5 DEBDMO COC(=O)[C@]1(C)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000186394970 402427741 /nfs/dbraw/zinc/42/77/41/402427741.db2.gz PDAFJPFZNLFRRS-INIZCTEOSA-N 1 1 322.361 2.391 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177731376 402431070 /nfs/dbraw/zinc/43/10/70/402431070.db2.gz FJJSEQXQVVGQFB-WCQYABFASA-N 1 1 318.377 2.019 20 5 DEBDMO C[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177868752 402441937 /nfs/dbraw/zinc/44/19/37/402441937.db2.gz ZXJREOLWKZPMOQ-NWDGAFQWSA-N 1 1 303.362 2.214 20 5 DEBDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249329414 402626085 /nfs/dbraw/zinc/62/60/85/402626085.db2.gz HHXOIMMXSSDFME-BPLDGKMQSA-N 1 1 310.398 2.053 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](OCCO)C1 ZINC000182791511 402716277 /nfs/dbraw/zinc/71/62/77/402716277.db2.gz UTPCDWADBTYUKH-HIFRSBDPSA-N 1 1 308.378 2.438 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000254967898 402673705 /nfs/dbraw/zinc/67/37/05/402673705.db2.gz CESCYOOMGOAEKW-YXVBKTCISA-N 1 1 303.362 2.066 20 5 DEBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000255013302 402675114 /nfs/dbraw/zinc/67/51/14/402675114.db2.gz CULOBEKWXCFJLT-WHLNPGIBSA-N 1 1 315.373 2.305 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255302421 402683582 /nfs/dbraw/zinc/68/35/82/402683582.db2.gz MYTVVUSTPSSONM-CXOKCQFOSA-N 1 1 317.389 2.407 20 5 DEBDMO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)N(C)C ZINC000191733163 402689076 /nfs/dbraw/zinc/68/90/76/402689076.db2.gz MSHCHKNRPDEMTN-NSHDSACASA-N 1 1 317.345 2.421 20 5 DEBDMO CCc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000173471224 402698847 /nfs/dbraw/zinc/69/88/47/402698847.db2.gz WDXRLFGJJLHTCY-CQSZACIVSA-N 1 1 305.378 2.323 20 5 DEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000194910583 402822402 /nfs/dbraw/zinc/82/24/02/402822402.db2.gz HMEMKSZDGALOHD-CYBMUJFWSA-N 1 1 320.393 2.148 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)c1cnn(C)c1 ZINC000271412970 402868148 /nfs/dbraw/zinc/86/81/48/402868148.db2.gz AUMRVINIDSHVQH-XHDPSFHLSA-N 1 1 304.350 2.021 20 5 DEBDMO C[C@@H](NC(=O)NCC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000264860314 402892254 /nfs/dbraw/zinc/89/22/54/402892254.db2.gz NKGWTJLMRRYRGU-LLVKDONJSA-N 1 1 306.366 2.049 20 5 DEBDMO C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280145876 402968643 /nfs/dbraw/zinc/96/86/43/402968643.db2.gz RHXFMJFCZBXEAS-MRXNPFEDSA-N 1 1 321.377 2.160 20 5 DEBDMO CO[C@@H](C)CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272521589 402948090 /nfs/dbraw/zinc/94/80/90/402948090.db2.gz LFBCGOQPCRAORZ-SWLSCSKDSA-N 1 1 318.377 2.432 20 5 DEBDMO COC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000265778061 402948689 /nfs/dbraw/zinc/94/86/89/402948689.db2.gz JXIAPTWKALVPNZ-STQMWFEESA-N 1 1 321.377 2.199 20 5 DEBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272593915 402956864 /nfs/dbraw/zinc/95/68/64/402956864.db2.gz PTSBVULYFZBQCP-WCQYABFASA-N 1 1 317.345 2.453 20 5 DEBDMO C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000266099542 402966405 /nfs/dbraw/zinc/96/64/05/402966405.db2.gz PRAVLYZOOOHZDQ-UHFFFAOYSA-N 1 1 314.183 2.499 20 5 DEBDMO C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000266099542 402966407 /nfs/dbraw/zinc/96/64/07/402966407.db2.gz PRAVLYZOOOHZDQ-UHFFFAOYSA-N 1 1 314.183 2.499 20 5 DEBDMO COC(=O)C1=C(C)O[C@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000272231222 402912372 /nfs/dbraw/zinc/91/23/72/402912372.db2.gz FXWBFZIQSIVFRG-ZDUSSCGKSA-N 1 1 320.345 2.263 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@](C)(O)CC1 ZINC000279255083 402922747 /nfs/dbraw/zinc/92/27/47/402922747.db2.gz AJWJMPDMSAGHRP-LRDDRELGSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@H](CO)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000280361338 402992191 /nfs/dbraw/zinc/99/21/91/402992191.db2.gz JUANGLSWXLZJDM-WBMJQRKESA-N 1 1 308.378 2.111 20 5 DEBDMO C[N@@H+](CCOc1ccccc1Cl)CCn1ccc([N+](=O)[O-])n1 ZINC000267104171 403015537 /nfs/dbraw/zinc/01/55/37/403015537.db2.gz VHUDEPABTXKXAO-UHFFFAOYSA-N 1 1 324.768 2.456 20 5 DEBDMO CCCC[N@@H+](CCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266522436 402970477 /nfs/dbraw/zinc/97/04/77/402970477.db2.gz JCBXURQBESPRND-UHFFFAOYSA-N 1 1 312.366 2.077 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000268095220 403048344 /nfs/dbraw/zinc/04/83/44/403048344.db2.gz CEZQVWYGWCVYPY-IINYFYTJSA-N 1 1 304.350 2.199 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000274401880 403051889 /nfs/dbraw/zinc/05/18/89/403051889.db2.gz APAHHACWMKXMRW-AWEZNQCLSA-N 1 1 305.378 2.126 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000268143619 403054050 /nfs/dbraw/zinc/05/40/50/403054050.db2.gz DSJZPNIPQBSGPG-FJUBQESYSA-N 1 1 315.373 2.207 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000274505542 403062167 /nfs/dbraw/zinc/06/21/67/403062167.db2.gz PYIYTKUBDJLLMX-CQSZACIVSA-N 1 1 305.378 2.126 20 5 DEBDMO Cc1c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000268238853 403064920 /nfs/dbraw/zinc/06/49/20/403064920.db2.gz OLPWAEQSHQRFQI-HZMBPMFUSA-N 1 1 303.362 2.116 20 5 DEBDMO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268247769 403066723 /nfs/dbraw/zinc/06/67/23/403066723.db2.gz PZFKWNVLYVKWKA-BXUZGUMPSA-N 1 1 303.362 2.116 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275545525 403104835 /nfs/dbraw/zinc/10/48/35/403104835.db2.gz ZTLWTLWLIAXDIN-RISCZKNCSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275545525 403104836 /nfs/dbraw/zinc/10/48/36/403104836.db2.gz ZTLWTLWLIAXDIN-RISCZKNCSA-N 1 1 321.377 2.015 20 5 DEBDMO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000270680336 403212462 /nfs/dbraw/zinc/21/24/62/403212462.db2.gz CJWUHCQHJUCQIM-WFASDCNBSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000270680336 403212464 /nfs/dbraw/zinc/21/24/64/403212464.db2.gz CJWUHCQHJUCQIM-WFASDCNBSA-N 1 1 321.377 2.423 20 5 DEBDMO CC(=O)c1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000283902052 403231643 /nfs/dbraw/zinc/23/16/43/403231643.db2.gz WEISRYUZIDBANL-OCCSQVGLSA-N 1 1 303.362 2.470 20 5 DEBDMO CCC[C@]1(CO)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277648730 403241368 /nfs/dbraw/zinc/24/13/68/403241368.db2.gz CSQHIADQUQHBOW-MRXNPFEDSA-N 1 1 321.377 2.160 20 5 DEBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277813195 403259912 /nfs/dbraw/zinc/25/99/12/403259912.db2.gz HCRHQWYCLSCINQ-OAHLLOKOSA-N 1 1 317.389 2.270 20 5 DEBDMO COc1ccc(OCCN2C[C@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000330595945 403285207 /nfs/dbraw/zinc/28/52/07/403285207.db2.gz RGQQMWJOMOHYSW-STQMWFEESA-N 1 1 323.393 2.007 20 5 DEBDMO C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[N@@H+](C)C1CC1 ZINC000342897125 403388689 /nfs/dbraw/zinc/38/86/89/403388689.db2.gz DNIDIALOBLWXBR-JTQLQIEISA-N 1 1 316.361 2.289 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC[C@H]3CCCCO3)C2)nc1 ZINC000331497173 403400204 /nfs/dbraw/zinc/40/02/04/403400204.db2.gz BDKHTTYHUMAQIR-DZGCQCFKSA-N 1 1 320.393 2.435 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000298765939 403459509 /nfs/dbraw/zinc/45/95/09/403459509.db2.gz WDGWDJQHVKMUQV-ZIAGYGMSSA-N 1 1 304.350 2.343 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000286251477 403482158 /nfs/dbraw/zinc/48/21/58/403482158.db2.gz AQSQINCEJPIDLY-JTQLQIEISA-N 1 1 310.329 2.292 20 5 DEBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298926758 403487590 /nfs/dbraw/zinc/48/75/90/403487590.db2.gz AGTZSMDMQNQMBZ-GRLYAWNKSA-N 1 1 315.373 2.351 20 5 DEBDMO C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1CO ZINC000332239489 403526019 /nfs/dbraw/zinc/52/60/19/403526019.db2.gz UUJJSTIHZGIDOQ-ABAIWWIYSA-N 1 1 322.361 2.054 20 5 DEBDMO C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1CO ZINC000332239489 403526023 /nfs/dbraw/zinc/52/60/23/403526023.db2.gz UUJJSTIHZGIDOQ-ABAIWWIYSA-N 1 1 322.361 2.054 20 5 DEBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000332239025 403526101 /nfs/dbraw/zinc/52/61/01/403526101.db2.gz ICFYBVMEFCSMQT-KGLIPLIRSA-N 1 1 303.362 2.260 20 5 DEBDMO CCOC1CC([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000286985828 403550437 /nfs/dbraw/zinc/55/04/37/403550437.db2.gz PARYVRQPFKESKH-UHFFFAOYSA-N 1 1 321.377 2.057 20 5 DEBDMO CCOC1CC([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000286985828 403550446 /nfs/dbraw/zinc/55/04/46/403550446.db2.gz PARYVRQPFKESKH-UHFFFAOYSA-N 1 1 321.377 2.057 20 5 DEBDMO Cc1ccc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286406369 403519194 /nfs/dbraw/zinc/51/91/94/403519194.db2.gz PYJPVHNFGPIYNE-KBPBESRZSA-N 1 1 305.378 2.203 20 5 DEBDMO CC[C@H](C)[N@@H+](CCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000287494591 403609929 /nfs/dbraw/zinc/60/99/29/403609929.db2.gz SYPQNQBMJZQRIN-LBPRGKRZSA-N 1 1 312.366 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2.319 20 5 DEBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000412033704 404071603 /nfs/dbraw/zinc/07/16/03/404071603.db2.gz SDYOXMUMVKLMNY-CYBMUJFWSA-N 1 1 301.350 2.319 20 5 DEBDMO Cc1nc([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000412033704 404071605 /nfs/dbraw/zinc/07/16/05/404071605.db2.gz SDYOXMUMVKLMNY-CYBMUJFWSA-N 1 1 301.350 2.319 20 5 DEBDMO Cc1nc([C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000412033704 404071611 /nfs/dbraw/zinc/07/16/11/404071611.db2.gz SDYOXMUMVKLMNY-CYBMUJFWSA-N 1 1 301.350 2.319 20 5 DEBDMO Cn1cc[nH+]c1CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344419392 404123782 /nfs/dbraw/zinc/12/37/82/404123782.db2.gz NFOGPKWDIKUBHH-UHFFFAOYSA-N 1 1 301.350 2.182 20 5 DEBDMO COC[C@@]1(C(=O)OC)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000296313256 404191219 /nfs/dbraw/zinc/19/12/19/404191219.db2.gz OHOSQTGHAOZOEJ-BLLLJJGKSA-N 1 1 322.361 2.167 20 5 DEBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000352196074 404205306 /nfs/dbraw/zinc/20/53/06/404205306.db2.gz WIADKVHXURUWEG-LBPRGKRZSA-N 1 1 310.350 2.093 20 5 DEBDMO COc1cc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000344625818 404270000 /nfs/dbraw/zinc/27/00/00/404270000.db2.gz JTWVCJBORGLECU-AAEUAGOBSA-N 1 1 323.393 2.184 20 5 DEBDMO COCC[C@@]1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCOC1 ZINC000352414302 404353394 /nfs/dbraw/zinc/35/33/94/404353394.db2.gz SVLOUXXJVUZWRA-CQSZACIVSA-N 1 1 316.304 2.158 20 5 DEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364073927 404307338 /nfs/dbraw/zinc/30/73/38/404307338.db2.gz LVGMNKHNDYGOQF-LSDHHAIUSA-N 1 1 317.389 2.270 20 5 DEBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]CCc1n[nH]c(C)n1 ZINC000344804022 404379043 /nfs/dbraw/zinc/37/90/43/404379043.db2.gz BKMASLVQSCMHMW-FLIBITNWSA-N 1 1 301.350 2.257 20 5 DEBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nnc(C)[nH]1 ZINC000344804022 404379050 /nfs/dbraw/zinc/37/90/50/404379050.db2.gz BKMASLVQSCMHMW-FLIBITNWSA-N 1 1 301.350 2.257 20 5 DEBDMO Cc1c(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291785883 404520650 /nfs/dbraw/zinc/52/06/50/404520650.db2.gz MMSGHRHSZJYMER-LBPRGKRZSA-N 1 1 300.305 2.353 20 5 DEBDMO Cc1c(C[N@H+]2CCC(F)(F)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291785883 404520653 /nfs/dbraw/zinc/52/06/53/404520653.db2.gz MMSGHRHSZJYMER-LBPRGKRZSA-N 1 1 300.305 2.353 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000373777553 404587432 /nfs/dbraw/zinc/58/74/32/404587432.db2.gz MWJKNCCMHZUJSK-TZMCWYRMSA-N 1 1 306.362 2.462 20 5 DEBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297285311 404534390 /nfs/dbraw/zinc/53/43/90/404534390.db2.gz XONFJEYVZNKYJI-LBPRGKRZSA-N 1 1 316.365 2.294 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291858456 404554353 /nfs/dbraw/zinc/55/43/53/404554353.db2.gz PHTYOISUAXQOJI-CYBMUJFWSA-N 1 1 302.334 2.117 20 5 DEBDMO CC[N@@H+](CCNC(=O)NCc1ccccc1[N+](=O)[O-])C(C)C ZINC000338804690 404556481 /nfs/dbraw/zinc/55/64/81/404556481.db2.gz VOWZLGOMCFPHEQ-UHFFFAOYSA-N 1 1 308.382 2.124 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000292069279 404653551 /nfs/dbraw/zinc/65/35/51/404653551.db2.gz KWTDUERXHABDTC-UTSBKAFOSA-N 1 1 305.378 2.453 20 5 DEBDMO CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000330447980 404662164 /nfs/dbraw/zinc/66/21/64/404662164.db2.gz IJNZOQULXIRFOD-GXTWGEPZSA-N 1 1 305.378 2.456 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C ZINC000352783325 404618478 /nfs/dbraw/zinc/61/84/78/404618478.db2.gz JIEDXSPCCDEWRP-GFCCVEGCSA-N 1 1 308.382 2.167 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000330581081 404692804 /nfs/dbraw/zinc/69/28/04/404692804.db2.gz QJHCSZGSYJLFDB-GHMZBOCLSA-N 1 1 309.341 2.289 20 5 DEBDMO COCCCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353462766 404837581 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WMLZMOVISBOCKB-CYBMUJFWSA-N 1 1 321.377 2.079 20 5 DEBDMO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000420932731 405408417 /nfs/dbraw/zinc/40/84/17/405408417.db2.gz FIQRPEWPMSFFIL-MNOVXSKESA-N 1 1 305.334 2.186 20 5 DEBDMO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447522437 405417342 /nfs/dbraw/zinc/41/73/42/405417342.db2.gz YQRODHBSCVVABT-KGLIPLIRSA-N 1 1 323.441 2.452 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446107746 405372704 /nfs/dbraw/zinc/37/27/04/405372704.db2.gz IIYYZTCWUKXANS-CYBMUJFWSA-N 1 1 305.378 2.080 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421028290 405435111 /nfs/dbraw/zinc/43/51/11/405435111.db2.gz BHDPSBDYSJWJSL-CYBMUJFWSA-N 1 1 306.366 2.461 20 5 DEBDMO C[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000429571384 405437977 /nfs/dbraw/zinc/43/79/77/405437977.db2.gz RBYBMPGXKVQATL-MCIONIFRSA-N 1 1 308.378 2.455 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000493795029 405561340 /nfs/dbraw/zinc/56/13/40/405561340.db2.gz SVWWJYQSAHDSES-KIUWMYQTSA-N 1 1 317.389 2.456 20 5 DEBDMO CCc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000421705771 405599094 /nfs/dbraw/zinc/59/90/94/405599094.db2.gz SDRTUOXVMZPASH-CQSZACIVSA-N 1 1 305.378 2.323 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000457084281 405688163 /nfs/dbraw/zinc/68/81/63/405688163.db2.gz GJKBTRGHUFAJOY-AWEZNQCLSA-N 1 1 323.368 2.218 20 5 DEBDMO COc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457097523 405696855 /nfs/dbraw/zinc/69/68/55/405696855.db2.gz SBDFHIUMCYARCK-GFCCVEGCSA-N 1 1 321.377 2.158 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000560433466 405816146 /nfs/dbraw/zinc/81/61/46/405816146.db2.gz SPIJHRAXRQOSDU-GFCCVEGCSA-N 1 1 310.329 2.292 20 5 DEBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000459749875 406032227 /nfs/dbraw/zinc/03/22/27/406032227.db2.gz ZIIZOZLYQBKWSU-CQSZACIVSA-N 1 1 308.378 2.455 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000562563621 406035114 /nfs/dbraw/zinc/03/51/14/406035114.db2.gz PKKWONXIPNTJBR-CYBMUJFWSA-N 1 1 305.378 2.363 20 5 DEBDMO C[C@@H]1C[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1 ZINC000532581564 406086073 /nfs/dbraw/zinc/08/60/73/406086073.db2.gz XSCYRTSHQZCKDV-VXGBXAGGSA-N 1 1 323.418 2.383 20 5 DEBDMO COc1ccc(NC(=O)[C@@H]2CCCc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000487032574 406199673 /nfs/dbraw/zinc/19/96/73/406199673.db2.gz HCNHATJWBXWLBD-NSHDSACASA-N 1 1 316.317 2.316 20 5 DEBDMO Cc1nc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488729951 406341465 /nfs/dbraw/zinc/34/14/65/406341465.db2.gz GXECKQAKUQBGMW-SLEUVZQESA-N 1 1 304.394 2.465 20 5 DEBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H]1C ZINC000489461633 406409210 /nfs/dbraw/zinc/40/92/10/406409210.db2.gz WMJPIQMTAKVECV-XJKSGUPXSA-N 1 1 308.378 2.263 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000525803838 406503571 /nfs/dbraw/zinc/50/35/71/406503571.db2.gz SLUYKLYTLSWUIY-JTQLQIEISA-N 1 1 311.769 2.320 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000491940678 406784706 /nfs/dbraw/zinc/78/47/06/406784706.db2.gz RBSPHOIRKZWNNK-LVDDQXARSA-N 1 1 303.362 2.066 20 5 DEBDMO C[C@@H]1CSCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411298471 227381519 /nfs/dbraw/zinc/38/15/19/227381519.db2.gz VGCYISGLNJKOOG-LLVKDONJSA-N 1 1 309.391 2.361 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000421797854 230000831 /nfs/dbraw/zinc/00/08/31/230000831.db2.gz VXWMJPQCRFXQMO-CHWSQXEVSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000421797854 230000835 /nfs/dbraw/zinc/00/08/35/230000835.db2.gz VXWMJPQCRFXQMO-CHWSQXEVSA-N 1 1 305.378 2.376 20 5 DEBDMO O=[N+]([O-])c1cnc(NCCc2[nH+]ccn2Cc2ccccc2)nc1 ZINC000302139745 230117379 /nfs/dbraw/zinc/11/73/79/230117379.db2.gz DGHSDSXCBMPQJR-UHFFFAOYSA-N 1 1 324.344 2.284 20 5 DEBDMO C[C@@H]1C[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000422624986 230156950 /nfs/dbraw/zinc/15/69/50/230156950.db2.gz AGUISUWXPPPBLA-MCIONIFRSA-N 1 1 307.394 2.279 20 5 DEBDMO COc1cccnc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834904747 649859132 /nfs/dbraw/zinc/85/91/32/649859132.db2.gz CDFFANSLBIADRT-SNVBAGLBSA-N 1 1 302.334 2.431 20 5 DEBDMO CC(C)[N@H+]1CCCC[C@H]1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC000569746116 424924446 /nfs/dbraw/zinc/92/44/46/424924446.db2.gz YPAUIHYEWXZYSI-JTQLQIEISA-N 1 1 311.411 2.322 20 5 DEBDMO O=[N+]([O-])c1cc2ccccc2nc1NCC[NH+]1CCSCC1 ZINC000352361629 425045704 /nfs/dbraw/zinc/04/57/04/425045704.db2.gz SELIAGCVRKOMHO-UHFFFAOYSA-N 1 1 318.402 2.604 20 5 DEBDMO CC1(C)CCC[N@H+]1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000450946659 425083759 /nfs/dbraw/zinc/08/37/59/425083759.db2.gz ARMPKYXJEKKWGU-UHFFFAOYSA-N 1 1 315.377 2.824 20 5 DEBDMO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000334041790 269010293 /nfs/dbraw/zinc/01/02/93/269010293.db2.gz DAIQUVMRUKGDDC-AAEUAGOBSA-N 1 1 321.377 2.206 20 5 DEBDMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000398666625 269109400 /nfs/dbraw/zinc/10/94/00/269109400.db2.gz CNEVUCYHUAAWHC-MJBXVCDLSA-N 1 1 306.362 2.196 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430239476 269127122 /nfs/dbraw/zinc/12/71/22/269127122.db2.gz NBIBDTNZGKFEJL-BXUZGUMPSA-N 1 1 322.361 2.234 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430239476 269127124 /nfs/dbraw/zinc/12/71/24/269127124.db2.gz NBIBDTNZGKFEJL-BXUZGUMPSA-N 1 1 322.361 2.234 20 5 DEBDMO CSC[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000135451953 274177804 /nfs/dbraw/zinc/17/78/04/274177804.db2.gz YJVUTHUYPHHFLJ-AWEZNQCLSA-N 1 1 323.418 2.385 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000276966194 290240078 /nfs/dbraw/zinc/24/00/78/290240078.db2.gz DYIIPMXXCWNLPD-QWRGUYRKSA-N 1 1 308.357 2.237 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000366649876 295028030 /nfs/dbraw/zinc/02/80/30/295028030.db2.gz YCQUPARUAAVBSO-DZGCQCFKSA-N 1 1 324.402 2.310 20 5 DEBDMO CC(=O)c1cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000367718704 518291821 /nfs/dbraw/zinc/29/18/21/518291821.db2.gz ZEOSOKVWOTUTCL-KGLIPLIRSA-N 1 1 319.361 2.073 20 5 DEBDMO CCOCCO[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000157859341 520032464 /nfs/dbraw/zinc/03/24/64/520032464.db2.gz YHLFFLZUOFDCPQ-AWEZNQCLSA-N 1 1 324.377 2.231 20 5 DEBDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000157859341 520032471 /nfs/dbraw/zinc/03/24/71/520032471.db2.gz YHLFFLZUOFDCPQ-AWEZNQCLSA-N 1 1 324.377 2.231 20 5 DEBDMO CCOCCO[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000157849296 520033746 /nfs/dbraw/zinc/03/37/46/520033746.db2.gz SFWXJYYVSVHGMA-AWEZNQCLSA-N 1 1 324.377 2.101 20 5 DEBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCC[C@H]1O ZINC000246912675 523181004 /nfs/dbraw/zinc/18/10/04/523181004.db2.gz RRSWOAITMITRIQ-XHDPSFHLSA-N 1 1 322.361 2.054 20 5 DEBDMO C[C@@H](C1CCCCC1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000338362238 524336913 /nfs/dbraw/zinc/33/69/13/524336913.db2.gz YFPMWLRQLNRMDA-WFASDCNBSA-N 1 1 310.398 2.053 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245500115 524898944 /nfs/dbraw/zinc/89/89/44/524898944.db2.gz ZNONJOLLCHURPR-BXUZGUMPSA-N 1 1 306.366 2.399 20 5 DEBDMO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337087921 526760775 /nfs/dbraw/zinc/76/07/75/526760775.db2.gz GPWYCYRIPLQTRN-KGLIPLIRSA-N 1 1 318.377 2.021 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000371598734 526919943 /nfs/dbraw/zinc/91/99/43/526919943.db2.gz YAGGBJRBPWIXIR-SNVBAGLBSA-N 1 1 309.391 2.403 20 5 DEBDMO CC1=CC[N@@H+](CCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000302149347 528122027 /nfs/dbraw/zinc/12/20/27/528122027.db2.gz KUOBELDMYVZYRH-UHFFFAOYSA-N 1 1 307.379 2.368 20 5 DEBDMO CCCCC[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444655461 528180362 /nfs/dbraw/zinc/18/03/62/528180362.db2.gz VKELWIFARTUVGB-UHFFFAOYSA-N 1 1 306.366 2.456 20 5 DEBDMO CN(C)C(=O)OCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001330600624 1149207994 /nfs/dbraw/zinc/20/79/94/1149207994.db2.gz DDYUVDDUIIHKPK-CQSZACIVSA-N 1 1 321.377 2.472 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000892893728 625692885 /nfs/dbraw/zinc/69/28/85/625692885.db2.gz PHWLQOKGWSEUGX-GFCCVEGCSA-N 1 1 308.382 2.388 20 5 DEBDMO Cn1ncc([N+](=O)[O-])c1NCCC[N@H+]1CCc2ccccc2C1 ZINC000891749372 624576326 /nfs/dbraw/zinc/57/63/26/624576326.db2.gz XSGRXQRDYZFVJK-UHFFFAOYSA-N 1 1 315.377 2.189 20 5 DEBDMO C[C@@]1(C2CC2)COCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934478935 624889766 /nfs/dbraw/zinc/88/97/66/624889766.db2.gz WMCUDZLRIHQMTC-CVEARBPZSA-N 1 1 306.362 2.129 20 5 DEBDMO C[C@@]1(C2CC2)COCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934478935 624889769 /nfs/dbraw/zinc/88/97/69/624889769.db2.gz WMCUDZLRIHQMTC-CVEARBPZSA-N 1 1 306.362 2.129 20 5 DEBDMO C[C@@]1(C2CC2)COCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934478938 624889803 /nfs/dbraw/zinc/88/98/03/624889803.db2.gz WMCUDZLRIHQMTC-HOTGVXAUSA-N 1 1 306.362 2.129 20 5 DEBDMO C[C@@]1(C2CC2)COCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934478938 624889804 /nfs/dbraw/zinc/88/98/04/624889804.db2.gz WMCUDZLRIHQMTC-HOTGVXAUSA-N 1 1 306.362 2.129 20 5 DEBDMO COc1c(O)ccc(CN[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000893126173 625127796 /nfs/dbraw/zinc/12/77/96/625127796.db2.gz IQNCZWXKIQOGPO-JQWIXIFHSA-N 1 1 321.377 2.024 20 5 DEBDMO COc1c(O)ccc(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000893126173 625127799 /nfs/dbraw/zinc/12/77/99/625127799.db2.gz IQNCZWXKIQOGPO-JQWIXIFHSA-N 1 1 321.377 2.024 20 5 DEBDMO COc1c(O)ccc(CNCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892574769 625162243 /nfs/dbraw/zinc/16/22/43/625162243.db2.gz MLCFIURGJDKFIK-GFCCVEGCSA-N 1 1 323.393 2.131 20 5 DEBDMO COc1c(O)ccc(C[NH2+]CCN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892574769 625162244 /nfs/dbraw/zinc/16/22/44/625162244.db2.gz MLCFIURGJDKFIK-GFCCVEGCSA-N 1 1 323.393 2.131 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)OCCC[N@H+]1CCO[C@H](C)C1 ZINC000893387084 633228232 /nfs/dbraw/zinc/22/82/32/633228232.db2.gz ADMSGVCCTHYQBZ-CYBMUJFWSA-N 1 1 322.361 2.171 20 5 DEBDMO Cc1cccc(NCCNc2ccc([N+](=O)[O-])c3nonc32)[nH+]1 ZINC000733994514 633307577 /nfs/dbraw/zinc/30/75/77/633307577.db2.gz MKOFCRCNXQVAMT-UHFFFAOYSA-N 1 1 314.305 2.358 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000893410214 633511163 /nfs/dbraw/zinc/51/11/63/633511163.db2.gz YZXIZVGOPUMZSR-DGCLKSJQSA-N 1 1 324.377 2.292 20 5 DEBDMO Cc1c(NC(=O)NCC[N@@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000929223229 633697800 /nfs/dbraw/zinc/69/78/00/633697800.db2.gz RKRDMEGUQRTZJS-NSHDSACASA-N 1 1 306.366 2.367 20 5 DEBDMO C[C@H]1[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000922556983 636239442 /nfs/dbraw/zinc/23/94/42/636239442.db2.gz LKVBWKMMPVIIJB-JOYOIKCWSA-N 1 1 315.320 2.378 20 5 DEBDMO C[C@H]1[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000922556983 636239445 /nfs/dbraw/zinc/23/94/45/636239445.db2.gz LKVBWKMMPVIIJB-JOYOIKCWSA-N 1 1 315.320 2.378 20 5 DEBDMO CCC[NH+](CCC)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000073755420 636426062 /nfs/dbraw/zinc/42/60/62/636426062.db2.gz SAWLZLSNQDFGFB-UHFFFAOYSA-N 1 1 305.334 2.270 20 5 DEBDMO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000923448453 637183115 /nfs/dbraw/zinc/18/31/15/637183115.db2.gz CHAILJCZVGTAMO-AWEZNQCLSA-N 1 1 323.368 2.064 20 5 DEBDMO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000923452476 637189277 /nfs/dbraw/zinc/18/92/77/637189277.db2.gz HFUGHBRKMURPCT-GFCCVEGCSA-N 1 1 323.368 2.064 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000895102103 637560606 /nfs/dbraw/zinc/56/06/06/637560606.db2.gz UCTJONBHRAAHQU-GFCCVEGCSA-N 1 1 309.414 2.286 20 5 DEBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000928556806 637679992 /nfs/dbraw/zinc/67/99/92/637679992.db2.gz QSSGBTVQJJIZKH-MRVPVSSYSA-N 1 1 318.160 2.336 20 5 DEBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000928556806 637679995 /nfs/dbraw/zinc/67/99/95/637679995.db2.gz QSSGBTVQJJIZKH-MRVPVSSYSA-N 1 1 318.160 2.336 20 5 DEBDMO COCC[N@@H+]1CC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000740006807 637771631 /nfs/dbraw/zinc/77/16/31/637771631.db2.gz OBYURSZHQUBZRL-CYBMUJFWSA-N 1 1 313.785 2.059 20 5 DEBDMO COCC[N@H+]1CC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000740006807 637771634 /nfs/dbraw/zinc/77/16/34/637771634.db2.gz OBYURSZHQUBZRL-CYBMUJFWSA-N 1 1 313.785 2.059 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000895843099 638221243 /nfs/dbraw/zinc/22/12/43/638221243.db2.gz JQOPJNXBSHYONJ-CQSZACIVSA-N 1 1 305.378 2.126 20 5 DEBDMO CC[N@H+]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000753903573 639355971 /nfs/dbraw/zinc/35/59/71/639355971.db2.gz DIPTZZFBYUZFPG-NSHDSACASA-N 1 1 308.407 2.318 20 5 DEBDMO CC(C)[C@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000755926402 639605416 /nfs/dbraw/zinc/60/54/16/639605416.db2.gz XPQNYJZATYWKEU-NSHDSACASA-N 1 1 305.334 2.438 20 5 DEBDMO CC(C)[C@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000755926402 639605419 /nfs/dbraw/zinc/60/54/19/639605419.db2.gz XPQNYJZATYWKEU-NSHDSACASA-N 1 1 305.334 2.438 20 5 DEBDMO CC(C)Oc1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000839691830 639794364 /nfs/dbraw/zinc/79/43/64/639794364.db2.gz HQKBWKFSRSCOMK-GFCCVEGCSA-N 1 1 321.377 2.158 20 5 DEBDMO CC(C)Oc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000839691830 639794372 /nfs/dbraw/zinc/79/43/72/639794372.db2.gz HQKBWKFSRSCOMK-GFCCVEGCSA-N 1 1 321.377 2.158 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000839728078 639827482 /nfs/dbraw/zinc/82/74/82/639827482.db2.gz JBUMKYCPYPGJAG-UHOFOFEASA-N 1 1 317.389 2.299 20 5 DEBDMO CCC[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000740859085 640185642 /nfs/dbraw/zinc/18/56/42/640185642.db2.gz NCUXEWUGHXMABG-MRVWCRGKSA-N 1 1 308.382 2.274 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000763403890 640539116 /nfs/dbraw/zinc/53/91/16/640539116.db2.gz GWSROOVJAIQXFX-NSHDSACASA-N 1 1 303.318 2.447 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000929118906 640771395 /nfs/dbraw/zinc/77/13/95/640771395.db2.gz WGVPJZUBLOGDLP-BXUZGUMPSA-N 1 1 304.350 2.071 20 5 DEBDMO CNc1c(C(=O)OCCCn2cc[nH+]c2C)cccc1[N+](=O)[O-] ZINC000765514792 640788497 /nfs/dbraw/zinc/78/84/97/640788497.db2.gz HSIPYMHKYPCAEF-UHFFFAOYSA-N 1 1 318.333 2.389 20 5 DEBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000767546869 640991576 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RXAORYCBLRFOBE-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000771397591 641504840 /nfs/dbraw/zinc/50/48/40/641504840.db2.gz RXAORYCBLRFOBE-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000776279951 642153236 /nfs/dbraw/zinc/15/32/36/642153236.db2.gz VHBXAOZOFVIRHR-JKSUJKDBSA-N 1 1 316.361 2.162 20 5 DEBDMO COC(=O)CC[N@@H+](CC(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579933 642187711 /nfs/dbraw/zinc/18/77/11/642187711.db2.gz PRRWWSRWIPFPTF-OAHLLOKOSA-N 1 1 324.377 2.149 20 5 DEBDMO COC(=O)C1([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000776590883 642189166 /nfs/dbraw/zinc/18/91/66/642189166.db2.gz JXMJPYPNGQSHRV-CQSZACIVSA-N 1 1 322.361 2.046 20 5 DEBDMO COC(=O)C1([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000776590883 642189169 /nfs/dbraw/zinc/18/91/69/642189169.db2.gz JXMJPYPNGQSHRV-CQSZACIVSA-N 1 1 322.361 2.046 20 5 DEBDMO CC1(O)CC[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777962387 642326012 /nfs/dbraw/zinc/32/60/12/642326012.db2.gz BQPFAPBDCFWDIO-UHFFFAOYSA-N 1 1 316.361 2.263 20 5 DEBDMO O=C(Cc1c[nH]cn1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000900840468 642488351 /nfs/dbraw/zinc/48/83/51/642488351.db2.gz YNNGRAZUPIAAJG-CQSZACIVSA-N 1 1 318.358 2.135 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c1C ZINC000900912339 642514614 /nfs/dbraw/zinc/51/46/14/642514614.db2.gz KHTSZXYAIRWKBS-NSHDSACASA-N 1 1 305.378 2.283 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@H](OC(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000842610957 650780514 /nfs/dbraw/zinc/78/05/14/650780514.db2.gz VHQKYRTUVAPFQH-CYBMUJFWSA-N 1 1 319.365 2.105 20 5 DEBDMO Cc1nn(C[N@@H+]2CC[C@@H](OC(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000842610957 650780517 /nfs/dbraw/zinc/78/05/17/650780517.db2.gz VHQKYRTUVAPFQH-CYBMUJFWSA-N 1 1 319.365 2.105 20 5 DEBDMO O=C1O[C@@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC12CCC2 ZINC000792265246 644099183 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PYYOGDSLDOBODH-ONGXEEELSA-N 1 1 309.341 2.255 20 5 DEBDMO C[C@H]1C[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000840017376 645705952 /nfs/dbraw/zinc/70/59/52/645705952.db2.gz YSIAPDBRTXPYGJ-BFQNTYOBSA-N 1 1 319.361 2.077 20 5 DEBDMO O=C1CCCN1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840126045 646012433 /nfs/dbraw/zinc/01/24/33/646012433.db2.gz NVMRLKKYVFKZFG-AWEZNQCLSA-N 1 1 303.362 2.354 20 5 DEBDMO O=C1CCCN1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840126045 646012437 /nfs/dbraw/zinc/01/24/37/646012437.db2.gz NVMRLKKYVFKZFG-AWEZNQCLSA-N 1 1 303.362 2.354 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840153378 646167446 /nfs/dbraw/zinc/16/74/46/646167446.db2.gz QALHCENBNZXIKB-HNNXBMFYSA-N 1 1 317.393 2.317 20 5 DEBDMO COc1cc(C(=O)O[C@H](C)Cn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000810611853 646386335 /nfs/dbraw/zinc/38/63/35/646386335.db2.gz JCFBJKBRGIMHEH-SNVBAGLBSA-N 1 1 319.317 2.354 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000044725669 646427535 /nfs/dbraw/zinc/42/75/35/646427535.db2.gz PNHHWBPGWZORMJ-JTQLQIEISA-N 1 1 309.753 2.215 20 5 DEBDMO CC[N@H+](C[C@@H](C)OC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000812305333 646629458 /nfs/dbraw/zinc/62/94/58/646629458.db2.gz YQNHKXUYFKAONP-GFCCVEGCSA-N 1 1 319.365 2.168 20 5 DEBDMO CC[N@@H+](C[C@@H](C)OC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000812305333 646629461 /nfs/dbraw/zinc/62/94/61/646629461.db2.gz YQNHKXUYFKAONP-GFCCVEGCSA-N 1 1 319.365 2.168 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000812387470 646647947 /nfs/dbraw/zinc/64/79/47/646647947.db2.gz NOZVJJUQBODNNG-GFCCVEGCSA-N 1 1 322.409 2.336 20 5 DEBDMO Cc1nn(CN2CCC[N@H+](C3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000172512270 646740236 /nfs/dbraw/zinc/74/02/36/646740236.db2.gz ZQOAVAJYIDMPDJ-UHFFFAOYSA-N 1 1 321.425 2.316 20 5 DEBDMO O=C(NC12CC[NH+](CC1)C2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000913626124 646978192 /nfs/dbraw/zinc/97/81/92/646978192.db2.gz BXFFONJFIHJMDT-UHFFFAOYSA-N 1 1 317.370 2.388 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](O)CC23CCC3)cc1 ZINC000817292592 647260959 /nfs/dbraw/zinc/26/09/59/647260959.db2.gz VBIOXMATDSXGOJ-HUUCEWRRSA-N 1 1 306.362 2.008 20 5 DEBDMO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817906932 647379452 /nfs/dbraw/zinc/37/94/52/647379452.db2.gz HQDUWKPZDRADEP-ZYHUDNBSSA-N 1 1 313.785 2.105 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000730955281 647436507 /nfs/dbraw/zinc/43/65/07/647436507.db2.gz XGGIZNMJSGNPKJ-LLVKDONJSA-N 1 1 308.407 2.223 20 5 DEBDMO C[C@@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000818957717 647550026 /nfs/dbraw/zinc/55/00/26/647550026.db2.gz ZVFIQENOJFRRFY-JKIFEVAISA-N 1 1 321.421 2.338 20 5 DEBDMO C[C@@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000818957717 647550030 /nfs/dbraw/zinc/55/00/30/647550030.db2.gz ZVFIQENOJFRRFY-JKIFEVAISA-N 1 1 321.421 2.338 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000818978129 647556027 /nfs/dbraw/zinc/55/60/27/647556027.db2.gz RYSHBLFXDIHCMN-VIFPVBQESA-N 1 1 313.304 2.039 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000818978129 647556030 /nfs/dbraw/zinc/55/60/30/647556030.db2.gz RYSHBLFXDIHCMN-VIFPVBQESA-N 1 1 313.304 2.039 20 5 DEBDMO C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000820688610 647896399 /nfs/dbraw/zinc/89/63/99/647896399.db2.gz UXQCRRSEZNVYKI-TXEJJXNPSA-N 1 1 323.368 2.218 20 5 DEBDMO C[N@@H+](CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)CC(C)(C)C ZINC000821339604 648038496 /nfs/dbraw/zinc/03/84/96/648038496.db2.gz CCRRAEJHPTVYCD-UHFFFAOYSA-N 1 1 319.405 2.457 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000821526328 648077716 /nfs/dbraw/zinc/07/77/16/648077716.db2.gz AYSYWVXNZZYCBC-STQMWFEESA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000821526328 648077721 /nfs/dbraw/zinc/07/77/21/648077721.db2.gz AYSYWVXNZZYCBC-STQMWFEESA-N 1 1 305.378 2.376 20 5 DEBDMO O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2CCCC[NH2+]2)n1 ZINC000822789962 648288912 /nfs/dbraw/zinc/28/89/12/648288912.db2.gz ADQTWGDCTNJYBS-GFCCVEGCSA-N 1 1 317.349 2.447 20 5 DEBDMO COc1cc(Cc2noc([C@@H]3CCCC[NH2+]3)n2)ccc1[N+](=O)[O-] ZINC000822862987 648306083 /nfs/dbraw/zinc/30/60/83/648306083.db2.gz NLKNDINKXYSENO-NSHDSACASA-N 1 1 318.333 2.392 20 5 DEBDMO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000824815620 648656276 /nfs/dbraw/zinc/65/62/76/648656276.db2.gz UVFMUUCXXHQZSS-YGRLFVJLSA-N 1 1 309.322 2.360 20 5 DEBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000824815620 648656278 /nfs/dbraw/zinc/65/62/78/648656278.db2.gz UVFMUUCXXHQZSS-YGRLFVJLSA-N 1 1 309.322 2.360 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000825655712 648794459 /nfs/dbraw/zinc/79/44/59/648794459.db2.gz UBGFMQSGDHROMH-CQSZACIVSA-N 1 1 305.378 2.394 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831970784 649664918 /nfs/dbraw/zinc/66/49/18/649664918.db2.gz FNWIJRMDDCVJIW-GOEBONIOSA-N 1 1 307.394 2.044 20 5 DEBDMO C[C@@H]1CC[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848476347 651461500 /nfs/dbraw/zinc/46/15/00/651461500.db2.gz ADQINRMSVUKBDI-DOMZBBRYSA-N 1 1 303.362 2.210 20 5 DEBDMO C[C@H]1CCC[N@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848480990 651461726 /nfs/dbraw/zinc/46/17/26/651461726.db2.gz UCTFFURDUNBQMF-WFASDCNBSA-N 1 1 303.362 2.353 20 5 DEBDMO CC(C)(CCC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[N+](=O)[O-] ZINC000856479304 651938936 /nfs/dbraw/zinc/93/89/36/651938936.db2.gz JNPBDGHPQZYPGW-AWEZNQCLSA-N 1 1 311.426 2.060 20 5 DEBDMO CC1(C)CC[C@@H](CO)[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000856803985 651988848 /nfs/dbraw/zinc/98/88/48/651988848.db2.gz OKZFAJZBTQIDBT-GJZGRUSLSA-N 1 1 308.378 2.111 20 5 DEBDMO CC[N@H+](CCSC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853519632 652561141 /nfs/dbraw/zinc/56/11/41/652561141.db2.gz TZVURCBXELSLPC-UHFFFAOYSA-N 1 1 321.406 2.496 20 5 DEBDMO CC[N@@H+](CCSC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853519632 652561144 /nfs/dbraw/zinc/56/11/44/652561144.db2.gz TZVURCBXELSLPC-UHFFFAOYSA-N 1 1 321.406 2.496 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928435570 693778753 /nfs/dbraw/zinc/77/87/53/693778753.db2.gz HLQPQZVLXWBEPU-OLZOCXBDSA-N 1 1 305.378 2.342 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCCCCO)C2)nc1 ZINC000079323852 683971948 /nfs/dbraw/zinc/97/19/48/683971948.db2.gz POGPBJHNWYYPTM-CYBMUJFWSA-N 1 1 308.382 2.029 20 5 DEBDMO C[N@@H+](CCCn1ccnc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000130624253 684191112 /nfs/dbraw/zinc/19/11/12/684191112.db2.gz ZEEIVTSWGAVTPC-UHFFFAOYSA-N 1 1 314.349 2.121 20 5 DEBDMO CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCC[N@@H+](C)C1 ZINC000160425058 684327676 /nfs/dbraw/zinc/32/76/76/684327676.db2.gz MJGBQDBNPHWORL-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860533960 685937562 /nfs/dbraw/zinc/93/75/62/685937562.db2.gz ZBKRQPTWCRPMNJ-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860533960 685937564 /nfs/dbraw/zinc/93/75/64/685937564.db2.gz ZBKRQPTWCRPMNJ-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861841377 686191858 /nfs/dbraw/zinc/19/18/58/686191858.db2.gz RUOAOKUYZOWCMK-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861841377 686191860 /nfs/dbraw/zinc/19/18/60/686191860.db2.gz RUOAOKUYZOWCMK-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C2CC2)c1 ZINC000929854854 694044141 /nfs/dbraw/zinc/04/41/41/694044141.db2.gz WKQVTZFMRILZGR-XOKHGSTOSA-N 1 1 318.373 2.363 20 5 DEBDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC[N+](=O)[O-] ZINC000930065479 694081780 /nfs/dbraw/zinc/08/17/80/694081780.db2.gz KCOHXBDTBVUVCF-YOEHRIQHSA-N 1 1 320.437 2.199 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C2CC2)cc1 ZINC000930140499 694098627 /nfs/dbraw/zinc/09/86/27/694098627.db2.gz BARGBOZZRYZLTD-XOKHGSTOSA-N 1 1 318.373 2.363 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865701215 687306003 /nfs/dbraw/zinc/30/60/03/687306003.db2.gz BZJSDYDEPQEZBP-ZDUSSCGKSA-N 1 1 323.368 2.267 20 5 DEBDMO CCC(=O)c1ccc(N2CC([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000865936999 687385488 /nfs/dbraw/zinc/38/54/88/687385488.db2.gz KPLHMBJOFCIORX-UHFFFAOYSA-N 1 1 303.362 2.472 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000866206515 687491585 /nfs/dbraw/zinc/49/15/85/687491585.db2.gz SASLXICFJSWVON-ABAIWWIYSA-N 1 1 313.361 2.068 20 5 DEBDMO C[C@]([NH3+])(C(=O)N1CCC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000867952703 687848020 /nfs/dbraw/zinc/84/80/20/687848020.db2.gz ZQPRTXXNDVCAMQ-OAHLLOKOSA-N 1 1 303.362 2.171 20 5 DEBDMO COc1ccc(NC(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000930773518 694238998 /nfs/dbraw/zinc/23/89/98/694238998.db2.gz PEQQSEBRXWGTCA-LLVKDONJSA-N 1 1 322.365 2.067 20 5 DEBDMO C[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035676 688916763 /nfs/dbraw/zinc/91/67/63/688916763.db2.gz XZLOCLVFPSPASG-XQQFMLRXSA-N 1 1 323.368 2.248 20 5 DEBDMO CN1CCCC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1=O ZINC000872267335 688969266 /nfs/dbraw/zinc/96/92/66/688969266.db2.gz NYAOGQCNSDSGKQ-CQSZACIVSA-N 1 1 309.341 2.177 20 5 DEBDMO CN1CCCC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1=O ZINC000872267335 688969268 /nfs/dbraw/zinc/96/92/68/688969268.db2.gz NYAOGQCNSDSGKQ-CQSZACIVSA-N 1 1 309.341 2.177 20 5 DEBDMO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](CC[N+](=O)[O-])[C@@H]1C ZINC000930901537 694266938 /nfs/dbraw/zinc/26/69/38/694266938.db2.gz GZMYHWNXVUCPMT-UPJWGTAASA-N 1 1 315.414 2.277 20 5 DEBDMO Cc1c(C[N@H+]2[C@H](C)CC[C@H](C(N)=O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000930917965 694272766 /nfs/dbraw/zinc/27/27/66/694272766.db2.gz XREAEHQBLKLEIV-OSMZGAPFSA-N 1 1 305.378 2.378 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000874845478 689516346 /nfs/dbraw/zinc/51/63/46/689516346.db2.gz VOPCZLGVCTXVJT-KBPBESRZSA-N 1 1 307.325 2.043 20 5 DEBDMO CO[C@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CCOCC1 ZINC000876741855 689924044 /nfs/dbraw/zinc/92/40/44/689924044.db2.gz WHEAVUMQXPGUCK-QGZVFWFLSA-N 1 1 320.389 2.395 20 5 DEBDMO COc1cnc(F)c(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000876984742 689990415 /nfs/dbraw/zinc/99/04/15/689990415.db2.gz NBZUVEHGVAWQNN-UHFFFAOYSA-N 1 1 321.308 2.436 20 5 DEBDMO CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035186422 690053560 /nfs/dbraw/zinc/05/35/60/690053560.db2.gz DMPOSHGAZAAXEM-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035186422 690053562 /nfs/dbraw/zinc/05/35/62/690053562.db2.gz DMPOSHGAZAAXEM-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035186422 690053564 /nfs/dbraw/zinc/05/35/64/690053564.db2.gz DMPOSHGAZAAXEM-HUUCEWRRSA-N 1 1 323.437 2.012 20 5 DEBDMO COC[C@]1(CO)CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877572712 690156257 /nfs/dbraw/zinc/15/62/57/690156257.db2.gz HSROCKXBVZTYDI-MRXNPFEDSA-N 1 1 308.378 2.042 20 5 DEBDMO COc1ccc(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877741701 690210467 /nfs/dbraw/zinc/21/04/67/690210467.db2.gz BBLCXMOZUUMVPH-UONOGXRCSA-N 1 1 305.378 2.129 20 5 DEBDMO Cn1cc(C[N@H+]2CC[C@@]3(CCc4ccccc43)C2)c([N+](=O)[O-])n1 ZINC000877811647 690238421 /nfs/dbraw/zinc/23/84/21/690238421.db2.gz 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OPYKGYVZRYFVPI-CYBMUJFWSA-N 1 1 306.362 2.365 20 5 DEBDMO COC(=O)[C@]1(C)CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173237157 793655782 /nfs/dbraw/zinc/65/57/82/793655782.db2.gz IMQDGRNNALBHMA-MLGOLLRUSA-N 1 1 306.362 2.411 20 5 DEBDMO CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530690 794811282 /nfs/dbraw/zinc/81/12/82/794811282.db2.gz LRSFGDBHPAIJDS-ZIAGYGMSSA-N 1 1 311.426 2.106 20 5 DEBDMO O=C(NCCCCCC[NH2+]Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001178458647 794929706 /nfs/dbraw/zinc/92/97/06/794929706.db2.gz PWCSRJQFADUFFW-HZPDHXFCSA-N 1 1 319.405 2.118 20 5 DEBDMO COc1ccc(CC(=O)Nc2cc(C)[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC001116400054 794954932 /nfs/dbraw/zinc/95/49/32/794954932.db2.gz WHJLMAPFTLGJIT-UHFFFAOYSA-N 1 1 315.329 2.218 20 5 DEBDMO O=[N+]([O-])c1c2nonc2ccc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001120803963 795534353 /nfs/dbraw/zinc/53/43/53/795534353.db2.gz BYIKVEFRADPPTF-BXKDBHETSA-N 1 1 303.322 2.170 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001181838904 795548262 /nfs/dbraw/zinc/54/82/62/795548262.db2.gz HVDJEMDPKZPLLG-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO Cn1c[nH+]cc1C1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC001121015839 795577491 /nfs/dbraw/zinc/57/74/91/795577491.db2.gz WZHNXVJBYPQLTF-UHFFFAOYSA-N 1 1 301.350 2.295 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@H]2C1 ZINC001121293277 795612807 /nfs/dbraw/zinc/61/28/07/795612807.db2.gz YMXKBKDZYZRRLZ-GMXVVIOVSA-N 1 1 323.780 2.318 20 5 DEBDMO Cc1cc(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC001123361560 795900922 /nfs/dbraw/zinc/90/09/22/795900922.db2.gz YBVXSUUYVAGUNL-TUKIKUTGSA-N 1 1 318.377 2.365 20 5 DEBDMO Cc1ccc(-c2ccc(N[C@H]3CC[N@H+](C)C3)nn2)cc1[N+](=O)[O-] ZINC001156580690 798035136 /nfs/dbraw/zinc/03/51/36/798035136.db2.gz HXAQUBZDMHBYPW-ZDUSSCGKSA-N 1 1 313.361 2.476 20 5 DEBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001157022279 798128940 /nfs/dbraw/zinc/12/89/40/798128940.db2.gz VWKLLMIXPJBQLG-LBPRGKRZSA-N 1 1 315.377 2.457 20 5 DEBDMO Cc1cc(Cl)nc(NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC001157043376 798132212 /nfs/dbraw/zinc/13/22/12/798132212.db2.gz MWGASIGKWUTLME-UHFFFAOYSA-N 1 1 316.814 2.412 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)nc1Cl ZINC001157265612 798173070 /nfs/dbraw/zinc/17/30/70/798173070.db2.gz KBMKJPKXNXTXIQ-CMPLNLGQSA-N 1 1 310.785 2.482 20 5 DEBDMO CC[C@@]([NH3+])(CO)Nc1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001159744471 798603155 /nfs/dbraw/zinc/60/31/55/798603155.db2.gz WXGUOBCBWSFIMQ-ZDUSSCGKSA-N 1 1 310.741 2.266 20 5 DEBDMO COc1ncnc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC001161186571 798808026 /nfs/dbraw/zinc/80/80/26/798808026.db2.gz PIVMQNBGEHASKK-LBPRGKRZSA-N 1 1 321.381 2.070 20 5 DEBDMO O=C1N[C@@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)CO1 ZINC000932779378 799931372 /nfs/dbraw/zinc/93/13/72/799931372.db2.gz LEYLCWNUSMLIRR-CQSZACIVSA-N 1 1 323.324 2.054 20 5 DEBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCC[N@@H+]2CC[N+](=O)[O-] ZINC000933497100 800112340 /nfs/dbraw/zinc/11/23/40/800112340.db2.gz NFMLUIWZOZGDDU-IUODEOHRSA-N 1 1 313.398 2.032 20 5 DEBDMO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCC[N@H+]2CC[N+](=O)[O-] ZINC000933497100 800112341 /nfs/dbraw/zinc/11/23/41/800112341.db2.gz NFMLUIWZOZGDDU-IUODEOHRSA-N 1 1 313.398 2.032 20 5 DEBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934114100 800264057 /nfs/dbraw/zinc/26/40/57/800264057.db2.gz QMPPFEKFEOHUFY-KBPBESRZSA-N 1 1 307.350 2.033 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000934120013 800266919 /nfs/dbraw/zinc/26/69/19/800266919.db2.gz VMVNLZAERXDRCK-KCPJHIHWSA-N 1 1 321.377 2.339 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000934120013 800266923 /nfs/dbraw/zinc/26/69/23/800266923.db2.gz VMVNLZAERXDRCK-KCPJHIHWSA-N 1 1 321.377 2.339 20 5 DEBDMO COc1ccc(C[N@H+]2CCCCCNC(=O)CC2)cc1[N+](=O)[O-] ZINC000934162017 800277115 /nfs/dbraw/zinc/27/71/15/800277115.db2.gz FSCLBHOILSTYOH-UHFFFAOYSA-N 1 1 321.377 2.096 20 5 DEBDMO Cc1noc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c1[N+](=O)[O-] ZINC000934331361 800327055 /nfs/dbraw/zinc/32/70/55/800327055.db2.gz LDCYLHXRANPZAR-SNVBAGLBSA-N 1 1 308.363 2.412 20 5 DEBDMO Cc1noc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c1[N+](=O)[O-] ZINC000934331361 800327063 /nfs/dbraw/zinc/32/70/63/800327063.db2.gz LDCYLHXRANPZAR-SNVBAGLBSA-N 1 1 308.363 2.412 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000935070665 800548732 /nfs/dbraw/zinc/54/87/32/800548732.db2.gz KEYUVJIEHDIDQW-APHBMKBZSA-N 1 1 317.389 2.251 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229057028 801216295 /nfs/dbraw/zinc/21/62/95/801216295.db2.gz ZVUSFILVKKUMRT-PJXYFTJBSA-N 1 1 320.345 2.385 20 5 DEBDMO C[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229080523 801219284 /nfs/dbraw/zinc/21/92/84/801219284.db2.gz GGTGKUIFYHSQLL-VIFPVBQESA-N 1 1 301.140 2.440 20 5 DEBDMO Cc1nc(OC2CC(C)(C)[NH+](C)C(C)(C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377539 801266416 /nfs/dbraw/zinc/26/64/16/801266416.db2.gz CGZVLULYNSBASA-UHFFFAOYSA-N 1 1 324.381 2.429 20 5 DEBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc[n+]([O-])cc1[N+](=O)[O-])C2 ZINC001229451629 801279722 /nfs/dbraw/zinc/27/97/22/801279722.db2.gz ITHJBGZTLCDCTE-ITGUQSILSA-N 1 1 307.350 2.011 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)cc1F ZINC001229895573 801334453 /nfs/dbraw/zinc/33/44/53/801334453.db2.gz RKAIUSXXXSCFPW-BHYNMZESSA-N 1 1 308.309 2.225 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)cc1F ZINC001229895573 801334459 /nfs/dbraw/zinc/33/44/59/801334459.db2.gz RKAIUSXXXSCFPW-BHYNMZESSA-N 1 1 308.309 2.225 20 5 DEBDMO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C)C1 ZINC001229903382 801335768 /nfs/dbraw/zinc/33/57/68/801335768.db2.gz NKSLKUDBHUYJTQ-LLVKDONJSA-N 1 1 308.334 2.163 20 5 DEBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(Cl)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001230919042 801529576 /nfs/dbraw/zinc/52/95/76/801529576.db2.gz SXJNUTPQUIIPSB-RLCGTCKNSA-N 1 1 310.737 2.431 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(Cl)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001230919042 801529579 /nfs/dbraw/zinc/52/95/79/801529579.db2.gz SXJNUTPQUIIPSB-RLCGTCKNSA-N 1 1 310.737 2.431 20 5 DEBDMO C[N@@H+](CCCNC(=O)CC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231139830 801589819 /nfs/dbraw/zinc/58/98/19/801589819.db2.gz YHARAIKYULAHFD-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO O=[N+]([O-])c1ccc(O[C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC001233707011 802187395 /nfs/dbraw/zinc/18/73/95/802187395.db2.gz FPGCEIRUUCGHNY-JTQLQIEISA-N 1 1 304.262 2.093 20 5 DEBDMO C[NH2+]CCNC(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001220054428 802406559 /nfs/dbraw/zinc/40/65/59/802406559.db2.gz BOHZFNFOLHQOKW-IBGZPJMESA-N 1 1 321.424 2.198 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(CO[C@H]3CCc4[nH+]ccn4C3)nc2c1 ZINC001222932397 802749916 /nfs/dbraw/zinc/74/99/16/802749916.db2.gz TUZDGVZBINXQAT-NSHDSACASA-N 1 1 314.301 2.464 20 5 DEBDMO C[N@H+]1CCC[C@@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001227097254 803201216 /nfs/dbraw/zinc/20/12/16/803201216.db2.gz YSDXPLGRUZRAMD-LLVKDONJSA-N 1 1 318.333 2.107 20 5 DEBDMO O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C12CCC[NH+]1CCC2 ZINC001328705490 1148825595 /nfs/dbraw/zinc/82/55/95/1148825595.db2.gz UKOUQONHSNHMQE-UHFFFAOYSA-N 1 1 321.289 2.037 20 5 DEBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001458329919 1058056812 /nfs/dbraw/zinc/05/68/12/1058056812.db2.gz GQHROSMHACVKKI-LLVKDONJSA-N 1 1 321.406 2.273 20 5 DEBDMO C[C@H](CN1CCOCC1)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001460103226 1058262868 /nfs/dbraw/zinc/26/28/68/1058262868.db2.gz YWQQQDNELKZMGH-HNNXBMFYSA-N 1 1 321.421 2.037 20 5 DEBDMO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1ccc([N+](=O)[O-])cc1 ZINC001460764072 1058499242 /nfs/dbraw/zinc/49/92/42/1058499242.db2.gz NPQOQENBILQCLX-SNVBAGLBSA-N 1 1 324.358 2.442 20 5 DEBDMO Cc1noc(C[NH2+][C@](C)(CO)Cc2ccccc2F)c1[N+](=O)[O-] ZINC001460854972 1058528259 /nfs/dbraw/zinc/52/82/59/1058528259.db2.gz AXPMJQWSQUCGCF-HNNXBMFYSA-N 1 1 323.324 2.114 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC001465160009 1059261233 /nfs/dbraw/zinc/26/12/33/1059261233.db2.gz IRHATDGHTVIUMI-NSHDSACASA-N 1 1 322.365 2.161 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001472029444 1060373823 /nfs/dbraw/zinc/37/38/23/1060373823.db2.gz QPTVDUAGJLHCPB-GFCCVEGCSA-N 1 1 309.341 2.112 20 5 DEBDMO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001473322346 1060669504 /nfs/dbraw/zinc/66/95/04/1060669504.db2.gz YAAULHHWISMQJN-VIFPVBQESA-N 1 1 305.294 2.087 20 5 DEBDMO C[C@@H]([NH2+][C@H](C)c1ccnn1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001473735135 1060720453 /nfs/dbraw/zinc/72/04/53/1060720453.db2.gz RTCJYUAJWOCUAS-GHMZBOCLSA-N 1 1 317.349 2.006 20 5 DEBDMO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](O)C(F)F ZINC001474552697 1060892038 /nfs/dbraw/zinc/89/20/38/1060892038.db2.gz QICFUZNFSGZAAL-QPUJVOFHSA-N 1 1 315.276 2.230 20 5 DEBDMO CC(C)(F)C(=O)NC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001497509588 1066120010 /nfs/dbraw/zinc/12/00/10/1066120010.db2.gz GYGXMKNSTZDSCF-ARJAWSKDSA-N 1 1 315.370 2.166 20 5 DEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](C3CCCC3)C2)c1 ZINC001648621212 1075003404 /nfs/dbraw/zinc/00/34/04/1075003404.db2.gz KTOLCEAUBSFGHN-HOCLYGCPSA-N 1 1 322.409 2.054 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C(C)(C)C1 ZINC001558524672 1075097495 /nfs/dbraw/zinc/09/74/95/1075097495.db2.gz DEWYCHILNMKURP-CQSZACIVSA-N 1 1 321.377 2.064 20 5 DEBDMO CC/C(C)=C\C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001267680438 1079369052 /nfs/dbraw/zinc/36/90/52/1079369052.db2.gz LYWHRJJEFXPBPD-JYRVWZFOSA-N 1 1 317.389 2.499 20 5 DEBDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590489695 1076639394 /nfs/dbraw/zinc/63/93/94/1076639394.db2.gz KDPVIHNOJXKCGW-HNNXBMFYSA-N 1 1 316.365 2.397 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001620945180 1077050037 /nfs/dbraw/zinc/05/00/37/1077050037.db2.gz WSCDKBQSAYOIRA-NWDGAFQWSA-N 1 1 321.377 2.206 20 5 DEBDMO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])CC1CC1 ZINC001609214484 1077803281 /nfs/dbraw/zinc/80/32/81/1077803281.db2.gz KJUKISTXFWXHOT-UHFFFAOYSA-N 1 1 316.365 2.397 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001654954489 1079982985 /nfs/dbraw/zinc/98/29/85/1079982985.db2.gz QRGREPNRTYWIRI-NTZNESFSSA-N 1 1 305.334 2.086 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001654954489 1079982987 /nfs/dbraw/zinc/98/29/87/1079982987.db2.gz QRGREPNRTYWIRI-NTZNESFSSA-N 1 1 305.334 2.086 20 5 DEBDMO CCc1ccc2c(c1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC001656586957 1080104113 /nfs/dbraw/zinc/10/41/13/1080104113.db2.gz QPCVJHYKKVHJKN-UHFFFAOYSA-N 1 1 300.362 2.412 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)c(CN2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c1 ZINC001660494900 1080344587 /nfs/dbraw/zinc/34/45/87/1080344587.db2.gz KOPDDVNYPWGZAS-AAEUAGOBSA-N 1 1 313.760 2.476 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)c(CN2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c1 ZINC001660494900 1080344590 /nfs/dbraw/zinc/34/45/90/1080344590.db2.gz KOPDDVNYPWGZAS-AAEUAGOBSA-N 1 1 313.760 2.476 20 5 DEBDMO CC[N@@H+](C)CCC(=O)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107321743 1080726741 /nfs/dbraw/zinc/72/67/41/1080726741.db2.gz KHASJIAWXFEOBH-VOTSOKGWSA-N 1 1 320.393 2.021 20 5 DEBDMO CCCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001664873785 1080974572 /nfs/dbraw/zinc/97/45/72/1080974572.db2.gz KVZUTZPWXUZOPK-HUUCEWRRSA-N 1 1 311.426 2.012 20 5 DEBDMO CCCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001664873785 1080974579 /nfs/dbraw/zinc/97/45/79/1080974579.db2.gz KVZUTZPWXUZOPK-HUUCEWRRSA-N 1 1 311.426 2.012 20 5 DEBDMO CCCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001664873785 1080974584 /nfs/dbraw/zinc/97/45/84/1080974584.db2.gz KVZUTZPWXUZOPK-HUUCEWRRSA-N 1 1 311.426 2.012 20 5 DEBDMO CC[N@@H+](CCNC(=O)C(C)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001266371627 1082004687 /nfs/dbraw/zinc/00/46/87/1082004687.db2.gz DSCYXGUVAYFOFJ-UHFFFAOYSA-N 1 1 315.320 2.188 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001648855240 1082107702 /nfs/dbraw/zinc/10/77/02/1082107702.db2.gz VIAXPPAGPVNLGS-LBPRGKRZSA-N 1 1 303.362 2.212 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001648855240 1082107703 /nfs/dbraw/zinc/10/77/03/1082107703.db2.gz VIAXPPAGPVNLGS-LBPRGKRZSA-N 1 1 303.362 2.212 20 5 DEBDMO CC(C)N(CC[N@@H+](C)CCC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001486368645 1085237415 /nfs/dbraw/zinc/23/74/15/1085237415.db2.gz WZEUTQZJWUWRGA-ZIAGYGMSSA-N 1 1 313.442 2.257 20 5 DEBDMO CC(C)N(CC[N@H+](C)CCC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001486368645 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319.340 2.238 20 5 DEBDMO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279792036 215150286 /nfs/dbraw/zinc/15/02/86/215150286.db2.gz OKPGTEYTFRKZIP-OLZOCXBDSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279792036 215150288 /nfs/dbraw/zinc/15/02/88/215150288.db2.gz OKPGTEYTFRKZIP-OLZOCXBDSA-N 1 1 321.377 2.159 20 5 DEBDMO Cc1noc(CN(C)CCC[N@@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000595481802 358460270 /nfs/dbraw/zinc/46/02/70/358460270.db2.gz BIDZWHOBUUAXGU-UHFFFAOYSA-N 1 1 322.365 2.438 20 5 DEBDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000171950977 198012848 /nfs/dbraw/zinc/01/28/48/198012848.db2.gz VBZFNLAGGQQXTC-JTQLQIEISA-N 1 1 323.349 2.240 20 5 DEBDMO O=C([C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)N1CCCC1 ZINC000287241413 219399945 /nfs/dbraw/zinc/39/99/45/219399945.db2.gz GLCYAMFKLGOSHG-CYBMUJFWSA-N 1 1 321.352 2.178 20 5 DEBDMO CCN1CC[C@@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O 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PKLAVZJWFUACBH-CYBMUJFWSA-N 1 1 305.378 2.445 20 5 DEBDMO C[N@@H+](CCC(F)(F)F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066437919 354715377 /nfs/dbraw/zinc/71/53/77/354715377.db2.gz PEKRPCMLCRPWMH-LLVKDONJSA-N 1 1 322.283 2.219 20 5 DEBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000068935635 354840738 /nfs/dbraw/zinc/84/07/38/354840738.db2.gz VTYBZAFQKADGTM-CYBMUJFWSA-N 1 1 305.378 2.363 20 5 DEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072831231 354923618 /nfs/dbraw/zinc/92/36/18/354923618.db2.gz AIOIYTUCPWASJZ-BLLLJJGKSA-N 1 1 303.362 2.258 20 5 DEBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000072945114 354931102 /nfs/dbraw/zinc/93/11/02/354931102.db2.gz ZRNMXBIFVWAANM-KBPBESRZSA-N 1 1 321.425 2.419 20 5 DEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000074322159 355022448 /nfs/dbraw/zinc/02/24/48/355022448.db2.gz CHAMNOGTADWGBP-LBPRGKRZSA-N 1 1 323.418 2.460 20 5 DEBDMO C[N@@H+]1CCC[C@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043055 355616545 /nfs/dbraw/zinc/61/65/45/355616545.db2.gz XBBOWMBNEFTXDR-WFASDCNBSA-N 1 1 305.378 2.217 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043055 355616548 /nfs/dbraw/zinc/61/65/48/355616548.db2.gz XBBOWMBNEFTXDR-WFASDCNBSA-N 1 1 305.378 2.217 20 5 DEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CCC(F)(F)F ZINC000090524583 355562869 /nfs/dbraw/zinc/56/28/69/355562869.db2.gz HOLOXSQVTUZJTR-UHFFFAOYSA-N 1 1 307.272 2.031 20 5 DEBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000108303196 355733102 /nfs/dbraw/zinc/73/31/02/355733102.db2.gz YBKSQWPUJAWWBK-CYBMUJFWSA-N 1 1 303.362 2.117 20 5 DEBDMO COCCO[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000179368775 356022788 /nfs/dbraw/zinc/02/27/88/356022788.db2.gz TXFMETFOCAXGFD-AWEZNQCLSA-N 1 1 324.377 2.101 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000081362901 192256651 /nfs/dbraw/zinc/25/66/51/192256651.db2.gz YOIAUIOHZMHPTH-ZDUSSCGKSA-N 1 1 305.378 2.399 20 5 DEBDMO CN1C[C@@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1=O ZINC000581951792 357274284 /nfs/dbraw/zinc/27/42/84/357274284.db2.gz NJJGKOJLOCBFKG-LBPRGKRZSA-N 1 1 311.769 2.301 20 5 DEBDMO CN1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1=O ZINC000581951792 357274285 /nfs/dbraw/zinc/27/42/85/357274285.db2.gz NJJGKOJLOCBFKG-LBPRGKRZSA-N 1 1 311.769 2.301 20 5 DEBDMO C[C@@H]1[C@H](C)N(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000588011376 357388271 /nfs/dbraw/zinc/38/82/71/357388271.db2.gz CTSSVNXNAMKWIU-BDAKNGLRSA-N 1 1 307.379 2.128 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1[C@@H]2CC[C@H]1C[N@@H+](CC)CC2 ZINC000588822791 357427151 /nfs/dbraw/zinc/42/71/51/357427151.db2.gz BRVZSILYVVJVGI-OLZOCXBDSA-N 1 1 307.398 2.183 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000276779677 213104773 /nfs/dbraw/zinc/10/47/73/213104773.db2.gz JGOUWUUNPYKDPV-CQSZACIVSA-N 1 1 303.362 2.100 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000591061709 357668240 /nfs/dbraw/zinc/66/82/40/357668240.db2.gz FOIXOAVFBVMZGK-GDBMZVCRSA-N 1 1 320.389 2.457 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591062965 357669046 /nfs/dbraw/zinc/66/90/46/357669046.db2.gz CZNOEBJHTFKNKR-HUUCEWRRSA-N 1 1 320.389 2.457 20 5 DEBDMO CCc1nnc(C[NH2+]CC(C)=Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000449344879 283273556 /nfs/dbraw/zinc/27/35/56/283273556.db2.gz FOUYTIWXMRFECY-XFFZJAGNSA-N 1 1 301.350 2.468 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCc2ccccc21 ZINC000179313787 199013935 /nfs/dbraw/zinc/01/39/35/199013935.db2.gz DXTCDCSJBHSIHX-INIZCTEOSA-N 1 1 313.357 2.376 20 5 DEBDMO CCCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592830017 357952708 /nfs/dbraw/zinc/95/27/08/357952708.db2.gz AUALAEGQBHMVNQ-AWEZNQCLSA-N 1 1 305.378 2.080 20 5 DEBDMO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@@H+](C)C1 ZINC000592833424 357954358 /nfs/dbraw/zinc/95/43/58/357954358.db2.gz ZEKDQEFAMVUNFF-AWEZNQCLSA-N 1 1 305.378 2.460 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593720485 358130441 /nfs/dbraw/zinc/13/04/41/358130441.db2.gz RBTLVPGDFJGPRE-NSHDSACASA-N 1 1 311.357 2.121 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594198162 358221612 /nfs/dbraw/zinc/22/16/12/358221612.db2.gz DPWQHYKEWCGLIN-HIFRSBDPSA-N 1 1 303.362 2.342 20 5 DEBDMO NC(=O)c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594602524 358302582 /nfs/dbraw/zinc/30/25/82/358302582.db2.gz QYMHCSAIULHSMX-JSGCOSHPSA-N 1 1 318.377 2.123 20 5 DEBDMO Cc1c(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000594500362 358283878 /nfs/dbraw/zinc/28/38/78/358283878.db2.gz POVAJRGXXGEINL-MRXNPFEDSA-N 1 1 319.405 2.246 20 5 DEBDMO C[N@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccccc1[N+](=O)[O-] ZINC000595287601 358412503 /nfs/dbraw/zinc/41/25/03/358412503.db2.gz KQKAMDQWLCLWKG-UHFFFAOYSA-N 1 1 318.381 2.011 20 5 DEBDMO C[N@@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccccc1[N+](=O)[O-] ZINC000595287601 358412507 /nfs/dbraw/zinc/41/25/07/358412507.db2.gz KQKAMDQWLCLWKG-UHFFFAOYSA-N 1 1 318.381 2.011 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000595785609 358548847 /nfs/dbraw/zinc/54/88/47/358548847.db2.gz FSTMUCJSUQFWCQ-DZGCQCFKSA-N 1 1 308.382 2.072 20 5 DEBDMO Cc1cc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])s1 ZINC000596127956 358617436 /nfs/dbraw/zinc/61/74/36/358617436.db2.gz DJZPOGKUIZJYGG-CYBMUJFWSA-N 1 1 324.450 2.181 20 5 DEBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596174807 358630351 /nfs/dbraw/zinc/63/03/51/358630351.db2.gz ISLFOBRHQWEHJL-ZDUSSCGKSA-N 1 1 300.318 2.294 20 5 DEBDMO NC(=O)c1cc(NC[C@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000596211803 358641515 /nfs/dbraw/zinc/64/15/15/358641515.db2.gz WQNDCZKLRVOIEL-CYBMUJFWSA-N 1 1 318.377 2.123 20 5 DEBDMO Cc1cc(N(C)CCC[N@H+](C)CCN(C)C)c([N+](=O)[O-])s1 ZINC000596235193 358648526 /nfs/dbraw/zinc/64/85/26/358648526.db2.gz TVLDQNQJQGGRIR-UHFFFAOYSA-N 1 1 314.455 2.284 20 5 DEBDMO Cc1cc(N(C)CCCN(C)CC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596235193 358648531 /nfs/dbraw/zinc/64/85/31/358648531.db2.gz TVLDQNQJQGGRIR-UHFFFAOYSA-N 1 1 314.455 2.284 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000597855034 359022051 /nfs/dbraw/zinc/02/20/51/359022051.db2.gz PJJDWSMNYPCBLS-LBPRGKRZSA-N 1 1 305.378 2.445 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000597921842 359041868 /nfs/dbraw/zinc/04/18/68/359041868.db2.gz CNFLTZJGJPGVOE-ZDUSSCGKSA-N 1 1 305.378 2.126 20 5 DEBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597925863 359044312 /nfs/dbraw/zinc/04/43/12/359044312.db2.gz XKMDXNDOSZJSSM-SNVBAGLBSA-N 1 1 323.397 2.044 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597926111 359044710 /nfs/dbraw/zinc/04/47/10/359044710.db2.gz VQBUVVKDRYQAFC-NSHDSACASA-N 1 1 321.377 2.206 20 5 DEBDMO CCC(O)(CC)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599672271 359565502 /nfs/dbraw/zinc/56/55/02/359565502.db2.gz CGQUAAZDTIBXCN-UHFFFAOYSA-N 1 1 323.393 2.406 20 5 DEBDMO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000599704214 359579632 /nfs/dbraw/zinc/57/96/32/359579632.db2.gz RFKJFQIWHMPEFH-HNNXBMFYSA-N 1 1 305.378 2.394 20 5 DEBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000600313178 359719255 /nfs/dbraw/zinc/71/92/55/359719255.db2.gz IJEUEYGEXSWTMX-LLVKDONJSA-N 1 1 309.341 2.196 20 5 DEBDMO CC(C)(C)C(=O)NCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601120947 359929826 /nfs/dbraw/zinc/92/98/26/359929826.db2.gz PFPYEMVDJAKITI-UHFFFAOYSA-N 1 1 316.361 2.139 20 5 DEBDMO Cc1cn(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(C)[nH+]1 ZINC000601080203 359914187 /nfs/dbraw/zinc/91/41/87/359914187.db2.gz NXPNLAJOLLJUPV-UHFFFAOYSA-N 1 1 316.317 2.406 20 5 DEBDMO CCCN(CC(=O)N(C)C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601106280 359922212 /nfs/dbraw/zinc/92/22/12/359922212.db2.gz ORSFTJJLNMPDAF-UHFFFAOYSA-N 1 1 316.361 2.448 20 5 DEBDMO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000601422596 360036535 /nfs/dbraw/zinc/03/65/35/360036535.db2.gz USQLPEICHGWLSG-JTQLQIEISA-N 1 1 307.325 2.114 20 5 DEBDMO CSCCC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281208662 216153727 /nfs/dbraw/zinc/15/37/27/216153727.db2.gz AXSVCAUZJAJFTB-LBPRGKRZSA-N 1 1 314.407 2.019 20 5 DEBDMO CCO[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1OC ZINC000602614057 360457456 /nfs/dbraw/zinc/45/74/56/360457456.db2.gz BPMCNVGZXWBPGL-LNSITVRQSA-N 1 1 321.333 2.018 20 5 DEBDMO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000602734906 360525412 /nfs/dbraw/zinc/52/54/12/360525412.db2.gz HUJWFKYGZXKNKA-OAHLLOKOSA-N 1 1 305.378 2.394 20 5 DEBDMO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000602734906 360525417 /nfs/dbraw/zinc/52/54/17/360525417.db2.gz HUJWFKYGZXKNKA-OAHLLOKOSA-N 1 1 305.378 2.394 20 5 DEBDMO CC[C@@]1(O)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000602742386 360530768 /nfs/dbraw/zinc/53/07/68/360530768.db2.gz YGECGHXBJKOWNJ-MRXNPFEDSA-N 1 1 322.361 2.198 20 5 DEBDMO CC[C@@]1(O)CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000602742386 360530774 /nfs/dbraw/zinc/53/07/74/360530774.db2.gz YGECGHXBJKOWNJ-MRXNPFEDSA-N 1 1 322.361 2.198 20 5 DEBDMO Cc1ccc(NC(=O)N2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000602755233 360538826 /nfs/dbraw/zinc/53/88/26/360538826.db2.gz BRFALIFBKQSLSP-UHFFFAOYSA-N 1 1 306.366 2.461 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000602789196 360555700 /nfs/dbraw/zinc/55/57/00/360555700.db2.gz SPAMEGOBCQNEJP-OLZOCXBDSA-N 1 1 310.423 2.460 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000602794598 360558036 /nfs/dbraw/zinc/55/80/36/360558036.db2.gz JGCPTJNIIDGYLS-UHFFFAOYSA-N 1 1 304.272 2.294 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000602794598 360558041 /nfs/dbraw/zinc/55/80/41/360558041.db2.gz JGCPTJNIIDGYLS-UHFFFAOYSA-N 1 1 304.272 2.294 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2cccc(F)c2C1 ZINC000602799838 360560571 /nfs/dbraw/zinc/56/05/71/360560571.db2.gz VKWBMPFNWRLRGN-UHFFFAOYSA-N 1 1 304.325 2.297 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2cccc(F)c2C1 ZINC000602799838 360560573 /nfs/dbraw/zinc/56/05/73/360560573.db2.gz VKWBMPFNWRLRGN-UHFFFAOYSA-N 1 1 304.325 2.297 20 5 DEBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602779229 360550070 /nfs/dbraw/zinc/55/00/70/360550070.db2.gz LILUJPZIYBQERQ-QWHCGFSZSA-N 1 1 310.398 2.235 20 5 DEBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602783320 360550877 /nfs/dbraw/zinc/55/08/77/360550877.db2.gz KWIJFXZKLLUPBY-DOMZBBRYSA-N 1 1 310.398 2.235 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000602838698 360582843 /nfs/dbraw/zinc/58/28/43/360582843.db2.gz GUZGHHRGWLPOKY-LBPRGKRZSA-N 1 1 316.361 2.383 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000602838698 360582846 /nfs/dbraw/zinc/58/28/46/360582846.db2.gz GUZGHHRGWLPOKY-LBPRGKRZSA-N 1 1 316.361 2.383 20 5 DEBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000603401172 360818289 /nfs/dbraw/zinc/81/82/89/360818289.db2.gz IJABGLXNKADBFM-CYBMUJFWSA-N 1 1 305.378 2.284 20 5 DEBDMO C[N@H+]1CCCN(CCCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000604526502 360914253 /nfs/dbraw/zinc/91/42/53/360914253.db2.gz MFMIQOWQTXIVDF-UHFFFAOYSA-N 1 1 310.373 2.173 20 5 DEBDMO CN1CCC[N@H+](CCCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000604526502 360914255 /nfs/dbraw/zinc/91/42/55/360914255.db2.gz MFMIQOWQTXIVDF-UHFFFAOYSA-N 1 1 310.373 2.173 20 5 DEBDMO CN1CCC[N@@H+](CCCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000604526502 360914260 /nfs/dbraw/zinc/91/42/60/360914260.db2.gz MFMIQOWQTXIVDF-UHFFFAOYSA-N 1 1 310.373 2.173 20 5 DEBDMO CO[C@@]1(C)CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619431589 363791455 /nfs/dbraw/zinc/79/14/55/363791455.db2.gz MGJZRVYQLUYHIQ-INIZCTEOSA-N 1 1 322.361 2.367 20 5 DEBDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619431589 363791461 /nfs/dbraw/zinc/79/14/61/363791461.db2.gz MGJZRVYQLUYHIQ-INIZCTEOSA-N 1 1 322.361 2.367 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707660 361663221 /nfs/dbraw/zinc/66/32/21/361663221.db2.gz KGHXADCRSODVGJ-IAQYHMDHSA-N 1 1 315.377 2.314 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000449195942 240176961 /nfs/dbraw/zinc/17/69/61/240176961.db2.gz XCRDHKXSHBGNNQ-BXUZGUMPSA-N 1 1 300.362 2.396 20 5 DEBDMO CSC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550832 243112554 /nfs/dbraw/zinc/11/25/54/243112554.db2.gz SEQTTWDNYGIHEU-HIFRSBDPSA-N 1 1 310.419 2.498 20 5 DEBDMO CCOC[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093838988 193316576 /nfs/dbraw/zinc/31/65/76/193316576.db2.gz NEZPCZZBIAVSHV-GFCCVEGCSA-N 1 1 324.377 2.470 20 5 DEBDMO COc1ccc(C[N@@H+](C)CCCn2ccnc2)cc1[N+](=O)[O-] ZINC000271740702 209172456 /nfs/dbraw/zinc/17/24/56/209172456.db2.gz WGHKQBAHZPQNGD-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000282500017 217042973 /nfs/dbraw/zinc/04/29/73/217042973.db2.gz NJPSIQPNARCARP-ZYHUDNBSSA-N 1 1 310.325 2.365 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000282500017 217042978 /nfs/dbraw/zinc/04/29/78/217042978.db2.gz NJPSIQPNARCARP-ZYHUDNBSSA-N 1 1 310.325 2.365 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000288291815 220066961 /nfs/dbraw/zinc/06/69/61/220066961.db2.gz GTWFQZXWQBQZHJ-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000288291815 220066963 /nfs/dbraw/zinc/06/69/63/220066963.db2.gz GTWFQZXWQBQZHJ-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454639645 246013209 /nfs/dbraw/zinc/01/32/09/246013209.db2.gz IXSLTOGMKUFPJX-SGMGOOAPSA-N 1 1 320.393 2.438 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492383890 249052880 /nfs/dbraw/zinc/05/28/80/249052880.db2.gz MHQYECFMSJYCIE-ONYUAGEFSA-N 1 1 321.352 2.298 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492648797 249108425 /nfs/dbraw/zinc/10/84/25/249108425.db2.gz ONDGOCMLIBOXCZ-XBXARRHUSA-N 1 1 321.352 2.300 20 5 DEBDMO CCOc1cc(C[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)ccc1[N+](=O)[O-] ZINC000493570611 249327151 /nfs/dbraw/zinc/32/71/51/249327151.db2.gz ABAHDVLJTPBTAH-YPMHNXCESA-N 1 1 322.361 2.377 20 5 DEBDMO COc1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000268873144 207041286 /nfs/dbraw/zinc/04/12/86/207041286.db2.gz VUMDHQQKMUCKJI-LBPRGKRZSA-N 1 1 302.334 2.494 20 5 DEBDMO COc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000268873144 207041290 /nfs/dbraw/zinc/04/12/90/207041290.db2.gz VUMDHQQKMUCKJI-LBPRGKRZSA-N 1 1 302.334 2.494 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000066177866 184394951 /nfs/dbraw/zinc/39/49/51/184394951.db2.gz MBUXGJYBXBZKLW-GFCCVEGCSA-N 1 1 308.382 2.124 20 5 DEBDMO COC[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000296667699 532950284 /nfs/dbraw/zinc/95/02/84/532950284.db2.gz KLPABKISABGIRE-LRDDRELGSA-N 1 1 321.377 2.280 20 5 DEBDMO COC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000296667699 532950286 /nfs/dbraw/zinc/95/02/86/532950286.db2.gz KLPABKISABGIRE-LRDDRELGSA-N 1 1 321.377 2.280 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1CCOCC1 ZINC000156097040 197085831 /nfs/dbraw/zinc/08/58/31/197085831.db2.gz YARKPNGXJJCWNW-GFCCVEGCSA-N 1 1 321.377 2.280 20 5 DEBDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000155625178 197073023 /nfs/dbraw/zinc/07/30/23/197073023.db2.gz IVGPZQJFMLGLFM-OAHLLOKOSA-N 1 1 305.378 2.251 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H](CC(C)C)[NH+]2CCOCC2)n1 ZINC000120852344 195250991 /nfs/dbraw/zinc/25/09/91/195250991.db2.gz HPQNMPWJEGOIPT-AWEZNQCLSA-N 1 1 322.409 2.457 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)[C@@H]2CCCSC2)c(F)c1 ZINC000355493709 133029348 /nfs/dbraw/zinc/02/93/48/133029348.db2.gz JPBQQBIRVLTTIY-CYBMUJFWSA-N 1 1 314.382 2.424 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000357412955 133076274 /nfs/dbraw/zinc/07/62/74/133076274.db2.gz KXTZSFIVPGMNNJ-JSGCOSHPSA-N 1 1 319.405 2.471 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCC[N@@H+]1CCCO ZINC000563861154 292076568 /nfs/dbraw/zinc/07/65/68/292076568.db2.gz CAKWFLJLOVLMIZ-GDBMZVCRSA-N 1 1 321.421 2.401 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCC[N@H+]1CCCO ZINC000563861154 292076569 /nfs/dbraw/zinc/07/65/69/292076569.db2.gz CAKWFLJLOVLMIZ-GDBMZVCRSA-N 1 1 321.421 2.401 20 5 DEBDMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000564765936 292109210 /nfs/dbraw/zinc/10/92/10/292109210.db2.gz ORDKOKPQVKEQDN-STQMWFEESA-N 1 1 305.378 2.156 20 5 DEBDMO CCOC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246290795 145097070 /nfs/dbraw/zinc/09/70/70/145097070.db2.gz XVRLRKBIYPZQCD-CHWSQXEVSA-N 1 1 321.377 2.280 20 5 DEBDMO CCOC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246290795 145097071 /nfs/dbraw/zinc/09/70/71/145097071.db2.gz XVRLRKBIYPZQCD-CHWSQXEVSA-N 1 1 321.377 2.280 20 5 DEBDMO CCOC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246303631 145097965 /nfs/dbraw/zinc/09/79/65/145097965.db2.gz YVDLOMZDZOWDHN-CHWSQXEVSA-N 1 1 321.377 2.280 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000246943694 145120128 /nfs/dbraw/zinc/12/01/28/145120128.db2.gz NQNMTQWGENPDJJ-HUUCEWRRSA-N 1 1 324.402 2.180 20 5 DEBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000248439535 145154818 /nfs/dbraw/zinc/15/48/18/145154818.db2.gz CMXVVVWEWXZIOV-HZSPNIEDSA-N 1 1 308.378 2.312 20 5 DEBDMO COc1c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)nn1C ZINC000318102753 145367718 /nfs/dbraw/zinc/36/77/18/145367718.db2.gz APOLAOHKYANZDW-SNVBAGLBSA-N 1 1 304.350 2.496 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1F ZINC000323406193 145380252 /nfs/dbraw/zinc/38/02/52/145380252.db2.gz VHXIDEKQRDUOAS-VXGBXAGGSA-N 1 1 321.352 2.399 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000346406953 146077092 /nfs/dbraw/zinc/07/70/92/146077092.db2.gz ZUGDKVDXWLHUSW-LLVKDONJSA-N 1 1 322.365 2.161 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000346663806 146120116 /nfs/dbraw/zinc/12/01/16/146120116.db2.gz XCSYHCCFZJETQP-GXSJLCMTSA-N 1 1 319.317 2.119 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000346663806 146120119 /nfs/dbraw/zinc/12/01/19/146120119.db2.gz XCSYHCCFZJETQP-GXSJLCMTSA-N 1 1 319.317 2.119 20 5 DEBDMO CN(C)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc[nH+]1 ZINC000346932037 146166627 /nfs/dbraw/zinc/16/66/27/146166627.db2.gz PIBKTHOJWMHHGP-UHFFFAOYSA-N 1 1 318.308 2.376 20 5 DEBDMO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000348236507 146238731 /nfs/dbraw/zinc/23/87/31/146238731.db2.gz VTHGWEKYAWZZFM-LRDDRELGSA-N 1 1 306.362 2.473 20 5 DEBDMO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000348236507 146238734 /nfs/dbraw/zinc/23/87/34/146238734.db2.gz VTHGWEKYAWZZFM-LRDDRELGSA-N 1 1 306.362 2.473 20 5 DEBDMO C[C@@H](C1CCC1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000357047389 147030476 /nfs/dbraw/zinc/03/04/76/147030476.db2.gz VLJNRZWOBYZRGK-WFASDCNBSA-N 1 1 308.378 2.455 20 5 DEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000357324102 147087413 /nfs/dbraw/zinc/08/74/13/147087413.db2.gz XDNKCRAOYHPBSW-CABCVRRESA-N 1 1 321.352 2.019 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358418622 147129968 /nfs/dbraw/zinc/12/99/68/147129968.db2.gz ZUKWBATWIRBAQZ-IAQYHMDHSA-N 1 1 323.368 2.075 20 5 DEBDMO Cc1c(CNC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000359284201 147298680 /nfs/dbraw/zinc/29/86/80/147298680.db2.gz LFTQDRHBUJJKJP-OCCSQVGLSA-N 1 1 320.393 2.185 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000374364165 148236139 /nfs/dbraw/zinc/23/61/39/148236139.db2.gz FSFWEYBEZDAMMB-WBVHZDCISA-N 1 1 320.389 2.377 20 5 DEBDMO C[C@H](C1CC1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000073780318 401721772 /nfs/dbraw/zinc/72/17/72/401721772.db2.gz HXEJGXCJKVDOQH-LLVKDONJSA-N 1 1 303.362 2.214 20 5 DEBDMO CC[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000127677231 401745224 /nfs/dbraw/zinc/74/52/24/401745224.db2.gz KFKSHDKZZXCRNQ-WMLDXEAASA-N 1 1 320.437 2.271 20 5 DEBDMO Cc1c(CC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000126822470 401709957 /nfs/dbraw/zinc/70/99/57/401709957.db2.gz CCZBHZPJOFTLRB-LSDHHAIUSA-N 1 1 317.389 2.141 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000111635885 401718979 /nfs/dbraw/zinc/71/89/79/401718979.db2.gz DUMBKBHKWFOJTL-GFCCVEGCSA-N 1 1 320.393 2.090 20 5 DEBDMO COc1ccc(C[N@H+]2CCC[C@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000076294105 401789091 /nfs/dbraw/zinc/78/90/91/401789091.db2.gz HYCDRQPXAGNFBN-ZDUSSCGKSA-N 1 1 322.361 2.188 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000076293537 401789257 /nfs/dbraw/zinc/78/92/57/401789257.db2.gz DUNJJKDJUFEONW-ZDUSSCGKSA-N 1 1 322.361 2.059 20 5 DEBDMO CO[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000076348088 401792647 /nfs/dbraw/zinc/79/26/47/401792647.db2.gz VYQDOCXZZOXYTQ-CYBMUJFWSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000115433494 401828082 /nfs/dbraw/zinc/82/80/82/401828082.db2.gz PRXAOXPGFSFZEG-ZDUSSCGKSA-N 1 1 305.378 2.317 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOC[C@H]1CCCO1)CC2 ZINC000131456196 401850659 /nfs/dbraw/zinc/85/06/59/401850659.db2.gz SAAYUDZCPQRDCI-MRXNPFEDSA-N 1 1 306.362 2.149 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOC[C@H]1CCCO1)CC2 ZINC000131456196 401850660 /nfs/dbraw/zinc/85/06/60/401850660.db2.gz SAAYUDZCPQRDCI-MRXNPFEDSA-N 1 1 306.362 2.149 20 5 DEBDMO CCCCC[N@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000118825520 401909476 /nfs/dbraw/zinc/90/94/76/401909476.db2.gz OHRNAWYEGDLDOB-UHFFFAOYSA-N 1 1 309.366 2.018 20 5 DEBDMO CCCCC[N@@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000118825520 401909478 /nfs/dbraw/zinc/90/94/78/401909478.db2.gz OHRNAWYEGDLDOB-UHFFFAOYSA-N 1 1 309.366 2.018 20 5 DEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000045753283 401961278 /nfs/dbraw/zinc/96/12/78/401961278.db2.gz KBWSFSCSWZDXRS-ZDUSSCGKSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000120559497 401994145 /nfs/dbraw/zinc/99/41/45/401994145.db2.gz QGCPCRYSZIEZDU-CMPLNLGQSA-N 1 1 321.352 2.018 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000122365014 402075239 /nfs/dbraw/zinc/07/52/39/402075239.db2.gz JOUPJAXDTGFFQC-IUODEOHRSA-N 1 1 324.377 2.075 20 5 DEBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000122607679 402086616 /nfs/dbraw/zinc/08/66/16/402086616.db2.gz DTUDKTXZVLCULM-PXTSUWAFSA-N 1 1 303.362 2.161 20 5 DEBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000122607679 402086617 /nfs/dbraw/zinc/08/66/17/402086617.db2.gz DTUDKTXZVLCULM-PXTSUWAFSA-N 1 1 303.362 2.161 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153005596 402121948 /nfs/dbraw/zinc/12/19/48/402121948.db2.gz PXCMOELMYHRTEC-CJNGLKHVSA-N 1 1 319.405 2.326 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122250693 402068977 /nfs/dbraw/zinc/06/89/77/402068977.db2.gz KJYKICSIUMDEGP-OAHLLOKOSA-N 1 1 319.405 2.436 20 5 DEBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153933006 402181244 /nfs/dbraw/zinc/18/12/44/402181244.db2.gz QQCGILLPVFWFKK-VIFPVBQESA-N 1 1 300.742 2.489 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000067963219 402181305 /nfs/dbraw/zinc/18/13/05/402181305.db2.gz IGFOTKFQBBFJHY-NWDGAFQWSA-N 1 1 321.377 2.341 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153682366 402162564 /nfs/dbraw/zinc/16/25/64/402162564.db2.gz STXABGIOFDNXPM-UHFFFAOYSA-N 1 1 306.366 2.463 20 5 DEBDMO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000153811995 402171741 /nfs/dbraw/zinc/17/17/41/402171741.db2.gz KZZYJZMKZIAXAD-JTQLQIEISA-N 1 1 314.773 2.023 20 5 DEBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccc([N+](=O)[O-])cn1 ZINC000154578329 402219249 /nfs/dbraw/zinc/21/92/49/402219249.db2.gz SKKUIVNOEVCXMC-UHFFFAOYSA-N 1 1 315.333 2.273 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000154849769 402236155 /nfs/dbraw/zinc/23/61/55/402236155.db2.gz RGZJNPIJLIQWOC-HNNXBMFYSA-N 1 1 315.377 2.368 20 5 DEBDMO CC(=O)NC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000155542687 402260099 /nfs/dbraw/zinc/26/00/99/402260099.db2.gz VHPQGTRQFHFPQD-PXTSUWAFSA-N 1 1 317.389 2.456 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000154339459 402207199 /nfs/dbraw/zinc/20/71/99/402207199.db2.gz VTVCDMOJLOMJDW-NHYWBVRUSA-N 1 1 321.352 2.290 20 5 DEBDMO C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000217818801 402293887 /nfs/dbraw/zinc/29/38/87/402293887.db2.gz OOUOBKDWPIIHDC-VIFPVBQESA-N 1 1 311.769 2.461 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000217798737 402293965 /nfs/dbraw/zinc/29/39/65/402293965.db2.gz PDEWVPDOFCBVDD-UHFFFAOYSA-N 1 1 311.769 2.462 20 5 DEBDMO CCOC(=O)c1cc(N(C)CC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000184786372 402299747 /nfs/dbraw/zinc/29/97/47/402299747.db2.gz RXMMUERXQZBCNK-UHFFFAOYSA-N 1 1 321.377 2.302 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177054005 402364203 /nfs/dbraw/zinc/36/42/03/402364203.db2.gz MKVZFLGFECSSIO-MZMNXDGSSA-N 1 1 315.373 2.349 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000159696428 402329117 /nfs/dbraw/zinc/32/91/17/402329117.db2.gz HIXQKQXHICIGPN-ZDUSSCGKSA-N 1 1 320.393 2.393 20 5 DEBDMO COC(=O)[C@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177452736 402403936 /nfs/dbraw/zinc/40/39/36/402403936.db2.gz IAUOJKQGEXKQCP-OAHLLOKOSA-N 1 1 319.317 2.121 20 5 DEBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177452736 402403938 /nfs/dbraw/zinc/40/39/38/402403938.db2.gz IAUOJKQGEXKQCP-OAHLLOKOSA-N 1 1 319.317 2.121 20 5 DEBDMO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177542871 402414517 /nfs/dbraw/zinc/41/45/17/402414517.db2.gz IPYYXTUNLJSDQN-BETUJISGSA-N 1 1 303.362 2.316 20 5 DEBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccccc1 ZINC000245574311 402471241 /nfs/dbraw/zinc/47/12/41/402471241.db2.gz DLODTFGQRYNHEI-SUMWQHHRSA-N 1 1 313.357 2.450 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000247219530 402560103 /nfs/dbraw/zinc/56/01/03/402560103.db2.gz CNVXFVXNRMPHQO-DOMZBBRYSA-N 1 1 305.378 2.315 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@H](CCC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000170733168 402518064 /nfs/dbraw/zinc/51/80/64/402518064.db2.gz VUNVCKSSQXVEFS-CYBMUJFWSA-N 1 1 305.378 2.381 20 5 DEBDMO C[C@@H]([N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000246210519 402518579 /nfs/dbraw/zinc/51/85/79/402518579.db2.gz YDTZFBFTXCHEFK-TZMCWYRMSA-N 1 1 308.378 2.455 20 5 DEBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000179119686 402573893 /nfs/dbraw/zinc/57/38/93/402573893.db2.gz DHYQNULQGUNYEN-GFCCVEGCSA-N 1 1 308.334 2.131 20 5 DEBDMO CCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000171680847 402608851 /nfs/dbraw/zinc/60/88/51/402608851.db2.gz FQIGIWRZNMWPIQ-UHFFFAOYSA-N 1 1 303.362 2.358 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000172606180 402665824 /nfs/dbraw/zinc/66/58/24/402665824.db2.gz FMOLJEYMQQWVIX-FZMZJTMJSA-N 1 1 321.377 2.016 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255437042 402687558 /nfs/dbraw/zinc/68/75/58/402687558.db2.gz RYFIDNBRNPHUFS-CDNLZTBQSA-N 1 1 303.362 2.209 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255437044 402687873 /nfs/dbraw/zinc/68/78/73/402687873.db2.gz RYFIDNBRNPHUFS-WHLNPGIBSA-N 1 1 303.362 2.209 20 5 DEBDMO CCCCC[N@H+](CC(N)=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000183028953 402733643 /nfs/dbraw/zinc/73/36/43/402733643.db2.gz UGGBEGQLVUQVAC-UHFFFAOYSA-N 1 1 309.366 2.081 20 5 DEBDMO CCCCC[N@@H+](CC(N)=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000183028953 402733645 /nfs/dbraw/zinc/73/36/45/402733645.db2.gz UGGBEGQLVUQVAC-UHFFFAOYSA-N 1 1 309.366 2.081 20 5 DEBDMO CCOc1ccccc1C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174863292 402760191 /nfs/dbraw/zinc/76/01/91/402760191.db2.gz KCBJTXVZSGFZQJ-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO CO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000263961771 402824977 /nfs/dbraw/zinc/82/49/77/402824977.db2.gz PDLOUDFXBCGATA-BXUZGUMPSA-N 1 1 307.350 2.033 20 5 DEBDMO CO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000263961771 402824978 /nfs/dbraw/zinc/82/49/78/402824978.db2.gz PDLOUDFXBCGATA-BXUZGUMPSA-N 1 1 307.350 2.033 20 5 DEBDMO COc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000184234664 402828846 /nfs/dbraw/zinc/82/88/46/402828846.db2.gz ARIBBKWUOJSBKP-OAHLLOKOSA-N 1 1 310.325 2.355 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000184234664 402828848 /nfs/dbraw/zinc/82/88/48/402828848.db2.gz ARIBBKWUOJSBKP-OAHLLOKOSA-N 1 1 310.325 2.355 20 5 DEBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195090402 402830855 /nfs/dbraw/zinc/83/08/55/402830855.db2.gz CULOBEKWXCFJLT-HVHJFMEUSA-N 1 1 315.373 2.305 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000278559131 402868015 /nfs/dbraw/zinc/86/80/15/402868015.db2.gz WKZJQDILQGWFAA-HZMBPMFUSA-N 1 1 301.350 2.002 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCCCCO ZINC000278942751 402888825 /nfs/dbraw/zinc/88/88/25/402888825.db2.gz UQVAEXWIYXXWJR-LBPRGKRZSA-N 1 1 309.366 2.016 20 5 DEBDMO COC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000265778057 402948853 /nfs/dbraw/zinc/94/88/53/402948853.db2.gz JXIAPTWKALVPNZ-OLZOCXBDSA-N 1 1 321.377 2.199 20 5 DEBDMO COc1cc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000266187088 402967175 /nfs/dbraw/zinc/96/71/75/402967175.db2.gz BDOJLXLNBDSNKR-NWDGAFQWSA-N 1 1 309.366 2.125 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272241864 402913770 /nfs/dbraw/zinc/91/37/70/402913770.db2.gz GQSGSNQGAZRJPG-SWLSCSKDSA-N 1 1 318.377 2.461 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272374877 402929553 /nfs/dbraw/zinc/92/95/53/402929553.db2.gz BGGYSFVKZZVUGX-IUODEOHRSA-N 1 1 303.362 2.069 20 5 DEBDMO Cc1c(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280438938 402999946 /nfs/dbraw/zinc/99/99/46/402999946.db2.gz MXYMGPCWBVIXOV-XJKSGUPXSA-N 1 1 306.362 2.283 20 5 DEBDMO Cc1c(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280438938 402999949 /nfs/dbraw/zinc/99/99/49/402999949.db2.gz MXYMGPCWBVIXOV-XJKSGUPXSA-N 1 1 306.362 2.283 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273515316 403011263 /nfs/dbraw/zinc/01/12/63/403011263.db2.gz XQEFJQAWQUTLRM-LKFCYVNXSA-N 1 1 322.340 2.338 20 5 DEBDMO CC[N@H+](Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)C1CC1 ZINC000273691092 403026090 /nfs/dbraw/zinc/02/60/90/403026090.db2.gz MDVLMTRBOVMYDS-UHFFFAOYSA-N 1 1 303.322 2.211 20 5 DEBDMO CC[N@@H+](Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)C1CC1 ZINC000273691092 403026092 /nfs/dbraw/zinc/02/60/92/403026092.db2.gz MDVLMTRBOVMYDS-UHFFFAOYSA-N 1 1 303.322 2.211 20 5 DEBDMO CC[C@H]1CO[C@H](C)C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266547889 402973231 /nfs/dbraw/zinc/97/32/31/402973231.db2.gz SNFBBCZQILRTAK-OLZOCXBDSA-N 1 1 324.377 2.482 20 5 DEBDMO CC[C@H]1CO[C@H](C)C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266547889 402973233 /nfs/dbraw/zinc/97/32/33/402973233.db2.gz SNFBBCZQILRTAK-OLZOCXBDSA-N 1 1 324.377 2.482 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000274336934 403046023 /nfs/dbraw/zinc/04/60/23/403046023.db2.gz CCZDJFUEBUZWNE-ZANVPECISA-N 1 1 323.780 2.461 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268155175 403055526 /nfs/dbraw/zinc/05/55/26/403055526.db2.gz NIAMLBIORPQLQG-TVQRCGJNSA-N 1 1 306.322 2.398 20 5 DEBDMO Cc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000268265006 403068235 /nfs/dbraw/zinc/06/82/35/403068235.db2.gz TYYVEOZPGJAINY-ABAIWWIYSA-N 1 1 303.362 2.116 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268294011 403070686 /nfs/dbraw/zinc/07/06/86/403070686.db2.gz ZVNXOGNCXDUACE-LRDDRELGSA-N 1 1 317.389 2.126 20 5 DEBDMO COc1cc(NCCN2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281703244 403083559 /nfs/dbraw/zinc/08/35/59/403083559.db2.gz SZFNQISUVMHFAW-UHFFFAOYSA-N 1 1 322.409 2.041 20 5 DEBDMO COc1cc(NCC[N@@H+]2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281703244 403083561 /nfs/dbraw/zinc/08/35/61/403083561.db2.gz SZFNQISUVMHFAW-UHFFFAOYSA-N 1 1 322.409 2.041 20 5 DEBDMO COc1cc(NCC[N@H+]2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281703244 403083563 /nfs/dbraw/zinc/08/35/63/403083563.db2.gz SZFNQISUVMHFAW-UHFFFAOYSA-N 1 1 322.409 2.041 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000269785348 403165861 /nfs/dbraw/zinc/16/58/61/403165861.db2.gz HVFIGGARKOPWPB-YNEHKIRRSA-N 1 1 321.377 2.157 20 5 DEBDMO O=[N+]([O-])c1cc2ccccc2nc1NCC[N@H+]1CCCOCC1 ZINC000276405632 403171628 /nfs/dbraw/zinc/17/16/28/403171628.db2.gz AIVQEDUIMBWJFX-UHFFFAOYSA-N 1 1 316.361 2.277 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1F ZINC000283110065 403172205 /nfs/dbraw/zinc/17/22/05/403172205.db2.gz MHUUBVBHFGXTNS-CQSZACIVSA-N 1 1 323.368 2.031 20 5 DEBDMO CCCc1[nH+]ccn1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000269362931 403133959 /nfs/dbraw/zinc/13/39/59/403133959.db2.gz NBELXMLGKGXIFT-UHFFFAOYSA-N 1 1 318.333 2.391 20 5 DEBDMO C[C@H]1C[N@@H+](CCCNc2cc(N)ccc2[N+](=O)[O-])CCCO1 ZINC000282372471 403147368 /nfs/dbraw/zinc/14/73/68/403147368.db2.gz YGADNGOQDDXECI-LBPRGKRZSA-N 1 1 308.382 2.090 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000269596553 403149698 /nfs/dbraw/zinc/14/96/98/403149698.db2.gz GJYFHOAEDZKDEV-UHFFFAOYSA-N 1 1 316.361 2.157 20 5 DEBDMO CCOC[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269700925 403158512 /nfs/dbraw/zinc/15/85/12/403158512.db2.gz YEKGXWFRIDVTRJ-CZUORRHYSA-N 1 1 308.378 2.377 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOCC23CCCC3)c1 ZINC000270667875 403210778 /nfs/dbraw/zinc/21/07/78/403210778.db2.gz RSGCATCTPPDYHK-HNNXBMFYSA-N 1 1 306.362 2.273 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOCC23CCCC3)c1 ZINC000270667875 403210780 /nfs/dbraw/zinc/21/07/80/403210780.db2.gz RSGCATCTPPDYHK-HNNXBMFYSA-N 1 1 306.362 2.273 20 5 DEBDMO C[C@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1CCC1 ZINC000284980826 403275971 /nfs/dbraw/zinc/27/59/71/403275971.db2.gz YAOVWUXZOVVATJ-LLVKDONJSA-N 1 1 323.349 2.486 20 5 DEBDMO Cc1c(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331245116 403361273 /nfs/dbraw/zinc/36/12/73/403361273.db2.gz LTLXUYVCEXPTEJ-FZMZJTMJSA-N 1 1 305.378 2.045 20 5 DEBDMO CC(C)S(=O)(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292202672 403320910 /nfs/dbraw/zinc/32/09/10/403320910.db2.gz SKUJVBJTDXUPQK-UHFFFAOYSA-N 1 1 314.407 2.243 20 5 DEBDMO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1O ZINC000339061918 403339681 /nfs/dbraw/zinc/33/96/81/403339681.db2.gz SQLNYBIEOQRHJS-PELKAZGASA-N 1 1 304.268 2.426 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1O ZINC000339061918 403339687 /nfs/dbraw/zinc/33/96/87/403339687.db2.gz SQLNYBIEOQRHJS-PELKAZGASA-N 1 1 304.268 2.426 20 5 DEBDMO CN(C)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000298436451 403382673 /nfs/dbraw/zinc/38/26/73/403382673.db2.gz AXVQOORYMKLGKK-UHFFFAOYSA-N 1 1 310.373 2.172 20 5 DEBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332040728 403468132 /nfs/dbraw/zinc/46/81/32/403468132.db2.gz KNXPLGWOPBPVNI-KBPBESRZSA-N 1 1 322.340 2.482 20 5 DEBDMO CC[C@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000332090755 403480244 /nfs/dbraw/zinc/48/02/44/403480244.db2.gz BIYWGAMYORENTA-JTQLQIEISA-N 1 1 321.333 2.136 20 5 DEBDMO CC[C@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000332090755 403480249 /nfs/dbraw/zinc/48/02/49/403480249.db2.gz BIYWGAMYORENTA-JTQLQIEISA-N 1 1 321.333 2.136 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345907042 403528491 /nfs/dbraw/zinc/52/84/91/403528491.db2.gz NIQAUVOCGAOHJA-QWHCGFSZSA-N 1 1 305.378 2.458 20 5 DEBDMO CC[N@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000286449985 403529190 /nfs/dbraw/zinc/52/91/90/403529190.db2.gz UCMNGRMFEDXVKR-VIFPVBQESA-N 1 1 307.379 2.130 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345957392 403548928 /nfs/dbraw/zinc/54/89/28/403548928.db2.gz MLMMZPPIRZRCHM-WDEREUQCSA-N 1 1 309.341 2.289 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000343448908 403595324 /nfs/dbraw/zinc/59/53/24/403595324.db2.gz CVTJOQDGHXMENF-PWSUYJOCSA-N 1 1 307.350 2.276 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345982559 403558747 /nfs/dbraw/zinc/55/87/47/403558747.db2.gz MMXVWGSNKQBVNE-QWHCGFSZSA-N 1 1 305.378 2.078 20 5 DEBDMO C[C@@H]1[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343527288 403623765 /nfs/dbraw/zinc/62/37/65/403623765.db2.gz VGUGLDNPCZXNBM-DOMZBBRYSA-N 1 1 305.378 2.126 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000343586432 403651999 /nfs/dbraw/zinc/65/19/99/403651999.db2.gz DITNNOZBGYXXMI-CYBMUJFWSA-N 1 1 321.377 2.208 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000294122262 403653133 /nfs/dbraw/zinc/65/31/33/403653133.db2.gz LVTIQJBSKKVCIR-INIZCTEOSA-N 1 1 303.362 2.153 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287815960 403671957 /nfs/dbraw/zinc/67/19/57/403671957.db2.gz KOESBBOHRLFSRP-GXSJLCMTSA-N 1 1 321.406 2.376 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000301770459 403676818 /nfs/dbraw/zinc/67/68/18/403676818.db2.gz KGQZNMUUSJWWCD-UHFFFAOYSA-N 1 1 322.409 2.093 20 5 DEBDMO C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[N@H+]1CCC[C@H](C)C1 ZINC000301910578 403699899 /nfs/dbraw/zinc/69/98/99/403699899.db2.gz GESZDCNUJXYRAL-NWDGAFQWSA-N 1 1 318.381 2.170 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343581389 403649516 /nfs/dbraw/zinc/64/95/16/403649516.db2.gz ZCOOLMPNNRVHMF-IUODEOHRSA-N 1 1 319.405 2.471 20 5 DEBDMO COC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000295140963 403772384 /nfs/dbraw/zinc/77/23/84/403772384.db2.gz PUMCHXWXXHFZDW-CQSZACIVSA-N 1 1 309.322 2.361 20 5 DEBDMO COC[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000295140963 403772388 /nfs/dbraw/zinc/77/23/88/403772388.db2.gz PUMCHXWXXHFZDW-CQSZACIVSA-N 1 1 309.322 2.361 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341135141 403791051 /nfs/dbraw/zinc/79/10/51/403791051.db2.gz YASZTUOLFDCRLG-NSHDSACASA-N 1 1 308.382 2.226 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411556834 403894538 /nfs/dbraw/zinc/89/45/38/403894538.db2.gz PRICTGNPOYADRO-UHOFOFEASA-N 1 1 317.389 2.156 20 5 DEBDMO COc1c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000354595353 403895255 /nfs/dbraw/zinc/89/52/55/403895255.db2.gz LFBUBMWGFDSNKA-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO C[N@@H+](C[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000289439448 403964161 /nfs/dbraw/zinc/96/41/61/403964161.db2.gz YUEKMKBAKIFYQN-QGZVFWFLSA-N 1 1 319.405 2.014 20 5 DEBDMO C[C@H]1[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000344235434 403997460 /nfs/dbraw/zinc/99/74/60/403997460.db2.gz LFEQYJMWFRRWOT-JSGCOSHPSA-N 1 1 320.393 2.219 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](N2CCOCC2)[C@@H]1C ZINC000351940091 404021851 /nfs/dbraw/zinc/02/18/51/404021851.db2.gz ZFRUNFFNFCGLLY-KEYYUXOJSA-N 1 1 319.405 2.451 20 5 DEBDMO C[C@H](C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347958706 403977801 /nfs/dbraw/zinc/97/78/01/403977801.db2.gz OOQKZZKJFPYOSY-RWSFTLGLSA-N 1 1 323.368 2.436 20 5 DEBDMO C[C@@H]1CC(C)(C)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412046391 404084251 /nfs/dbraw/zinc/08/42/51/404084251.db2.gz REOBJOSWYKMIFT-OLZOCXBDSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000351960745 404036364 /nfs/dbraw/zinc/03/63/64/404036364.db2.gz WBVQHIQUJMLMDT-KBPBESRZSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000351960745 404036376 /nfs/dbraw/zinc/03/63/76/404036376.db2.gz WBVQHIQUJMLMDT-KBPBESRZSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000351960745 404036387 /nfs/dbraw/zinc/03/63/87/404036387.db2.gz WBVQHIQUJMLMDT-KBPBESRZSA-N 1 1 307.394 2.388 20 5 DEBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296014427 404053097 /nfs/dbraw/zinc/05/30/97/404053097.db2.gz MTGMPRMIFCGTBE-HUUCEWRRSA-N 1 1 308.378 2.375 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363096770 404070175 /nfs/dbraw/zinc/07/01/75/404070175.db2.gz DNUQEDLMJMQRHJ-CHWSQXEVSA-N 1 1 303.362 2.260 20 5 DEBDMO CS[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000296219538 404149547 /nfs/dbraw/zinc/14/95/47/404149547.db2.gz KCWIKVINJGMRQL-LLVKDONJSA-N 1 1 309.391 2.361 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296299331 404186139 /nfs/dbraw/zinc/18/61/39/404186139.db2.gz DXKFWICPFGNRKB-NSHDSACASA-N 1 1 317.349 2.160 20 5 DEBDMO C[C@H](NC(=O)N1CC[N@@H+](C)CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341912016 404251448 /nfs/dbraw/zinc/25/14/48/404251448.db2.gz AGSPSAIRHIZIBI-OLZOCXBDSA-N 1 1 320.393 2.391 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000344696341 404313070 /nfs/dbraw/zinc/31/30/70/404313070.db2.gz TXXAOVGDZUYTOH-CQSZACIVSA-N 1 1 305.378 2.445 20 5 DEBDMO CCn1nccc1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000338545328 404393697 /nfs/dbraw/zinc/39/36/97/404393697.db2.gz YKURSWCYAJQVBP-UHFFFAOYSA-N 1 1 300.362 2.412 20 5 DEBDMO COc1nccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000296972915 404396862 /nfs/dbraw/zinc/39/68/62/404396862.db2.gz UVOYEKPUXIXYDE-UHFFFAOYSA-N 1 1 302.334 2.068 20 5 DEBDMO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352542971 404445950 /nfs/dbraw/zinc/44/59/50/404445950.db2.gz APKCZVKTUZHOBO-GFCCVEGCSA-N 1 1 307.394 2.372 20 5 DEBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352542971 404445954 /nfs/dbraw/zinc/44/59/54/404445954.db2.gz APKCZVKTUZHOBO-GFCCVEGCSA-N 1 1 307.394 2.372 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000297837442 404638824 /nfs/dbraw/zinc/63/88/24/404638824.db2.gz KGKQOLMODKCJRO-UHFFFAOYSA-N 1 1 307.350 2.416 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342569549 404655627 /nfs/dbraw/zinc/65/56/27/404655627.db2.gz MPDRQVKUDNKZON-WFASDCNBSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000352882421 404679768 /nfs/dbraw/zinc/67/97/68/404679768.db2.gz IPCGHSXCNQJNKO-LBPRGKRZSA-N 1 1 306.366 2.367 20 5 DEBDMO C[NH+]1CCC2(CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000356790047 404693026 /nfs/dbraw/zinc/69/30/26/404693026.db2.gz XLTDIIJNFTZYLK-UHFFFAOYSA-N 1 1 319.361 2.001 20 5 DEBDMO COc1cc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000356811763 404698838 /nfs/dbraw/zinc/69/88/38/404698838.db2.gz PWMHODABQNHCBI-NSHDSACASA-N 1 1 309.366 2.062 20 5 DEBDMO COCCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353460612 404836267 /nfs/dbraw/zinc/83/62/67/404836267.db2.gz CPYREWFQMZMDAD-AWEZNQCLSA-N 1 1 304.350 2.044 20 5 DEBDMO Cc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc(C)[nH+]1 ZINC000376047290 404794556 /nfs/dbraw/zinc/79/45/56/404794556.db2.gz TXLZYOCGDUKBHG-UHFFFAOYSA-N 1 1 302.338 2.040 20 5 DEBDMO C[C@H](O)CCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353608982 404881714 /nfs/dbraw/zinc/88/17/14/404881714.db2.gz SSNOAZQTWUYBQB-SWLSCSKDSA-N 1 1 318.377 2.168 20 5 DEBDMO C[NH+](C)CCOC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000353515800 404854735 /nfs/dbraw/zinc/85/47/35/404854735.db2.gz FQILNRVKGFBDJS-UHFFFAOYSA-N 1 1 307.394 2.137 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](C[C@@H]3CCOC3)C3CC3)nc2c1 ZINC000361273378 405003106 /nfs/dbraw/zinc/00/31/06/405003106.db2.gz NVZVNCKIJHLEIM-NSHDSACASA-N 1 1 316.361 2.472 20 5 DEBDMO Cc1nn(C)c(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000408168120 405129210 /nfs/dbraw/zinc/12/92/10/405129210.db2.gz DWNXFSAHRZOSEM-MBNYWOFBSA-N 1 1 321.425 2.478 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000408148048 405123801 /nfs/dbraw/zinc/12/38/01/405123801.db2.gz KDYCBMVPARFGTC-RYUDHWBXSA-N 1 1 306.366 2.460 20 5 DEBDMO Cc1cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000408299129 405166795 /nfs/dbraw/zinc/16/67/95/405166795.db2.gz SGOSFRVMUXRUTH-NWDGAFQWSA-N 1 1 306.366 2.460 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425063722 405241140 /nfs/dbraw/zinc/24/11/40/405241140.db2.gz GCPXXQJTBMZNBI-XJKSGUPXSA-N 1 1 317.389 2.378 20 5 DEBDMO COCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419385362 405246769 /nfs/dbraw/zinc/24/67/69/405246769.db2.gz OETMQKKMTKEVEQ-LBPRGKRZSA-N 1 1 309.366 2.280 20 5 DEBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438819150 405255365 /nfs/dbraw/zinc/25/53/65/405255365.db2.gz LPUQDRQACBYICR-NWANDNLSSA-N 1 1 310.398 2.053 20 5 DEBDMO CC[C@]1(O)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000425931786 405331246 /nfs/dbraw/zinc/33/12/46/405331246.db2.gz MYPJKHSLGACDDN-INIZCTEOSA-N 1 1 321.377 2.079 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O ZINC000426242373 405346814 /nfs/dbraw/zinc/34/68/14/405346814.db2.gz WZLYJPGDNGXSOI-HUUCEWRRSA-N 1 1 321.377 2.159 20 5 DEBDMO Cc1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000568534859 292348584 /nfs/dbraw/zinc/34/85/84/292348584.db2.gz HDLODJXJKXIGAG-UHFFFAOYSA-N 1 1 304.306 2.010 20 5 DEBDMO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000420843984 405394247 /nfs/dbraw/zinc/39/42/47/405394247.db2.gz MYQTVUXYXFZKCA-WFASDCNBSA-N 1 1 320.393 2.391 20 5 DEBDMO Cc1c(CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000420848667 405395324 /nfs/dbraw/zinc/39/53/24/405395324.db2.gz XTOWANALBDDBLF-AWEZNQCLSA-N 1 1 320.393 2.139 20 5 DEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000455459252 405412613 /nfs/dbraw/zinc/41/26/13/405412613.db2.gz GGZKFVBWSVJOIH-SWLSCSKDSA-N 1 1 318.377 2.325 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC2(CCCC2)C1 ZINC000445873435 405359925 /nfs/dbraw/zinc/35/99/25/405359925.db2.gz FBSOLMFYFJVLKT-UHFFFAOYSA-N 1 1 305.378 2.413 20 5 DEBDMO CC[C@H]1CCCC[N@H+]1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420607379 405360831 /nfs/dbraw/zinc/36/08/31/405360831.db2.gz YZSBKTVFHILRCC-LBPRGKRZSA-N 1 1 320.393 2.370 20 5 DEBDMO CC1(C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000446078238 405371150 /nfs/dbraw/zinc/37/11/50/405371150.db2.gz FJMTYLWTMZWDEE-OAHLLOKOSA-N 1 1 308.378 2.457 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421024606 405433351 /nfs/dbraw/zinc/43/33/51/405433351.db2.gz CJKCZIJLERCAIS-LBPRGKRZSA-N 1 1 322.365 2.161 20 5 DEBDMO C[N@H+]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000492279839 405497601 /nfs/dbraw/zinc/49/76/01/405497601.db2.gz ULCFZPYGTQUQBT-ALCCZGGFSA-N 1 1 321.352 2.300 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000557217588 405587817 /nfs/dbraw/zinc/58/78/17/405587817.db2.gz QEIQFYLHDYNSHF-JTQLQIEISA-N 1 1 307.350 2.272 20 5 DEBDMO C[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000558034441 405640121 /nfs/dbraw/zinc/64/01/21/405640121.db2.gz YEBGYIMQYZTBOD-DYVFJYSZSA-N 1 1 317.389 2.253 20 5 DEBDMO COc1cccc(C(=O)NCCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000457162426 405729771 /nfs/dbraw/zinc/72/97/71/405729771.db2.gz FLNDTCRWCYTLMI-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCSC3)C2)nc1 ZINC000494931310 405784613 /nfs/dbraw/zinc/78/46/13/405784613.db2.gz ANRZHNSVJLCEBH-VXGBXAGGSA-N 1 1 308.407 2.229 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496343143 405963505 /nfs/dbraw/zinc/96/35/05/405963505.db2.gz LJLAUYAKINEEFI-OLZOCXBDSA-N 1 1 319.361 2.430 20 5 DEBDMO CCC[N@H+](CC(=O)NC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470172670 406100876 /nfs/dbraw/zinc/10/08/76/406100876.db2.gz AAYOTBVGLHVEPN-UKTHLTGXSA-N 1 1 305.378 2.456 20 5 DEBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000532977911 406113025 /nfs/dbraw/zinc/11/30/25/406113025.db2.gz VWOHOMMAWYAEAL-UHFFFAOYSA-N 1 1 303.362 2.358 20 5 DEBDMO C[N@H+]1CC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000535731186 406231168 /nfs/dbraw/zinc/23/11/68/406231168.db2.gz GLMQBHYLMBMMGN-CYBMUJFWSA-N 1 1 303.362 2.038 20 5 DEBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000487136161 406208096 /nfs/dbraw/zinc/20/80/96/406208096.db2.gz KJCGHLHPZOCPRW-CABZTGNLSA-N 1 1 311.769 2.062 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000535742090 406234073 /nfs/dbraw/zinc/23/40/73/406234073.db2.gz DPUINOGVXKKTGL-NEPJUHHUSA-N 1 1 320.393 2.191 20 5 DEBDMO Cc1nc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488729953 406341167 /nfs/dbraw/zinc/34/11/67/406341167.db2.gz GXECKQAKUQBGMW-YWPYICTPSA-N 1 1 304.394 2.465 20 5 DEBDMO CCc1nn(C)c(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488755661 406345105 /nfs/dbraw/zinc/34/51/05/406345105.db2.gz TUHQNGJHQPARSB-OUCADQQQSA-N 1 1 321.425 2.057 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000525291440 406482387 /nfs/dbraw/zinc/48/23/87/406482387.db2.gz GXJIXBVIBZAAJO-LLVKDONJSA-N 1 1 323.418 2.388 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491751449 406701742 /nfs/dbraw/zinc/70/17/42/406701742.db2.gz SLXKQTACBWDBLC-ALCCZGGFSA-N 1 1 321.352 2.301 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000491915895 406776854 /nfs/dbraw/zinc/77/68/54/406776854.db2.gz QHBHXMUFDSQVHV-QJPJPVNKSA-N 1 1 303.362 2.207 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000491942396 406784685 /nfs/dbraw/zinc/78/46/85/406784685.db2.gz VFKDFRCPQKLJMM-MZMNXDGSSA-N 1 1 303.362 2.207 20 5 DEBDMO COc1cc(C[N@H+](C)[C@@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000131995958 196217166 /nfs/dbraw/zinc/21/71/66/196217166.db2.gz JQEXQUYCWMOZIX-QMMMGPOBSA-N 1 1 320.292 2.017 20 5 DEBDMO COc1cc(C[N@@H+](C)[C@@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000131995958 196217168 /nfs/dbraw/zinc/21/71/68/196217168.db2.gz JQEXQUYCWMOZIX-QMMMGPOBSA-N 1 1 320.292 2.017 20 5 DEBDMO CCOC(=O)c1ccnc(NC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC001348379268 1151150451 /nfs/dbraw/zinc/15/04/51/1151150451.db2.gz RPHUZKGCRMLWFQ-NSHDSACASA-N 1 1 322.365 2.063 20 5 DEBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@@H](C)OC ZINC000291163356 222185055 /nfs/dbraw/zinc/18/50/55/222185055.db2.gz FZPOWUXMENFORZ-GFCCVEGCSA-N 1 1 312.366 2.339 20 5 DEBDMO Cc1[nH+]ccn1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000297565937 227310684 /nfs/dbraw/zinc/31/06/84/227310684.db2.gz OBGSWCLMEZFDRV-UHFFFAOYSA-N 1 1 316.361 2.239 20 5 DEBDMO C[NH+]1CCC(n2ccc(Nc3ncc(F)cc3[N+](=O)[O-])n2)CC1 ZINC000601155615 422419323 /nfs/dbraw/zinc/41/93/23/422419323.db2.gz BUHMHADEUOTNNO-UHFFFAOYSA-N 1 1 320.328 2.336 20 5 DEBDMO CC(C)Oc1nc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000566477302 424910205 /nfs/dbraw/zinc/91/02/05/424910205.db2.gz AXHCNCBKGUPOOX-CHWSQXEVSA-N 1 1 320.393 2.816 20 5 DEBDMO CO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000363670625 269068233 /nfs/dbraw/zinc/06/82/33/269068233.db2.gz FMTJSIASJUGXKV-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000363670625 269068234 /nfs/dbraw/zinc/06/82/34/269068234.db2.gz FMTJSIASJUGXKV-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO COCC[N@H+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000266560118 277225485 /nfs/dbraw/zinc/22/54/85/277225485.db2.gz XBGRVXSYBNGPHA-KGLIPLIRSA-N 1 1 307.394 2.308 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000449337595 279382938 /nfs/dbraw/zinc/38/29/38/279382938.db2.gz QIPFWLKGEQPBMJ-YPMHNXCESA-N 1 1 300.362 2.396 20 5 DEBDMO Cn1cnnc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417322471 279393281 /nfs/dbraw/zinc/39/32/81/279393281.db2.gz NBFDVIBMQOAICB-CQSZACIVSA-N 1 1 301.350 2.281 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000290940596 281260462 /nfs/dbraw/zinc/26/04/62/281260462.db2.gz BTIISHMKSPXQDJ-ZIAGYGMSSA-N 1 1 305.378 2.203 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000269079253 290182269 /nfs/dbraw/zinc/18/22/69/290182269.db2.gz DKWKFDAZYNZWEK-GHMZBOCLSA-N 1 1 317.349 2.052 20 5 DEBDMO C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000573035138 326013392 /nfs/dbraw/zinc/01/33/92/326013392.db2.gz FKZKGWGYNXZJRA-RWMBFGLXSA-N 1 1 305.378 2.249 20 5 DEBDMO C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000573035137 326013496 /nfs/dbraw/zinc/01/34/96/326013496.db2.gz FKZKGWGYNXZJRA-AVGNSLFASA-N 1 1 305.378 2.249 20 5 DEBDMO C[C@@H]1C[N@H+](CCNc2ccnc3c2cccc3[N+](=O)[O-])CCO1 ZINC000574746615 326183032 /nfs/dbraw/zinc/18/30/32/326183032.db2.gz YTIUFHXRMGMVFG-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@@H]1C[N@@H+](CCNc2ccnc3c2cccc3[N+](=O)[O-])CCO1 ZINC000574746615 326183034 /nfs/dbraw/zinc/18/30/34/326183034.db2.gz YTIUFHXRMGMVFG-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[NH+](C)Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1Cl ZINC000337262856 521891458 /nfs/dbraw/zinc/89/14/58/521891458.db2.gz YNWPAFAAWREZSU-UHFFFAOYSA-N 1 1 323.740 2.285 20 5 DEBDMO C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338362143 524250857 /nfs/dbraw/zinc/25/08/57/524250857.db2.gz UCPVCDPEXVXUED-CQSZACIVSA-N 1 1 319.405 2.470 20 5 DEBDMO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000337053164 526760714 /nfs/dbraw/zinc/76/07/14/526760714.db2.gz AFTYZGRGJFBEQJ-ZFWWWQNUSA-N 1 1 318.377 2.021 20 5 DEBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000299292944 527845709 /nfs/dbraw/zinc/84/57/09/527845709.db2.gz HHPURGYNCXIMAP-UHFFFAOYSA-N 1 1 316.361 2.305 20 5 DEBDMO CC(C)[C@]1(CO)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000292985042 527991607 /nfs/dbraw/zinc/99/16/07/527991607.db2.gz HQUPKCNLKFYBRA-DLBZAZTESA-N 1 1 322.405 2.359 20 5 DEBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246743705 535656389 /nfs/dbraw/zinc/65/63/89/535656389.db2.gz GVYUJHKMLYGCDF-CFVMTHIKSA-N 1 1 310.398 2.053 20 5 DEBDMO CCN1CC[NH+](CC(C)(C)Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000450924674 535674226 /nfs/dbraw/zinc/67/42/26/535674226.db2.gz VSRBWPORICDPEQ-UHFFFAOYSA-N 1 1 321.425 2.126 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000248177206 536380026 /nfs/dbraw/zinc/38/00/26/536380026.db2.gz VTVCDMOJLOMJDW-IAQYHMDHSA-N 1 1 321.352 2.290 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892854554 625666716 /nfs/dbraw/zinc/66/67/16/625666716.db2.gz UQLNZUZGQVUMOK-NSHDSACASA-N 1 1 311.382 2.129 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247304377 624001200 /nfs/dbraw/zinc/00/12/00/624001200.db2.gz UXPZKHOFWBTNBR-KGLIPLIRSA-N 1 1 312.366 2.440 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247304377 624001202 /nfs/dbraw/zinc/00/12/02/624001202.db2.gz UXPZKHOFWBTNBR-KGLIPLIRSA-N 1 1 312.366 2.440 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000933165937 624110613 /nfs/dbraw/zinc/11/06/13/624110613.db2.gz PTJPCTUDPDZFHE-VXGBXAGGSA-N 1 1 322.361 2.377 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000933165937 624110614 /nfs/dbraw/zinc/11/06/14/624110614.db2.gz PTJPCTUDPDZFHE-VXGBXAGGSA-N 1 1 322.361 2.377 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1NCCc1cn2c([nH+]1)CCCC2 ZINC000891719464 624558915 /nfs/dbraw/zinc/55/89/15/624558915.db2.gz SZBZJBWDFUYMSA-UHFFFAOYSA-N 1 1 317.349 2.186 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933914167 624655121 /nfs/dbraw/zinc/65/51/21/624655121.db2.gz ZNEPGPWCMMYOIY-ZDUSSCGKSA-N 1 1 310.423 2.317 20 5 DEBDMO COc1c(O)ccc(C[N@H+](C)CCOCC2CC2)c1[N+](=O)[O-] ZINC000892159526 624806628 /nfs/dbraw/zinc/80/66/28/624806628.db2.gz OVAISWIGQWVXLU-UHFFFAOYSA-N 1 1 310.350 2.167 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)CCOCC2CC2)c1[N+](=O)[O-] ZINC000892159526 624806631 /nfs/dbraw/zinc/80/66/31/624806631.db2.gz OVAISWIGQWVXLU-UHFFFAOYSA-N 1 1 310.350 2.167 20 5 DEBDMO CCn1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c(C)n1 ZINC000892939668 625742557 /nfs/dbraw/zinc/74/25/57/625742557.db2.gz ULSANPNHFMIKCD-UHFFFAOYSA-N 1 1 304.350 2.418 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000836633491 650113809 /nfs/dbraw/zinc/11/38/09/650113809.db2.gz MJXDRCJIDXVGAO-JTQLQIEISA-N 1 1 311.769 2.381 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000893410215 633511204 /nfs/dbraw/zinc/51/12/04/633511204.db2.gz YZXIZVGOPUMZSR-WCQYABFASA-N 1 1 324.377 2.292 20 5 DEBDMO C[N@@H+](CCCCNC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000837224234 650176749 /nfs/dbraw/zinc/17/67/49/650176749.db2.gz CLPYPTJYXSKTLN-UHFFFAOYSA-N 1 1 309.341 2.338 20 5 DEBDMO CC1(C(=O)N2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000981216571 635375625 /nfs/dbraw/zinc/37/56/25/635375625.db2.gz RREMBMBGVCKCOM-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO CC1(C(=O)N2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000981216571 635375628 /nfs/dbraw/zinc/37/56/28/635375628.db2.gz RREMBMBGVCKCOM-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO CCOCC[N@H+](CC)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000107668334 635723921 /nfs/dbraw/zinc/72/39/21/635723921.db2.gz HDBRYZVKYFBXIH-UHFFFAOYSA-N 1 1 319.365 2.169 20 5 DEBDMO CCOCC[N@@H+](CC)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000107668334 635723926 /nfs/dbraw/zinc/72/39/26/635723926.db2.gz HDBRYZVKYFBXIH-UHFFFAOYSA-N 1 1 319.365 2.169 20 5 DEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000893938937 636070255 /nfs/dbraw/zinc/07/02/55/636070255.db2.gz GUIVCEPWLNTEPM-CABZTGNLSA-N 1 1 304.375 2.345 20 5 DEBDMO CCO[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CN(C)C ZINC000922758013 636380968 /nfs/dbraw/zinc/38/09/68/636380968.db2.gz ZVFCMLCKJPMECT-SOIVGHGOSA-N 1 1 307.394 2.164 20 5 DEBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC[C@@H]2CO)c1 ZINC000929359761 636977135 /nfs/dbraw/zinc/97/71/35/636977135.db2.gz YDQCYWGEWDSMOV-LLVKDONJSA-N 1 1 315.167 2.314 20 5 DEBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000929359761 636977138 /nfs/dbraw/zinc/97/71/38/636977138.db2.gz YDQCYWGEWDSMOV-LLVKDONJSA-N 1 1 315.167 2.314 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000895100239 637558639 /nfs/dbraw/zinc/55/86/39/637558639.db2.gz SIYJTJZOPNYIGB-AOOOYVTPSA-N 1 1 309.395 2.223 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](C4OCCO4)C3)c2c1 ZINC000895518155 638066036 /nfs/dbraw/zinc/06/60/36/638066036.db2.gz OPIWOEQCUCGXEC-NSHDSACASA-N 1 1 315.329 2.342 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCn2nncc2C1 ZINC000895755203 638182178 /nfs/dbraw/zinc/18/21/78/638182178.db2.gz FEGXLQWHIQJXHA-MDWZMJQESA-N 1 1 313.361 2.496 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000744345890 638211929 /nfs/dbraw/zinc/21/19/29/638211929.db2.gz TYIFNMDTBFFEMN-SNVBAGLBSA-N 1 1 311.769 2.462 20 5 DEBDMO CCc1ccc(C(=O)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000746711187 638371919 /nfs/dbraw/zinc/37/19/19/638371919.db2.gz CBWRSCCFFVROLT-GFCCVEGCSA-N 1 1 305.378 2.371 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1C ZINC000896138037 638379369 /nfs/dbraw/zinc/37/93/69/638379369.db2.gz LPKNPKKYVPEXRP-NSHDSACASA-N 1 1 305.378 2.424 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000896267631 638442833 /nfs/dbraw/zinc/44/28/33/638442833.db2.gz MPBAIYYELBOJIH-ZDUSSCGKSA-N 1 1 305.378 2.283 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCCNC3)CC2)cc1 ZINC000841091489 650428591 /nfs/dbraw/zinc/42/85/91/650428591.db2.gz YYUYFCTYLJYIBZ-OAHLLOKOSA-N 1 1 318.421 2.295 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000841091489 650428594 /nfs/dbraw/zinc/42/85/94/650428594.db2.gz YYUYFCTYLJYIBZ-OAHLLOKOSA-N 1 1 318.421 2.295 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000749682441 638670230 /nfs/dbraw/zinc/67/02/30/638670230.db2.gz IUZIREBRBXFALJ-HOTGVXAUSA-N 1 1 316.361 2.162 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000749682443 638670629 /nfs/dbraw/zinc/67/06/29/638670629.db2.gz IUZIREBRBXFALJ-JKSUJKDBSA-N 1 1 316.361 2.162 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000749800256 638682621 /nfs/dbraw/zinc/68/26/21/638682621.db2.gz RAOFNHSSXNATCH-UONOGXRCSA-N 1 1 316.361 2.260 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000749800622 638683090 /nfs/dbraw/zinc/68/30/90/638683090.db2.gz RZLOJBWECFRSGY-QWHCGFSZSA-N 1 1 316.361 2.260 20 5 DEBDMO Cc1nn(C[NH+]2C[C@@H](C)S[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749961982 638698376 /nfs/dbraw/zinc/69/83/76/638698376.db2.gz VGHGIMOWZAOARU-NXEZZACHSA-N 1 1 321.406 2.431 20 5 DEBDMO C[C@H]([N@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1(C)CC1 ZINC000753112120 639259462 /nfs/dbraw/zinc/25/94/62/639259462.db2.gz RRTLNTPKSCWKND-JTQLQIEISA-N 1 1 317.345 2.269 20 5 DEBDMO C[C@H]([N@@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1(C)CC1 ZINC000753112120 639259464 /nfs/dbraw/zinc/25/94/64/639259464.db2.gz RRTLNTPKSCWKND-JTQLQIEISA-N 1 1 317.345 2.269 20 5 DEBDMO Cc1cn(C[N@H+]2CC[C@@H](C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728709685 639293018 /nfs/dbraw/zinc/29/30/18/639293018.db2.gz WJTJALYMYSCXSI-GFCCVEGCSA-N 1 1 316.361 2.155 20 5 DEBDMO Cc1cn(C[N@@H+]2CC[C@@H](C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728709685 639293021 /nfs/dbraw/zinc/29/30/21/639293021.db2.gz WJTJALYMYSCXSI-GFCCVEGCSA-N 1 1 316.361 2.155 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000753454896 639297608 /nfs/dbraw/zinc/29/76/08/639297608.db2.gz ZWRLYPCYIMVDFS-UHFFFAOYSA-N 1 1 309.341 2.210 20 5 DEBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000755148939 639522989 /nfs/dbraw/zinc/52/29/89/639522989.db2.gz RRUZZMRQPOUPDF-HCYCVZQXSA-N 1 1 315.373 2.351 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000755441551 639551357 /nfs/dbraw/zinc/55/13/57/639551357.db2.gz YTDGBACFGYXGCN-CYBMUJFWSA-N 1 1 305.378 2.128 20 5 DEBDMO C[C@@H](NC(=O)N(C)C[C@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925232530 639720013 /nfs/dbraw/zinc/72/00/13/639720013.db2.gz MUCKUPNMMATVOT-OLZOCXBDSA-N 1 1 320.393 2.249 20 5 DEBDMO COCCC[N@H+](CCOC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000054365916 639737088 /nfs/dbraw/zinc/73/70/88/639737088.db2.gz NRFKDMSOCXYQNU-UHFFFAOYSA-N 1 1 300.330 2.219 20 5 DEBDMO COCCC[N@@H+](CCOC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000054365916 639737093 /nfs/dbraw/zinc/73/70/93/639737093.db2.gz NRFKDMSOCXYQNU-UHFFFAOYSA-N 1 1 300.330 2.219 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000759914862 640137100 /nfs/dbraw/zinc/13/71/00/640137100.db2.gz LYLYVOCIXUDFDA-OAHLLOKOSA-N 1 1 306.362 2.131 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])CC[C@@H]21 ZINC000765547022 640792523 /nfs/dbraw/zinc/79/25/23/640792523.db2.gz XZTPZSRFYJDEBF-STQMWFEESA-N 1 1 315.377 2.163 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000765633016 640803414 /nfs/dbraw/zinc/80/34/14/640803414.db2.gz GRPWFDHROHBFOR-RYUDHWBXSA-N 1 1 303.366 2.161 20 5 DEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000765859033 640824387 /nfs/dbraw/zinc/82/43/87/640824387.db2.gz LKPDYNAKFCXQSV-HIFRSBDPSA-N 1 1 319.405 2.326 20 5 DEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000765859033 640824389 /nfs/dbraw/zinc/82/43/89/640824389.db2.gz LKPDYNAKFCXQSV-HIFRSBDPSA-N 1 1 319.405 2.326 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000897679129 640900740 /nfs/dbraw/zinc/90/07/40/640900740.db2.gz HUOOMGMNQMYEEP-UFBFGSQYSA-N 1 1 304.268 2.426 20 5 DEBDMO COc1nn(C)cc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000898022819 641003268 /nfs/dbraw/zinc/00/32/68/641003268.db2.gz MUPQEXVMVLVOEU-UHFFFAOYSA-N 1 1 304.350 2.244 20 5 DEBDMO COc1nn(C)cc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000898025967 641004089 /nfs/dbraw/zinc/00/40/89/641004089.db2.gz SKDTWNZJFQOHGZ-CYBMUJFWSA-N 1 1 302.334 2.114 20 5 DEBDMO CC[N@H+](CC(=O)NC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000768304220 641066861 /nfs/dbraw/zinc/06/68/61/641066861.db2.gz ZHTVIPMWHFNXDS-UHFFFAOYSA-N 1 1 317.345 2.423 20 5 DEBDMO CC[N@@H+](CC(=O)NC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000768304220 641066868 /nfs/dbraw/zinc/06/68/68/641066868.db2.gz ZHTVIPMWHFNXDS-UHFFFAOYSA-N 1 1 317.345 2.423 20 5 DEBDMO CCC[C@@]1(CO)CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000769912190 641308549 /nfs/dbraw/zinc/30/85/49/641308549.db2.gz CIJDJWNZDQRZSR-CVEARBPZSA-N 1 1 308.378 2.255 20 5 DEBDMO C[N@H+]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000769996509 641318635 /nfs/dbraw/zinc/31/86/35/641318635.db2.gz DAFZKSULTBQTGQ-SNVBAGLBSA-N 1 1 312.757 2.464 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)CCOc1cccc([N+](=O)[O-])c1 ZINC000771916218 641570710 /nfs/dbraw/zinc/57/07/10/641570710.db2.gz VGAQRQHODFAVRY-UHFFFAOYSA-N 1 1 319.317 2.112 20 5 DEBDMO CCOC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776280050 642152874 /nfs/dbraw/zinc/15/28/74/642152874.db2.gz WHGJGYYLUCENAO-XJKSGUPXSA-N 1 1 308.378 2.377 20 5 DEBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000776582937 642188239 /nfs/dbraw/zinc/18/82/39/642188239.db2.gz WVHPPMPZBWOFSB-SJORKVTESA-N 1 1 316.357 2.294 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590593 642189436 /nfs/dbraw/zinc/18/94/36/642189436.db2.gz FAQVKZXSGGHPQR-YOEHRIQHSA-N 1 1 321.421 2.292 20 5 DEBDMO COC(=O)C1([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000776590881 642189485 /nfs/dbraw/zinc/18/94/85/642189485.db2.gz JXMJPYPNGQSHRV-AWEZNQCLSA-N 1 1 322.361 2.046 20 5 DEBDMO COC(=O)C1([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000776590881 642189486 /nfs/dbraw/zinc/18/94/86/642189486.db2.gz JXMJPYPNGQSHRV-AWEZNQCLSA-N 1 1 322.361 2.046 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCOCC23CCCC3)cc1 ZINC000776595790 642190521 /nfs/dbraw/zinc/19/05/21/642190521.db2.gz AMISIPFWBRZFAW-HNNXBMFYSA-N 1 1 306.362 2.273 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOCC23CCCC3)cc1 ZINC000776595790 642190524 /nfs/dbraw/zinc/19/05/24/642190524.db2.gz AMISIPFWBRZFAW-HNNXBMFYSA-N 1 1 306.362 2.273 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000778228447 642356114 /nfs/dbraw/zinc/35/61/14/642356114.db2.gz JNOISGSHFHUHNA-KBPBESRZSA-N 1 1 302.334 2.188 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000778228447 642356121 /nfs/dbraw/zinc/35/61/21/642356121.db2.gz JNOISGSHFHUHNA-KBPBESRZSA-N 1 1 302.334 2.188 20 5 DEBDMO O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901218748 642598955 /nfs/dbraw/zinc/59/89/55/642598955.db2.gz VFWNKDAGMCRDDJ-MFKMUULPSA-N 1 1 305.334 2.256 20 5 DEBDMO C[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903198857 643283385 /nfs/dbraw/zinc/28/33/85/643283385.db2.gz QFOXTYKFEOEJDT-LLVKDONJSA-N 1 1 315.377 2.489 20 5 DEBDMO COc1nn(C)cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C 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MYFZOZFDASKITQ-MJVIPROJSA-N 1 1 306.366 2.048 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000915212231 647495730 /nfs/dbraw/zinc/49/57/30/647495730.db2.gz ICCCOJWRPWOLDY-ZDUSSCGKSA-N 1 1 309.341 2.035 20 5 DEBDMO CC[C@@H](C[NH+]1CCCC1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819079430 647579516 /nfs/dbraw/zinc/57/95/16/647579516.db2.gz UUFVRUIIFQSBHO-HOCLYGCPSA-N 1 1 307.394 2.092 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000820273417 647816132 /nfs/dbraw/zinc/81/61/32/647816132.db2.gz UJTUVKFQEXMANP-MFKMUULPSA-N 1 1 321.402 2.093 20 5 DEBDMO C[N@H+]1CC[C@H](CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000820770377 647913046 /nfs/dbraw/zinc/91/30/46/647913046.db2.gz RNUOTMIEFRVXFY-SNVBAGLBSA-N 1 1 311.769 2.206 20 5 DEBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc([N+](=O)[O-])nc2)cn1 ZINC000917092928 647967478 /nfs/dbraw/zinc/96/74/78/647967478.db2.gz HIOSPBGVCNWPID-UHFFFAOYSA-N 1 1 310.317 2.491 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000822865784 648306775 /nfs/dbraw/zinc/30/67/75/648306775.db2.gz GETBMXGPFOCBLA-GFCCVEGCSA-N 1 1 305.378 2.378 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000822865784 648306777 /nfs/dbraw/zinc/30/67/77/648306777.db2.gz GETBMXGPFOCBLA-GFCCVEGCSA-N 1 1 305.378 2.378 20 5 DEBDMO C[C@H](C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000827266341 649004591 /nfs/dbraw/zinc/00/45/91/649004591.db2.gz KBBZRLNHJUFMSZ-BJJXKVORSA-N 1 1 317.389 2.251 20 5 DEBDMO COC(=O)N(C)CC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000827334312 649016533 /nfs/dbraw/zinc/01/65/33/649016533.db2.gz BERNLHFEHONWRR-SOFGYWHQSA-N 1 1 307.350 2.238 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827374304 649025785 /nfs/dbraw/zinc/02/57/85/649025785.db2.gz MXNCJBABMHQKQU-MFKMUULPSA-N 1 1 323.780 2.414 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000831778981 649641931 /nfs/dbraw/zinc/64/19/31/649641931.db2.gz ZLTWHPCFBLLKDX-LSDHHAIUSA-N 1 1 308.403 2.456 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000832295746 649693547 /nfs/dbraw/zinc/69/35/47/649693547.db2.gz HBXNEZJLRSDJSJ-NSHDSACASA-N 1 1 309.341 2.337 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000845821019 651286438 /nfs/dbraw/zinc/28/64/38/651286438.db2.gz SBJFWMSQPJUUSP-MNOVXSKESA-N 1 1 308.334 2.100 20 5 DEBDMO CNc1c(C(=O)OCC[C@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000847821922 651420820 /nfs/dbraw/zinc/42/08/20/651420820.db2.gz PVYCSSGDCNTZTP-LLVKDONJSA-N 1 1 307.350 2.135 20 5 DEBDMO C[N@H+]1CC[C@H](CCOC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000847828152 651421830 /nfs/dbraw/zinc/42/18/30/651421830.db2.gz MSUJDKVBYKXMDA-CYBMUJFWSA-N 1 1 321.377 2.282 20 5 DEBDMO C[C@@H]1CC[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848476348 651461445 /nfs/dbraw/zinc/46/14/45/651461445.db2.gz ADQINRMSVUKBDI-IUODEOHRSA-N 1 1 303.362 2.210 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)O[NH+]=C(N)[C@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000848518855 651465885 /nfs/dbraw/zinc/46/58/85/651465885.db2.gz LYEJZZPWQBCSID-MIMYLULJSA-N 1 1 320.349 2.385 20 5 DEBDMO CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C)C1 ZINC000855364221 651684136 /nfs/dbraw/zinc/68/41/36/651684136.db2.gz ZJRDOTKDRLKIAH-AJHXJQRKSA-N 1 1 303.362 2.161 20 5 DEBDMO CCON(CC)C(=O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000858219865 652281966 /nfs/dbraw/zinc/28/19/66/652281966.db2.gz CWOKVOUABMSBIM-UHFFFAOYSA-N 1 1 315.757 2.138 20 5 DEBDMO O=C1CC[C@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000852134868 652349422 /nfs/dbraw/zinc/34/94/22/652349422.db2.gz IOZZGLQJSHCXIH-UKRRQHHQSA-N 1 1 304.346 2.480 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000853584590 652573034 /nfs/dbraw/zinc/57/30/34/652573034.db2.gz KVMRCLVEXQWPLT-HNNXBMFYSA-N 1 1 315.377 2.268 20 5 DEBDMO Cc1nn(C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)cc1[N+](=O)[O-] 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CCc1ncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000929990016 694066518 /nfs/dbraw/zinc/06/65/18/694066518.db2.gz VCXQHSLOFDYGJY-NSHDSACASA-N 1 1 317.349 2.227 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000865266874 687163083 /nfs/dbraw/zinc/16/30/83/687163083.db2.gz CKQAACJTYKWSHZ-FZMZJTMJSA-N 1 1 320.418 2.318 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865540768 687252509 /nfs/dbraw/zinc/25/25/09/687252509.db2.gz YVGOPNLIZGKUQZ-NSHDSACASA-N 1 1 311.357 2.004 20 5 DEBDMO CC(C)(O)C[N@@H+]1CC[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000865656099 687292030 /nfs/dbraw/zinc/29/20/30/687292030.db2.gz SCHNAZGITFLJLS-PKYBCLHXSA-N 1 1 319.405 2.043 20 5 DEBDMO CC(C)(O)C[N@H+]1CC[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000865656099 687292033 /nfs/dbraw/zinc/29/20/33/687292033.db2.gz SCHNAZGITFLJLS-PKYBCLHXSA-N 1 1 319.405 2.043 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c(C(F)F)c1 ZINC000865675598 687297972 /nfs/dbraw/zinc/29/79/72/687297972.db2.gz BOCMSIDKJYINBY-NSHDSACASA-N 1 1 313.304 2.053 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c(C(F)F)c1 ZINC000865675598 687297974 /nfs/dbraw/zinc/29/79/74/687297974.db2.gz BOCMSIDKJYINBY-NSHDSACASA-N 1 1 313.304 2.053 20 5 DEBDMO COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1 ZINC000865905585 687374368 /nfs/dbraw/zinc/37/43/68/687374368.db2.gz PENFKZHKAWWDHM-WDEREUQCSA-N 1 1 309.341 2.130 20 5 DEBDMO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CCC[N@H+](CCF)C3)c2c1 ZINC000865928447 687382240 /nfs/dbraw/zinc/38/22/40/687382240.db2.gz YEGRVTIGFYZCKO-NSHDSACASA-N 1 1 319.340 2.384 20 5 DEBDMO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CCC[N@@H+](CCF)C3)c2c1 ZINC000865928447 687382244 /nfs/dbraw/zinc/38/22/44/687382244.db2.gz YEGRVTIGFYZCKO-NSHDSACASA-N 1 1 319.340 2.384 20 5 DEBDMO C[N@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CCC1(C)C ZINC000866113050 687450790 /nfs/dbraw/zinc/45/07/90/687450790.db2.gz QPAOXPBSHKVBLA-UHFFFAOYSA-N 1 1 315.377 2.459 20 5 DEBDMO C[N@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CCC1(C)C ZINC000866114816 687452002 /nfs/dbraw/zinc/45/20/02/687452002.db2.gz QHBBOGPNKIRWOW-UHFFFAOYSA-N 1 1 303.366 2.163 20 5 DEBDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000866194684 687487247 /nfs/dbraw/zinc/48/72/47/687487247.db2.gz JNBFZLMJNALUIL-CYBMUJFWSA-N 1 1 324.344 2.236 20 5 DEBDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000866194684 687487248 /nfs/dbraw/zinc/48/72/48/687487248.db2.gz JNBFZLMJNALUIL-CYBMUJFWSA-N 1 1 324.344 2.236 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866412997 687563790 /nfs/dbraw/zinc/56/37/90/687563790.db2.gz DCNYBUKZUVVELN-KGLIPLIRSA-N 1 1 321.421 2.399 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866412997 687563792 /nfs/dbraw/zinc/56/37/92/687563792.db2.gz DCNYBUKZUVVELN-KGLIPLIRSA-N 1 1 321.421 2.399 20 5 DEBDMO C[C@@]([NH3+])(C(=O)N1CCC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000867952702 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TXUOGYYGGBNBRJ-BZPMIXESSA-N 1 1 305.378 2.378 20 5 DEBDMO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000930918613 694272897 /nfs/dbraw/zinc/27/28/97/694272897.db2.gz OXRATVOBVXXZHN-TYNCELHUSA-N 1 1 305.378 2.112 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000931058022 694306096 /nfs/dbraw/zinc/30/60/96/694306096.db2.gz WQVARUNYMXKMRH-NEPJUHHUSA-N 1 1 306.366 2.426 20 5 DEBDMO CCOc1cc(C[N@@H+]2CCNC(=O)CC2(C)C)ccc1[N+](=O)[O-] ZINC000931204665 694339923 /nfs/dbraw/zinc/33/99/23/694339923.db2.gz OWAGQGAYOUWMOM-UHFFFAOYSA-N 1 1 321.377 2.094 20 5 DEBDMO CCOc1cc(C[N@H+]2CCNC(=O)CC2(C)C)ccc1[N+](=O)[O-] ZINC000931204665 694339924 /nfs/dbraw/zinc/33/99/24/694339924.db2.gz OWAGQGAYOUWMOM-UHFFFAOYSA-N 1 1 321.377 2.094 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000877424802 690108374 /nfs/dbraw/zinc/10/83/74/690108374.db2.gz PRJZOYFVWFWNBJ-CYBMUJFWSA-N 1 1 301.350 2.250 20 5 DEBDMO Cn1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c([N+](=O)[O-])n1 ZINC000877508539 690134934 /nfs/dbraw/zinc/13/49/34/690134934.db2.gz ZLXORABSGPOWIM-KOLCDFICSA-N 1 1 319.192 2.344 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]21 ZINC000877742365 690211863 /nfs/dbraw/zinc/21/18/63/690211863.db2.gz PAPVDFSRLUGORN-FZMZJTMJSA-N 1 1 316.361 2.262 20 5 DEBDMO C[N@H+](CCN1CC2(C1)CCOCC2)Cc1cccc([N+](=O)[O-])c1 ZINC000877765895 690219412 /nfs/dbraw/zinc/21/94/12/690219412.db2.gz SPMXGBHTCZITLW-UHFFFAOYSA-N 1 1 319.405 2.139 20 5 DEBDMO C[N@@H+](CCN1CC2(C1)CCOCC2)Cc1cccc([N+](=O)[O-])c1 ZINC000877765895 690219414 /nfs/dbraw/zinc/21/94/14/690219414.db2.gz SPMXGBHTCZITLW-UHFFFAOYSA-N 1 1 319.405 2.139 20 5 DEBDMO COc1ccc(CN2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000931309052 694363263 /nfs/dbraw/zinc/36/32/63/694363263.db2.gz VTDXQNYGWKNFHT-CALCHBBNSA-N 1 1 319.405 2.377 20 5 DEBDMO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)[C@@H](O)c1ccccc1 ZINC000878633440 690460667 /nfs/dbraw/zinc/46/06/67/690460667.db2.gz ODOLQIXNSBRIOK-IUODEOHRSA-N 1 1 318.377 2.272 20 5 DEBDMO CC(C)(O)C[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000878678890 690474387 /nfs/dbraw/zinc/47/43/87/690474387.db2.gz NLMUDRIUOUEKDW-GOEBONIOSA-N 1 1 322.405 2.296 20 5 DEBDMO CC(C)(O)C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000878678889 690474424 /nfs/dbraw/zinc/47/44/24/690474424.db2.gz NLMUDRIUOUEKDW-GDBMZVCRSA-N 1 1 322.405 2.296 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000879352099 690625797 /nfs/dbraw/zinc/62/57/97/690625797.db2.gz KINIRKIHKIGEFK-LBPRGKRZSA-N 1 1 306.366 2.427 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000879464387 690647046 /nfs/dbraw/zinc/64/70/46/690647046.db2.gz JPDZWFKZDXYFBJ-LBPRGKRZSA-N 1 1 322.365 2.209 20 5 DEBDMO NC(=O)[C@H](C1CC1)[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000879493600 690653930 /nfs/dbraw/zinc/65/39/30/690653930.db2.gz WMFCXDHHQNVJBF-HNNXBMFYSA-N 1 1 303.362 2.071 20 5 DEBDMO COc1cc(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000879579787 690680148 /nfs/dbraw/zinc/68/01/48/690680148.db2.gz BBWHGDUSEZRUQF-RISCZKNCSA-N 1 1 323.368 2.269 20 5 DEBDMO COCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000879710528 690713387 /nfs/dbraw/zinc/71/33/87/690713387.db2.gz AUPROYXNCFXMAK-UHFFFAOYSA-N 1 1 312.341 2.361 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880133057 690811823 /nfs/dbraw/zinc/81/18/23/690811823.db2.gz ZFIFIWZSDCGMSJ-CABCVRRESA-N 1 1 305.378 2.272 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2CCOc1ccccc1[N+](=O)[O-] ZINC000880134509 690814584 /nfs/dbraw/zinc/81/45/84/690814584.db2.gz SSCNXPKMVHQIDR-KBPBESRZSA-N 1 1 305.378 2.142 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880146296 690823315 /nfs/dbraw/zinc/82/33/15/690823315.db2.gz SXFRSKAIPRRCBU-NEPJUHHUSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880146296 690823320 /nfs/dbraw/zinc/82/33/20/690823320.db2.gz SXFRSKAIPRRCBU-NEPJUHHUSA-N 1 1 321.377 2.015 20 5 DEBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880429432 690896902 /nfs/dbraw/zinc/89/69/02/690896902.db2.gz WGVZPUYCWCGVLB-GXTWGEPZSA-N 1 1 314.769 2.484 20 5 DEBDMO Cc1ccc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000880579370 690932805 /nfs/dbraw/zinc/93/28/05/690932805.db2.gz QXSSEKBUCJVHNJ-HNNXBMFYSA-N 1 1 320.389 2.267 20 5 DEBDMO CC[NH+](CC)Cc1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000881213334 691050745 /nfs/dbraw/zinc/05/07/45/691050745.db2.gz ZNIJRFKGSLUTRB-UHFFFAOYSA-N 1 1 303.366 2.385 20 5 DEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000882490812 691295870 /nfs/dbraw/zinc/29/58/70/691295870.db2.gz WTJYLYILEKSZQZ-GOEBONIOSA-N 1 1 319.405 2.374 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000882492419 691296495 /nfs/dbraw/zinc/29/64/95/691296495.db2.gz RUNURJYOBNZVLI-JTQLQIEISA-N 1 1 309.391 2.141 20 5 DEBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CC2=CCCCC2)CC1 ZINC001045436431 691980799 /nfs/dbraw/zinc/98/07/99/691980799.db2.gz RFSRXEARRJYJAA-HUUCEWRRSA-N 1 1 321.421 2.123 20 5 DEBDMO Cc1nc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)no1 ZINC000931947233 694512227 /nfs/dbraw/zinc/51/22/27/694512227.db2.gz VFYGGTFPRFWUPM-NSHDSACASA-N 1 1 306.297 2.415 20 5 DEBDMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)no1 ZINC000931947233 694512231 /nfs/dbraw/zinc/51/22/31/694512231.db2.gz VFYGGTFPRFWUPM-NSHDSACASA-N 1 1 306.297 2.415 20 5 DEBDMO Cc1nc([C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000931948840 694513258 /nfs/dbraw/zinc/51/32/58/694513258.db2.gz LAQKYSXQIVYPQZ-CYBMUJFWSA-N 1 1 302.334 2.318 20 5 DEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCF)c([N+](=O)[O-])c1 ZINC000887140248 692290747 /nfs/dbraw/zinc/29/07/47/692290747.db2.gz WRMILLFJHXHDAY-JTQLQIEISA-N 1 1 313.329 2.222 20 5 DEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCF)c([N+](=O)[O-])c1 ZINC000887140248 692290750 /nfs/dbraw/zinc/29/07/50/692290750.db2.gz WRMILLFJHXHDAY-JTQLQIEISA-N 1 1 313.329 2.222 20 5 DEBDMO CNc1ccc(C(=O)NCC[N@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000890081411 692857876 /nfs/dbraw/zinc/85/78/76/692857876.db2.gz HJYKBXZFTWDYJS-UHFFFAOYSA-N 1 1 320.393 2.098 20 5 DEBDMO COc1c(O)ccc(C[NH2+][C@H]2CCCC[C@H]2N(C)C)c1[N+](=O)[O-] ZINC001333669066 1150076566 /nfs/dbraw/zinc/07/65/66/1150076566.db2.gz USXAXXKKXJNTPK-QWHCGFSZSA-N 1 1 323.393 2.271 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001353394979 1151828164 /nfs/dbraw/zinc/82/81/64/1151828164.db2.gz KVOVEAKHHCGIIM-JTQLQIEISA-N 1 1 310.329 2.197 20 5 DEBDMO C[C@@]([NH3+])(C(=O)N1C[C@@H]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001355487455 1152015175 /nfs/dbraw/zinc/01/51/75/1152015175.db2.gz DCTNDSFEMYAKLG-OZVIIMIRSA-N 1 1 303.362 2.027 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC001347603282 1151082706 /nfs/dbraw/zinc/08/27/06/1151082706.db2.gz RQCTYPZUSNMRBT-TVYUQYBPSA-N 1 1 323.780 2.318 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001164632244 719190235 /nfs/dbraw/zinc/19/02/35/719190235.db2.gz DQDPTGHNMVOJOA-QWRGUYRKSA-N 1 1 301.350 2.067 20 5 DEBDMO CCC[N@@H+](C)CC(=O)N(CC)CCNc1ccc([N+](=O)[O-])cc1 ZINC001106809498 782954502 /nfs/dbraw/zinc/95/45/02/782954502.db2.gz VFUZHMAHDANVQF-UHFFFAOYSA-N 1 1 322.409 2.197 20 5 DEBDMO CC(C)Oc1nc(N2CCc3[nH+]ccn3CC2)ccc1[N+](=O)[O-] ZINC001167181323 776753261 /nfs/dbraw/zinc/75/32/61/776753261.db2.gz ZPLKFXAZGPSHCM-UHFFFAOYSA-N 1 1 317.349 2.036 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(N2CCc3[nH+]ccn3CC2)nc1Cl ZINC001167182859 776754887 /nfs/dbraw/zinc/75/48/87/776754887.db2.gz YUJMUEJYHOSTKD-UHFFFAOYSA-N 1 1 307.741 2.211 20 5 DEBDMO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OCc1ccccc1 ZINC001168974628 784993565 /nfs/dbraw/zinc/99/35/65/784993565.db2.gz RKOMPMVEKSMOII-AEGPPILISA-N 1 1 306.362 2.153 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCN(c3ccc(F)cn3)CC2)C1 ZINC001169007661 784999897 /nfs/dbraw/zinc/99/98/97/784999897.db2.gz OZXVGYWVJTWMIA-UKRRQHHQSA-N 1 1 322.384 2.178 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)C1 ZINC001169011042 785003498 /nfs/dbraw/zinc/00/34/98/785003498.db2.gz HMTYSNHNHLKDKZ-WOPDTQHZSA-N 1 1 310.316 2.211 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3cc4c(cc3C2)OCO4)C1 ZINC001169010966 785003830 /nfs/dbraw/zinc/00/38/30/785003830.db2.gz GSESTMKSLJGUAP-SMDDNHRTSA-N 1 1 304.346 2.219 20 5 DEBDMO CC(C)C(=O)N1CCC[C@]12CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169024461 785018580 /nfs/dbraw/zinc/01/85/80/785018580.db2.gz HFAZMHWTXADZIB-BFYDXBDKSA-N 1 1 323.437 2.155 20 5 DEBDMO Cc1cc(O[C@@H]2CCC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)ncn1 ZINC001169057918 785025238 /nfs/dbraw/zinc/02/52/38/785025238.db2.gz YXKZPTXVJYHZMZ-SOUVJXGZSA-N 1 1 320.393 2.074 20 5 DEBDMO Cc1cc(Cl)nc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC001157265338 786218146 /nfs/dbraw/zinc/21/81/46/786218146.db2.gz JHLOQGSEWOUHAE-QWRGUYRKSA-N 1 1 310.785 2.482 20 5 DEBDMO COc1ccc(C[C@@H](C)[NH2+]Cc2ncc(F)cn2)c([N+](=O)[O-])c1 ZINC001170294835 786891444 /nfs/dbraw/zinc/89/14/44/786891444.db2.gz DCISLFDTIUCWPB-SNVBAGLBSA-N 1 1 320.324 2.253 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170328765 786910338 /nfs/dbraw/zinc/91/03/38/786910338.db2.gz MGFIBAQPJNHVAX-BZPMIXESSA-N 1 1 308.378 2.380 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170329380 786911337 /nfs/dbraw/zinc/91/13/37/786911337.db2.gz PTVXRWUJTMHTGM-GXTWGEPZSA-N 1 1 308.378 2.381 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001137492157 788370849 /nfs/dbraw/zinc/37/08/49/788370849.db2.gz MBTAQMJSCBHPDT-MNOVXSKESA-N 1 1 321.352 2.397 20 5 DEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001145004654 791173829 /nfs/dbraw/zinc/17/38/29/791173829.db2.gz OTOKFOUOSKBVRF-ZDUSSCGKSA-N 1 1 320.393 2.293 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H]3COC[C@@H]3C1)CC2 ZINC001172903699 793522763 /nfs/dbraw/zinc/52/27/63/793522763.db2.gz IRNNGKQEPNCXDM-OWCLPIDISA-N 1 1 302.374 2.420 20 5 DEBDMO COCC1C[NH+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173183630 793622302 /nfs/dbraw/zinc/62/23/02/793622302.db2.gz ILMRBNCBZTZAOE-SNVBAGLBSA-N 1 1 312.341 2.252 20 5 DEBDMO COC(=O)[C@]1(F)CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173224752 793641460 /nfs/dbraw/zinc/64/14/60/793641460.db2.gz GZKYCXYIJDVSFF-ABAIWWIYSA-N 1 1 310.325 2.113 20 5 DEBDMO COC(=O)[C@]1(F)CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173224752 793641462 /nfs/dbraw/zinc/64/14/62/793641462.db2.gz GZKYCXYIJDVSFF-ABAIWWIYSA-N 1 1 310.325 2.113 20 5 DEBDMO CC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232840 793646158 /nfs/dbraw/zinc/64/61/58/793646158.db2.gz UBXXUWQLWPJALF-GUYCJALGSA-N 1 1 319.405 2.469 20 5 DEBDMO Nc1nnc([C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)o1 ZINC001174964319 794113291 /nfs/dbraw/zinc/11/32/91/794113291.db2.gz FLXQKSVQIYQAAW-VIFPVBQESA-N 1 1 321.312 2.079 20 5 DEBDMO Nc1nnc([C@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)o1 ZINC001174964319 794113295 /nfs/dbraw/zinc/11/32/95/794113295.db2.gz FLXQKSVQIYQAAW-VIFPVBQESA-N 1 1 321.312 2.079 20 5 DEBDMO Cn1cc([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC001176880261 794520817 /nfs/dbraw/zinc/52/08/17/794520817.db2.gz UEXMZIJAMAUVTM-LBPRGKRZSA-N 1 1 301.350 2.103 20 5 DEBDMO CCc1[nH+]ccn1CCNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001187615150 796556212 /nfs/dbraw/zinc/55/62/12/796556212.db2.gz HUKSRNBUKUUWJR-UHFFFAOYSA-N 1 1 320.349 2.483 20 5 DEBDMO Cc1[nH+]ccn1CCNc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001156009759 797903598 /nfs/dbraw/zinc/90/35/98/797903598.db2.gz BDRKIJSSWLICDB-QPJJXVBHSA-N 1 1 316.365 2.139 20 5 DEBDMO C[NH+](C)/C=C/c1cc(NCC2(CO)CCC2)ncc1[N+](=O)[O-] ZINC001156270462 797962231 /nfs/dbraw/zinc/96/22/31/797962231.db2.gz COSKVSGXOQHUQD-QPJJXVBHSA-N 1 1 306.366 2.097 20 5 DEBDMO C[N@H+]1CC[C@H](Nc2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001156580251 798035012 /nfs/dbraw/zinc/03/50/12/798035012.db2.gz IYKBDDHHPSGHGN-QMMMGPOBSA-N 1 1 307.741 2.307 20 5 DEBDMO Nc1nnc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)o1 ZINC001196526552 798068757 /nfs/dbraw/zinc/06/87/57/798068757.db2.gz PEFSYLRZJWVENY-SNVBAGLBSA-N 1 1 321.312 2.079 20 5 DEBDMO Nc1nnc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)o1 ZINC001196526552 798068764 /nfs/dbraw/zinc/06/87/64/798068764.db2.gz PEFSYLRZJWVENY-SNVBAGLBSA-N 1 1 321.312 2.079 20 5 DEBDMO CCOc1nc(N2CC[N@@H+](CC)CC2(C)C)ccc1[N+](=O)[O-] ZINC001158562065 798429792 /nfs/dbraw/zinc/42/97/92/798429792.db2.gz ZIXMXHGESLSDOI-UHFFFAOYSA-N 1 1 308.382 2.309 20 5 DEBDMO C[NH+]1CC2(CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001158863804 798480937 /nfs/dbraw/zinc/48/09/37/798480937.db2.gz GUZIAUKDAQBAIJ-UHFFFAOYSA-N 1 1 303.149 2.048 20 5 DEBDMO COc1cnc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001160469209 798692770 /nfs/dbraw/zinc/69/27/70/798692770.db2.gz RJGZGPZGXJAECB-CNDDSTCGSA-N 1 1 306.366 2.426 20 5 DEBDMO CCOC(=O)c1cc(NCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC001163929558 799458518 /nfs/dbraw/zinc/45/85/18/799458518.db2.gz QJBYERKEDPQTJU-UHFFFAOYSA-N 1 1 318.333 2.389 20 5 DEBDMO CCOC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000932646234 799876246 /nfs/dbraw/zinc/87/62/46/799876246.db2.gz XWZBUHYDYFSHPD-LBPRGKRZSA-N 1 1 322.361 2.379 20 5 DEBDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000932646234 799876255 /nfs/dbraw/zinc/87/62/55/799876255.db2.gz XWZBUHYDYFSHPD-LBPRGKRZSA-N 1 1 322.361 2.379 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933089353 800011206 /nfs/dbraw/zinc/01/12/06/800011206.db2.gz QXYKWVKHPYHFOP-HNNXBMFYSA-N 1 1 322.409 2.238 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000933217551 800043233 /nfs/dbraw/zinc/04/32/33/800043233.db2.gz LHGASTIDUYBPHN-OAHLLOKOSA-N 1 1 303.362 2.357 20 5 DEBDMO C[N@H+]1C[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933733639 800174079 /nfs/dbraw/zinc/17/40/79/800174079.db2.gz GXNOIOCWVZXNNO-PBHICJAKSA-N 1 1 319.405 2.247 20 5 DEBDMO CN1C[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933733639 800174099 /nfs/dbraw/zinc/17/40/99/800174099.db2.gz GXNOIOCWVZXNNO-PBHICJAKSA-N 1 1 319.405 2.247 20 5 DEBDMO CN1C[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933733639 800174103 /nfs/dbraw/zinc/17/41/03/800174103.db2.gz GXNOIOCWVZXNNO-PBHICJAKSA-N 1 1 319.405 2.247 20 5 DEBDMO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000934107631 800261213 /nfs/dbraw/zinc/26/12/13/800261213.db2.gz XLQXVNCGBGYPSP-STQMWFEESA-N 1 1 318.333 2.254 20 5 DEBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000934107631 800261214 /nfs/dbraw/zinc/26/12/14/800261214.db2.gz XLQXVNCGBGYPSP-STQMWFEESA-N 1 1 318.333 2.254 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000934115480 800263891 /nfs/dbraw/zinc/26/38/91/800263891.db2.gz AGAIERDBROAUSK-LSDHHAIUSA-N 1 1 321.377 2.341 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000935252790 800608953 /nfs/dbraw/zinc/60/89/53/800608953.db2.gz TXWZKSDQIVDVLA-JKSUJKDBSA-N 1 1 315.373 2.076 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)cc1F ZINC001229895574 801333797 /nfs/dbraw/zinc/33/37/97/801333797.db2.gz RKAIUSXXXSCFPW-MRCXROJRSA-N 1 1 308.309 2.225 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)cc1F ZINC001229895574 801333803 /nfs/dbraw/zinc/33/38/03/801333803.db2.gz RKAIUSXXXSCFPW-MRCXROJRSA-N 1 1 308.309 2.225 20 5 DEBDMO CC[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2NC(C)=O)C1 ZINC001230245860 801374351 /nfs/dbraw/zinc/37/43/51/801374351.db2.gz DQVKXPIOIKICKN-ZDUSSCGKSA-N 1 1 307.350 2.416 20 5 DEBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](CCF)CC2)cc1[N+](=O)[O-] ZINC001233701744 802187061 /nfs/dbraw/zinc/18/70/61/802187061.db2.gz DXRYHLZYACGGPK-UHFFFAOYSA-N 1 1 313.285 2.316 20 5 DEBDMO COc1cc(CC[N+](=O)[O-])ccc1OC1C[NH+](C(C)(C)C)C1 ZINC001233983274 802258916 /nfs/dbraw/zinc/25/89/16/802258916.db2.gz SHOQWJRYNLTITP-UHFFFAOYSA-N 1 1 308.378 2.376 20 5 DEBDMO CCOC(=O)c1ccc(CO[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223967102 802826403 /nfs/dbraw/zinc/82/64/03/802826403.db2.gz SXJLNEBYAWNBJR-CQSZACIVSA-N 1 1 322.361 2.382 20 5 DEBDMO C[N@@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2Br)C1 ZINC001225759245 803010357 /nfs/dbraw/zinc/01/03/57/803010357.db2.gz NMGALSCTHPGAQQ-MRVPVSSYSA-N 1 1 301.140 2.440 20 5 DEBDMO C[N@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2Br)C1 ZINC001225759245 803010362 /nfs/dbraw/zinc/01/03/62/803010362.db2.gz NMGALSCTHPGAQQ-MRVPVSSYSA-N 1 1 301.140 2.440 20 5 DEBDMO CC[N@H+]1CCC[C@H](Oc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC001226216286 803073748 /nfs/dbraw/zinc/07/37/48/803073748.db2.gz HJGMMQHETZFQGA-ZDUSSCGKSA-N 1 1 322.361 2.173 20 5 DEBDMO Cc1cc[nH+]c(N2CCC(Oc3ncc([N+](=O)[O-])cn3)CC2)c1 ZINC001226733292 803150523 /nfs/dbraw/zinc/15/05/23/803150523.db2.gz LXFSUCRWBKTYRT-UHFFFAOYSA-N 1 1 315.333 2.136 20 5 DEBDMO COC(=O)c1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC001228767374 803408370 /nfs/dbraw/zinc/40/83/70/803408370.db2.gz BAUXGXFRTQWPIE-JYAVWHMHSA-N 1 1 320.345 2.385 20 5 DEBDMO COC(=O)c1cc(OC2C[NH+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC001228768911 803408454 /nfs/dbraw/zinc/40/84/54/803408454.db2.gz NDYNFURCNDPEFP-UHFFFAOYSA-N 1 1 308.334 2.243 20 5 DEBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1C1CCCC1 ZINC001350603317 1151373721 /nfs/dbraw/zinc/37/37/21/1151373721.db2.gz RJVDTMIVWIKVCQ-NSHDSACASA-N 1 1 306.366 2.012 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2nc(CN3CCn4cc[nH+]c43)co2)cc1 ZINC001460652340 1058486246 /nfs/dbraw/zinc/48/62/46/1058486246.db2.gz PQYASZZQUZVCSB-UHFFFAOYSA-N 1 1 311.301 2.467 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001460853320 1058523247 /nfs/dbraw/zinc/52/32/47/1058523247.db2.gz BSZFLHWTIOMOMW-CYBMUJFWSA-N 1 1 314.345 2.253 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001467033530 1059569437 /nfs/dbraw/zinc/56/94/37/1059569437.db2.gz VAPFYMPZJALNJW-LBPRGKRZSA-N 1 1 321.381 2.123 20 5 DEBDMO CN(CCC[N@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)C1CC1 ZINC001502149801 1059995575 /nfs/dbraw/zinc/99/55/75/1059995575.db2.gz FQGYXLZAABIMNQ-UHFFFAOYSA-N 1 1 311.407 2.347 20 5 DEBDMO CN(CCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)C1CC1 ZINC001502149801 1059995587 /nfs/dbraw/zinc/99/55/87/1059995587.db2.gz FQGYXLZAABIMNQ-UHFFFAOYSA-N 1 1 311.407 2.347 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC001472863103 1060597665 /nfs/dbraw/zinc/59/76/65/1060597665.db2.gz FOHWUALSBAXQGW-PHIMTYICSA-N 1 1 303.366 2.390 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC001636535925 1078480537 /nfs/dbraw/zinc/48/05/37/1078480537.db2.gz UTJLHRYHDFOEGL-MNOVXSKESA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC001636535925 1078480546 /nfs/dbraw/zinc/48/05/46/1078480546.db2.gz UTJLHRYHDFOEGL-MNOVXSKESA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC001636535926 1078480671 /nfs/dbraw/zinc/48/06/71/1078480671.db2.gz UTJLHRYHDFOEGL-QWRGUYRKSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC001636535926 1078480676 /nfs/dbraw/zinc/48/06/76/1078480676.db2.gz UTJLHRYHDFOEGL-QWRGUYRKSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC001579735101 1067412716 /nfs/dbraw/zinc/41/27/16/1067412716.db2.gz XFIZKLSLNTZSJK-JSGCOSHPSA-N 1 1 307.394 2.414 20 5 DEBDMO CC[N@@H+](CCNC(=O)C=C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001267234675 1078685923 /nfs/dbraw/zinc/68/59/23/1078685923.db2.gz KXKIKQUHBMTAPA-UHFFFAOYSA-N 1 1 305.378 2.499 20 5 DEBDMO CSc1ccc(C(=O)N[C@H]2C[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC001558503409 1075096948 /nfs/dbraw/zinc/09/69/48/1075096948.db2.gz NZFDECQXZGJCJK-ZDUSSCGKSA-N 1 1 323.418 2.387 20 5 DEBDMO C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001558603166 1075100997 /nfs/dbraw/zinc/10/09/97/1075100997.db2.gz KQDHMQLVPCJUFT-OLZOCXBDSA-N 1 1 305.378 2.156 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC001559304429 1075119719 /nfs/dbraw/zinc/11/97/19/1075119719.db2.gz WMJXLLHOYULMGW-MVWJERBFSA-N 1 1 306.322 2.255 20 5 DEBDMO CCOC(=O)CC[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559914757 1075129961 /nfs/dbraw/zinc/12/99/61/1075129961.db2.gz NGFLQULCXXZOSS-UHFFFAOYSA-N 1 1 310.350 2.249 20 5 DEBDMO C[C@@H]1CCCC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590253560 1076601076 /nfs/dbraw/zinc/60/10/76/1076601076.db2.gz GKXYTMQETPFIGH-LLVKDONJSA-N 1 1 316.365 2.397 20 5 DEBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590501882 1076641495 /nfs/dbraw/zinc/64/14/95/1076641495.db2.gz GSQOBTYGXWTOIX-GXFFZTMASA-N 1 1 316.365 2.395 20 5 DEBDMO CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])CC1CC1 ZINC001590719686 1076671019 /nfs/dbraw/zinc/67/10/19/1076671019.db2.gz JLTRIAHQLNUHTI-UHFFFAOYSA-N 1 1 302.338 2.007 20 5 DEBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609153892 1077774635 /nfs/dbraw/zinc/77/46/35/1077774635.db2.gz FHYZUVBJEOTVKI-SNVBAGLBSA-N 1 1 316.365 2.395 20 5 DEBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609198493 1077794044 /nfs/dbraw/zinc/79/40/44/1077794044.db2.gz BSDRMUHNBKLAPV-QWRGUYRKSA-N 1 1 316.365 2.395 20 5 DEBDMO O=C(C[NH+]1CCCC1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001651152895 1079790997 /nfs/dbraw/zinc/79/09/97/1079790997.db2.gz LZBBOKANGLCXGJ-UHFFFAOYSA-N 1 1 315.333 2.019 20 5 DEBDMO CCOC(=O)C[N@H+](CC)CCCOc1ccc([N+](=O)[O-])cc1 ZINC001653220618 1079919017 /nfs/dbraw/zinc/91/90/17/1079919017.db2.gz CRWFDGKKDKEYJF-UHFFFAOYSA-N 1 1 310.350 2.249 20 5 DEBDMO CCOC(=O)C[N@@H+](CC)CCCOc1ccc([N+](=O)[O-])cc1 ZINC001653220618 1079919024 /nfs/dbraw/zinc/91/90/24/1079919024.db2.gz CRWFDGKKDKEYJF-UHFFFAOYSA-N 1 1 310.350 2.249 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001654030694 1079947965 /nfs/dbraw/zinc/94/79/65/1079947965.db2.gz OTPHONYQUQUSHX-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1cc[nH]c1 ZINC001272020822 1082286331 /nfs/dbraw/zinc/28/63/31/1082286331.db2.gz QOAWZJVABXRWCR-UHFFFAOYSA-N 1 1 316.361 2.127 20 5 DEBDMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1cc[nH]c1 ZINC001272020822 1082286336 /nfs/dbraw/zinc/28/63/36/1082286336.db2.gz QOAWZJVABXRWCR-UHFFFAOYSA-N 1 1 316.361 2.127 20 5 DEBDMO C/C=C(/C)C(=O)NC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001482993795 1082612654 /nfs/dbraw/zinc/61/26/54/1082612654.db2.gz BJLLALXLYGTEGT-ICLFJSEDSA-N 1 1 309.391 2.385 20 5 DEBDMO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CNCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001246109249 1140861863 /nfs/dbraw/zinc/86/18/63/1140861863.db2.gz AMQWGUHWWHJUKB-LALPHHSUSA-N 1 1 307.394 2.122 20 5 DEBDMO CCOC(=O)C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001320585806 1140882673 /nfs/dbraw/zinc/88/26/73/1140882673.db2.gz XISACVWYXUVWJU-CABCVRRESA-N 1 1 322.361 2.046 20 5 DEBDMO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2N)c([N+](=O)[O-])c1 ZINC001246475293 1140914994 /nfs/dbraw/zinc/91/49/94/1140914994.db2.gz CWJJGVCRDIWNCQ-GLQYFDAESA-N 1 1 307.394 2.394 20 5 DEBDMO COc1ccc(C[C@H](C)N[C@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC001246475293 1140915002 /nfs/dbraw/zinc/91/50/02/1140915002.db2.gz CWJJGVCRDIWNCQ-GLQYFDAESA-N 1 1 307.394 2.394 20 5 DEBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[NH+]2CCCCC2)n1 ZINC001247446206 1141355830 /nfs/dbraw/zinc/35/58/30/1141355830.db2.gz LGFKYFGQAYWOAV-UHFFFAOYSA-N 1 1 307.285 2.165 20 5 DEBDMO C[N@H+]1CCC[C@H](Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001248276040 1141753215 /nfs/dbraw/zinc/75/32/15/1141753215.db2.gz OFBZGOUTJONRFU-SECBINFHSA-N 1 1 321.312 2.063 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001324358235 1142061075 /nfs/dbraw/zinc/06/10/75/1142061075.db2.gz OSHZYSWGCKOTPH-OAHLLOKOSA-N 1 1 312.373 2.407 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001337478355 1142759447 /nfs/dbraw/zinc/75/94/47/1142759447.db2.gz FBQLFNFZQOLJPG-GFCCVEGCSA-N 1 1 316.361 2.290 20 5 DEBDMO C[C@H](C(=O)NC[C@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001337478236 1142759509 /nfs/dbraw/zinc/75/95/09/1142759509.db2.gz CXARBGYJYMIGLI-SWLSCSKDSA-N 1 1 305.378 2.299 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001253738883 1142904357 /nfs/dbraw/zinc/90/43/57/1142904357.db2.gz TZKMYQKFKGHPLP-UHFFFAOYSA-N 1 1 300.318 2.323 20 5 DEBDMO C[C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1=O ZINC001254476380 1143131570 /nfs/dbraw/zinc/13/15/70/1143131570.db2.gz PGKAAPKCOYUPQD-CYBMUJFWSA-N 1 1 317.389 2.475 20 5 DEBDMO COc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c([N+](=O)[O-])cc1OC ZINC001339999039 1143225846 /nfs/dbraw/zinc/22/58/46/1143225846.db2.gz MFWRBXZPYNWASG-GRYCIOLGSA-N 1 1 321.377 2.364 20 5 DEBDMO CC[N@@H+](CCN1CCOCC1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560801 1143248416 /nfs/dbraw/zinc/24/84/16/1143248416.db2.gz YNUMTNRCIYXGTL-HNNXBMFYSA-N 1 1 321.421 2.180 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2nccn2CC1 ZINC001254566831 1143251837 /nfs/dbraw/zinc/25/18/37/1143251837.db2.gz UNQMVVGCBHAKPA-CYBMUJFWSA-N 1 1 300.362 2.281 20 5 DEBDMO O=C1CCC[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]12 ZINC001254611201 1143282495 /nfs/dbraw/zinc/28/24/95/1143282495.db2.gz WTRZRHZGZCXZQN-WQVCFCJDSA-N 1 1 300.358 2.363 20 5 DEBDMO O=C1O[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC12CC2 ZINC001255852335 1143810803 /nfs/dbraw/zinc/81/08/03/1143810803.db2.gz APJHKKPUDFAJSE-AWEZNQCLSA-N 1 1 302.330 2.049 20 5 DEBDMO O=C1O[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC12CC2 ZINC001255852335 1143810804 /nfs/dbraw/zinc/81/08/04/1143810804.db2.gz APJHKKPUDFAJSE-AWEZNQCLSA-N 1 1 302.330 2.049 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccnc1N(C)C ZINC001261135523 1144222715 /nfs/dbraw/zinc/22/27/15/1144222715.db2.gz ADMROBKHFDQDOS-UHFFFAOYSA-N 1 1 316.361 2.354 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001262376778 1144310232 /nfs/dbraw/zinc/31/02/32/1144310232.db2.gz BSHCRPGATNQHEJ-LBPRGKRZSA-N 1 1 318.377 2.104 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353329208 1151824246 /nfs/dbraw/zinc/82/42/46/1151824246.db2.gz PCBMWTFNMSMPKA-ZFWWWQNUSA-N 1 1 307.394 2.091 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353329208 1151824250 /nfs/dbraw/zinc/82/42/50/1151824250.db2.gz PCBMWTFNMSMPKA-ZFWWWQNUSA-N 1 1 307.394 2.091 20 5 DEBDMO COc1c(O)ccc(C[NH2+]Cc2ccnc(F)c2)c1[N+](=O)[O-] ZINC001308886649 1147489212 /nfs/dbraw/zinc/48/92/12/1147489212.db2.gz OMRNYVXOFVECOL-UHFFFAOYSA-N 1 1 307.281 2.133 20 5 DEBDMO Cc1cc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001339547781 1147507516 /nfs/dbraw/zinc/50/75/16/1147507516.db2.gz GCQMGDVMZUZGKK-UHFFFAOYSA-N 1 1 314.345 2.393 20 5 DEBDMO CC[N@@H+](CCCNC(=O)C(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001316880087 1147619735 /nfs/dbraw/zinc/61/97/35/1147619735.db2.gz NYQYNYHUONWFLR-UHFFFAOYSA-N 1 1 315.320 2.188 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC000278721243 214352144 /nfs/dbraw/zinc/35/21/44/214352144.db2.gz POSOJZLDJKIQDM-NWDGAFQWSA-N 1 1 315.377 2.188 20 5 DEBDMO CC(C)[N@@H+]1C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155814434 282175224 /nfs/dbraw/zinc/17/52/24/282175224.db2.gz DWNDQPOZFWBYQZ-JTMKOSTRSA-N 1 1 317.389 2.453 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595452008 358452379 /nfs/dbraw/zinc/45/23/79/358452379.db2.gz GBGNPDHJYQYJRT-CYBMUJFWSA-N 1 1 320.393 2.267 20 5 DEBDMO CC[C@H](NC(=O)NCC[N@@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000090552421 185302665 /nfs/dbraw/zinc/30/26/65/185302665.db2.gz VQSKRHCCJGVYHK-AWEZNQCLSA-N 1 1 308.382 2.297 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000277950639 213876519 /nfs/dbraw/zinc/87/65/19/213876519.db2.gz HDEBPZMOCLMREZ-UHFFFAOYSA-N 1 1 302.334 2.228 20 5 DEBDMO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000181808155 199354853 /nfs/dbraw/zinc/35/48/53/199354853.db2.gz XVKMWDYFJPAWRM-NSHDSACASA-N 1 1 318.333 2.489 20 5 DEBDMO COc1cc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000330970967 232245999 /nfs/dbraw/zinc/24/59/99/232245999.db2.gz GSIRCSLDSLKAGJ-WDEREUQCSA-N 1 1 311.357 2.267 20 5 DEBDMO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272582586 210002449 /nfs/dbraw/zinc/00/24/49/210002449.db2.gz LHLXBLYECFNCSV-LBPRGKRZSA-N 1 1 321.377 2.295 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272582586 210002454 /nfs/dbraw/zinc/00/24/54/210002454.db2.gz LHLXBLYECFNCSV-LBPRGKRZSA-N 1 1 321.377 2.295 20 5 DEBDMO COCCCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272525934 209939463 /nfs/dbraw/zinc/93/94/63/209939463.db2.gz LZEZRAXLMUYPQY-OAHLLOKOSA-N 1 1 318.377 2.434 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000331378766 233229898 /nfs/dbraw/zinc/22/98/98/233229898.db2.gz HYSMKRSRLRTHLG-VIFPVBQESA-N 1 1 308.313 2.092 20 5 DEBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000152480935 186078148 /nfs/dbraw/zinc/07/81/48/186078148.db2.gz VQELSLNCHOGRPP-BXUZGUMPSA-N 1 1 322.361 2.197 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000171455546 186162244 /nfs/dbraw/zinc/16/22/44/186162244.db2.gz SMRZGOYJGDURBA-AWEZNQCLSA-N 1 1 321.377 2.094 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000183894205 186228547 /nfs/dbraw/zinc/22/85/47/186228547.db2.gz FQZIJPXHAABAMJ-UHFFFAOYSA-N 1 1 306.366 2.461 20 5 DEBDMO C[C@@H]1CN(CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000595476460 358459391 /nfs/dbraw/zinc/45/93/91/358459391.db2.gz MNIWMVDVEVROON-HUUCEWRRSA-N 1 1 321.421 2.178 20 5 DEBDMO CC(C)OC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000172715132 198140016 /nfs/dbraw/zinc/14/00/16/198140016.db2.gz QZLQMKOGAYHNOC-UHFFFAOYSA-N 1 1 321.377 2.059 20 5 DEBDMO CC1(C)[C@@H]2C[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000172948111 198169530 /nfs/dbraw/zinc/16/95/30/198169530.db2.gz PNICTGHOHUVLDW-OKILXGFUSA-N 1 1 315.373 2.072 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000173783513 198251381 /nfs/dbraw/zinc/25/13/81/198251381.db2.gz NJEZGFHFICHLEF-LLVKDONJSA-N 1 1 312.391 2.420 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000173885428 198264490 /nfs/dbraw/zinc/26/44/90/198264490.db2.gz GZJKJPBTPWKDSY-AWEZNQCLSA-N 1 1 307.394 2.247 20 5 DEBDMO CC[N@H+]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000595536704 358477497 /nfs/dbraw/zinc/47/74/97/358477497.db2.gz TWDYXYNNKFDMAH-AWEZNQCLSA-N 1 1 307.394 2.390 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000174512023 198343308 /nfs/dbraw/zinc/34/33/08/198343308.db2.gz MRCLTAYPWWMRRF-GFCCVEGCSA-N 1 1 321.377 2.017 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000174512294 198343607 /nfs/dbraw/zinc/34/36/07/198343607.db2.gz NJWIGWRBUKIDRY-CYBMUJFWSA-N 1 1 305.378 2.317 20 5 DEBDMO COc1ccc([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000174838859 198392543 /nfs/dbraw/zinc/39/25/43/198392543.db2.gz YFYYVNQJCQQVLY-AWEZNQCLSA-N 1 1 316.361 2.289 20 5 DEBDMO CC[N@@H+](CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000617718543 363229894 /nfs/dbraw/zinc/22/98/94/363229894.db2.gz OTAUYJFPXPBXSZ-LBPRGKRZSA-N 1 1 305.378 2.299 20 5 DEBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000014914379 354029358 /nfs/dbraw/zinc/02/93/58/354029358.db2.gz RBDHEAUDOUHHTC-NSHDSACASA-N 1 1 307.350 2.416 20 5 DEBDMO Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046862102 354293899 /nfs/dbraw/zinc/29/38/99/354293899.db2.gz XSUUPLLVLBOWPE-LBPRGKRZSA-N 1 1 305.378 2.365 20 5 DEBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000047981103 354337198 /nfs/dbraw/zinc/33/71/98/354337198.db2.gz JTLYPCBKFIJMJF-HNNXBMFYSA-N 1 1 317.389 2.333 20 5 DEBDMO CCCNC(=O)C[N@@H+](CCC)CCOc1ccccc1[N+](=O)[O-] ZINC000052247351 354398929 /nfs/dbraw/zinc/39/89/29/354398929.db2.gz KVWSBRVCXQYAQF-UHFFFAOYSA-N 1 1 323.393 2.212 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000058274565 354588976 /nfs/dbraw/zinc/58/89/76/354588976.db2.gz ZLWRFFKDAIUEOH-NSHDSACASA-N 1 1 309.341 2.196 20 5 DEBDMO COCCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000066378584 354712290 /nfs/dbraw/zinc/71/22/90/354712290.db2.gz BMMPADSPDNYKSA-UHFFFAOYSA-N 1 1 306.322 2.113 20 5 DEBDMO COCCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000066378584 354712292 /nfs/dbraw/zinc/71/22/92/354712292.db2.gz BMMPADSPDNYKSA-UHFFFAOYSA-N 1 1 306.322 2.113 20 5 DEBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000072873811 354927076 /nfs/dbraw/zinc/92/70/76/354927076.db2.gz WRDLFSVBAHTSRQ-TXEJJXNPSA-N 1 1 303.362 2.072 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000076665134 355160808 /nfs/dbraw/zinc/16/08/08/355160808.db2.gz NUFJYCMUXPBEPK-AWEZNQCLSA-N 1 1 308.382 2.067 20 5 DEBDMO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000079914859 355336359 /nfs/dbraw/zinc/33/63/59/355336359.db2.gz XUINZTPQURFVSA-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCN1CCCC1 ZINC000089898516 355546145 /nfs/dbraw/zinc/54/61/45/355546145.db2.gz NPNLZAFKSYYZGI-UHFFFAOYSA-N 1 1 307.394 2.391 20 5 DEBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCN1CCCC1 ZINC000089898516 355546149 /nfs/dbraw/zinc/54/61/49/355546149.db2.gz NPNLZAFKSYYZGI-UHFFFAOYSA-N 1 1 307.394 2.391 20 5 DEBDMO C[C@@H](O)[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000089928890 355548668 /nfs/dbraw/zinc/54/86/68/355548668.db2.gz OJLMZWHKEBHHMG-KGLIPLIRSA-N 1 1 308.378 2.457 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087218938 355507024 /nfs/dbraw/zinc/50/70/24/355507024.db2.gz VTUZDLWZJSGYDD-HNNXBMFYSA-N 1 1 319.405 2.376 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293280310 356388498 /nfs/dbraw/zinc/38/84/98/356388498.db2.gz VJGKVZSCWQGUBH-CYBMUJFWSA-N 1 1 324.377 2.077 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000312876126 356413110 /nfs/dbraw/zinc/41/31/10/356413110.db2.gz ZGSAAAHOQHGEMD-NSHDSACASA-N 1 1 302.758 2.328 20 5 DEBDMO CC(C)[N@@H+]1CCO[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351180493 356627705 /nfs/dbraw/zinc/62/77/05/356627705.db2.gz IDSMLZPPEHWLFK-ZDUSSCGKSA-N 1 1 318.333 2.427 20 5 DEBDMO CC(C)[N@H+]1CCO[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351180493 356627707 /nfs/dbraw/zinc/62/77/07/356627707.db2.gz IDSMLZPPEHWLFK-ZDUSSCGKSA-N 1 1 318.333 2.427 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000578527971 356833013 /nfs/dbraw/zinc/83/30/13/356833013.db2.gz VTJLNRBDPGBNIY-JMSVASOKSA-N 1 1 319.361 2.033 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000578527971 356833016 /nfs/dbraw/zinc/83/30/16/356833016.db2.gz VTJLNRBDPGBNIY-JMSVASOKSA-N 1 1 319.361 2.033 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000578895079 356889231 /nfs/dbraw/zinc/88/92/31/356889231.db2.gz ZUUGBVDMNLRAHF-RISCZKNCSA-N 1 1 322.361 2.223 20 5 DEBDMO CC1=CC[N@@H+](CCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000584814230 357313216 /nfs/dbraw/zinc/31/32/16/357313216.db2.gz YQVMAEPYNGMRCN-AWEZNQCLSA-N 1 1 317.389 2.467 20 5 DEBDMO COC[C@@]1(C)CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590655122 357574197 /nfs/dbraw/zinc/57/41/97/357574197.db2.gz PBBVOPXPNJSALJ-INIZCTEOSA-N 1 1 322.361 2.224 20 5 DEBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000590184013 357524293 /nfs/dbraw/zinc/52/42/93/357524293.db2.gz VYQLIMQMUCHFGC-GDNZZTSVSA-N 1 1 316.279 2.284 20 5 DEBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000590184013 357524295 /nfs/dbraw/zinc/52/42/95/357524295.db2.gz VYQLIMQMUCHFGC-GDNZZTSVSA-N 1 1 316.279 2.284 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000590913243 357641842 /nfs/dbraw/zinc/64/18/42/357641842.db2.gz MECVJRCSQOUPIV-TZMCWYRMSA-N 1 1 320.393 2.391 20 5 DEBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591056150 357668546 /nfs/dbraw/zinc/66/85/46/357668546.db2.gz XRNOQFJKVHJELU-UONOGXRCSA-N 1 1 308.378 2.457 20 5 DEBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000593030154 357991661 /nfs/dbraw/zinc/99/16/61/357991661.db2.gz JGOIOQOEFYTBPQ-UONOGXRCSA-N 1 1 321.352 2.019 20 5 DEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593122602 358015999 /nfs/dbraw/zinc/01/59/99/358015999.db2.gz ICSKPNFAEIJZCB-UONOGXRCSA-N 1 1 304.346 2.226 20 5 DEBDMO COc1cc(C[N@@H+]2CCCCC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000594017159 358189669 /nfs/dbraw/zinc/18/96/69/358189669.db2.gz SJVZMEUDGNLBDV-LBPRGKRZSA-N 1 1 312.341 2.479 20 5 DEBDMO COc1cc(C[N@H+]2CCCCC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000594017159 358189672 /nfs/dbraw/zinc/18/96/72/358189672.db2.gz SJVZMEUDGNLBDV-LBPRGKRZSA-N 1 1 312.341 2.479 20 5 DEBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594197375 358221719 /nfs/dbraw/zinc/22/17/19/358221719.db2.gz NHYGGXXIXCUFMG-HZPDHXFCSA-N 1 1 317.389 2.270 20 5 DEBDMO CCn1cc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)nn1 ZINC000594974043 358372142 /nfs/dbraw/zinc/37/21/42/358372142.db2.gz RISDNADESWKWFH-KPKJPENVSA-N 1 1 301.350 2.399 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000496130850 283367053 /nfs/dbraw/zinc/36/70/53/283367053.db2.gz VXXGBHALJUAYFR-AWEZNQCLSA-N 1 1 319.361 2.177 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000496130851 283367108 /nfs/dbraw/zinc/36/71/08/283367108.db2.gz VXXGBHALJUAYFR-CQSZACIVSA-N 1 1 319.361 2.177 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C ZINC000595044656 358383131 /nfs/dbraw/zinc/38/31/31/358383131.db2.gz NGBAWOBIKJDBAR-MNOVXSKESA-N 1 1 309.366 2.167 20 5 DEBDMO CCOC(=O)C[C@@](C)([NH2+]Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000595449812 358451664 /nfs/dbraw/zinc/45/16/64/358451664.db2.gz QCLCGCQNMRWKDY-CQSZACIVSA-N 1 1 313.354 2.349 20 5 DEBDMO Cc1noc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000595395400 358439632 /nfs/dbraw/zinc/43/96/32/358439632.db2.gz VGRJLEQERNCXLZ-PWSUYJOCSA-N 1 1 305.338 2.171 20 5 DEBDMO Cc1noc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000595395400 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COc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000357043414 147029510 /nfs/dbraw/zinc/02/95/10/147029510.db2.gz GBDYRDXKDVKJOI-OAHLLOKOSA-N 1 1 319.405 2.425 20 5 DEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358390837 147124683 /nfs/dbraw/zinc/12/46/83/147124683.db2.gz IBKVQTLTVHIBOP-GFCCVEGCSA-N 1 1 323.368 2.077 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358390839 147124713 /nfs/dbraw/zinc/12/47/13/147124713.db2.gz IBKVQTLTVHIBOP-LBPRGKRZSA-N 1 1 323.368 2.077 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358641413 147171959 /nfs/dbraw/zinc/17/19/59/147171959.db2.gz YBBXCVJPSHXJFB-LBPRGKRZSA-N 1 1 322.409 2.433 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C(C)C)C1CC1 ZINC000074237411 401734262 /nfs/dbraw/zinc/73/42/62/401734262.db2.gz BJEJVAJNRQBZQD-UHFFFAOYSA-N 1 1 307.350 2.415 20 5 DEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000072013193 401701074 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DEBDMO Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000119551411 401958199 /nfs/dbraw/zinc/95/81/99/401958199.db2.gz ITIKPZVJACASPP-HUUCEWRRSA-N 1 1 317.389 2.460 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000136968457 401977049 /nfs/dbraw/zinc/97/70/49/401977049.db2.gz GUYDVYDIUMPLCE-XJKSGUPXSA-N 1 1 316.361 2.231 20 5 DEBDMO Cc1c(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000054987142 402073638 /nfs/dbraw/zinc/07/36/38/402073638.db2.gz DHPGIZHEUCZQHX-HNNXBMFYSA-N 1 1 303.362 2.146 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000054987142 402073639 /nfs/dbraw/zinc/07/36/39/402073639.db2.gz DHPGIZHEUCZQHX-HNNXBMFYSA-N 1 1 303.362 2.146 20 5 DEBDMO CC[N@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000122413354 402077278 /nfs/dbraw/zinc/07/72/78/402077278.db2.gz JQTOILUFGJVGKQ-IUODEOHRSA-N 1 1 307.394 2.423 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)[N@H+]1C ZINC000122182165 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AVLADYPSPMEUSN-CQSZACIVSA-N 1 1 316.361 2.289 20 5 DEBDMO Cc1cccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177041294 402363182 /nfs/dbraw/zinc/36/31/82/402363182.db2.gz GNKNNEFRKIXEQO-NEPJUHHUSA-N 1 1 303.362 2.258 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177731352 402430870 /nfs/dbraw/zinc/43/08/70/402430870.db2.gz FJJSEQXQVVGQFB-AAEUAGOBSA-N 1 1 318.377 2.019 20 5 DEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])s1 ZINC000177809925 402438725 /nfs/dbraw/zinc/43/87/25/402438725.db2.gz DNWQNVNAGQRVNF-MNOVXSKESA-N 1 1 309.391 2.355 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000186725278 402460223 /nfs/dbraw/zinc/46/02/23/402460223.db2.gz HSTYIEIQCUTXKR-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@H]1O ZINC000245564469 402471635 /nfs/dbraw/zinc/47/16/35/402471635.db2.gz YXKCIEYGKXSXAC-XJKSGUPXSA-N 1 1 308.378 2.457 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC2(CC2)C1 ZINC000186979833 402475744 /nfs/dbraw/zinc/47/57/44/402475744.db2.gz ODJKHXYEERUGII-ZDUSSCGKSA-N 1 1 306.362 2.211 20 5 DEBDMO COCCO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000189669326 402550917 /nfs/dbraw/zinc/55/09/17/402550917.db2.gz KNBXJAARGDRKOJ-CYBMUJFWSA-N 1 1 314.769 2.486 20 5 DEBDMO COCCO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000189669326 402550921 /nfs/dbraw/zinc/55/09/21/402550921.db2.gz KNBXJAARGDRKOJ-CYBMUJFWSA-N 1 1 314.769 2.486 20 5 DEBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000179137204 402575205 /nfs/dbraw/zinc/57/52/05/402575205.db2.gz GYFLDSDUSRXDNQ-GFCCVEGCSA-N 1 1 308.334 2.131 20 5 DEBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000248368971 402587843 /nfs/dbraw/zinc/58/78/43/402587843.db2.gz VTXDYVSXFVMMDZ-NEPJUHHUSA-N 1 1 303.362 2.214 20 5 DEBDMO C[C@H]1CCCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248567418 402596361 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DEBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184089718 402817474 /nfs/dbraw/zinc/81/74/74/402817474.db2.gz UOWNLODSLZASMJ-UHFFFAOYSA-N 1 1 324.352 2.363 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184089718 402817476 /nfs/dbraw/zinc/81/74/76/402817476.db2.gz UOWNLODSLZASMJ-UHFFFAOYSA-N 1 1 324.352 2.363 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183630692 402783749 /nfs/dbraw/zinc/78/37/49/402783749.db2.gz PYJLVWFERBPLAJ-VXGBXAGGSA-N 1 1 321.381 2.232 20 5 DEBDMO COc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000272176140 402906023 /nfs/dbraw/zinc/90/60/23/402906023.db2.gz JIABTCBEBZDMFQ-YGRLFVJLSA-N 1 1 309.341 2.273 20 5 DEBDMO COc1cc(C[N@@H+](C)CCCCCO)c([N+](=O)[O-])cc1F ZINC000278945873 402889068 /nfs/dbraw/zinc/88/90/68/402889068.db2.gz VAVZUURBNGPDNS-UHFFFAOYSA-N 1 1 300.330 2.337 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC000272568217 402953803 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C[N@H+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270864068 403232770 /nfs/dbraw/zinc/23/27/70/403232770.db2.gz ALYCBBWVIKCIFC-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000283407725 403195677 /nfs/dbraw/zinc/19/56/77/403195677.db2.gz FUUCYTDQPLCXDE-NWDGAFQWSA-N 1 1 307.350 2.033 20 5 DEBDMO CC(C)(O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000284184290 403252383 /nfs/dbraw/zinc/25/23/83/403252383.db2.gz RLHKZLYVQMCZNM-UHFFFAOYSA-N 1 1 309.322 2.238 20 5 DEBDMO CC(C)(O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000284184290 403252385 /nfs/dbraw/zinc/25/23/85/403252385.db2.gz RLHKZLYVQMCZNM-UHFFFAOYSA-N 1 1 309.322 2.238 20 5 DEBDMO CO[C@H](C)C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285462576 403302000 /nfs/dbraw/zinc/30/20/00/403302000.db2.gz ARQGEIIVHMUIII-SNVBAGLBSA-N 1 1 306.322 2.112 20 5 DEBDMO CO[C@H](C)C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285462576 403302003 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O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332368473 403562410 /nfs/dbraw/zinc/56/24/10/403562410.db2.gz UNQIZYQZLIHUIS-CYBMUJFWSA-N 1 1 319.361 2.001 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000332381396 403566638 /nfs/dbraw/zinc/56/66/38/403566638.db2.gz XUTJLBUSGYFMBM-OAHLLOKOSA-N 1 1 324.356 2.377 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000272933651 292283297 /nfs/dbraw/zinc/28/32/97/292283297.db2.gz LFVIKSWYFDUUCU-LBPRGKRZSA-N 1 1 303.362 2.283 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000347340643 403671332 /nfs/dbraw/zinc/67/13/32/403671332.db2.gz PDXCMNWSYSJRBN-SHRNQRGKSA-N 1 1 320.389 2.471 20 5 DEBDMO CC(C)C[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304981575 403806329 /nfs/dbraw/zinc/80/63/29/403806329.db2.gz GBPIJKDNTJPKMR-HIFRSBDPSA-N 1 1 310.398 2.053 20 5 DEBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2O1 ZINC000289055826 403818367 /nfs/dbraw/zinc/81/83/67/403818367.db2.gz QWJRMFBWTDNCFQ-UHFFFAOYSA-N 1 1 316.361 2.465 20 5 DEBDMO CC(C)C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289140913 403847906 /nfs/dbraw/zinc/84/79/06/403847906.db2.gz FODLFXDZTYRDNA-UHFFFAOYSA-N 1 1 305.378 2.332 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305670032 403908946 /nfs/dbraw/zinc/90/89/46/403908946.db2.gz WJMOWTBHMZTLAJ-AGIUHOORSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305670032 403908947 /nfs/dbraw/zinc/90/89/47/403908947.db2.gz WJMOWTBHMZTLAJ-AGIUHOORSA-N 1 1 321.377 2.015 20 5 DEBDMO C[N@H+](CCC(N)=O)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289746842 403996280 /nfs/dbraw/zinc/99/62/80/403996280.db2.gz KWENMLUUPQBWAV-UHFFFAOYSA-N 1 1 306.149 2.209 20 5 DEBDMO C[N@@H+](CCC(N)=O)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289746842 403996289 /nfs/dbraw/zinc/99/62/89/403996289.db2.gz KWENMLUUPQBWAV-UHFFFAOYSA-N 1 1 306.149 2.209 20 5 DEBDMO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347958703 403977485 /nfs/dbraw/zinc/97/74/85/403977485.db2.gz OOQKZZKJFPYOSY-FIXISWKDSA-N 1 1 323.368 2.436 20 5 DEBDMO Cc1cc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000369355749 404059683 /nfs/dbraw/zinc/05/96/83/404059683.db2.gz RYZRPPHEQBOSSQ-MRXNPFEDSA-N 1 1 318.421 2.119 20 5 DEBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000412118099 404144242 /nfs/dbraw/zinc/14/42/42/404144242.db2.gz ZNKCYZQUKDLCSE-INIZCTEOSA-N 1 1 322.361 2.379 20 5 DEBDMO CC(C)Oc1cc(C(=O)NC2C[NH+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000412268973 404217771 /nfs/dbraw/zinc/21/77/71/404217771.db2.gz KSHDYNXSJIMVEA-UHFFFAOYSA-N 1 1 321.377 2.204 20 5 DEBDMO CC[N@@H+](C[C@H](C)O)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352213511 404219453 /nfs/dbraw/zinc/21/94/53/404219453.db2.gz VKHOWFKVEXOFLZ-QWRGUYRKSA-N 1 1 320.349 2.409 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344472075 404163089 /nfs/dbraw/zinc/16/30/89/404163089.db2.gz WFZGKXKUNVVTLK-BETUJISGSA-N 1 1 305.378 2.458 20 5 DEBDMO CN(C)c1cc[nH+]cc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352177356 404194116 /nfs/dbraw/zinc/19/41/16/404194116.db2.gz ATMOWIIBQSUKNV-UHFFFAOYSA-N 1 1 304.281 2.447 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000369834829 404244235 /nfs/dbraw/zinc/24/42/35/404244235.db2.gz LWRBNYRLCQPGFF-CYBMUJFWSA-N 1 1 316.361 2.364 20 5 DEBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000363935507 404258120 /nfs/dbraw/zinc/25/81/20/404258120.db2.gz BQXCNPPYOBJNDW-CHWSQXEVSA-N 1 1 303.362 2.260 20 5 DEBDMO COc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000337822171 404262282 /nfs/dbraw/zinc/26/22/82/404262282.db2.gz UZIJKBXRHWYFKJ-KBPBESRZSA-N 1 1 305.378 2.320 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@]34CCOC4)nc2c1 ZINC000341966369 404284256 /nfs/dbraw/zinc/28/42/56/404284256.db2.gz KVHOCNVGKOMUNW-HNNXBMFYSA-N 1 1 302.334 2.226 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@]34CCOC4)nc2c1 ZINC000341966369 404284263 /nfs/dbraw/zinc/28/42/63/404284263.db2.gz KVHOCNVGKOMUNW-HNNXBMFYSA-N 1 1 302.334 2.226 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297215674 404504303 /nfs/dbraw/zinc/50/43/03/404504303.db2.gz ZHVXNFZIUYAMIT-YHWZYXNKSA-N 1 1 303.362 2.258 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356322705 404448333 /nfs/dbraw/zinc/44/83/33/404448333.db2.gz PMIYZKFIZPGCIU-UHFFFAOYSA-N 1 1 309.366 2.065 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291827982 404540646 /nfs/dbraw/zinc/54/06/46/404540646.db2.gz OBAHKLGTLISPMK-AWEZNQCLSA-N 1 1 302.334 2.117 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000373920721 404640706 /nfs/dbraw/zinc/64/07/06/404640706.db2.gz HKGAZIAGAOYASW-MNOVXSKESA-N 1 1 307.325 2.091 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000297770655 404618221 /nfs/dbraw/zinc/61/82/21/404618221.db2.gz LOAUQVQOMKNBFS-GFCCVEGCSA-N 1 1 306.366 2.285 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000365912128 404743237 /nfs/dbraw/zinc/74/32/37/404743237.db2.gz KSOSCLMSGYXUJW-UHFFFAOYSA-N 1 1 322.409 2.500 20 5 DEBDMO CCc1nn(C)c(NC[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000360953015 404860286 /nfs/dbraw/zinc/86/02/86/404860286.db2.gz HPWSMEPWVDPVPS-LBPRGKRZSA-N 1 1 309.414 2.423 20 5 DEBDMO COC[C@]1(C(=O)OC)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451340058 404960780 /nfs/dbraw/zinc/96/07/80/404960780.db2.gz VZKHTSYDCRUUDM-WBMJQRKESA-N 1 1 322.361 2.167 20 5 DEBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000435770750 405012738 /nfs/dbraw/zinc/01/27/38/405012738.db2.gz QLPDQDQFDCVQNX-ZDUSSCGKSA-N 1 1 320.393 2.450 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000451378383 404973276 /nfs/dbraw/zinc/97/32/76/404973276.db2.gz SDIISZJNRKSOJL-UHFFFAOYSA-N 1 1 314.345 2.450 20 5 DEBDMO CC(C)[N@H+](C)C[C@@H](C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000391863009 405050647 /nfs/dbraw/zinc/05/06/47/405050647.db2.gz UBRJRLIVTVZQRL-SNVBAGLBSA-N 1 1 319.365 2.384 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000408277195 405159685 /nfs/dbraw/zinc/15/96/85/405159685.db2.gz NQFLMLNSDIZLLX-HZMBPMFUSA-N 1 1 322.340 2.292 20 5 DEBDMO CC1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@@H]21 ZINC000452100053 405166136 /nfs/dbraw/zinc/16/61/36/405166136.db2.gz BULBOKWWVSGVAA-LSDHHAIUSA-N 1 1 306.362 2.330 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)cc1[N+](=O)[O-] ZINC000425347713 405277729 /nfs/dbraw/zinc/27/77/29/405277729.db2.gz HWQITMKIZUNZSV-CQSZACIVSA-N 1 1 301.350 2.332 20 5 DEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000439680970 405288722 /nfs/dbraw/zinc/28/87/22/405288722.db2.gz NCHXOIMVLXDABP-LBPRGKRZSA-N 1 1 308.382 2.163 20 5 DEBDMO CC(C)([NH2+]CC(=O)NCc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000429253508 405426386 /nfs/dbraw/zinc/42/63/86/405426386.db2.gz BESOMSSADAYHKR-UHFFFAOYSA-N 1 1 317.345 2.329 20 5 DEBDMO C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447572507 405418309 /nfs/dbraw/zinc/41/83/09/405418309.db2.gz CHKFWIZNOLHTGA-HUUCEWRRSA-N 1 1 319.409 2.127 20 5 DEBDMO O=C(C[N@H+]1CC[C@@H]2CCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000426455525 405361236 /nfs/dbraw/zinc/36/12/36/405361236.db2.gz TWSJPXGNNREVKN-SWLSCSKDSA-N 1 1 315.373 2.358 20 5 DEBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000426537952 405367787 /nfs/dbraw/zinc/36/77/87/405367787.db2.gz HQQSTZCIYMFLMG-AWEZNQCLSA-N 1 1 322.361 2.377 20 5 DEBDMO CCn1nccc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000429719600 405445789 /nfs/dbraw/zinc/44/57/89/405445789.db2.gz OYMIOKFIJIKPIB-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO CCn1nccc1C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000429719600 405445791 /nfs/dbraw/zinc/44/57/91/405445791.db2.gz OYMIOKFIJIKPIB-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000557537336 405604084 /nfs/dbraw/zinc/60/40/84/405604084.db2.gz CBBYAENYBOKYRO-STQMWFEESA-N 1 1 305.378 2.251 20 5 DEBDMO C[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000421710416 405606065 /nfs/dbraw/zinc/60/60/65/405606065.db2.gz KMKAFCVKAWWJJB-DGCLKSJQSA-N 1 1 323.368 2.390 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000421699655 405593989 /nfs/dbraw/zinc/59/39/89/405593989.db2.gz BSBKYXBWBCNHTB-LBPRGKRZSA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000421772932 405640739 /nfs/dbraw/zinc/64/07/39/405640739.db2.gz HVEJRBJGHHNILV-CHWSQXEVSA-N 1 1 305.378 2.424 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC2(CCC[N@H+]2C)CC1 ZINC000580736715 405671912 /nfs/dbraw/zinc/67/19/12/405671912.db2.gz XJPUNPABQOJHED-UHFFFAOYSA-N 1 1 307.398 2.184 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000421767912 405637441 /nfs/dbraw/zinc/63/74/41/405637441.db2.gz CHDZRJLGOONKEX-CYBMUJFWSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1nc(N2CC[NH+](Cc3cccs3)CC2)ncc1[N+](=O)[O-] ZINC000450223206 405786825 /nfs/dbraw/zinc/78/68/25/405786825.db2.gz KALWIPURUDPOKL-UHFFFAOYSA-N 1 1 319.390 2.077 20 5 DEBDMO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000497247139 406037284 /nfs/dbraw/zinc/03/72/84/406037284.db2.gz RSWDSKOTRVOMPG-NSHDSACASA-N 1 1 323.324 2.008 20 5 DEBDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000497247139 406037289 /nfs/dbraw/zinc/03/72/89/406037289.db2.gz RSWDSKOTRVOMPG-NSHDSACASA-N 1 1 323.324 2.008 20 5 DEBDMO CN(C)C(=O)OC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000496599423 405996179 /nfs/dbraw/zinc/99/61/79/405996179.db2.gz IMFCEMNZOSBLGD-UHFFFAOYSA-N 1 1 307.350 2.257 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000532563234 406084817 /nfs/dbraw/zinc/08/48/17/406084817.db2.gz BZEXNPAJFWWFSF-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000515433277 406069383 /nfs/dbraw/zinc/06/93/83/406069383.db2.gz QWBWCQRRHLUSNO-UHFFFAOYSA-N 1 1 319.405 2.328 20 5 DEBDMO COc1ccnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000488740541 406343728 /nfs/dbraw/zinc/34/37/28/406343728.db2.gz ZOGKFXGWHRTOQZ-UHFFFAOYSA-N 1 1 317.349 2.032 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@]1(C)CO ZINC000546105110 406350162 /nfs/dbraw/zinc/35/01/62/406350162.db2.gz VASPHLMTWGCODW-MRXNPFEDSA-N 1 1 321.377 2.079 20 5 DEBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@H]1C ZINC000489459578 406408083 /nfs/dbraw/zinc/40/80/83/406408083.db2.gz CLUPWVIVZLBLKZ-BBRMVZONSA-N 1 1 324.377 2.099 20 5 DEBDMO CC(C)OC[C@@H](CO)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000571246546 406495582 /nfs/dbraw/zinc/49/55/82/406495582.db2.gz MGSWOXLBHZUBFS-PMGBHYCQSA-N 1 1 308.378 2.326 20 5 DEBDMO COc1c(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000525997247 406529856 /nfs/dbraw/zinc/52/98/56/406529856.db2.gz OFLPXAJKBGXZOE-GFCCVEGCSA-N 1 1 321.377 2.064 20 5 DEBDMO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000572696919 406720502 /nfs/dbraw/zinc/72/05/02/406720502.db2.gz AUXDVZSUFIISFO-PRTUASRFSA-N 1 1 317.389 2.440 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000491908839 406773342 /nfs/dbraw/zinc/77/33/42/406773342.db2.gz YBNFPLSDDGAJGA-WQYAIIHGSA-N 1 1 303.362 2.207 20 5 DEBDMO COc1cc(C[N@H+](C)C[C@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000131104324 196140483 /nfs/dbraw/zinc/14/04/83/196140483.db2.gz MNOUELFUDWHBBX-QMMMGPOBSA-N 1 1 320.292 2.017 20 5 DEBDMO COc1cc(C[N@@H+](C)C[C@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000131104324 196140485 /nfs/dbraw/zinc/14/04/85/196140485.db2.gz MNOUELFUDWHBBX-QMMMGPOBSA-N 1 1 320.292 2.017 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134517639 196398720 /nfs/dbraw/zinc/39/87/20/196398720.db2.gz DQUFWGWMYMXPDL-GFCCVEGCSA-N 1 1 311.769 2.462 20 5 DEBDMO CC[N@@H+](C[C@H](C)OC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000291159512 222183798 /nfs/dbraw/zinc/18/37/98/222183798.db2.gz FQSBAVJVCGMEGW-RYUDHWBXSA-N 1 1 309.366 2.279 20 5 DEBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299130839 228952385 /nfs/dbraw/zinc/95/23/85/228952385.db2.gz ZBOXQLOAYQPLIZ-IVFUDNFBSA-N 1 1 315.373 2.351 20 5 DEBDMO C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000299227743 229006425 /nfs/dbraw/zinc/00/64/25/229006425.db2.gz CLTLHPPFUPQXJZ-VXGBXAGGSA-N 1 1 320.393 2.027 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273490736 424890341 /nfs/dbraw/zinc/89/03/41/424890341.db2.gz SKRXYIOWZWTHHX-UHFFFAOYSA-N 1 1 310.329 2.293 20 5 DEBDMO CC(C)Oc1nc(N[C@@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000580785110 424969845 /nfs/dbraw/zinc/96/98/45/424969845.db2.gz OPWIQXHJPFVTPK-LBPRGKRZSA-N 1 1 320.393 2.839 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCOCC1CC1 ZINC000088599398 267399963 /nfs/dbraw/zinc/39/99/63/267399963.db2.gz XAWMHNKRYRQIHA-LBPRGKRZSA-N 1 1 321.377 2.280 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCOCC1CC1 ZINC000088599398 267399965 /nfs/dbraw/zinc/39/99/65/267399965.db2.gz XAWMHNKRYRQIHA-LBPRGKRZSA-N 1 1 321.377 2.280 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425520600 269118116 /nfs/dbraw/zinc/11/81/16/269118116.db2.gz YGXRRJWBEQZKPC-CQSZACIVSA-N 1 1 317.349 2.032 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425520600 269118117 /nfs/dbraw/zinc/11/81/17/269118117.db2.gz YGXRRJWBEQZKPC-CQSZACIVSA-N 1 1 317.349 2.032 20 5 DEBDMO CN1C[C@@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)OC1=O ZINC000497240389 269296639 /nfs/dbraw/zinc/29/66/39/269296639.db2.gz PWGUNFSSTIBPGM-HIFRSBDPSA-N 1 1 319.361 2.225 20 5 DEBDMO 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322.361 2.171 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000836718003 650123978 /nfs/dbraw/zinc/12/39/78/650123978.db2.gz STIZLXSNECXUKR-JTQLQIEISA-N 1 1 311.769 2.333 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000836718003 650123979 /nfs/dbraw/zinc/12/39/79/650123979.db2.gz STIZLXSNECXUKR-JTQLQIEISA-N 1 1 311.769 2.333 20 5 DEBDMO CCC(=O)N1CC2(C1)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981564849 635533420 /nfs/dbraw/zinc/53/34/20/635533420.db2.gz AXJSLBRBJLNRDG-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CCC23CCOCC3)c1[N+](=O)[O-] ZINC000894048745 636098882 /nfs/dbraw/zinc/09/88/82/636098882.db2.gz OITVATYHSHTGJA-UHFFFAOYSA-N 1 1 308.334 2.064 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC23CCOCC3)c1[N+](=O)[O-] ZINC000894048745 636098885 /nfs/dbraw/zinc/09/88/85/636098885.db2.gz OITVATYHSHTGJA-UHFFFAOYSA-N 1 1 308.334 2.064 20 5 DEBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 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321.377 2.207 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000827739382 649078632 /nfs/dbraw/zinc/07/86/32/649078632.db2.gz MJYRIVCAMCLVKA-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000827739382 649078635 /nfs/dbraw/zinc/07/86/35/649078635.db2.gz MJYRIVCAMCLVKA-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C=O)CC1 ZINC000827867085 649096660 /nfs/dbraw/zinc/09/66/60/649096660.db2.gz BOJSAOHXOMUHHT-GXDHUFHOSA-N 1 1 303.362 2.162 20 5 DEBDMO C[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000830734878 649489388 /nfs/dbraw/zinc/48/93/88/649489388.db2.gz NVXLOMQFGNGEEH-WFASDCNBSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000830734878 649489392 /nfs/dbraw/zinc/48/93/92/649489392.db2.gz NVXLOMQFGNGEEH-WFASDCNBSA-N 1 1 306.362 2.272 20 5 DEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1F ZINC000847255847 651384875 /nfs/dbraw/zinc/38/48/75/651384875.db2.gz MPNDFNHIUVEKSS-LSDHHAIUSA-N 1 1 321.352 2.481 20 5 DEBDMO COc1cc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000847821606 651420781 /nfs/dbraw/zinc/42/07/81/651420781.db2.gz JIXRVXMXORPRQV-LBPRGKRZSA-N 1 1 322.361 2.410 20 5 DEBDMO CCOCC[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848484150 651462076 /nfs/dbraw/zinc/46/20/76/651462076.db2.gz WIPPLANNFBYIHO-UHFFFAOYSA-N 1 1 304.350 2.384 20 5 DEBDMO CCOCC[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848484150 651462079 /nfs/dbraw/zinc/46/20/79/651462079.db2.gz WIPPLANNFBYIHO-UHFFFAOYSA-N 1 1 304.350 2.384 20 5 DEBDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000848519730 651465977 /nfs/dbraw/zinc/46/59/77/651465977.db2.gz OQPNLSGMHCBRBL-PELKAZGASA-N 1 1 307.306 2.116 20 5 DEBDMO C[N@@H+](C[C@H]1CCCOC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000107670639 651467448 /nfs/dbraw/zinc/46/74/48/651467448.db2.gz JIZYFQCBHYLVSI-GFCCVEGCSA-N 1 1 304.350 2.260 20 5 DEBDMO CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@@H+](C)C1 ZINC000855360338 651682435 /nfs/dbraw/zinc/68/24/35/651682435.db2.gz FBEAWAPMXZLLAY-NSHDSACASA-N 1 1 311.769 2.414 20 5 DEBDMO CCCC[N@H+](CCOC)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000109316991 651917320 /nfs/dbraw/zinc/91/73/20/651917320.db2.gz XMGJWCNCVWCCFQ-UHFFFAOYSA-N 1 1 323.349 2.209 20 5 DEBDMO CCCC[N@@H+](CCOC)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000109316991 651917324 /nfs/dbraw/zinc/91/73/24/651917324.db2.gz XMGJWCNCVWCCFQ-UHFFFAOYSA-N 1 1 323.349 2.209 20 5 DEBDMO CC[N@H+]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000852167645 652356415 /nfs/dbraw/zinc/35/64/15/652356415.db2.gz XMGTWKGNINTDBZ-XJKSGUPXSA-N 1 1 307.394 2.044 20 5 DEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852429841 652400096 /nfs/dbraw/zinc/40/00/96/652400096.db2.gz AELFDCFAVCMCQD-SMDDNHRTSA-N 1 1 305.334 2.182 20 5 DEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852429839 652400144 /nfs/dbraw/zinc/40/01/44/652400144.db2.gz AELFDCFAVCMCQD-FZMZJTMJSA-N 1 1 305.334 2.182 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000110850861 652458007 /nfs/dbraw/zinc/45/80/07/652458007.db2.gz KAMMHRHFEUIBSU-ZDUSSCGKSA-N 1 1 322.361 2.059 20 5 DEBDMO CC[C@@H]([NH2+]C)c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000854153456 652647921 /nfs/dbraw/zinc/64/79/21/652647921.db2.gz NKLFRYUAXRKHAY-LLVKDONJSA-N 1 1 306.322 2.248 20 5 DEBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000155453256 684273233 /nfs/dbraw/zinc/27/32/33/684273233.db2.gz LLEGONCOFKBNIF-YPMHNXCESA-N 1 1 304.350 2.137 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000929092291 693893546 /nfs/dbraw/zinc/89/35/46/693893546.db2.gz RXIIMCHRQPWHNQ-NSHDSACASA-N 1 1 322.365 2.209 20 5 DEBDMO C[N@H+]1C[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000929116107 693899325 /nfs/dbraw/zinc/89/93/25/693899325.db2.gz MNDULCOSZFJCPS-ABAIWWIYSA-N 1 1 304.350 2.010 20 5 DEBDMO C[N@@H+]1C[C@H]2CN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000929213000 693917854 /nfs/dbraw/zinc/91/78/54/693917854.db2.gz VPTZRMVIXHQZKA-AOOOYVTPSA-N 1 1 324.768 2.274 20 5 DEBDMO O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929488752 693966651 /nfs/dbraw/zinc/96/66/51/693966651.db2.gz GFYMILZNUHJDJM-CQSZACIVSA-N 1 1 323.780 2.364 20 5 DEBDMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000860155950 685892900 /nfs/dbraw/zinc/89/29/00/685892900.db2.gz CBOFCDTXKPDMIS-WCQYABFASA-N 1 1 322.296 2.045 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860564152 685939826 /nfs/dbraw/zinc/93/98/26/685939826.db2.gz QUGOKZQQGUBPKZ-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860564152 685939827 /nfs/dbraw/zinc/93/98/27/685939827.db2.gz QUGOKZQQGUBPKZ-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO CC(C)(CCC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[N+](=O)[O-] ZINC000862630537 686343961 /nfs/dbraw/zinc/34/39/61/686343961.db2.gz ZGLSXDKASYBFTF-AWEZNQCLSA-N 1 1 311.426 2.345 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC4(CC3)OCCO4)c2c1 ZINC000865433076 687209152 /nfs/dbraw/zinc/20/91/52/687209152.db2.gz YZQYACFOGXVORU-UHFFFAOYSA-N 1 1 315.329 2.486 20 5 DEBDMO CCC[N@H+]1CC[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865461495 687221293 /nfs/dbraw/zinc/22/12/93/687221293.db2.gz YGWXYRWXQQTUBW-NSHDSACASA-N 1 1 311.357 2.370 20 5 DEBDMO C[C@H]1C[C@@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C[N@H+]1C1CC1 ZINC000865600263 687272460 /nfs/dbraw/zinc/27/24/60/687272460.db2.gz ILPUGLRZRUAKIP-GXSJLCMTSA-N 1 1 309.341 2.263 20 5 DEBDMO CC1(C)OCC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CO1 ZINC000865677960 687298474 /nfs/dbraw/zinc/29/84/74/687298474.db2.gz QRUOPACWYIUDKX-UHFFFAOYSA-N 1 1 303.318 2.128 20 5 DEBDMO C[N@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865679330 687299513 /nfs/dbraw/zinc/29/95/13/687299513.db2.gz PBOTXDUWPWNAPB-ZDUSSCGKSA-N 1 1 301.293 2.011 20 5 DEBDMO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CCC[N@H+](CCF)C3)c21 ZINC000865927345 687381726 /nfs/dbraw/zinc/38/17/26/687381726.db2.gz ALXWKVSVGZGIFO-LLVKDONJSA-N 1 1 319.340 2.384 20 5 DEBDMO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CCC[N@@H+](CCF)C3)c21 ZINC000865927345 687381734 /nfs/dbraw/zinc/38/17/34/687381734.db2.gz ALXWKVSVGZGIFO-LLVKDONJSA-N 1 1 319.340 2.384 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3[C@@H]4OC[C@H]5C[C@H]3C[C@H]45)c2c1 ZINC000866046406 687421624 /nfs/dbraw/zinc/42/16/24/687421624.db2.gz YAVZCVLKZMXDHJ-OORQEUNZSA-N 1 1 311.341 2.400 20 5 DEBDMO C[N@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1(C)C ZINC000866113035 687450868 /nfs/dbraw/zinc/45/08/68/687450868.db2.gz PLOPPGNEGJJKQU-UHFFFAOYSA-N 1 1 303.366 2.392 20 5 DEBDMO COc1cc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000866205813 687491231 /nfs/dbraw/zinc/49/12/31/687491231.db2.gz AMARSMTZAZVZTI-PWSUYJOCSA-N 1 1 309.341 2.273 20 5 DEBDMO CC(=O)c1ccc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866208308 687492573 /nfs/dbraw/zinc/49/25/73/687492573.db2.gz SNGCLAMHFXTACJ-KBPBESRZSA-N 1 1 303.362 2.328 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CC[C@H]21 ZINC000866210149 687493622 /nfs/dbraw/zinc/49/36/22/687493622.db2.gz YLAKJBVTHWSVKK-WCQYABFASA-N 1 1 313.361 2.068 20 5 DEBDMO CC(C)[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[N@H+]1C ZINC000866215675 687495615 /nfs/dbraw/zinc/49/56/15/687495615.db2.gz NDBBBDGVCNDCBZ-OAHLLOKOSA-N 1 1 311.357 2.003 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CCC1(O)CCC1 ZINC000930439505 694162986 /nfs/dbraw/zinc/16/29/86/694162986.db2.gz IRYIFUJUNBLYJM-HNNXBMFYSA-N 1 1 322.405 2.125 20 5 DEBDMO C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000871150853 688735675 /nfs/dbraw/zinc/73/56/75/688735675.db2.gz SXAHXZSQJPIMKX-UHFFFAOYSA-N 1 1 305.378 2.080 20 5 DEBDMO Cn1cc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c([N+](=O)[O-])n1 ZINC000872260215 688966202 /nfs/dbraw/zinc/96/62/02/688966202.db2.gz PMSPBJHKLIKZKA-AWEZNQCLSA-N 1 1 308.382 2.252 20 5 DEBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1O ZINC000872259165 688966305 /nfs/dbraw/zinc/96/63/05/688966305.db2.gz MYPWYKYSLZOXFI-JONQDZQNSA-N 1 1 320.389 2.110 20 5 DEBDMO CC(C)CN(CC1CC[NH+](C)CC1)Cn1nccc1[N+](=O)[O-] ZINC000872744708 689081755 /nfs/dbraw/zinc/08/17/55/689081755.db2.gz XKRIDRSDNWFZFE-UHFFFAOYSA-N 1 1 309.414 2.049 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000930861749 694257492 /nfs/dbraw/zinc/25/74/92/694257492.db2.gz GCFQLTBDBYSDRV-NWDGAFQWSA-N 1 1 306.366 2.426 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000872781160 689092066 /nfs/dbraw/zinc/09/20/66/689092066.db2.gz PPGQMHYLYVMECT-KBPBESRZSA-N 1 1 301.350 2.144 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000872781602 689092678 /nfs/dbraw/zinc/09/26/78/689092678.db2.gz VYPMCYUFYFXMSS-HUUCEWRRSA-N 1 1 313.361 2.211 20 5 DEBDMO COCCn1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000873183508 689178214 /nfs/dbraw/zinc/17/82/14/689178214.db2.gz TWCDALWXLQKEAH-LBPRGKRZSA-N 1 1 304.350 2.289 20 5 DEBDMO COCCn1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000873184590 689178550 /nfs/dbraw/zinc/17/85/50/689178550.db2.gz TWCDALWXLQKEAH-GFCCVEGCSA-N 1 1 304.350 2.289 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874823137 689499945 /nfs/dbraw/zinc/49/99/45/689499945.db2.gz GAMUWEAVBWABNW-QWHCGFSZSA-N 1 1 321.352 2.351 20 5 DEBDMO CCc1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874838059 689511093 /nfs/dbraw/zinc/51/10/93/689511093.db2.gz MHPKYMOHCHXOOY-LSDHHAIUSA-N 1 1 317.389 2.466 20 5 DEBDMO Cc1c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000874849608 689519148 /nfs/dbraw/zinc/51/91/48/689519148.db2.gz KKWQQPMEZUKING-HUUCEWRRSA-N 1 1 303.362 2.212 20 5 DEBDMO CN(C[C@H]1CC1(C)C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000876979517 689988835 /nfs/dbraw/zinc/98/88/35/689988835.db2.gz IROIHJQZJMCLCG-WBMJQRKESA-N 1 1 305.378 2.273 20 5 DEBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877495022 690131169 /nfs/dbraw/zinc/13/11/69/690131169.db2.gz XIZJRJIGVDCCNR-MRXNPFEDSA-N 1 1 305.378 2.170 20 5 DEBDMO CC(=O)N1CCC2(C[NH+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001035626545 690134554 /nfs/dbraw/zinc/13/45/54/690134554.db2.gz NAXZRIXGZPKCPT-UHFFFAOYSA-N 1 1 303.362 2.039 20 5 DEBDMO COC[C@@]1(C)C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CCO1 ZINC000877662776 690182583 /nfs/dbraw/zinc/18/25/83/690182583.db2.gz YBKALRYVEHVDSD-MRXNPFEDSA-N 1 1 308.378 2.449 20 5 DEBDMO COC[C@@]1(C)C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CCO1 ZINC000877662776 690182588 /nfs/dbraw/zinc/18/25/88/690182588.db2.gz YBKALRYVEHVDSD-MRXNPFEDSA-N 1 1 308.378 2.449 20 5 DEBDMO Cc1c(F)nccc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000877691148 690192366 /nfs/dbraw/zinc/19/23/66/690192366.db2.gz IXSGAKXDUCHDFR-INIZCTEOSA-N 1 1 319.336 2.435 20 5 DEBDMO Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877903564 690256930 /nfs/dbraw/zinc/25/69/30/690256930.db2.gz XHTJFIOMXQAOED-GXTWGEPZSA-N 1 1 318.377 2.461 20 5 DEBDMO Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877903565 690257164 /nfs/dbraw/zinc/25/71/64/690257164.db2.gz XHTJFIOMXQAOED-JSGCOSHPSA-N 1 1 318.377 2.461 20 5 DEBDMO C[C@H]1[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000931297334 694359317 /nfs/dbraw/zinc/35/93/17/694359317.db2.gz IBBSRMWTPHGUML-DTWKUNHWSA-N 1 1 312.757 2.462 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000878835676 690510220 /nfs/dbraw/zinc/51/02/20/690510220.db2.gz CTFDUMNWOQZPSD-DVOMOZLQSA-N 1 1 307.394 2.043 20 5 DEBDMO CC(C)(O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000880146967 690823192 /nfs/dbraw/zinc/82/31/92/690823192.db2.gz YSBWBJSEKFTNNK-GFCCVEGCSA-N 1 1 321.377 2.016 20 5 DEBDMO O=C(C[N@@H+]1CCC[C@H](CF)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880234275 690846209 /nfs/dbraw/zinc/84/62/09/690846209.db2.gz FBEQMBFUZNEXIQ-GFCCVEGCSA-N 1 1 321.352 2.165 20 5 DEBDMO O=C(C[N@H+]1CCC[C@H](CF)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880234275 690846211 /nfs/dbraw/zinc/84/62/11/690846211.db2.gz FBEQMBFUZNEXIQ-GFCCVEGCSA-N 1 1 321.352 2.165 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1F ZINC000880581310 690932576 /nfs/dbraw/zinc/93/25/76/690932576.db2.gz AYDRLHYBPXJIFS-CYBMUJFWSA-N 1 1 324.352 2.097 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)cs1 ZINC000880585147 690934513 /nfs/dbraw/zinc/93/45/13/690934513.db2.gz DZSGMVMPXWJTSG-GFCCVEGCSA-N 1 1 312.391 2.020 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cs1 ZINC000880585147 690934517 /nfs/dbraw/zinc/93/45/17/690934517.db2.gz DZSGMVMPXWJTSG-GFCCVEGCSA-N 1 1 312.391 2.020 20 5 DEBDMO CC[NH+](CC)Cc1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000881226608 691052344 /nfs/dbraw/zinc/05/23/44/691052344.db2.gz RNBYRKLXZOSRMF-UHFFFAOYSA-N 1 1 307.329 2.216 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000882961410 691398492 /nfs/dbraw/zinc/39/84/92/691398492.db2.gz MWVDWLKMLSTLFU-IYNGYCSASA-N 1 1 319.361 2.287 20 5 DEBDMO Cc1ccc(NCCNC(=O)c2cccc(C)c2[N+](=O)[O-])[nH+]c1 ZINC000885688363 691928755 /nfs/dbraw/zinc/92/87/55/691928755.db2.gz DAFRDHWXQYHSFN-UHFFFAOYSA-N 1 1 314.345 2.449 20 5 DEBDMO O=[N+]([O-])c1ncccc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000886016634 691984444 /nfs/dbraw/zinc/98/44/44/691984444.db2.gz ILZRUZUULJXXIY-UHFFFAOYSA-N 1 1 304.394 2.440 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000886116172 692006493 /nfs/dbraw/zinc/00/64/93/692006493.db2.gz BVIONTRNODAEJQ-INIZCTEOSA-N 1 1 317.320 2.222 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000886116172 692006496 /nfs/dbraw/zinc/00/64/96/692006496.db2.gz BVIONTRNODAEJQ-INIZCTEOSA-N 1 1 317.320 2.222 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)cc1 ZINC000886571560 692113605 /nfs/dbraw/zinc/11/36/05/692113605.db2.gz ACFMPXHMCQDCLP-UHOFOFEASA-N 1 1 306.362 2.066 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931922636 694507213 /nfs/dbraw/zinc/50/72/13/694507213.db2.gz JRJDMENVLDKKSI-DOTOQJQBSA-N 1 1 312.373 2.373 20 5 DEBDMO O=C(C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000886828046 692202197 /nfs/dbraw/zinc/20/21/97/692202197.db2.gz WIMHYHBMCNOQKE-DOMZBBRYSA-N 1 1 319.361 2.034 20 5 DEBDMO O=C(C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000886828046 692202201 /nfs/dbraw/zinc/20/22/01/692202201.db2.gz WIMHYHBMCNOQKE-DOMZBBRYSA-N 1 1 319.361 2.034 20 5 DEBDMO CC1CC[NH+](Cc2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000887407612 692356620 /nfs/dbraw/zinc/35/66/20/692356620.db2.gz KNICLEJTVDLBIC-UHFFFAOYSA-N 1 1 301.350 2.407 20 5 DEBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889831180 692791986 /nfs/dbraw/zinc/79/19/86/692791986.db2.gz YFGMVAIXJDTYLI-UHFFFAOYSA-N 1 1 319.361 2.047 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](Cc3nccs3)C2)n1 ZINC000932201955 694572945 /nfs/dbraw/zinc/57/29/45/694572945.db2.gz RRPZSRHJHQBWCI-GFCCVEGCSA-N 1 1 321.406 2.203 20 5 DEBDMO Cc1nc(CC2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)no1 ZINC000932239037 694578315 /nfs/dbraw/zinc/57/83/15/694578315.db2.gz YHFQLIOYOCYDSH-UHFFFAOYSA-N 1 1 317.349 2.136 20 5 DEBDMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925252406 693246923 /nfs/dbraw/zinc/24/69/23/693246923.db2.gz KKHQAZDFZMCDJL-GYSYKLTISA-N 1 1 306.366 2.048 20 5 DEBDMO C[C@@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])c3ccccc32)CCO1 ZINC001349968890 1151313087 /nfs/dbraw/zinc/31/30/87/1151313087.db2.gz GUXRMJKGLKVBJI-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])c3ccccc32)CCO1 ZINC001349968890 1151313090 /nfs/dbraw/zinc/31/30/90/1151313090.db2.gz GUXRMJKGLKVBJI-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO CCC[N@@H+]1CCCC[C@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC001332182761 1149831396 /nfs/dbraw/zinc/83/13/96/1149831396.db2.gz GIAMKHFBYOIWDS-ZDUSSCGKSA-N 1 1 307.350 2.298 20 5 DEBDMO CCC[N@H+]1CCCC[C@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC001332182761 1149831400 /nfs/dbraw/zinc/83/14/00/1149831400.db2.gz GIAMKHFBYOIWDS-ZDUSSCGKSA-N 1 1 307.350 2.298 20 5 DEBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCc3[nH+]ccn3CC2)n1 ZINC001167182760 776754789 /nfs/dbraw/zinc/75/47/89/776754789.db2.gz SNVDDEBGUIGYFG-UHFFFAOYSA-N 1 1 307.741 2.211 20 5 DEBDMO COc1nc(C)c(NCc2ccc(N)[nH+]c2C)cc1[N+](=O)[O-] ZINC001167786741 778574279 /nfs/dbraw/zinc/57/42/79/778574279.db2.gz WWKCULFEAWFJIS-UHFFFAOYSA-N 1 1 303.322 2.205 20 5 DEBDMO CC(C)[N@@H+](C)CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001333655982 1150074843 /nfs/dbraw/zinc/07/48/43/1150074843.db2.gz YCCLXXDLLIEHAS-UHFFFAOYSA-N 1 1 318.377 2.199 20 5 DEBDMO COc1c(C)[nH]cc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000824511001 783594221 /nfs/dbraw/zinc/59/42/21/783594221.db2.gz CMUGLNQMBFLIFR-UHFFFAOYSA-N 1 1 317.345 2.232 20 5 DEBDMO COc1c(C)[nH]cc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000824511001 783594227 /nfs/dbraw/zinc/59/42/27/783594227.db2.gz CMUGLNQMBFLIFR-UHFFFAOYSA-N 1 1 317.345 2.232 20 5 DEBDMO CN1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001169008544 785001314 /nfs/dbraw/zinc/00/13/14/785001314.db2.gz SQXANKWVXCOURJ-DJIMGWMZSA-N 1 1 303.406 2.421 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)C1 ZINC001169035767 785010937 /nfs/dbraw/zinc/01/09/37/785010937.db2.gz LQXUEQGTXCPITR-MHORFTMASA-N 1 1 315.417 2.391 20 5 DEBDMO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036458 785011719 /nfs/dbraw/zinc/01/17/19/785011719.db2.gz FXTBDZWKDSVLMM-XHSDSOJGSA-N 1 1 320.389 2.148 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](COc3ccccc3)C2)C1 ZINC001169036072 785012170 /nfs/dbraw/zinc/01/21/70/785012170.db2.gz FGFGWXYJLWEZDS-HLLBOEOZSA-N 1 1 320.389 2.212 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+](C)CCC2OCCO2)c([N+](=O)[O-])c1 ZINC001170352081 786931206 /nfs/dbraw/zinc/93/12/06/786931206.db2.gz LBLWPQQZMXRDCW-LBPRGKRZSA-N 1 1 324.377 2.229 20 5 DEBDMO CN1CC2(C1)CC[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172922550 793533181 /nfs/dbraw/zinc/53/31/81/793533181.db2.gz YPUSVWSFSIYGDN-INIZCTEOSA-N 1 1 315.417 2.480 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2nnc(C)o2)c1F ZINC001173179078 793620193 /nfs/dbraw/zinc/62/01/93/793620193.db2.gz JWTDRMMRSXMETC-QMMMGPOBSA-N 1 1 324.312 2.155 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CCN(C)C)c1F ZINC001173184672 793622070 /nfs/dbraw/zinc/62/20/70/793622070.db2.gz OBKRQVROXQDTHT-NSHDSACASA-N 1 1 313.373 2.167 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)CCN(C)C)c1F ZINC001173184672 793622074 /nfs/dbraw/zinc/62/20/74/793622074.db2.gz OBKRQVROXQDTHT-NSHDSACASA-N 1 1 313.373 2.167 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001173220996 793637638 /nfs/dbraw/zinc/63/76/38/793637638.db2.gz FDWYVHUFIMYLLL-GDLCADMTSA-N 1 1 312.316 2.492 20 5 DEBDMO Cn1cc([C@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)nn1 ZINC001176880727 794520895 /nfs/dbraw/zinc/52/08/95/794520895.db2.gz YVZAOWHZTSGRPA-NSHDSACASA-N 1 1 319.340 2.242 20 5 DEBDMO Cn1cc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)nn1 ZINC001176880727 794520896 /nfs/dbraw/zinc/52/08/96/794520896.db2.gz YVZAOWHZTSGRPA-NSHDSACASA-N 1 1 319.340 2.242 20 5 DEBDMO CCc1ncc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC001178669063 794968170 /nfs/dbraw/zinc/96/81/70/794968170.db2.gz BZJYRAKNBTUJFU-UHFFFAOYSA-N 1 1 316.361 2.474 20 5 DEBDMO C[NH+](C)[C@@H]1CCCC[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001118087771 795151334 /nfs/dbraw/zinc/15/13/34/795151334.db2.gz FQQOQHZSRRQMQD-XHSDSOJGSA-N 1 1 307.394 2.091 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC001118736690 795222001 /nfs/dbraw/zinc/22/20/01/795222001.db2.gz YERYBMRDDIRYHQ-BMWLXYDHSA-N 1 1 303.362 2.209 20 5 DEBDMO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001119946354 795377209 /nfs/dbraw/zinc/37/72/09/795377209.db2.gz BNEJNKIIHQZTQM-VIFPVBQESA-N 1 1 320.798 2.161 20 5 DEBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+]1C ZINC001120971522 795569573 /nfs/dbraw/zinc/56/95/73/795569573.db2.gz BJKCPFZULDICKV-QMMMGPOBSA-N 1 1 321.303 2.243 20 5 DEBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1C[C@H]1F ZINC001122952139 795826348 /nfs/dbraw/zinc/82/63/48/795826348.db2.gz LEKHKQNAGMOKSP-BFHYXJOUSA-N 1 1 308.309 2.070 20 5 DEBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1C[C@H]1F ZINC001122952139 795826358 /nfs/dbraw/zinc/82/63/58/795826358.db2.gz LEKHKQNAGMOKSP-BFHYXJOUSA-N 1 1 308.309 2.070 20 5 DEBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)C(C)=O ZINC001142699360 796764148 /nfs/dbraw/zinc/76/41/48/796764148.db2.gz XGUWYXDNDPSDNR-UHFFFAOYSA-N 1 1 323.352 2.484 20 5 DEBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCS(=O)CC1 ZINC001191602329 797235899 /nfs/dbraw/zinc/23/58/99/797235899.db2.gz YFBXWMXAUBDUKA-UHFFFAOYSA-N 1 1 300.355 2.077 20 5 DEBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCS(=O)CC1 ZINC001191602329 797235904 /nfs/dbraw/zinc/23/59/04/797235904.db2.gz YFBXWMXAUBDUKA-UHFFFAOYSA-N 1 1 300.355 2.077 20 5 DEBDMO C[NH+](C)C1CN(C(=O)c2ccc3oc4ccccc4c(=O)c3c2)C1 ZINC001153416058 797336959 /nfs/dbraw/zinc/33/69/59/797336959.db2.gz UVCZRSJOMBRUSG-UHFFFAOYSA-N 1 1 322.364 2.332 20 5 DEBDMO Cc1[nH+]c(N)ccc1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001156980607 798123127 /nfs/dbraw/zinc/12/31/27/798123127.db2.gz KPKGCGUWFCFEPC-UHFFFAOYSA-N 1 1 310.317 2.436 20 5 DEBDMO CCN(c1cc2ncnc(Cl)c2cc1[N+](=O)[O-])C1C[NH+](C)C1 ZINC001157455169 798209099 /nfs/dbraw/zinc/20/90/99/798209099.db2.gz AMZBMYYJGKOXLR-UHFFFAOYSA-N 1 1 321.768 2.332 20 5 DEBDMO CCC1(CNc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)COC1 ZINC001157547055 798226516 /nfs/dbraw/zinc/22/65/16/798226516.db2.gz ZMRGFCJVSCNNBP-AATRIKPKSA-N 1 1 306.366 2.361 20 5 DEBDMO N[C@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001159790008 798608583 /nfs/dbraw/zinc/60/85/83/798608583.db2.gz ZOVBEEYMEUCNJL-ZDUSSCGKSA-N 1 1 319.340 2.232 20 5 DEBDMO C[N@@H+]1CCO[C@H](CNc2cc(Cl)ccc2/C=C/[N+](=O)[O-])C1 ZINC001162689785 799149058 /nfs/dbraw/zinc/14/90/58/799149058.db2.gz OUWWEPCEQVSUDS-MUBLQREKSA-N 1 1 311.769 2.330 20 5 DEBDMO C[N@H+]1CCO[C@H](CNc2cc(Cl)ccc2/C=C/[N+](=O)[O-])C1 ZINC001162689785 799149063 /nfs/dbraw/zinc/14/90/63/799149063.db2.gz OUWWEPCEQVSUDS-MUBLQREKSA-N 1 1 311.769 2.330 20 5 DEBDMO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)n1 ZINC001163360587 799322267 /nfs/dbraw/zinc/32/22/67/799322267.db2.gz FCEMTLJPQKGTRH-PWSUYJOCSA-N 1 1 323.397 2.233 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3c4ccccc4ncc3[N+](=O)[O-])[C@@H]2C1 ZINC001164380692 799589152 /nfs/dbraw/zinc/58/91/52/799589152.db2.gz ZCNAYIDXFCWPKZ-LNSITVRQSA-N 1 1 312.373 2.317 20 5 DEBDMO O=C(NCCC1(C[NH2+]CC2CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494938 799609433 /nfs/dbraw/zinc/60/94/33/799609433.db2.gz YUFQXQXLZPOKAB-HUUCEWRRSA-N 1 1 323.437 2.108 20 5 DEBDMO COc1cc(C)nc(N2CC[N@@H+](C(C)C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001165198787 799670605 /nfs/dbraw/zinc/67/06/05/799670605.db2.gz AMDLPMONNBFKQQ-GFCCVEGCSA-N 1 1 308.382 2.226 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000933176705 800032716 /nfs/dbraw/zinc/03/27/16/800032716.db2.gz ZHLLCZCFLRLOCW-CHWSQXEVSA-N 1 1 322.361 2.247 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000933217547 800043989 /nfs/dbraw/zinc/04/39/89/800043989.db2.gz LHGASTIDUYBPHN-HNNXBMFYSA-N 1 1 303.362 2.357 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000933491881 800110125 /nfs/dbraw/zinc/11/01/25/800110125.db2.gz QOYRTAFGABXUGW-BXUZGUMPSA-N 1 1 323.368 2.265 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@H]2C[C@@H]2CCOC2)cc1 ZINC000933673539 800158338 /nfs/dbraw/zinc/15/83/38/800158338.db2.gz WIOHHFAJYAJNKV-DOTOQJQBSA-N 1 1 320.389 2.265 20 5 DEBDMO COc1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)nc1 ZINC000934343573 800331140 /nfs/dbraw/zinc/33/11/40/800331140.db2.gz NNSPSFJYHVUYHZ-HNNXBMFYSA-N 1 1 317.349 2.032 20 5 DEBDMO COc1ccc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)nc1 ZINC000934343573 800331148 /nfs/dbraw/zinc/33/11/48/800331148.db2.gz NNSPSFJYHVUYHZ-HNNXBMFYSA-N 1 1 317.349 2.032 20 5 DEBDMO C[N@H+]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1(C)C ZINC000935804953 800775007 /nfs/dbraw/zinc/77/50/07/800775007.db2.gz NCTHVMRSJDPYCS-UHFFFAOYSA-N 1 1 323.368 2.219 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229962831 801342537 /nfs/dbraw/zinc/34/25/37/801342537.db2.gz CQMCOJSJRSCMKY-LLVKDONJSA-N 1 1 300.742 2.348 20 5 DEBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CCC[N@H+](C)CC1 ZINC001230247894 801376218 /nfs/dbraw/zinc/37/62/18/801376218.db2.gz UQOATQJMUKSZCB-ZDUSSCGKSA-N 1 1 307.350 2.416 20 5 DEBDMO C[C@@H]1C[NH2+]CCC[C@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001217990840 802128425 /nfs/dbraw/zinc/12/84/25/802128425.db2.gz VDCBLYAPCLMYNA-NOZJJQNGSA-N 1 1 318.333 2.011 20 5 DEBDMO C[C@H]1CC[NH2+]CC[C@@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001218023167 802132746 /nfs/dbraw/zinc/13/27/46/802132746.db2.gz GXDKSGDNPDRVIL-ZANVPECISA-N 1 1 318.333 2.011 20 5 DEBDMO CC[N@H+]1CCC[C@@H](Oc2ccc(C(=O)OC)c([N+](=O)[O-])c2)C1 ZINC001234049967 802279997 /nfs/dbraw/zinc/27/99/97/802279997.db2.gz FNXGZSIUTDLILU-GFCCVEGCSA-N 1 1 308.334 2.245 20 5 DEBDMO CC[N@H+]1CCC[C@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227094574 803200091 /nfs/dbraw/zinc/20/00/91/803200091.db2.gz DQUSSOUFWVKYAB-NSHDSACASA-N 1 1 318.333 2.107 20 5 DEBDMO Cc1cc(C)c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001228229284 803332843 /nfs/dbraw/zinc/33/28/43/803332843.db2.gz HKVPIPSPAPVOTJ-LNSITVRQSA-N 1 1 304.346 2.395 20 5 DEBDMO Cc1cc(C)c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c([N+](=O)[O-])c1 ZINC001228229284 803332850 /nfs/dbraw/zinc/33/28/50/803332850.db2.gz HKVPIPSPAPVOTJ-LNSITVRQSA-N 1 1 304.346 2.395 20 5 DEBDMO Cc1cc(NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC001346655810 1151011783 /nfs/dbraw/zinc/01/17/83/1151011783.db2.gz HOZNCZDFWSYOKW-TXEJJXNPSA-N 1 1 306.366 2.460 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001526934309 1070373347 /nfs/dbraw/zinc/37/33/47/1070373347.db2.gz HLZLCXNAXVUCFW-NSHDSACASA-N 1 1 309.341 2.209 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001526934309 1070373364 /nfs/dbraw/zinc/37/33/64/1070373364.db2.gz HLZLCXNAXVUCFW-NSHDSACASA-N 1 1 309.341 2.209 20 5 DEBDMO Cc1noc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)c1[N+](=O)[O-] ZINC001460854975 1058529148 /nfs/dbraw/zinc/52/91/48/1058529148.db2.gz AXPMJQWSQUCGCF-OAHLLOKOSA-N 1 1 323.324 2.114 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001464882359 1059221954 /nfs/dbraw/zinc/22/19/54/1059221954.db2.gz WIWQTHYUZRXRAX-UHFFFAOYSA-N 1 1 313.785 2.247 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001467072363 1059573133 /nfs/dbraw/zinc/57/31/33/1059573133.db2.gz ZWBFGXIORZVLDO-NSHDSACASA-N 1 1 322.365 2.161 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001626799537 1078262883 /nfs/dbraw/zinc/26/28/83/1078262883.db2.gz VQXSTNYZZLYACV-VIFPVBQESA-N 1 1 309.753 2.215 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000044564345 1078341262 /nfs/dbraw/zinc/34/12/62/1078341262.db2.gz INGKTZSFOMYKOR-NSHDSACASA-N 1 1 311.769 2.462 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000050116775 1078461040 /nfs/dbraw/zinc/46/10/40/1078461040.db2.gz LBRUVUAALIJFBT-LLVKDONJSA-N 1 1 315.167 2.314 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000050116775 1078461041 /nfs/dbraw/zinc/46/10/41/1078461041.db2.gz LBRUVUAALIJFBT-LLVKDONJSA-N 1 1 315.167 2.314 20 5 DEBDMO CC1(C)C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001620504180 1067178546 /nfs/dbraw/zinc/17/85/46/1067178546.db2.gz LIQWJFXPIFEQFH-GFCCVEGCSA-N 1 1 309.322 2.096 20 5 DEBDMO CC1(C)C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001620504180 1067178550 /nfs/dbraw/zinc/17/85/50/1067178550.db2.gz LIQWJFXPIFEQFH-GFCCVEGCSA-N 1 1 309.322 2.096 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001637200596 1078508038 /nfs/dbraw/zinc/50/80/38/1078508038.db2.gz NMWGHZDEYLKPOH-LLVKDONJSA-N 1 1 306.366 2.236 20 5 DEBDMO C[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001645239901 1078888373 /nfs/dbraw/zinc/88/83/73/1078888373.db2.gz BOEHUFQIRCXLFB-GFCCVEGCSA-N 1 1 311.769 2.318 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC12CCCCC2 ZINC001556684428 1075039059 /nfs/dbraw/zinc/03/90/59/1075039059.db2.gz OEHCOYHLTAOSJX-UHFFFAOYSA-N 1 1 306.366 2.013 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001558875394 1075107643 /nfs/dbraw/zinc/10/76/43/1075107643.db2.gz WIYFLMXYWDTRCL-OAHLLOKOSA-N 1 1 305.378 2.080 20 5 DEBDMO CCCC[N@@H+](CCCO)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001559696536 1075127501 /nfs/dbraw/zinc/12/75/01/1075127501.db2.gz APYSWKDDQVHEDD-UHFFFAOYSA-N 1 1 324.377 2.366 20 5 DEBDMO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC001652150782 1079855052 /nfs/dbraw/zinc/85/50/52/1079855052.db2.gz FSEDUKDFMIDDDA-CQSZACIVSA-N 1 1 315.377 2.323 20 5 DEBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1n[nH]c(=O)n1C ZINC001652756061 1079895826 /nfs/dbraw/zinc/89/58/26/1079895826.db2.gz HCWMGNJIQSSDBR-MNOVXSKESA-N 1 1 319.365 2.101 20 5 DEBDMO Cc1c(C[NH2+]Cc2ccc(S(C)(=O)=O)o2)cccc1[N+](=O)[O-] ZINC001656080140 1080033750 /nfs/dbraw/zinc/03/37/50/1080033750.db2.gz ZBULOFYGPKERTR-UHFFFAOYSA-N 1 1 324.358 2.190 20 5 DEBDMO COC(=O)c1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC001660495879 1080344337 /nfs/dbraw/zinc/34/43/37/1080344337.db2.gz RCFJPJSEWMYRSP-UHFFFAOYSA-N 1 1 315.329 2.375 20 5 DEBDMO CC(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001662018667 1080561625 /nfs/dbraw/zinc/56/16/25/1080561625.db2.gz XCZUCRIXFHKXMQ-QLPKVWCKSA-N 1 1 317.389 2.187 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001673045798 1081733889 /nfs/dbraw/zinc/73/38/89/1081733889.db2.gz COPGENJQSDKCRE-LLVKDONJSA-N 1 1 306.366 2.461 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001293854268 1139049664 /nfs/dbraw/zinc/04/96/64/1139049664.db2.gz ALOKJDGVLDHOPO-SMDDNHRTSA-N 1 1 323.368 2.455 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1NCC[N@H+](C)Cc1ccccc1 ZINC001323090357 1141810563 /nfs/dbraw/zinc/81/05/63/1141810563.db2.gz DTYZOKQMZPGIGB-UHFFFAOYSA-N 1 1 300.362 2.264 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001248962857 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/nfs/dbraw/zinc/78/03/46/355780346.db2.gz NDDOTLNMEZUTFB-UHFFFAOYSA-N 1 1 313.361 2.328 20 5 DEBDMO CC(=O)c1ccc(N2CCC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000142905286 355896373 /nfs/dbraw/zinc/89/63/73/355896373.db2.gz GOFCJHHUNCUQOO-CQSZACIVSA-N 1 1 303.362 2.472 20 5 DEBDMO C[C@H]1Cc2ccccc2C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000179217744 356018152 /nfs/dbraw/zinc/01/81/52/356018152.db2.gz WEJPSRSDHXPEFQ-ZDUSSCGKSA-N 1 1 313.357 2.203 20 5 DEBDMO C[C@@H]1C[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000316863557 356431160 /nfs/dbraw/zinc/43/11/60/356431160.db2.gz VTALHZYRKBKIIM-GHMZBOCLSA-N 1 1 301.350 2.433 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000318615011 356437767 /nfs/dbraw/zinc/43/77/67/356437767.db2.gz JHOQWCRLOJBRSK-NSHDSACASA-N 1 1 308.382 2.097 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081364319 192256590 /nfs/dbraw/zinc/25/65/90/192256590.db2.gz SSEPMZKJYAMLTP-HNNXBMFYSA-N 1 1 319.405 2.328 20 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/nfs/dbraw/zinc/60/38/39/357603839.db2.gz OHPAVFWMYNPNSK-AWEZNQCLSA-N 1 1 321.402 2.021 20 5 DEBDMO NC(=O)c1ccc(C[N@H+]2CCSC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000590758693 357603841 /nfs/dbraw/zinc/60/38/41/357603841.db2.gz OHPAVFWMYNPNSK-AWEZNQCLSA-N 1 1 321.402 2.021 20 5 DEBDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000592369368 357868430 /nfs/dbraw/zinc/86/84/30/357868430.db2.gz SYVALMIAMABPCL-ZDUSSCGKSA-N 1 1 309.341 2.223 20 5 DEBDMO O=[N+]([O-])c1ccc(OC2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000592475746 357883239 /nfs/dbraw/zinc/88/32/39/357883239.db2.gz HLDWYNBXLQLZIL-CYBMUJFWSA-N 1 1 305.378 2.048 20 5 DEBDMO CNC(=O)CC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000179409891 199030951 /nfs/dbraw/zinc/03/09/51/199030951.db2.gz VRHZGSRSHGUFEY-UHFFFAOYSA-N 1 1 317.345 2.423 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593075708 358002415 /nfs/dbraw/zinc/00/24/15/358002415.db2.gz RDWPMPYDUDZQNG-FZMZJTMJSA-N 1 1 323.368 2.075 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593716702 358129045 /nfs/dbraw/zinc/12/90/45/358129045.db2.gz RBTLVPGDFJGPRE-LLVKDONJSA-N 1 1 311.357 2.121 20 5 DEBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595299262 358417007 /nfs/dbraw/zinc/41/70/07/358417007.db2.gz YELWZOROSKFLAH-ZDUSSCGKSA-N 1 1 323.368 2.472 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000595785614 358548529 /nfs/dbraw/zinc/54/85/29/358548529.db2.gz FSTMUCJSUQFWCQ-UKRRQHHQSA-N 1 1 308.382 2.072 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]4C[C@H]4C3)n2)cc1 ZINC000595809127 358553442 /nfs/dbraw/zinc/55/34/42/358553442.db2.gz GLTXAHUYYRNLDF-RYUDHWBXSA-N 1 1 300.318 2.487 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H]4C[C@H]4C3)n2)cc1 ZINC000595809127 358553445 /nfs/dbraw/zinc/55/34/45/358553445.db2.gz GLTXAHUYYRNLDF-RYUDHWBXSA-N 1 1 300.318 2.487 20 5 DEBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CC1(C)C ZINC000595912932 358579038 /nfs/dbraw/zinc/57/90/38/358579038.db2.gz PSACLLRXBKFKIT-GXTWGEPZSA-N 1 1 308.378 2.312 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)Cc1cnc[nH]1 ZINC000596307370 358664521 /nfs/dbraw/zinc/66/45/21/358664521.db2.gz VMDPCXBFMZPXPW-UHFFFAOYSA-N 1 1 304.306 2.049 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596480487 358695657 /nfs/dbraw/zinc/69/56/57/358695657.db2.gz DMZWCCPKJOSIHQ-SNVBAGLBSA-N 1 1 310.329 2.340 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000596553376 358712224 /nfs/dbraw/zinc/71/22/24/358712224.db2.gz QZCCSLCJHRBAOD-ZDUSSCGKSA-N 1 1 301.350 2.015 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000597230785 358863026 /nfs/dbraw/zinc/86/30/26/358863026.db2.gz ZBPUEVKDKXZNON-OAHLLOKOSA-N 1 1 317.389 2.348 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000597603783 358960656 /nfs/dbraw/zinc/96/06/56/358960656.db2.gz DUVVWSFNFUAXII-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598265982 359142207 /nfs/dbraw/zinc/14/22/07/359142207.db2.gz XLVCKFXHFSTWOG-LBPRGKRZSA-N 1 1 321.377 2.151 20 5 DEBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000598560830 359241657 /nfs/dbraw/zinc/24/16/57/359241657.db2.gz NYQCJZVTBJHJQT-AWEZNQCLSA-N 1 1 317.389 2.447 20 5 DEBDMO Cc1c(CC(=O)NC[C@@H]2CCCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000600313219 359719445 /nfs/dbraw/zinc/71/94/45/359719445.db2.gz IWRVDASRQBJPPD-AWEZNQCLSA-N 1 1 319.405 2.294 20 5 DEBDMO CSC[C@@](C)(O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601122161 359930609 /nfs/dbraw/zinc/93/06/09/359930609.db2.gz SLVXNKRVRQPCKN-AWEZNQCLSA-N 1 1 307.375 2.091 20 5 DEBDMO Cc1ccc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000188744503 200298576 /nfs/dbraw/zinc/29/85/76/200298576.db2.gz WKAXMBWJRLMZIF-AWEZNQCLSA-N 1 1 321.421 2.180 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000601188267 359957638 /nfs/dbraw/zinc/95/76/38/359957638.db2.gz FRVWAVPIDUQKLK-LBPRGKRZSA-N 1 1 315.377 2.459 20 5 DEBDMO COC(=O)[C@H](C)CN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601131561 359934692 /nfs/dbraw/zinc/93/46/92/359934692.db2.gz MSQMWPSYEDIKKH-SNVBAGLBSA-N 1 1 303.318 2.388 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601149400 359943142 /nfs/dbraw/zinc/94/31/42/359943142.db2.gz JXONCZJWQVXIJV-LLVKDONJSA-N 1 1 309.341 2.338 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000601662930 360104384 /nfs/dbraw/zinc/10/43/84/360104384.db2.gz VNPCXSGOIBBVGN-OLZOCXBDSA-N 1 1 321.352 2.481 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2cc[nH+]c2C2CC2)c1 ZINC000601958735 360208666 /nfs/dbraw/zinc/20/86/66/360208666.db2.gz JYKCKMFADGWGGA-ZDUSSCGKSA-N 1 1 303.318 2.109 20 5 DEBDMO C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000602114960 360269802 /nfs/dbraw/zinc/26/98/02/360269802.db2.gz ZZOZXSKGEWFOJJ-AWEZNQCLSA-N 1 1 305.378 2.430 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000602787481 360553820 /nfs/dbraw/zinc/55/38/20/360553820.db2.gz YTUHZCMWILNJPQ-OAHLLOKOSA-N 1 1 318.377 2.155 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000602827208 360575022 /nfs/dbraw/zinc/57/50/22/360575022.db2.gz QERLAKZJMSFRCN-AWEZNQCLSA-N 1 1 318.381 2.060 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000602827208 360575023 /nfs/dbraw/zinc/57/50/23/360575023.db2.gz QERLAKZJMSFRCN-AWEZNQCLSA-N 1 1 318.381 2.060 20 5 DEBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000610476481 361405402 /nfs/dbraw/zinc/40/54/02/361405402.db2.gz QKEDXPADVDKOCS-MRVWCRGKSA-N 1 1 322.409 2.354 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[N@H+](CCO)C3CCCC3)nc2c1 ZINC000610581149 361425937 /nfs/dbraw/zinc/42/59/37/361425937.db2.gz GDBKHWWTLJYYOT-UHFFFAOYSA-N 1 1 305.334 2.473 20 5 DEBDMO COc1cccc(C[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000610680873 361444241 /nfs/dbraw/zinc/44/42/41/361444241.db2.gz WKPREVVDHRAKAL-UHFFFAOYSA-N 1 1 304.350 2.240 20 5 DEBDMO Cc1cc[nH+]c(N2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)c1 ZINC000610808829 361469912 /nfs/dbraw/zinc/46/99/12/361469912.db2.gz RNLAJYMPFBYKIJ-UHFFFAOYSA-N 1 1 313.361 2.328 20 5 DEBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCSC1 ZINC000611254222 361563599 /nfs/dbraw/zinc/56/35/99/361563599.db2.gz WFILZVNVPWGOFP-NSHDSACASA-N 1 1 310.375 2.303 20 5 DEBDMO NC(=O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000611254297 361563644 /nfs/dbraw/zinc/56/36/44/361563644.db2.gz TUAOWKXPNCLQAW-ALCCZGGFSA-N 1 1 303.362 2.338 20 5 DEBDMO NC(=O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000611254298 361563800 /nfs/dbraw/zinc/56/38/00/361563800.db2.gz TUAOWKXPNCLQAW-FNORWQNLSA-N 1 1 303.362 2.338 20 5 DEBDMO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCO1 ZINC000611272402 361568312 /nfs/dbraw/zinc/56/83/12/361568312.db2.gz HCPUGVUIRWQGAF-UHFFFAOYSA-N 1 1 322.361 2.367 20 5 DEBDMO CC1(C)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCO1 ZINC000611272402 361568318 /nfs/dbraw/zinc/56/83/18/361568318.db2.gz HCPUGVUIRWQGAF-UHFFFAOYSA-N 1 1 322.361 2.367 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000611297276 361574890 /nfs/dbraw/zinc/57/48/90/361574890.db2.gz XFXPLWAFNNWXNY-SECBINFHSA-N 1 1 301.293 2.337 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611705934 361662743 /nfs/dbraw/zinc/66/27/43/361662743.db2.gz IXMNVLCNSXAHQV-LBPRGKRZSA-N 1 1 315.377 2.316 20 5 DEBDMO C[C@@H]1COCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619719711 363864341 /nfs/dbraw/zinc/86/43/41/363864341.db2.gz YOWIBJVCKXVZTB-GFCCVEGCSA-N 1 1 307.350 2.034 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](O)CC1 ZINC000292998364 223344465 /nfs/dbraw/zinc/34/44/65/223344465.db2.gz CPZLRJRNCWETBY-CQSZACIVSA-N 1 1 321.377 2.079 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000091772523 193105303 /nfs/dbraw/zinc/10/53/03/193105303.db2.gz HUIHQFCYYSQSEG-GFCCVEGCSA-N 1 1 310.350 2.223 20 5 DEBDMO COc1cc(C[N@@H+]2CCC[C@@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000091772523 193105305 /nfs/dbraw/zinc/10/53/05/193105305.db2.gz HUIHQFCYYSQSEG-GFCCVEGCSA-N 1 1 310.350 2.223 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](O)CC2)cccc1[N+](=O)[O-] ZINC000293094811 223393982 /nfs/dbraw/zinc/39/39/82/223393982.db2.gz KPLTUYMHKZHTCN-QWHCGFSZSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](O)CC2)cccc1[N+](=O)[O-] ZINC000293094811 223393984 /nfs/dbraw/zinc/39/39/84/223393984.db2.gz KPLTUYMHKZHTCN-QWHCGFSZSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](O)CC2)cccc1[N+](=O)[O-] ZINC000293094813 223394602 /nfs/dbraw/zinc/39/46/02/223394602.db2.gz KPLTUYMHKZHTCN-STQMWFEESA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](O)CC2)cccc1[N+](=O)[O-] ZINC000293094813 223394603 /nfs/dbraw/zinc/39/46/03/223394603.db2.gz KPLTUYMHKZHTCN-STQMWFEESA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1cccnc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093193621 193213690 /nfs/dbraw/zinc/21/36/90/193213690.db2.gz LISLJAKLTYBUKO-ZDUSSCGKSA-N 1 1 313.361 2.380 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000264944252 204290103 /nfs/dbraw/zinc/29/01/03/204290103.db2.gz IKBZDJJONKDHIQ-UHFFFAOYSA-N 1 1 303.362 2.214 20 5 DEBDMO CC[N@H+]1CC[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000266059674 205065780 /nfs/dbraw/zinc/06/57/80/205065780.db2.gz AMAPRNRDNLXPFH-JSGCOSHPSA-N 1 1 307.394 2.423 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](CC)C[C@H]1C ZINC000288328327 220087747 /nfs/dbraw/zinc/08/77/47/220087747.db2.gz IECAAYKRGHWJAW-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000288328327 220087749 /nfs/dbraw/zinc/08/77/49/220087749.db2.gz IECAAYKRGHWJAW-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO Cn1cc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC000267015117 205747714 /nfs/dbraw/zinc/74/77/14/205747714.db2.gz ISURKUCPHKFUJQ-LLVKDONJSA-N 1 1 304.325 2.457 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000456364894 247130897 /nfs/dbraw/zinc/13/08/97/247130897.db2.gz YPHBEWNRYLWDQH-AWEZNQCLSA-N 1 1 305.378 2.460 20 5 DEBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000267793370 206285128 /nfs/dbraw/zinc/28/51/28/206285128.db2.gz JUIKTSQADTXSON-TXEJJXNPSA-N 1 1 303.362 2.072 20 5 DEBDMO CC1=CC[N@@H+](CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000492557215 249089091 /nfs/dbraw/zinc/08/90/91/249089091.db2.gz BTHLIFDJOJANMA-WAYWQWQTSA-N 1 1 315.373 2.376 20 5 DEBDMO CC(C)[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000493565974 249325732 /nfs/dbraw/zinc/32/57/32/249325732.db2.gz YQJNVCROBKWWCL-WAVCKPEOSA-N 1 1 317.389 2.407 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159471906 197356185 /nfs/dbraw/zinc/35/61/85/197356185.db2.gz HIDDYULPUQEUNO-XUJVJEKNSA-N 1 1 321.377 2.015 20 5 DEBDMO COC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCO1 ZINC000285204667 218332628 /nfs/dbraw/zinc/33/26/28/218332628.db2.gz FOSWMOZCZFCCJN-KBPBESRZSA-N 1 1 316.304 2.157 20 5 DEBDMO O=C(CC[N@@H+]1CCCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411225572 227365589 /nfs/dbraw/zinc/36/55/89/227365589.db2.gz NESROXVWMRWTOZ-CQSZACIVSA-N 1 1 321.377 2.160 20 5 DEBDMO CC(C)[N@H+](CC(=O)NCC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350023 184295362 /nfs/dbraw/zinc/29/53/62/184295362.db2.gz VSMRYVSUDQVJDG-UHFFFAOYSA-N 1 1 305.378 2.331 20 5 DEBDMO CC(C)[N@@H+](CC(=O)NCC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350023 184295364 /nfs/dbraw/zinc/29/53/64/184295364.db2.gz VSMRYVSUDQVJDG-UHFFFAOYSA-N 1 1 305.378 2.331 20 5 DEBDMO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000294564826 224091667 /nfs/dbraw/zinc/09/16/67/224091667.db2.gz JPCANOJUUFPAHO-AWEZNQCLSA-N 1 1 321.421 2.459 20 5 DEBDMO C[N@@H+]1CCC[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158776914 197301100 /nfs/dbraw/zinc/30/11/00/197301100.db2.gz BIJDQZAUICEYQO-YOEHRIQHSA-N 1 1 319.405 2.390 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158776914 197301101 /nfs/dbraw/zinc/30/11/01/197301101.db2.gz BIJDQZAUICEYQO-YOEHRIQHSA-N 1 1 319.405 2.390 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543642956 285300745 /nfs/dbraw/zinc/30/07/45/285300745.db2.gz UTHUGTXDJINSPW-JTQLQIEISA-N 1 1 310.329 2.197 20 5 DEBDMO CCC(=O)CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000290042019 221396176 /nfs/dbraw/zinc/39/61/76/221396176.db2.gz OCAXIVPPWKBDLS-UHFFFAOYSA-N 1 1 305.378 2.476 20 5 DEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000355628572 133038534 /nfs/dbraw/zinc/03/85/34/133038534.db2.gz ZWDQRIMVGFEVBD-ZDUSSCGKSA-N 1 1 322.361 2.377 20 5 DEBDMO CC(=O)N[C@H](C)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000360318939 133175796 /nfs/dbraw/zinc/17/57/96/133175796.db2.gz UCYSXEUSMXLYBW-LLVKDONJSA-N 1 1 323.368 2.471 20 5 DEBDMO COc1ccncc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376508243 133297853 /nfs/dbraw/zinc/29/78/53/133297853.db2.gz SCWZRORLTKKATI-UHFFFAOYSA-N 1 1 317.349 2.032 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000377533234 133333001 /nfs/dbraw/zinc/33/30/01/133333001.db2.gz GWDZWRSEKBANKY-CQSZACIVSA-N 1 1 319.361 2.416 20 5 DEBDMO O=C1NCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000564666825 292104416 /nfs/dbraw/zinc/10/44/16/292104416.db2.gz QBECJKYTOJUPAE-HUUCEWRRSA-N 1 1 317.389 2.300 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000565028887 292128110 /nfs/dbraw/zinc/12/81/10/292128110.db2.gz PRDHTWHLOXJVOT-NSHDSACASA-N 1 1 324.406 2.012 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000565028887 292128111 /nfs/dbraw/zinc/12/81/11/292128111.db2.gz PRDHTWHLOXJVOT-NSHDSACASA-N 1 1 324.406 2.012 20 5 DEBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000190309784 145040639 /nfs/dbraw/zinc/04/06/39/145040639.db2.gz FWFZFICRKNUKCH-UHFFFAOYSA-N 1 1 318.402 2.416 20 5 DEBDMO O=C(C[N@@H+]1CC[C@H]2OCCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000246821818 145115469 /nfs/dbraw/zinc/11/54/69/145115469.db2.gz SGEQBEAPNODDNC-SWLSCSKDSA-N 1 1 319.361 2.034 20 5 DEBDMO O=C(C[N@H+]1CC[C@H]2OCCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000246821818 145115470 /nfs/dbraw/zinc/11/54/70/145115470.db2.gz SGEQBEAPNODDNC-SWLSCSKDSA-N 1 1 319.361 2.034 20 5 DEBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000248439536 145155045 /nfs/dbraw/zinc/15/50/45/145155045.db2.gz CMXVVVWEWXZIOV-MCIONIFRSA-N 1 1 308.378 2.312 20 5 DEBDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000251874583 145196936 /nfs/dbraw/zinc/19/69/36/145196936.db2.gz UGRUGHLDGMGEJM-BXKDBHETSA-N 1 1 312.753 2.489 20 5 DEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000251874583 145196938 /nfs/dbraw/zinc/19/69/38/145196938.db2.gz UGRUGHLDGMGEJM-BXKDBHETSA-N 1 1 312.753 2.489 20 5 DEBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+]1CCCC[C@@H]1C ZINC000344988440 404486263 /nfs/dbraw/zinc/48/62/63/404486263.db2.gz NKXWBFCGXHHQOY-RYUDHWBXSA-N 1 1 320.393 2.170 20 5 DEBDMO CCn1cnnc1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344878234 145946736 /nfs/dbraw/zinc/94/67/36/145946736.db2.gz PWWBEZXWEUPCMP-KPKJPENVSA-N 1 1 301.350 2.399 20 5 DEBDMO C[C@H]1[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000346407598 146077235 /nfs/dbraw/zinc/07/72/35/146077235.db2.gz MPOKUHAWHAJSRJ-JSGCOSHPSA-N 1 1 319.405 2.471 20 5 DEBDMO C[N@H+](CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000348008191 146210861 /nfs/dbraw/zinc/21/08/61/146210861.db2.gz MBKAITQSRFKAMI-NSHDSACASA-N 1 1 313.354 2.110 20 5 DEBDMO C[N@@H+](CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000348008191 146210863 /nfs/dbraw/zinc/21/08/63/146210863.db2.gz MBKAITQSRFKAMI-NSHDSACASA-N 1 1 313.354 2.110 20 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147014391 /nfs/dbraw/zinc/01/43/91/147014391.db2.gz JWXSCKKMQVWXOX-ZIAGYGMSSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356975197 147014393 /nfs/dbraw/zinc/01/43/93/147014393.db2.gz JWXSCKKMQVWXOX-ZIAGYGMSSA-N 1 1 307.394 2.388 20 5 DEBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CC(C)C2)cc1[N+](=O)[O-] ZINC000565431464 292161480 /nfs/dbraw/zinc/16/14/80/292161480.db2.gz IZZLXKIYLQASGC-CHWSQXEVSA-N 1 1 305.378 2.421 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000371820729 148143951 /nfs/dbraw/zinc/14/39/51/148143951.db2.gz OPNUHSAICWWIOJ-CYBMUJFWSA-N 1 1 301.350 2.015 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000371820729 148143954 /nfs/dbraw/zinc/14/39/54/148143954.db2.gz OPNUHSAICWWIOJ-CYBMUJFWSA-N 1 1 301.350 2.015 20 5 DEBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000374362863 148236521 /nfs/dbraw/zinc/23/65/21/148236521.db2.gz GUNCNDNAFQDNEV-BDJLRTHQSA-N 1 1 322.361 2.234 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000374400873 148242664 /nfs/dbraw/zinc/24/26/64/148242664.db2.gz PSAMBBMTYJVPKW-KGLIPLIRSA-N 1 1 306.362 2.332 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000375180564 148340727 /nfs/dbraw/zinc/34/07/27/148340727.db2.gz FDPXHFRGZZMUFU-UHFFFAOYSA-N 1 1 306.362 2.476 20 5 DEBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000073992913 401726956 /nfs/dbraw/zinc/72/69/56/401726956.db2.gz YNQMLZZWWMIOPG-OVPGCVMQSA-N 1 1 315.373 2.303 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000127559526 401739819 /nfs/dbraw/zinc/73/98/19/401739819.db2.gz OSOKQAYVSWZHOW-OCCSQVGLSA-N 1 1 317.389 2.269 20 5 DEBDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000126483901 401697101 /nfs/dbraw/zinc/69/71/01/401697101.db2.gz FDBUSCJNQYQSAL-JTQLQIEISA-N 1 1 311.407 2.267 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000115435015 401827711 /nfs/dbraw/zinc/82/77/11/401827711.db2.gz WLXDBLITFKDEEX-VSGCLNPGSA-N 1 1 317.389 2.408 20 5 DEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000115440987 401828660 /nfs/dbraw/zinc/82/86/60/401828660.db2.gz GKUYHFPSGLBBLG-XVJNWHFHSA-N 1 1 317.389 2.408 20 5 DEBDMO CCCC[N@@H+](CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027272990 401844378 /nfs/dbraw/zinc/84/43/78/401844378.db2.gz BBMQOQHGHDXIQR-UHFFFAOYSA-N 1 1 323.349 2.384 20 5 DEBDMO Cc1[nH+]cn(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1C ZINC000117339397 401874955 /nfs/dbraw/zinc/87/49/55/401874955.db2.gz UTVWAUYSIHDVQO-UHFFFAOYSA-N 1 1 316.317 2.406 20 5 DEBDMO C[C@@H]1C[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000133544108 401890152 /nfs/dbraw/zinc/89/01/52/401890152.db2.gz MPTLORWOWPMZDJ-BDAKNGLRSA-N 1 1 307.379 2.341 20 5 DEBDMO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000136167362 401961789 /nfs/dbraw/zinc/96/17/89/401961789.db2.gz XJRNTDNQVZSECV-SMDDNHRTSA-N 1 1 322.361 2.197 20 5 DEBDMO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000136167362 401961792 /nfs/dbraw/zinc/96/17/92/401961792.db2.gz XJRNTDNQVZSECV-SMDDNHRTSA-N 1 1 322.361 2.197 20 5 DEBDMO CC(C)[NH+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000136335681 401966292 /nfs/dbraw/zinc/96/62/92/401966292.db2.gz RTBLQEWBLWTARC-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000089938513 401975643 /nfs/dbraw/zinc/97/56/43/401975643.db2.gz BZXSBQSYGYAUDL-LBPRGKRZSA-N 1 1 309.391 2.279 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000089938513 401975646 /nfs/dbraw/zinc/97/56/46/401975646.db2.gz BZXSBQSYGYAUDL-LBPRGKRZSA-N 1 1 309.391 2.279 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000135600324 401947577 /nfs/dbraw/zinc/94/75/77/401947577.db2.gz ASIZFRBAGWRMGG-UHFFFAOYSA-N 1 1 306.362 2.019 20 5 DEBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCN1CCCC1=O ZINC000093320211 402014447 /nfs/dbraw/zinc/01/44/47/402014447.db2.gz XIMIAXBDRKBZSN-QPJJXVBHSA-N 1 1 303.362 2.162 20 5 DEBDMO Cn1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534385 402016302 /nfs/dbraw/zinc/01/63/02/402016302.db2.gz CKEOUTJTFNUZRI-ZDUSSCGKSA-N 1 1 301.350 2.015 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1(O)CCCC1 ZINC000152074517 402074170 /nfs/dbraw/zinc/07/41/70/402074170.db2.gz DWLSGADOFNBBGO-LBPRGKRZSA-N 1 1 321.377 2.159 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC2(CCC2)C1 ZINC000122968571 402103992 /nfs/dbraw/zinc/10/39/92/402103992.db2.gz VPCIPXHFUKYHBE-UHFFFAOYSA-N 1 1 319.361 2.418 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC2(CCC2)C1 ZINC000122968571 402103994 /nfs/dbraw/zinc/10/39/94/402103994.db2.gz VPCIPXHFUKYHBE-UHFFFAOYSA-N 1 1 319.361 2.418 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000153069672 402125317 /nfs/dbraw/zinc/12/53/17/402125317.db2.gz VOYFUPAEGGGZLE-CJNGLKHVSA-N 1 1 306.362 2.475 20 5 DEBDMO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153616395 402156890 /nfs/dbraw/zinc/15/68/90/402156890.db2.gz FKURSWNTVOITPA-GFCCVEGCSA-N 1 1 311.769 2.414 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000067387162 402158467 /nfs/dbraw/zinc/15/84/67/402158467.db2.gz MFRIUMAWXLVLFM-ZDUSSCGKSA-N 1 1 306.362 2.475 20 5 DEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000067701470 402168485 /nfs/dbraw/zinc/16/84/85/402168485.db2.gz KXUVBPNKOCWIRV-LLVKDONJSA-N 1 1 323.418 2.286 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070073416 402256872 /nfs/dbraw/zinc/25/68/72/402256872.db2.gz UXHZKPBGUXMNPF-JTQLQIEISA-N 1 1 311.769 2.320 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000126177331 402268495 /nfs/dbraw/zinc/26/84/95/402268495.db2.gz NXZJIFRMPJMTNG-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000126177331 402268498 /nfs/dbraw/zinc/26/84/98/402268498.db2.gz NXZJIFRMPJMTNG-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000217818879 402293832 /nfs/dbraw/zinc/29/38/32/402293832.db2.gz OOUOBKDWPIIHDC-SECBINFHSA-N 1 1 311.769 2.461 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CCn1cc(Br)c([N+](=O)[O-])n1 ZINC000234318491 402359867 /nfs/dbraw/zinc/35/98/67/402359867.db2.gz PHYLISGRLGYIJP-SECBINFHSA-N 1 1 317.187 2.428 20 5 DEBDMO CSc1cccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000186579859 402443925 /nfs/dbraw/zinc/44/39/25/402443925.db2.gz CPGYATCQNVYXEX-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO COc1cc(CN(C)C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC000421410963 286217745 /nfs/dbraw/zinc/21/77/45/286217745.db2.gz PZCYGPUFPPNRIU-CYBMUJFWSA-N 1 1 323.393 2.138 20 5 DEBDMO Cc1c(CC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000245908272 402496136 /nfs/dbraw/zinc/49/61/36/402496136.db2.gz CSYSEWCORUATEJ-DOMZBBRYSA-N 1 1 319.405 2.244 20 5 DEBDMO COC(=O)[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000171059230 402553155 /nfs/dbraw/zinc/55/31/55/402553155.db2.gz QYCYIEDJCVOTFW-ZDUSSCGKSA-N 1 1 322.361 2.249 20 5 DEBDMO COc1cc(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000362183052 286218967 /nfs/dbraw/zinc/21/89/67/286218967.db2.gz RSDPVVUIYGUHFY-GHMZBOCLSA-N 1 1 311.357 2.267 20 5 DEBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000179137216 402575281 /nfs/dbraw/zinc/57/52/81/402575281.db2.gz GYFLDSDUSRXDNQ-LBPRGKRZSA-N 1 1 308.334 2.131 20 5 DEBDMO COc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000247328963 402563969 /nfs/dbraw/zinc/56/39/69/402563969.db2.gz INOHPACYMIGWDV-WCQYABFASA-N 1 1 321.377 2.016 20 5 DEBDMO COc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247328956 402564198 /nfs/dbraw/zinc/56/41/98/402564198.db2.gz INOHPACYMIGWDV-DGCLKSJQSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+](C)C1CC1 ZINC000171218092 402568180 /nfs/dbraw/zinc/56/81/80/402568180.db2.gz KZSYJGKLNKJBJM-JTQLQIEISA-N 1 1 318.377 2.374 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000566413492 292236547 /nfs/dbraw/zinc/23/65/47/292236547.db2.gz GPFIGMITQFPTQE-CYBMUJFWSA-N 1 1 316.361 2.326 20 5 DEBDMO C[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1CO ZINC000190449796 402601852 /nfs/dbraw/zinc/60/18/52/402601852.db2.gz HJVDMLOFRWPCAG-XHDPSFHLSA-N 1 1 317.345 2.453 20 5 DEBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@@H]1C ZINC000249388048 402627965 /nfs/dbraw/zinc/62/79/65/402627965.db2.gz QFDRVNNBUCFYGJ-QEJZJMRPSA-N 1 1 310.398 2.053 20 5 DEBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000171768651 402620346 /nfs/dbraw/zinc/62/03/46/402620346.db2.gz MILHZPZWINDCDD-CYBMUJFWSA-N 1 1 320.393 2.078 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255385565 402685876 /nfs/dbraw/zinc/68/58/76/402685876.db2.gz ORCAOJVYWMHQJZ-CFYYFVFUSA-N 1 1 303.362 2.209 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000174485984 402743228 /nfs/dbraw/zinc/74/32/28/402743228.db2.gz WEADLNQEDACMFL-LBPRGKRZSA-N 1 1 321.377 2.017 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183572412 402777208 /nfs/dbraw/zinc/77/72/08/402777208.db2.gz WUBRIBUKSDKISP-GFCCVEGCSA-N 1 1 321.381 2.089 20 5 DEBDMO C[C@H](NC(=O)NCC1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272112055 402898621 /nfs/dbraw/zinc/89/86/21/402898621.db2.gz QYPRMQHFNIVLNG-LBPRGKRZSA-N 1 1 318.377 2.217 20 5 DEBDMO Cc1ccc(C[N@H+](C)[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000279417122 402940572 /nfs/dbraw/zinc/94/05/72/402940572.db2.gz MUWKSGPORKIHRP-CQSZACIVSA-N 1 1 307.394 2.056 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000272482028 402942577 /nfs/dbraw/zinc/94/25/77/402942577.db2.gz BCSMFAZOWBQBBR-AWEZNQCLSA-N 1 1 316.361 2.192 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000265716562 402943152 /nfs/dbraw/zinc/94/31/52/402943152.db2.gz JFQVCOLEWFKAPA-UHFFFAOYSA-N 1 1 307.350 2.278 20 5 DEBDMO COC[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000265755695 402946475 /nfs/dbraw/zinc/94/64/75/402946475.db2.gz GFAWPWAPJVKGFA-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO COCCCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272525933 402948546 /nfs/dbraw/zinc/94/85/46/402948546.db2.gz LZEZRAXLMUYPQY-HNNXBMFYSA-N 1 1 318.377 2.434 20 5 DEBDMO C[C@H](NC(=O)NCC[N@@H+]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000280017039 402966510 /nfs/dbraw/zinc/96/65/10/402966510.db2.gz SWWHZQNAGKUKLM-ZDUSSCGKSA-N 1 1 318.377 2.217 20 5 DEBDMO C[C@@H](NC(=O)NCC[N@@H+]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000280017036 402966654 /nfs/dbraw/zinc/96/66/54/402966654.db2.gz SWWHZQNAGKUKLM-CYBMUJFWSA-N 1 1 318.377 2.217 20 5 DEBDMO CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000266192670 402967654 /nfs/dbraw/zinc/96/76/54/402967654.db2.gz VIUBZDOMXFKUQF-VIFPVBQESA-N 1 1 313.304 2.039 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCCCO1 ZINC000266745954 402988275 /nfs/dbraw/zinc/98/82/75/402988275.db2.gz RFXPUQHSXKYCMU-IUODEOHRSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000266745954 402988276 /nfs/dbraw/zinc/98/82/76/402988276.db2.gz RFXPUQHSXKYCMU-IUODEOHRSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000273343496 402996231 /nfs/dbraw/zinc/99/62/31/402996231.db2.gz AZEMVWXZTYKCAA-UWVGGRQHSA-N 1 1 322.340 2.481 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c(F)c1 ZINC000267031168 403009667 /nfs/dbraw/zinc/00/96/67/403009667.db2.gz MSRJBSOAMHYOOH-HNNXBMFYSA-N 1 1 323.368 2.031 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c(F)c1 ZINC000267031168 403009670 /nfs/dbraw/zinc/00/96/70/403009670.db2.gz MSRJBSOAMHYOOH-HNNXBMFYSA-N 1 1 323.368 2.031 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000274146893 403030717 /nfs/dbraw/zinc/03/07/17/403030717.db2.gz ICQJGYWEBLHCEY-JSGCOSHPSA-N 1 1 315.377 2.261 20 5 DEBDMO Cc1cccc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000275436741 403102663 /nfs/dbraw/zinc/10/26/63/403102663.db2.gz JMDYOSKWDQCLAP-ZDUSSCGKSA-N 1 1 307.394 2.185 20 5 DEBDMO CCOCCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000276294540 403161152 /nfs/dbraw/zinc/16/11/52/403161152.db2.gz UOZANTWFVTVCKW-UHFFFAOYSA-N 1 1 312.366 2.088 20 5 DEBDMO CCOCCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000276294540 403161154 /nfs/dbraw/zinc/16/11/54/403161154.db2.gz UOZANTWFVTVCKW-UHFFFAOYSA-N 1 1 312.366 2.088 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000269785347 403166069 /nfs/dbraw/zinc/16/60/69/403166069.db2.gz HVFIGGARKOPWPB-XQQFMLRXSA-N 1 1 321.377 2.157 20 5 DEBDMO CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@H+]1CCOC ZINC000270881085 403235062 /nfs/dbraw/zinc/23/50/62/403235062.db2.gz DSVXNVQMPNQTJK-AWEZNQCLSA-N 1 1 322.409 2.235 20 5 DEBDMO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2O1 ZINC000292123575 403298779 /nfs/dbraw/zinc/29/87/79/403298779.db2.gz AQCXYJRWYIGOLJ-GFCCVEGCSA-N 1 1 302.334 2.074 20 5 DEBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2O1 ZINC000292123575 403298785 /nfs/dbraw/zinc/29/87/85/403298785.db2.gz AQCXYJRWYIGOLJ-GFCCVEGCSA-N 1 1 302.334 2.074 20 5 DEBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000342660885 403299299 /nfs/dbraw/zinc/29/92/99/403299299.db2.gz GJGOBTANXLAQSA-UHFFFAOYSA-N 1 1 322.409 2.270 20 5 DEBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000271068311 403260390 /nfs/dbraw/zinc/26/03/90/403260390.db2.gz UXLJQEZHPQAYCW-UMVBOHGHSA-N 1 1 308.378 2.312 20 5 DEBDMO CC(=O)c1cc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000284946092 403273277 /nfs/dbraw/zinc/27/32/77/403273277.db2.gz JOSIUBSEEFSNOR-BLLLJJGKSA-N 1 1 303.362 2.328 20 5 DEBDMO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1O ZINC000271234765 403282456 /nfs/dbraw/zinc/28/24/56/403282456.db2.gz ATCMMSAIZNNOOY-JOYOIKCWSA-N 1 1 316.304 2.399 20 5 DEBDMO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1O ZINC000271234765 403282457 /nfs/dbraw/zinc/28/24/57/403282457.db2.gz ATCMMSAIZNNOOY-JOYOIKCWSA-N 1 1 316.304 2.399 20 5 DEBDMO COc1ccc(OCCN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000330595943 403285696 /nfs/dbraw/zinc/28/56/96/403285696.db2.gz RGQQMWJOMOHYSW-OLZOCXBDSA-N 1 1 323.393 2.007 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000330620817 403291293 /nfs/dbraw/zinc/29/12/93/403291293.db2.gz AQWNVEKSVQNJIY-NWDGAFQWSA-N 1 1 305.378 2.322 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000330620817 403291299 /nfs/dbraw/zinc/29/12/99/403291299.db2.gz AQWNVEKSVQNJIY-NWDGAFQWSA-N 1 1 305.378 2.322 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCCCO1 ZINC000342683523 403307421 /nfs/dbraw/zinc/30/74/21/403307421.db2.gz ZTVSDTYXJSUPRW-OLZOCXBDSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCCO1 ZINC000342683523 403307426 /nfs/dbraw/zinc/30/74/26/403307426.db2.gz ZTVSDTYXJSUPRW-OLZOCXBDSA-N 1 1 321.377 2.423 20 5 DEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292257406 403336440 /nfs/dbraw/zinc/33/64/40/403336440.db2.gz PIEVSWIXMLLRNI-PFWMLDTASA-N 1 1 315.373 2.162 20 5 DEBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000331280227 403368470 /nfs/dbraw/zinc/36/84/70/403368470.db2.gz HYTHKIRKNBUOIE-JMSVASOKSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000331280227 403368472 /nfs/dbraw/zinc/36/84/72/403368472.db2.gz HYTHKIRKNBUOIE-JMSVASOKSA-N 1 1 321.377 2.015 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342919387 403396399 /nfs/dbraw/zinc/39/63/99/403396399.db2.gz APVWSICTOWNKQI-LLVKDONJSA-N 1 1 316.361 2.290 20 5 DEBDMO CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CCC[N@@H+](C)C1 ZINC000342936783 403402957 /nfs/dbraw/zinc/40/29/57/403402957.db2.gz YYQWSHXHMXMXGM-LLVKDONJSA-N 1 1 316.361 2.242 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293218941 403418595 /nfs/dbraw/zinc/41/85/95/403418595.db2.gz RPXHQIDXYWTXCG-JKSUJKDBSA-N 1 1 308.378 2.375 20 5 DEBDMO Cc1c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000286024265 403433020 /nfs/dbraw/zinc/43/30/20/403433020.db2.gz QBIRKGPGFBJNJF-CZUORRHYSA-N 1 1 319.405 2.198 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000286046651 403437710 /nfs/dbraw/zinc/43/77/10/403437710.db2.gz ANHUBBBXZIFHGJ-LLVKDONJSA-N 1 1 324.381 2.227 20 5 DEBDMO NC(=O)c1cccc(NC[C@@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000343089088 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WTRUOTOZIQSRMC-VXGBXAGGSA-N 1 1 321.377 2.158 20 5 DEBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332205211 403514854 /nfs/dbraw/zinc/51/48/54/403514854.db2.gz IOUGENFKVBOXJB-UEKVPHQBSA-N 1 1 318.377 2.452 20 5 DEBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332205211 403514855 /nfs/dbraw/zinc/51/48/55/403514855.db2.gz IOUGENFKVBOXJB-UEKVPHQBSA-N 1 1 318.377 2.452 20 5 DEBDMO Cc1cccc(NCCNC(=O)c2csc([N+](=O)[O-])c2)[nH+]1 ZINC000345870628 403516080 /nfs/dbraw/zinc/51/60/80/403516080.db2.gz QARSRXDDOGZLTL-UHFFFAOYSA-N 1 1 306.347 2.202 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345880538 403519064 /nfs/dbraw/zinc/51/90/64/403519064.db2.gz QTXWGKHMXRVRPM-ZDUSSCGKSA-N 1 1 322.409 2.318 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000346775698 403601529 /nfs/dbraw/zinc/60/15/29/403601529.db2.gz RDHRFFRDGLEFEN-QWHCGFSZSA-N 1 1 305.378 2.458 20 5 DEBDMO CC[C@@H](C)[N@@H+](CCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000287494588 403610147 /nfs/dbraw/zinc/61/01/47/403610147.db2.gz SYPQNQBMJZQRIN-GFCCVEGCSA-N 1 1 312.366 2.075 20 5 DEBDMO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)CC[N@H+]1CCOC ZINC000301446103 403630126 /nfs/dbraw/zinc/63/01/26/403630126.db2.gz ZHSMXVXMMGTHGS-AWEZNQCLSA-N 1 1 307.394 2.450 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347253913 403638048 /nfs/dbraw/zinc/63/80/48/403638048.db2.gz CFNXLYBISGDMTR-UHFFFAOYSA-N 1 1 307.285 2.061 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347273947 403644945 /nfs/dbraw/zinc/64/49/45/403644945.db2.gz TYMATAWNMUZFHV-UHFFFAOYSA-N 1 1 310.329 2.292 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+](C)C2CCCC2)n1 ZINC000287758882 403660950 /nfs/dbraw/zinc/66/09/50/403660950.db2.gz HJUYGXOHELEULI-UHFFFAOYSA-N 1 1 322.365 2.063 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000347320306 403662673 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YSXHDJCEBQDEPT-RISCZKNCSA-N 1 1 317.345 2.247 20 5 DEBDMO COc1ccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1F ZINC000341019021 403738072 /nfs/dbraw/zinc/73/80/72/403738072.db2.gz RLUMOOQMXLUBNU-SECBINFHSA-N 1 1 308.313 2.327 20 5 DEBDMO C[C@@H]1Cc2[nH+]cn(CCn3cc([N+](=O)[O-])ccc3=O)c2C[C@H]1C ZINC000295045760 403741030 /nfs/dbraw/zinc/74/10/30/403741030.db2.gz ARFSCUWRAMEZJE-VXGBXAGGSA-N 1 1 316.361 2.024 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000361715205 403819888 /nfs/dbraw/zinc/81/98/88/403819888.db2.gz YTVYTZUFYOQVEP-XHDPSFHLSA-N 1 1 321.352 2.290 20 5 DEBDMO CCC[C@@]1(CO)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000288933443 403795964 /nfs/dbraw/zinc/79/59/64/403795964.db2.gz WBXORVQKQYRQSH-MRXNPFEDSA-N 1 1 308.378 2.458 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000304783282 403802732 /nfs/dbraw/zinc/80/27/32/403802732.db2.gz HABBSMCBSUGUAF-LZWOXQAQSA-N 1 1 320.389 2.457 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C1CC1)C1COC1 ZINC000295321090 403855163 /nfs/dbraw/zinc/85/51/63/403855163.db2.gz GRCWXEMRSZSGPY-UHFFFAOYSA-N 1 1 319.361 2.095 20 5 DEBDMO C[N@@H+](C[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000351699991 403859621 /nfs/dbraw/zinc/85/96/21/403859621.db2.gz OPDXVVLAHIRRCG-MRXNPFEDSA-N 1 1 319.405 2.014 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295341369 403867379 /nfs/dbraw/zinc/86/73/79/403867379.db2.gz MOJFOTHYDHYBNF-NSHDSACASA-N 1 1 321.352 2.290 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc1 ZINC000361810882 403881062 /nfs/dbraw/zinc/88/10/62/403881062.db2.gz GLXDBZAXNFTRDS-KGLIPLIRSA-N 1 1 306.366 2.045 20 5 DEBDMO C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347987236 403996538 /nfs/dbraw/zinc/99/65/38/403996538.db2.gz DGKSAOVGZRJQED-TUAOUCFPSA-N 1 1 323.368 2.388 20 5 DEBDMO C[C@H]1[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000344235433 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318.377 2.178 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(N)=O)cc1 ZINC000352545330 404447663 /nfs/dbraw/zinc/44/76/63/404447663.db2.gz WLEQJHFSTXMAPP-UHFFFAOYSA-N 1 1 313.357 2.368 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000352674010 404536744 /nfs/dbraw/zinc/53/67/44/404536744.db2.gz OYOSDGQWPUMKFV-TUKIKUTGSA-N 1 1 321.377 2.075 20 5 DEBDMO C[N@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c3nonc31)CC2 ZINC000364851097 404540172 /nfs/dbraw/zinc/54/01/72/404540172.db2.gz HOVNCLSPTLCOQO-UHFFFAOYSA-N 1 1 317.349 2.196 20 5 DEBDMO C[N@H+](Cc1ccoc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000345093792 404545170 /nfs/dbraw/zinc/54/51/70/404545170.db2.gz WBUZIIAMLCDILT-CQSZACIVSA-N 1 1 306.318 2.060 20 5 DEBDMO Cc1c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000373933856 404647297 /nfs/dbraw/zinc/64/72/97/404647297.db2.gz NYIUKWNYYXBOFX-CHWSQXEVSA-N 1 1 303.362 2.260 20 5 DEBDMO COc1c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000356748747 404680187 /nfs/dbraw/zinc/68/01/87/404680187.db2.gz WIJJFILLQLZCPP-NSHDSACASA-N 1 1 309.366 2.062 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000567561364 292322029 /nfs/dbraw/zinc/32/20/29/292322029.db2.gz QVUFLPKBNQMSID-SNVBAGLBSA-N 1 1 310.329 2.292 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000567561364 292322031 /nfs/dbraw/zinc/32/20/31/292322031.db2.gz QVUFLPKBNQMSID-SNVBAGLBSA-N 1 1 310.329 2.292 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000358144900 404755256 /nfs/dbraw/zinc/75/52/56/404755256.db2.gz VAORUIICAYHANV-ZDUSSCGKSA-N 1 1 322.409 2.465 20 5 DEBDMO C[C@]1(O)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375903605 404769068 /nfs/dbraw/zinc/76/90/68/404769068.db2.gz GYJNFWLQXLRIJE-INIZCTEOSA-N 1 1 321.377 2.160 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000374889589 404713231 /nfs/dbraw/zinc/71/32/31/404713231.db2.gz CIQTWBVVAMCMLC-IUODEOHRSA-N 1 1 303.362 2.069 20 5 DEBDMO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000415127759 404813724 /nfs/dbraw/zinc/81/37/24/404813724.db2.gz RESIMRPANFUESM-DOTOQJQBSA-N 1 1 319.405 2.313 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000360881634 404844056 /nfs/dbraw/zinc/84/40/56/404844056.db2.gz BWOZTJGBOPGHBS-AWEZNQCLSA-N 1 1 304.394 2.466 20 5 DEBDMO CO[C@@H](C)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353490739 404845974 /nfs/dbraw/zinc/84/59/74/404845974.db2.gz HDMVOGQWXVUYAM-SWLSCSKDSA-N 1 1 318.377 2.432 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000353756383 404958931 /nfs/dbraw/zinc/95/89/31/404958931.db2.gz UOSZXXDBCXUJPD-UHFFFAOYSA-N 1 1 313.317 2.011 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000378379240 404947509 /nfs/dbraw/zinc/94/75/09/404947509.db2.gz GSNAVLKLRCFUMX-UHFFFAOYSA-N 1 1 319.361 2.416 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000378379240 404947516 /nfs/dbraw/zinc/94/75/16/404947516.db2.gz GSNAVLKLRCFUMX-UHFFFAOYSA-N 1 1 319.361 2.416 20 5 DEBDMO C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000354205827 405096584 /nfs/dbraw/zinc/09/65/84/405096584.db2.gz JGYCJXDIYSPBBA-VXGBXAGGSA-N 1 1 303.362 2.214 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408071855 405104765 /nfs/dbraw/zinc/10/47/65/405104765.db2.gz QMFSGRKCFQKPIY-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408071855 405104771 /nfs/dbraw/zinc/10/47/71/405104771.db2.gz QMFSGRKCFQKPIY-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO Cc1c(NC(=O)CCN[C@H](C[NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000420372573 405336053 /nfs/dbraw/zinc/33/60/53/405336053.db2.gz YIHXFEUJMKXPKC-CQSZACIVSA-N 1 1 322.409 2.195 20 5 DEBDMO [NH3+]C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000420377306 405337825 /nfs/dbraw/zinc/33/78/25/405337825.db2.gz VZSOVAYEVMQQER-MRXNPFEDSA-N 1 1 307.394 2.471 20 5 DEBDMO COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000426248163 405347469 /nfs/dbraw/zinc/34/74/69/405347469.db2.gz AVCLYBCBGFNUOM-TZMCWYRMSA-N 1 1 312.341 2.478 20 5 DEBDMO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447522439 405417451 /nfs/dbraw/zinc/41/74/51/405417451.db2.gz YQRODHBSCVVABT-ZIAGYGMSSA-N 1 1 323.441 2.452 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000446025149 405365997 /nfs/dbraw/zinc/36/59/97/405365997.db2.gz AVNDZHUAKWLUAJ-ZDUSSCGKSA-N 1 1 305.378 2.365 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421087495 405445792 /nfs/dbraw/zinc/44/57/92/405445792.db2.gz BZJKLQGABVVJPH-CYBMUJFWSA-N 1 1 306.366 2.461 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1(C)C ZINC000577962521 405545324 /nfs/dbraw/zinc/54/53/24/405545324.db2.gz XMNCXQGPKXLCCV-UHFFFAOYSA-N 1 1 316.361 2.242 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000421706403 405599261 /nfs/dbraw/zinc/59/92/61/405599261.db2.gz URHUIEHXNUTCAU-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421769537 405638197 /nfs/dbraw/zinc/63/81/97/405638197.db2.gz SHBXPHSNGBNBFT-UHFFFAOYSA-N 1 1 305.378 2.379 20 5 DEBDMO COC[C@]1(CO)CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000449698913 405698016 /nfs/dbraw/zinc/69/80/16/405698016.db2.gz OUYXBWAZCHSOIV-XMCSSRMMSA-N 1 1 320.389 2.329 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000584121704 405829674 /nfs/dbraw/zinc/82/96/74/405829674.db2.gz VMQUSYNVDCNYKU-LBPRGKRZSA-N 1 1 301.350 2.201 20 5 DEBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423447152 405809365 /nfs/dbraw/zinc/80/93/65/405809365.db2.gz ZMZGDGMLCJWPDV-FJJYHAOUSA-N 1 1 307.419 2.273 20 5 DEBDMO CC(C)Oc1nc(N2CC[N@@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000583574836 405764842 /nfs/dbraw/zinc/76/48/42/405764842.db2.gz KTUPHDXPYZMJLN-GFCCVEGCSA-N 1 1 308.382 2.307 20 5 DEBDMO COC(=O)Cc1ccc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000450432619 405894378 /nfs/dbraw/zinc/89/43/78/405894378.db2.gz BCEDJKCHRTZMPE-DGCLKSJQSA-N 1 1 321.377 2.205 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496346976 405965678 /nfs/dbraw/zinc/96/56/78/405965678.db2.gz OOJOVHSEITUDEO-CYBMUJFWSA-N 1 1 319.361 2.177 20 5 DEBDMO CCc1nn(C)c(NC[C@@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000433809436 405986128 /nfs/dbraw/zinc/98/61/28/405986128.db2.gz UUVVMSFBMZGSER-LBPRGKRZSA-N 1 1 307.398 2.320 20 5 DEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000532690991 406093413 /nfs/dbraw/zinc/09/34/13/406093413.db2.gz SZDMTXDSLQEWCZ-CYBMUJFWSA-N 1 1 322.409 2.174 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000471951359 406132115 /nfs/dbraw/zinc/13/21/15/406132115.db2.gz JMOPCEUGPDVFBY-GFCCVEGCSA-N 1 1 305.378 2.323 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1NCc1c[nH+]c2n1CCCC2 ZINC000567783965 406138947 /nfs/dbraw/zinc/13/89/47/406138947.db2.gz WJOHVDXIOMUXHL-UHFFFAOYSA-N 1 1 304.354 2.265 20 5 DEBDMO C[N@H+]1CC[C@H](C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000536552283 406264509 /nfs/dbraw/zinc/26/45/09/406264509.db2.gz PZLWZRDDHPGMPJ-WFASDCNBSA-N 1 1 321.402 2.121 20 5 DEBDMO C[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1(C)C ZINC000520384088 406287703 /nfs/dbraw/zinc/28/77/03/406287703.db2.gz QTYNWSRBMPVJSN-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1(C)C ZINC000520384088 406287709 /nfs/dbraw/zinc/28/77/09/406287709.db2.gz QTYNWSRBMPVJSN-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000521730577 406363525 /nfs/dbraw/zinc/36/35/25/406363525.db2.gz PKKPLXZPMWZFHC-NSHDSACASA-N 1 1 316.361 2.148 20 5 DEBDMO O=C1NCC[C@@H]1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000570813536 406442844 /nfs/dbraw/zinc/44/28/44/406442844.db2.gz QWJVTMDYXQGBIC-CYBMUJFWSA-N 1 1 303.362 2.085 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000524776507 406459591 /nfs/dbraw/zinc/45/95/91/406459591.db2.gz OLWHMYYWIZUZBY-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134437069 196391184 /nfs/dbraw/zinc/39/11/84/196391184.db2.gz GFKMJILGIWIKLD-LLVKDONJSA-N 1 1 309.341 2.148 20 5 DEBDMO CC[C@H](O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000134497293 196396932 /nfs/dbraw/zinc/39/69/32/196396932.db2.gz GHHYHGPKURSTNZ-INIZCTEOSA-N 1 1 318.377 2.064 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000299222225 229002015 /nfs/dbraw/zinc/00/20/15/229002015.db2.gz LBJFXQSJAKSGCA-OLZOCXBDSA-N 1 1 321.377 2.341 20 5 DEBDMO C[C@@H](c1nccc(N)n1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000593986861 425010089 /nfs/dbraw/zinc/01/00/89/425010089.db2.gz JICFORAIJHRMAH-NSHDSACASA-N 1 1 301.350 2.203 20 5 DEBDMO C[C@@H](c1nccc(N)n1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000593986861 425010092 /nfs/dbraw/zinc/01/00/92/425010092.db2.gz JICFORAIJHRMAH-NSHDSACASA-N 1 1 301.350 2.203 20 5 DEBDMO CC(C)Oc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000594546386 425012221 /nfs/dbraw/zinc/01/22/21/425012221.db2.gz JWXYBFMKKRTJDD-CHWSQXEVSA-N 1 1 320.393 2.816 20 5 DEBDMO C[C@H]1[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000352361022 425044960 /nfs/dbraw/zinc/04/49/60/425044960.db2.gz PQYDIPSUKFENCH-WCQYABFASA-N 1 1 300.362 3.038 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000430212974 269126771 /nfs/dbraw/zinc/12/67/71/269126771.db2.gz RSKZAIRNZINESO-GFCCVEGCSA-N 1 1 321.377 2.081 20 5 DEBDMO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000411976177 274223073 /nfs/dbraw/zinc/22/30/73/274223073.db2.gz IANLKEUDSXVXJQ-KNXALSJPSA-N 1 1 317.389 2.297 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000252107399 278259440 /nfs/dbraw/zinc/25/94/40/278259440.db2.gz HGGMCJZNMJQKHS-STQMWFEESA-N 1 1 305.378 2.445 20 5 DEBDMO CC[N@@H+](C)CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000354027555 279032318 /nfs/dbraw/zinc/03/23/18/279032318.db2.gz IPYRHROAFFDGGC-NSHDSACASA-N 1 1 311.407 2.143 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180970541 279309140 /nfs/dbraw/zinc/30/91/40/279309140.db2.gz OTWNESZDVWKJTC-VXGBXAGGSA-N 1 1 320.393 2.027 20 5 DEBDMO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247322613 280204058 /nfs/dbraw/zinc/20/40/58/280204058.db2.gz IEBFBVKYRNIUBC-RISCZKNCSA-N 1 1 305.378 2.315 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000178304221 281011640 /nfs/dbraw/zinc/01/16/40/281011640.db2.gz LUUBPOWORLRIAN-CYBMUJFWSA-N 1 1 315.377 2.491 20 5 DEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134402279 282041333 /nfs/dbraw/zinc/04/13/33/282041333.db2.gz YJZVHYUQOHNQMO-UHFFFAOYSA-N 1 1 320.324 2.449 20 5 DEBDMO COC[C@@H](C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353496129 292757816 /nfs/dbraw/zinc/75/78/16/292757816.db2.gz KYAQUCDSZMQEMQ-SWLSCSKDSA-N 1 1 318.377 2.290 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000269079260 290240322 /nfs/dbraw/zinc/24/03/22/290240322.db2.gz DKWKFDAZYNZWEK-QWRGUYRKSA-N 1 1 317.349 2.052 20 5 DEBDMO CCc1[nH+]ccn1C[C@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000573554480 326068184 /nfs/dbraw/zinc/06/81/84/326068184.db2.gz UWQRYPAPWFKDQL-CYBMUJFWSA-N 1 1 301.350 2.418 20 5 DEBDMO C[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000575800960 326246738 /nfs/dbraw/zinc/24/67/38/326246738.db2.gz WFFVNWHAMKBLFH-UONOGXRCSA-N 1 1 319.405 2.499 20 5 DEBDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000583675469 336395173 /nfs/dbraw/zinc/39/51/73/336395173.db2.gz GCWGUVJKCXDUNF-CABCVRRESA-N 1 1 317.389 2.253 20 5 DEBDMO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000294564830 534075455 /nfs/dbraw/zinc/07/54/55/534075455.db2.gz JPCANOJUUFPAHO-CQSZACIVSA-N 1 1 321.421 2.459 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292366765 534333831 /nfs/dbraw/zinc/33/38/31/534333831.db2.gz WLXHHVLHCPESIV-MRXNPFEDSA-N 1 1 303.362 2.071 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292911440 534340539 /nfs/dbraw/zinc/34/05/39/534340539.db2.gz XBSKFXZEVKSHLQ-INIZCTEOSA-N 1 1 318.377 2.463 20 5 DEBDMO CC(C)[C@H](C)NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338366130 519812088 /nfs/dbraw/zinc/81/20/88/519812088.db2.gz WNZVJNQUWJBGLS-ZDUSSCGKSA-N 1 1 307.394 2.230 20 5 DEBDMO CC(C)[C@H](C)NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338366130 519812089 /nfs/dbraw/zinc/81/20/89/519812089.db2.gz WNZVJNQUWJBGLS-ZDUSSCGKSA-N 1 1 307.394 2.230 20 5 DEBDMO COCc1ccc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000130997569 523013997 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DEBDMO COc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358027391 536898957 /nfs/dbraw/zinc/89/89/57/536898957.db2.gz RBIADXIJEULZCW-OUCADQQQSA-N 1 1 307.394 2.422 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(=O)NCC(C)C ZINC001327596493 1148594128 /nfs/dbraw/zinc/59/41/28/1148594128.db2.gz QDEZNXKAGQCFSK-NSHDSACASA-N 1 1 309.366 2.026 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N(C)CCCn1cc[nH+]c1C ZINC001355255075 1151996461 /nfs/dbraw/zinc/99/64/61/1151996461.db2.gz TVJJYEZVGRAZMX-UHFFFAOYSA-N 1 1 305.338 2.030 20 5 DEBDMO CC(C)(C)OC(=O)N1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000221627365 625371316 /nfs/dbraw/zinc/37/13/16/625371316.db2.gz BNESBNYMMZWOKW-UHFFFAOYSA-N 1 1 307.350 2.304 20 5 DEBDMO C[N@H+](CCN1CCCC1=O)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783566101 625413966 /nfs/dbraw/zinc/41/39/66/625413966.db2.gz IRLXMIGWHMPISU-UHFFFAOYSA-N 1 1 311.769 2.302 20 5 DEBDMO C[N@@H+](CCN1CCCC1=O)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783566101 625413968 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C[C@H](Nc1c([N+](=O)[O-])cnn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893119406 625125057 /nfs/dbraw/zinc/12/50/57/625125057.db2.gz QVBDFUHRFZHNLH-NWDGAFQWSA-N 1 1 307.398 2.393 20 5 DEBDMO COc1c(O)ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000892609243 625191908 /nfs/dbraw/zinc/19/19/08/625191908.db2.gz YYKYKWJKFDJDBV-CHWSQXEVSA-N 1 1 321.377 2.025 20 5 DEBDMO CC[NH+]1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836185577 650061484 /nfs/dbraw/zinc/06/14/84/650061484.db2.gz SBWOXLAMWVWVLQ-UHFFFAOYSA-N 1 1 311.769 2.334 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CCC[C@H](OC)CC2)c1[N+](=O)[O-] ZINC000893512647 634059716 /nfs/dbraw/zinc/05/97/16/634059716.db2.gz WBHTVVADSZKVGG-LBPRGKRZSA-N 1 1 310.350 2.310 20 5 DEBDMO CC1(C(=O)N2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000981218826 635373725 /nfs/dbraw/zinc/37/37/25/635373725.db2.gz SZWDOSZFLQATFS-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO CC1(C(=O)N2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000981218826 635373728 /nfs/dbraw/zinc/37/37/28/635373728.db2.gz SZWDOSZFLQATFS-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO O=C(NCC1CC[NH+](CCC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001398322 635477930 /nfs/dbraw/zinc/47/79/30/635477930.db2.gz BXTLQRYAMVHYOP-HZPDHXFCSA-N 1 1 323.437 2.060 20 5 DEBDMO C[C@H]([NH2+]Cc1cnc2n1CCOC2)c1ccccc1[N+](=O)[O-] ZINC000921965486 635769095 /nfs/dbraw/zinc/76/90/95/635769095.db2.gz BDGSJUXQVXQCGE-NSHDSACASA-N 1 1 302.334 2.172 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CCC[C@@](C)(OC)C2)c1[N+](=O)[O-] ZINC000894136213 636267792 /nfs/dbraw/zinc/26/77/92/636267792.db2.gz FFNNVVKJYYZKST-OAHLLOKOSA-N 1 1 310.350 2.310 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@](C)(OC)C2)c1[N+](=O)[O-] ZINC000894136213 636267797 /nfs/dbraw/zinc/26/77/97/636267797.db2.gz FFNNVVKJYYZKST-OAHLLOKOSA-N 1 1 310.350 2.310 20 5 DEBDMO CCO[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CN(C)C ZINC000922758014 636381110 /nfs/dbraw/zinc/38/11/10/636381110.db2.gz ZVFCMLCKJPMECT-VIHMKRCTSA-N 1 1 307.394 2.164 20 5 DEBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000108305101 636578066 /nfs/dbraw/zinc/57/80/66/636578066.db2.gz ZWJHYYQLCDQFPZ-LBPRGKRZSA-N 1 1 323.780 2.462 20 5 DEBDMO CCCC[N@@H+](CCCO)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894473999 637061169 /nfs/dbraw/zinc/06/11/69/637061169.db2.gz CZLBBOKKCSHGEH-UHFFFAOYSA-N 1 1 312.366 2.294 20 5 DEBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000923336423 637122411 /nfs/dbraw/zinc/12/24/11/637122411.db2.gz SDYXGGVSYDDSIJ-GDBMZVCRSA-N 1 1 307.394 2.092 20 5 DEBDMO CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000923336423 637122414 /nfs/dbraw/zinc/12/24/14/637122414.db2.gz SDYXGGVSYDDSIJ-GDBMZVCRSA-N 1 1 307.394 2.092 20 5 DEBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928454472 637291539 /nfs/dbraw/zinc/29/15/39/637291539.db2.gz NGRNGMFUOOLPIZ-MWLCHTKSSA-N 1 1 309.391 2.139 20 5 DEBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000737742401 637362314 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20 5 DEBDMO CC[C@@H]1C[C@@H](C)C[N@@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000744443208 638221034 /nfs/dbraw/zinc/22/10/34/638221034.db2.gz IFWCKQWUCBSNBI-GHMZBOCLSA-N 1 1 317.345 2.269 20 5 DEBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000744443208 638221038 /nfs/dbraw/zinc/22/10/38/638221038.db2.gz IFWCKQWUCBSNBI-GHMZBOCLSA-N 1 1 317.345 2.269 20 5 DEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000896912902 639068484 /nfs/dbraw/zinc/06/84/84/639068484.db2.gz IRXRDTITWDNNBL-WBMJQRKESA-N 1 1 303.362 2.185 20 5 DEBDMO C[N@H+](CC(=O)OCCc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000753954372 639366750 /nfs/dbraw/zinc/36/67/50/639366750.db2.gz ZRNVWMMCYNENLM-ZDUSSCGKSA-N 1 1 324.402 2.118 20 5 DEBDMO C[N@@H+](CC(=O)OCCc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000753954372 639366755 /nfs/dbraw/zinc/36/67/55/639366755.db2.gz ZRNVWMMCYNENLM-ZDUSSCGKSA-N 1 1 324.402 2.118 20 5 DEBDMO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839673595 639800754 /nfs/dbraw/zinc/80/07/54/639800754.db2.gz LESQMHNXHLSTTN-JQWIXIFHSA-N 1 1 309.322 2.096 20 5 DEBDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839673595 639800760 /nfs/dbraw/zinc/80/07/60/639800760.db2.gz LESQMHNXHLSTTN-JQWIXIFHSA-N 1 1 309.322 2.096 20 5 DEBDMO C[C@@H]1C[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H](C)[C@H]1C ZINC000841691075 650542016 /nfs/dbraw/zinc/54/20/16/650542016.db2.gz AINSLHOCPFJBFK-VWYCJHECSA-N 1 1 317.345 2.125 20 5 DEBDMO C[C@@H]1C[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H](C)[C@H]1C ZINC000841691075 650542019 /nfs/dbraw/zinc/54/20/19/650542019.db2.gz AINSLHOCPFJBFK-VWYCJHECSA-N 1 1 317.345 2.125 20 5 DEBDMO CC[N@H+](CCC1CC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000760537298 640204744 /nfs/dbraw/zinc/20/47/44/640204744.db2.gz MKUYQQFHYQXOAA-UHFFFAOYSA-N 1 1 317.345 2.270 20 5 DEBDMO CC[N@@H+](CCC1CC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000760537298 640204746 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308.338 2.422 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000766249964 640863108 /nfs/dbraw/zinc/86/31/08/640863108.db2.gz LFHHUXDTJCSOQN-WWGRRREGSA-N 1 1 307.394 2.043 20 5 DEBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000897684083 640902832 /nfs/dbraw/zinc/90/28/32/640902832.db2.gz XDLSSLJJHQBLJT-KRWDZBQOSA-N 1 1 317.389 2.082 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000769142707 641183652 /nfs/dbraw/zinc/18/36/52/641183652.db2.gz YNFOOEWALXSFRQ-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000769142707 641183658 /nfs/dbraw/zinc/18/36/58/641183658.db2.gz YNFOOEWALXSFRQ-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000771875173 641564345 /nfs/dbraw/zinc/56/43/45/641564345.db2.gz YFWMCVPNZOYSKX-UHFFFAOYSA-N 1 1 318.333 2.145 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 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DEBDMO Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827358105 649021583 /nfs/dbraw/zinc/02/15/83/649021583.db2.gz WEBZIKVXKTWBGZ-TZMCWYRMSA-N 1 1 303.362 2.069 20 5 DEBDMO Cc1c(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827374606 649026000 /nfs/dbraw/zinc/02/60/00/649026000.db2.gz ORQQPABOLMREAI-DOMZBBRYSA-N 1 1 303.362 2.069 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000827674728 649065484 /nfs/dbraw/zinc/06/54/84/649065484.db2.gz KOEUFXVOZLVXHV-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000827674728 649065487 /nfs/dbraw/zinc/06/54/87/649065487.db2.gz KOEUFXVOZLVXHV-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000827898843 649101599 /nfs/dbraw/zinc/10/15/99/649101599.db2.gz UQRJUMMERQYTPJ-LLVKDONJSA-N 1 1 309.341 2.148 20 5 DEBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827977202 649114496 /nfs/dbraw/zinc/11/44/96/649114496.db2.gz AHEQMIFWMCFMAY-FZKCQIBNSA-N 1 1 315.373 2.003 20 5 DEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827977202 649114500 /nfs/dbraw/zinc/11/45/00/649114500.db2.gz AHEQMIFWMCFMAY-FZKCQIBNSA-N 1 1 315.373 2.003 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000831165790 649547520 /nfs/dbraw/zinc/54/75/20/649547520.db2.gz MZLFRDJWVHCBQX-VVLHAWIVSA-N 1 1 320.389 2.254 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1F ZINC000832298933 649694285 /nfs/dbraw/zinc/69/42/85/649694285.db2.gz VIKQTTKLKIXJCF-CABZTGNLSA-N 1 1 322.258 2.479 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1F ZINC000832298933 649694286 /nfs/dbraw/zinc/69/42/86/649694286.db2.gz VIKQTTKLKIXJCF-CABZTGNLSA-N 1 1 322.258 2.479 20 5 DEBDMO COC[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000832745802 649740722 /nfs/dbraw/zinc/74/07/22/649740722.db2.gz MHJHFUKHRSRASB-XJKSGUPXSA-N 1 1 308.378 2.377 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000845738458 651276270 /nfs/dbraw/zinc/27/62/70/651276270.db2.gz OIOOIEWBTBLMEV-NSHDSACASA-N 1 1 307.350 2.207 20 5 DEBDMO Cn1cccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000107010224 651407621 /nfs/dbraw/zinc/40/76/21/651407621.db2.gz HUWIJFPENRNAHV-UHFFFAOYSA-N 1 1 300.362 2.256 20 5 DEBDMO CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[N@@H+](C)C1 ZINC000855360337 651682767 /nfs/dbraw/zinc/68/27/67/651682767.db2.gz FBEAWAPMXZLLAY-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO CCn1ncc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000858205779 652278691 /nfs/dbraw/zinc/27/86/91/652278691.db2.gz BRHANOYDMCPVNQ-KPKJPENVSA-N 1 1 301.350 2.399 20 5 DEBDMO C[C@H]1COC2(CCC2)C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852441512 652402185 /nfs/dbraw/zinc/40/21/85/652402185.db2.gz BCZNQYKPVKOJFG-WFASDCNBSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@H]1COC2(CCC2)C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852441512 652402186 /nfs/dbraw/zinc/40/21/86/652402186.db2.gz BCZNQYKPVKOJFG-WFASDCNBSA-N 1 1 306.362 2.272 20 5 DEBDMO NC(=[NH+]OCc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000853667562 652587101 /nfs/dbraw/zinc/58/71/01/652587101.db2.gz HEEDYCMGAHSTLA-UHFFFAOYSA-N 1 1 315.276 2.298 20 5 DEBDMO Cc1nn(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC001356057135 1152055000 /nfs/dbraw/zinc/05/50/00/1152055000.db2.gz NBKCRHZINYQWNC-KKUMJFAQSA-N 1 1 321.425 2.028 20 5 DEBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000928436087 693779024 /nfs/dbraw/zinc/77/90/24/693779024.db2.gz IMMXTCZJGGNPDS-KOLCDFICSA-N 1 1 309.391 2.139 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCCCCO)C2)nc1 ZINC000079323858 683971883 /nfs/dbraw/zinc/97/18/83/683971883.db2.gz POGPBJHNWYYPTM-ZDUSSCGKSA-N 1 1 308.382 2.029 20 5 DEBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(OCCO)CC2)ccc1Cl ZINC000135395313 684235323 /nfs/dbraw/zinc/23/53/23/684235323.db2.gz NFORFZOUNDJCLN-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000160431665 684327847 /nfs/dbraw/zinc/32/78/47/684327847.db2.gz HBFNTVHIXQHFOI-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000160431665 684327851 /nfs/dbraw/zinc/32/78/51/684327851.db2.gz HBFNTVHIXQHFOI-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000860066396 685878581 /nfs/dbraw/zinc/87/85/81/685878581.db2.gz SOHFRIZJDIXMKX-UHFFFAOYSA-N 1 1 311.338 2.486 20 5 DEBDMO CC(C)CC[C@H]([NH3+])c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000863664001 686545345 /nfs/dbraw/zinc/54/53/45/686545345.db2.gz PGTZAFIBMQCFEY-LBPRGKRZSA-N 1 1 305.338 2.400 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000864880153 686871983 /nfs/dbraw/zinc/87/19/83/686871983.db2.gz SBKMXELIIDARNJ-GFCCVEGCSA-N 1 1 323.368 2.125 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C1CC1 ZINC000930062297 694082008 /nfs/dbraw/zinc/08/20/08/694082008.db2.gz XXBFEWITMXMZKD-JLJPHGGASA-N 1 1 318.373 2.363 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C1CC1 ZINC000930062297 694082014 /nfs/dbraw/zinc/08/20/14/694082014.db2.gz XXBFEWITMXMZKD-JLJPHGGASA-N 1 1 318.373 2.363 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000872019584 688914212 /nfs/dbraw/zinc/91/42/12/688914212.db2.gz WZRVOCGTLXIAMD-SNVBAGLBSA-N 1 1 311.407 2.492 20 5 DEBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC001031512149 688934141 /nfs/dbraw/zinc/93/41/41/688934141.db2.gz GJFYEWHADOSFGJ-UHFFFAOYSA-N 1 1 317.389 2.333 20 5 DEBDMO CC(C)Oc1nc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000872779572 689091108 /nfs/dbraw/zinc/09/11/08/689091108.db2.gz RBTARDKMZGWMOT-OLZOCXBDSA-N 1 1 320.393 2.450 20 5 DEBDMO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000930912599 694270470 /nfs/dbraw/zinc/27/04/70/694270470.db2.gz ACIGMEHAFYLCGM-MXWKQRLJSA-N 1 1 309.341 2.208 20 5 DEBDMO C[C@H]1[C@@H](N(C)C)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000931037773 694299509 /nfs/dbraw/zinc/29/95/09/694299509.db2.gz JBFKCTJCKKTILF-BBRMVZONSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@H]1[C@@H](N(C)C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000931037773 694299511 /nfs/dbraw/zinc/29/95/11/694299511.db2.gz JBFKCTJCKKTILF-BBRMVZONSA-N 1 1 307.394 2.388 20 5 DEBDMO COC[C@@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000877464506 690121524 /nfs/dbraw/zinc/12/15/24/690121524.db2.gz PCEYECCKVLJUQY-OCCSQVGLSA-N 1 1 308.378 2.447 20 5 DEBDMO COC[C@@H]1C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000877464506 690121527 /nfs/dbraw/zinc/12/15/27/690121527.db2.gz PCEYECCKVLJUQY-OCCSQVGLSA-N 1 1 308.378 2.447 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000877556435 690150879 /nfs/dbraw/zinc/15/08/79/690150879.db2.gz GKHJZLKSBFLCCF-SJORKVTESA-N 1 1 319.405 2.117 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877902525 690256770 /nfs/dbraw/zinc/25/67/70/690256770.db2.gz CMBSFIZFRDNHND-IUODEOHRSA-N 1 1 318.377 2.461 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000878176086 690335929 /nfs/dbraw/zinc/33/59/29/690335929.db2.gz CJJUFPGCWVALBY-OAHLLOKOSA-N 1 1 300.362 2.417 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)CC1(O)CCCC1 ZINC000878564754 690443098 /nfs/dbraw/zinc/44/30/98/690443098.db2.gz BNNNVURPSDHPLH-INIZCTEOSA-N 1 1 322.405 2.125 20 5 DEBDMO CO[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000879262347 690605896 /nfs/dbraw/zinc/60/58/96/690605896.db2.gz VCCNQFLLQCEGCP-SMDDNHRTSA-N 1 1 314.769 2.220 20 5 DEBDMO CO[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000879262347 690605898 /nfs/dbraw/zinc/60/58/98/690605898.db2.gz VCCNQFLLQCEGCP-SMDDNHRTSA-N 1 1 314.769 2.220 20 5 DEBDMO NC(=O)[C@@H](C1CC1)[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CC1 ZINC000879491047 690653835 /nfs/dbraw/zinc/65/38/35/690653835.db2.gz BXTKWAWUBJBGJH-OAHLLOKOSA-N 1 1 321.352 2.210 20 5 DEBDMO NC(=O)[C@@H](C1CC1)[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CC1 ZINC000879491047 690653836 /nfs/dbraw/zinc/65/38/36/690653836.db2.gz BXTKWAWUBJBGJH-OAHLLOKOSA-N 1 1 321.352 2.210 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000879579050 690678527 /nfs/dbraw/zinc/67/85/27/690678527.db2.gz IXEFEIZTOZPCAN-MEBBXXQBSA-N 1 1 311.332 2.399 20 5 DEBDMO CC1(C)C[C@H](O)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000879617381 690688665 /nfs/dbraw/zinc/68/86/65/690688665.db2.gz JTHOYNYREWJQMW-AWEZNQCLSA-N 1 1 308.378 2.457 20 5 DEBDMO COc1ccc(OCC[N@H+]2C[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000879618797 690689308 /nfs/dbraw/zinc/68/93/08/690689308.db2.gz CSDGNCDXAJXZNB-GFCCVEGCSA-N 1 1 324.377 2.075 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](CF)C2)c1 ZINC000880230669 690844479 /nfs/dbraw/zinc/84/44/79/690844479.db2.gz MUFCPTPEIWMEMU-OCCSQVGLSA-N 1 1 312.341 2.016 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(c2ncccn2)CCC1 ZINC000880365882 690881808 /nfs/dbraw/zinc/88/18/08/690881808.db2.gz UYIMLJYGJYLBSO-UHFFFAOYSA-N 1 1 314.345 2.433 20 5 DEBDMO Cc1c(C[N@@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)cccc1[N+](=O)[O-] ZINC000880530418 690919230 /nfs/dbraw/zinc/91/92/30/690919230.db2.gz PTYSSDADRAQLDU-SWLSCSKDSA-N 1 1 303.362 2.004 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)cccc1[N+](=O)[O-] ZINC000880530418 690919233 /nfs/dbraw/zinc/91/92/33/690919233.db2.gz PTYSSDADRAQLDU-SWLSCSKDSA-N 1 1 303.362 2.004 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880580281 690932914 /nfs/dbraw/zinc/93/29/14/690932914.db2.gz GAXHXUKLRSJGSZ-AWEZNQCLSA-N 1 1 324.352 2.097 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880580281 690932917 /nfs/dbraw/zinc/93/29/17/690932917.db2.gz GAXHXUKLRSJGSZ-AWEZNQCLSA-N 1 1 324.352 2.097 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCc3ncncc3C2)cc1 ZINC000880593707 690936403 /nfs/dbraw/zinc/93/64/03/690936403.db2.gz BNYFAYJNIAHBFJ-UHFFFAOYSA-N 1 1 314.345 2.212 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCc3ncncc3C2)cc1 ZINC000880593707 690936407 /nfs/dbraw/zinc/93/64/07/690936407.db2.gz BNYFAYJNIAHBFJ-UHFFFAOYSA-N 1 1 314.345 2.212 20 5 DEBDMO C[C@H](NC(=O)N1CC[N@@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000883669160 691560645 /nfs/dbraw/zinc/56/06/45/691560645.db2.gz YRTPVTFMCQITLA-LBPRGKRZSA-N 1 1 320.393 2.391 20 5 DEBDMO C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000931780794 694477474 /nfs/dbraw/zinc/47/74/74/694477474.db2.gz QEINSHQBKTUORS-RLCCDNCMSA-N 1 1 317.389 2.297 20 5 DEBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886035581 691989356 /nfs/dbraw/zinc/98/93/56/691989356.db2.gz OYWZFWNHSZBPRI-GFCCVEGCSA-N 1 1 307.350 2.153 20 5 DEBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886035581 691989360 /nfs/dbraw/zinc/98/93/60/691989360.db2.gz OYWZFWNHSZBPRI-GFCCVEGCSA-N 1 1 307.350 2.153 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000886036982 691989854 /nfs/dbraw/zinc/98/98/54/691989854.db2.gz DZQXDYMARAGLTE-HNNXBMFYSA-N 1 1 321.377 2.150 20 5 DEBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886102767 692004063 /nfs/dbraw/zinc/00/40/63/692004063.db2.gz PULLIKLSSHGEKL-CYBMUJFWSA-N 1 1 321.377 2.401 20 5 DEBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886102767 692004064 /nfs/dbraw/zinc/00/40/64/692004064.db2.gz PULLIKLSSHGEKL-CYBMUJFWSA-N 1 1 321.377 2.401 20 5 DEBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000886589351 692120261 /nfs/dbraw/zinc/12/02/61/692120261.db2.gz RUCRMJMMSQOFEK-OAHLLOKOSA-N 1 1 319.405 2.326 20 5 DEBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000886590759 692121645 /nfs/dbraw/zinc/12/16/45/692121645.db2.gz DBKODSIRSLXJEW-LBPRGKRZSA-N 1 1 311.407 2.459 20 5 DEBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000886590759 692121647 /nfs/dbraw/zinc/12/16/47/692121647.db2.gz DBKODSIRSLXJEW-LBPRGKRZSA-N 1 1 311.407 2.459 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931922639 694507119 /nfs/dbraw/zinc/50/71/19/694507119.db2.gz JRJDMENVLDKKSI-WBVHZDCISA-N 1 1 312.373 2.373 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000886821883 692200229 /nfs/dbraw/zinc/20/02/29/692200229.db2.gz IZAVFBZCAOHXRU-NUEKZKHPSA-N 1 1 306.362 2.129 20 5 DEBDMO Cc1nc([C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000931948841 694513193 /nfs/dbraw/zinc/51/31/93/694513193.db2.gz LAQKYSXQIVYPQZ-ZDUSSCGKSA-N 1 1 302.334 2.318 20 5 DEBDMO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000887399656 692354510 /nfs/dbraw/zinc/35/45/10/692354510.db2.gz YZAQMCAXRBLHCB-OLZOCXBDSA-N 1 1 305.378 2.156 20 5 DEBDMO C[N@H+]1C[C@@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000887939153 692486349 /nfs/dbraw/zinc/48/63/49/692486349.db2.gz QRTGIWRKMFHVOX-NKONXVNESA-N 1 1 315.373 2.018 20 5 DEBDMO CCOc1cc(NC(=O)NC[C@H]2CC[N@H+]2CC)ccc1[N+](=O)[O-] ZINC000888829223 692609658 /nfs/dbraw/zinc/60/96/58/692609658.db2.gz ATAHPUIQKOXKIW-GFCCVEGCSA-N 1 1 322.365 2.209 20 5 DEBDMO CC(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048685286 692677863 /nfs/dbraw/zinc/67/78/63/692677863.db2.gz OILBKSHLUJXNDR-GASCZTMLSA-N 1 1 317.389 2.141 20 5 DEBDMO Cn1ccc([C@@H]2CCC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)n1 ZINC000932130602 694555599 /nfs/dbraw/zinc/55/55/99/694555599.db2.gz NLWLBFWTXGKDDJ-GFCCVEGCSA-N 1 1 316.361 2.414 20 5 DEBDMO Cn1ccc([C@@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)n1 ZINC000932130602 694555600 /nfs/dbraw/zinc/55/56/00/694555600.db2.gz NLWLBFWTXGKDDJ-GFCCVEGCSA-N 1 1 316.361 2.414 20 5 DEBDMO CC[NH+]1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000925226583 693243917 /nfs/dbraw/zinc/24/39/17/693243917.db2.gz NKPFPTISWFLCCU-GFCCVEGCSA-N 1 1 306.366 2.003 20 5 DEBDMO C[C@@H](NC(=O)[C@@H]1[NH2+]CCc2occc21)c1cccc([N+](=O)[O-])c1 ZINC001343148235 1150695164 /nfs/dbraw/zinc/69/51/64/1150695164.db2.gz MVRBCENIMPMBDR-MEBBXXQBSA-N 1 1 315.329 2.252 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC001345727197 1150910892 /nfs/dbraw/zinc/91/08/92/1150910892.db2.gz HEJQMTRLWLWHHO-NSHDSACASA-N 1 1 322.365 2.161 20 5 DEBDMO COc1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001345874692 1150922521 /nfs/dbraw/zinc/92/25/21/1150922521.db2.gz AFYGUWWKDRVEGO-LLVKDONJSA-N 1 1 322.365 2.209 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3C[C@@H]4CSC[C@@H]4C3)c2c1 ZINC001353218723 1151817556 /nfs/dbraw/zinc/81/75/56/1151817556.db2.gz UNKSCMFSZRXAKV-TXEJJXNPSA-N 1 1 304.375 2.197 20 5 DEBDMO Nc1cc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC001354233776 1151879278 /nfs/dbraw/zinc/87/92/78/1151879278.db2.gz BRXGLCVVZQPKAR-LLVKDONJSA-N 1 1 305.382 2.391 20 5 DEBDMO C[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@@H](C)C[N@H+]1C ZINC001164632914 719163412 /nfs/dbraw/zinc/16/34/12/719163412.db2.gz FTXUKKIIENTCKS-MNOVXSKESA-N 1 1 301.350 2.067 20 5 DEBDMO C[C@@H]1CN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1C ZINC001164634076 719232966 /nfs/dbraw/zinc/23/29/66/719232966.db2.gz FNDVQKPHIAZHCB-FAVCKAPTSA-N 1 1 319.409 2.051 20 5 DEBDMO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CC[C@H](CF)C1 ZINC001332150960 1149825843 /nfs/dbraw/zinc/82/58/43/1149825843.db2.gz JFDKTISYPPHQSM-DOMZBBRYSA-N 1 1 321.352 2.160 20 5 DEBDMO Cc1cc(N[C@H]2CC[N@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001167273016 776817332 /nfs/dbraw/zinc/81/73/32/776817332.db2.gz MUFUHCIGESNEPC-ZDUSSCGKSA-N 1 1 313.361 2.476 20 5 DEBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000827758620 783686481 /nfs/dbraw/zinc/68/64/81/783686481.db2.gz WZKWCXQQMQLGHM-HNNXBMFYSA-N 1 1 319.405 2.469 20 5 DEBDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169005690 784999917 /nfs/dbraw/zinc/99/99/17/784999917.db2.gz CHQPKSMLIFZDMT-KFWWJZLASA-N 1 1 311.426 2.012 20 5 DEBDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@]1(O)C(F)(F)F ZINC001169012778 785002901 /nfs/dbraw/zinc/00/29/01/785002901.db2.gz SCLFJLLWMTTYJC-WYUUTHIRSA-N 1 1 310.316 2.067 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCN3CCc4ccccc4[C@@H]3C2)C1 ZINC001169040091 785014450 /nfs/dbraw/zinc/01/44/50/785014450.db2.gz XWBFNWUGUIVRMN-KYJSFNMBSA-N 1 1 315.417 2.347 20 5 DEBDMO O=C1Nc2ccccc2[C@]12CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169024852 785018741 /nfs/dbraw/zinc/01/87/41/785018741.db2.gz RNVPKHVBCHYTIO-PBFPGSCMSA-N 1 1 315.373 2.028 20 5 DEBDMO CC(=O)N1CCCC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169024482 785018903 /nfs/dbraw/zinc/01/89/03/785018903.db2.gz HOAFNUXKRYMWLT-BRWVUGGUSA-N 1 1 323.437 2.299 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)C1 ZINC001169026618 785020078 /nfs/dbraw/zinc/02/00/78/785020078.db2.gz YBYCQWKMULAAPO-DRRXZNNHSA-N 1 1 324.421 2.090 20 5 DEBDMO Cc1ccnc(O[C@@H]2CCC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169054238 785023847 /nfs/dbraw/zinc/02/38/47/785023847.db2.gz LBEIGHQNSAQMBR-SOUVJXGZSA-N 1 1 320.393 2.074 20 5 DEBDMO Cc1ccnc(O[C@@H]2CCC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169054236 785023916 /nfs/dbraw/zinc/02/39/16/785023916.db2.gz LBEIGHQNSAQMBR-RBSFLKMASA-N 1 1 320.393 2.074 20 5 DEBDMO Cc1nccnc1O[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169054669 785023992 /nfs/dbraw/zinc/02/39/92/785023992.db2.gz NJJGHQGIEUFIEV-RRFJBIMHSA-N 1 1 320.393 2.074 20 5 DEBDMO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001170298094 786894309 /nfs/dbraw/zinc/89/43/09/786894309.db2.gz ZXQRJYGXSYORAZ-CHWSQXEVSA-N 1 1 307.394 2.076 20 5 DEBDMO COc1ccc(C[C@H](C)N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001170329849 786910626 /nfs/dbraw/zinc/91/06/26/786910626.db2.gz VUSVKGVKQGMTKL-ZDUSSCGKSA-N 1 1 307.394 2.172 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+]2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC001170329849 786910631 /nfs/dbraw/zinc/91/06/31/786910631.db2.gz VUSVKGVKQGMTKL-ZDUSSCGKSA-N 1 1 307.394 2.172 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC001170329849 786910634 /nfs/dbraw/zinc/91/06/34/786910634.db2.gz VUSVKGVKQGMTKL-ZDUSSCGKSA-N 1 1 307.394 2.172 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329065 786910831 /nfs/dbraw/zinc/91/08/31/786910831.db2.gz NVWXOSRTAVLPTD-LRDDRELGSA-N 1 1 308.378 2.239 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCn3nccc3C2)c([N+](=O)[O-])c1 ZINC001170354316 786916629 /nfs/dbraw/zinc/91/66/29/786916629.db2.gz IQOSFXJTEVREKT-GFCCVEGCSA-N 1 1 316.361 2.247 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CCn3nccc3C2)c([N+](=O)[O-])c1 ZINC001170354316 786916634 /nfs/dbraw/zinc/91/66/34/786916634.db2.gz IQOSFXJTEVREKT-GFCCVEGCSA-N 1 1 316.361 2.247 20 5 DEBDMO COc1ccc(C[C@@H](C)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001170353424 786917002 /nfs/dbraw/zinc/91/70/02/786917002.db2.gz YADMAGCCAONCHT-YUELXQCFSA-N 1 1 319.405 2.313 20 5 DEBDMO COC(=O)CC[N@@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170354343 786917977 /nfs/dbraw/zinc/91/79/77/786917977.db2.gz JDAYPWXUNXGKQG-NSHDSACASA-N 1 1 310.350 2.029 20 5 DEBDMO COC(=O)C[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750050401 791966657 /nfs/dbraw/zinc/96/66/57/791966657.db2.gz AEUHSVXSOBVYBL-UKRRQHHQSA-N 1 1 322.361 2.046 20 5 DEBDMO C[C@@H]1C(=O)N(C)CC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914087 793530129 /nfs/dbraw/zinc/53/01/29/793530129.db2.gz ZBCNBMAVUVOHFG-IUODEOHRSA-N 1 1 317.389 2.005 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCN(C)C)c1F ZINC001173174830 793617456 /nfs/dbraw/zinc/61/74/56/793617456.db2.gz DCIOHMNOILJHSE-NSHDSACASA-N 1 1 313.373 2.215 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@](C)(O)C2)c1F ZINC001173182455 793621521 /nfs/dbraw/zinc/62/15/21/793621521.db2.gz RXYMAXGSOGOBSZ-BONVTDFDSA-N 1 1 312.341 2.130 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@@H]2CO)c1F ZINC001173182737 793622096 /nfs/dbraw/zinc/62/20/96/793622096.db2.gz SVVBDUXRELFUBZ-WDEREUQCSA-N 1 1 312.341 2.130 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@@H](O)C2)c1F ZINC001173187107 793622120 /nfs/dbraw/zinc/62/21/20/793622120.db2.gz WWZSMPVRWBXETE-GHMZBOCLSA-N 1 1 312.341 2.130 20 5 DEBDMO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001177175129 794603453 /nfs/dbraw/zinc/60/34/53/794603453.db2.gz ASJNQWXKYNXVFE-NSHDSACASA-N 1 1 317.345 2.469 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C(C)(C)C1 ZINC001178856802 795021319 /nfs/dbraw/zinc/02/13/19/795021319.db2.gz NIIWBZQBERSCJH-CQSZACIVSA-N 1 1 305.378 2.363 20 5 DEBDMO CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087308 795588664 /nfs/dbraw/zinc/58/86/64/795588664.db2.gz CMIGQQNPJHMYSC-KDUKZITGSA-N 1 1 323.437 2.105 20 5 DEBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1C[C@@H]1F ZINC001122952142 795826404 /nfs/dbraw/zinc/82/64/04/795826404.db2.gz LEKHKQNAGMOKSP-MJBXVCDLSA-N 1 1 308.309 2.070 20 5 DEBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1C[C@@H]1F ZINC001122952142 795826412 /nfs/dbraw/zinc/82/64/12/795826412.db2.gz LEKHKQNAGMOKSP-MJBXVCDLSA-N 1 1 308.309 2.070 20 5 DEBDMO O=C(OC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001123247660 795879120 /nfs/dbraw/zinc/87/91/20/795879120.db2.gz MUCJFCYZDATRMW-ZDUSSCGKSA-N 1 1 320.345 2.005 20 5 DEBDMO O=C1OCC[C@@]12CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC001184389094 796052612 /nfs/dbraw/zinc/05/26/12/796052612.db2.gz URZZCVQRACXQGL-CQSZACIVSA-N 1 1 310.737 2.387 20 5 DEBDMO COc1nc(C)c([N+](=O)[O-])c(NCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001156928625 798112064 /nfs/dbraw/zinc/11/20/64/798112064.db2.gz OLJFKCVASSLAKH-NSHDSACASA-N 1 1 323.397 2.378 20 5 DEBDMO CC(C)Oc1nc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001157270771 798174184 /nfs/dbraw/zinc/17/41/84/798174184.db2.gz GGMRBGNEUUFWAE-OCCSQVGLSA-N 1 1 320.393 2.307 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001198421953 798332314 /nfs/dbraw/zinc/33/23/14/798332314.db2.gz QGYNNQSXFDQVAG-STQMWFEESA-N 1 1 313.760 2.476 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001198421953 798332321 /nfs/dbraw/zinc/33/23/21/798332321.db2.gz QGYNNQSXFDQVAG-STQMWFEESA-N 1 1 313.760 2.476 20 5 DEBDMO O=[N+]([O-])c1cnc(NCC[NH+]2CCC(F)(F)CC2)c(F)c1 ZINC001160749070 798735913 /nfs/dbraw/zinc/73/59/13/798735913.db2.gz JJJNQRKKAUBKHU-UHFFFAOYSA-N 1 1 304.272 2.272 20 5 DEBDMO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)n1 ZINC001163360585 799322949 /nfs/dbraw/zinc/32/29/49/799322949.db2.gz FCEMTLJPQKGTRH-JQWIXIFHSA-N 1 1 323.397 2.233 20 5 DEBDMO [NH3+][C@@H]1CN(c2ccc3cccc([N+](=O)[O-])c3n2)CCC1(F)F ZINC001164319984 799570421 /nfs/dbraw/zinc/57/04/21/799570421.db2.gz VEUSKYLTKCZQIQ-LLVKDONJSA-N 1 1 308.288 2.316 20 5 DEBDMO O=C1NCCC2(CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)O1 ZINC000932764610 799926938 /nfs/dbraw/zinc/92/69/38/799926938.db2.gz ZDKWPODAOSJAQF-UHFFFAOYSA-N 1 1 323.324 2.198 20 5 DEBDMO CCO[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000932974382 799985242 /nfs/dbraw/zinc/98/52/42/799985242.db2.gz CERHRTSPFJNMQA-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO CCO[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000932974382 799985246 /nfs/dbraw/zinc/98/52/46/799985246.db2.gz CERHRTSPFJNMQA-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)cc1 ZINC000933673542 800158491 /nfs/dbraw/zinc/15/84/91/800158491.db2.gz WIOHHFAJYAJNKV-RDJZCZTQSA-N 1 1 320.389 2.265 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000933928551 800216845 /nfs/dbraw/zinc/21/68/45/800216845.db2.gz BDKKCEGFYFMZTA-NSHDSACASA-N 1 1 323.418 2.388 20 5 DEBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934120460 800267649 /nfs/dbraw/zinc/26/76/49/800267649.db2.gz WYODEDSTOQVRQR-KBPBESRZSA-N 1 1 307.350 2.033 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000935088901 800555871 /nfs/dbraw/zinc/55/58/71/800555871.db2.gz HFMNPQRFPPGYNE-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000935211096 800595814 /nfs/dbraw/zinc/59/58/14/800595814.db2.gz AWDBCJFIUSQLHD-MNOVXSKESA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000935211096 800595820 /nfs/dbraw/zinc/59/58/20/800595820.db2.gz AWDBCJFIUSQLHD-MNOVXSKESA-N 1 1 323.418 2.481 20 5 DEBDMO C[N@H+]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000935804736 800774055 /nfs/dbraw/zinc/77/40/55/800774055.db2.gz DWNRCLJCYRJNGF-CABCVRRESA-N 1 1 317.389 2.251 20 5 DEBDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000935804746 800774960 /nfs/dbraw/zinc/77/49/60/800774960.db2.gz DWNRCLJCYRJNGF-LSDHHAIUSA-N 1 1 317.389 2.251 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000935928836 800801594 /nfs/dbraw/zinc/80/15/94/800801594.db2.gz MLRYLMPHAMRAOC-APHBMKBZSA-N 1 1 317.389 2.251 20 5 DEBDMO C[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229080522 801219495 /nfs/dbraw/zinc/21/94/95/801219495.db2.gz GGTGKUIFYHSQLL-SECBINFHSA-N 1 1 301.140 2.440 20 5 DEBDMO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001229882506 801332927 /nfs/dbraw/zinc/33/29/27/801332927.db2.gz NZKYQUKLNDAWEQ-SGIREYDYSA-N 1 1 304.346 2.395 20 5 DEBDMO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001230246143 801374255 /nfs/dbraw/zinc/37/42/55/801374255.db2.gz JKGKDOMSWKXNBS-LBPRGKRZSA-N 1 1 316.317 2.144 20 5 DEBDMO CC[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2NC(C)=O)C1 ZINC001230245858 801375023 /nfs/dbraw/zinc/37/50/23/801375023.db2.gz DQVKXPIOIKICKN-CYBMUJFWSA-N 1 1 307.350 2.416 20 5 DEBDMO CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(CC(C)=O)c2F)C1 ZINC001230794653 801495059 /nfs/dbraw/zinc/49/50/59/801495059.db2.gz QRPCXGLHNGMASJ-LLVKDONJSA-N 1 1 310.325 2.338 20 5 DEBDMO CC[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(CC(C)=O)c2F)C1 ZINC001230794653 801495063 /nfs/dbraw/zinc/49/50/63/801495063.db2.gz QRPCXGLHNGMASJ-LLVKDONJSA-N 1 1 310.325 2.338 20 5 DEBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3cccc(Cl)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001230915688 801530437 /nfs/dbraw/zinc/53/04/37/801530437.db2.gz SXJNUTPQUIIPSB-KDDOJWQBSA-N 1 1 310.737 2.431 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@H](Oc3cccc(Cl)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001230915688 801530443 /nfs/dbraw/zinc/53/04/43/801530443.db2.gz SXJNUTPQUIIPSB-KDDOJWQBSA-N 1 1 310.737 2.431 20 5 DEBDMO O=[N+]([O-])c1cccc2ncnc(OC3CC[NH+](CCF)CC3)c21 ZINC001231053341 801564724 /nfs/dbraw/zinc/56/47/24/801564724.db2.gz PGMSEOIIYHLHCB-UHFFFAOYSA-N 1 1 320.324 2.351 20 5 DEBDMO O=C1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CCN1 ZINC001232219354 801819187 /nfs/dbraw/zinc/81/91/87/801819187.db2.gz PXHJWFSYNADPKZ-UHFFFAOYSA-N 1 1 306.369 2.105 20 5 DEBDMO C[C@H]1CC[NH2+]CC[C@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001218029155 802134450 /nfs/dbraw/zinc/13/44/50/802134450.db2.gz ZIDOHWGGWFMEQH-TVQRCGJNSA-N 1 1 318.333 2.011 20 5 DEBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001233983824 802258143 /nfs/dbraw/zinc/25/81/43/802258143.db2.gz AIVXNDMJAUGVAO-ZDUSSCGKSA-N 1 1 317.345 2.105 20 5 DEBDMO COC(=O)[C@@H](O[C@H]1CCC[N@@H+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001223645058 802805659 /nfs/dbraw/zinc/80/56/59/802805659.db2.gz ZKDNWAJPZXJBLP-WFASDCNBSA-N 1 1 322.361 2.310 20 5 DEBDMO COC(=O)c1cc(CO[C@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001223688565 802808869 /nfs/dbraw/zinc/80/88/69/802808869.db2.gz OVHLENLXTKKYCU-HNNXBMFYSA-N 1 1 322.361 2.381 20 5 DEBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001227122351 803204076 /nfs/dbraw/zinc/20/40/76/803204076.db2.gz NVUPGDCQDGAGAK-ZSBIGDGJSA-N 1 1 320.345 2.385 20 5 DEBDMO COc1c(O)ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC001334286849 1150259371 /nfs/dbraw/zinc/25/93/71/1150259371.db2.gz HHMQMJHZTDAXHB-DGCLKSJQSA-N 1 1 323.393 2.081 20 5 DEBDMO CCC/C=C/CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001331015278 1149360400 /nfs/dbraw/zinc/36/04/00/1149360400.db2.gz BXRKXPHLVSEBJO-DOOVEFGSSA-N 1 1 323.437 2.321 20 5 DEBDMO CCC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001331015278 1149360406 /nfs/dbraw/zinc/36/04/06/1149360406.db2.gz BXRKXPHLVSEBJO-DOOVEFGSSA-N 1 1 323.437 2.321 20 5 DEBDMO CCC/C=C/CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001331015278 1149360415 /nfs/dbraw/zinc/36/04/15/1149360415.db2.gz BXRKXPHLVSEBJO-DOOVEFGSSA-N 1 1 323.437 2.321 20 5 DEBDMO CCC/C=C\CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001331015279 1149360786 /nfs/dbraw/zinc/36/07/86/1149360786.db2.gz BXRKXPHLVSEBJO-ILNYKDOHSA-N 1 1 323.437 2.321 20 5 DEBDMO CCC/C=C\CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001331015279 1149360790 /nfs/dbraw/zinc/36/07/90/1149360790.db2.gz BXRKXPHLVSEBJO-ILNYKDOHSA-N 1 1 323.437 2.321 20 5 DEBDMO CCC/C=C\CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001331015279 1149360797 /nfs/dbraw/zinc/36/07/97/1149360797.db2.gz BXRKXPHLVSEBJO-ILNYKDOHSA-N 1 1 323.437 2.321 20 5 DEBDMO C[N@H+](CCCF)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC001331062151 1149371623 /nfs/dbraw/zinc/37/16/23/1149371623.db2.gz PUQSNKUIRGJLLC-AWEZNQCLSA-N 1 1 309.341 2.160 20 5 DEBDMO C[N@@H+](CCCF)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC001331062151 1149371631 /nfs/dbraw/zinc/37/16/31/1149371631.db2.gz PUQSNKUIRGJLLC-AWEZNQCLSA-N 1 1 309.341 2.160 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1[N+](=O)[O-] ZINC001334919435 1150354860 /nfs/dbraw/zinc/35/48/60/1150354860.db2.gz XAOHSIHSBFNWHZ-SMDDNHRTSA-N 1 1 322.361 2.310 20 5 DEBDMO COCn1ncc(C)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001343170637 1150700803 /nfs/dbraw/zinc/70/08/03/1150700803.db2.gz OHCNXMLJTKKZKR-UHFFFAOYSA-N 1 1 318.377 2.378 20 5 DEBDMO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3cccc([N+](=O)[O-])c3)C[N@H+]2C1 ZINC001346369428 1150975502 /nfs/dbraw/zinc/97/55/02/1150975502.db2.gz QZGIZVLFTZJURP-BPLDGKMQSA-N 1 1 317.389 2.331 20 5 DEBDMO CC1(C)CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001603777835 1070096696 /nfs/dbraw/zinc/09/66/96/1070096696.db2.gz SAQSFJBCRSLWHL-UHFFFAOYSA-N 1 1 316.365 2.397 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC001526183344 1070235298 /nfs/dbraw/zinc/23/52/98/1070235298.db2.gz XHTJWALEFNLGBW-QWRGUYRKSA-N 1 1 309.341 2.207 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001456179550 1057825305 /nfs/dbraw/zinc/82/53/05/1057825305.db2.gz UGWCALIBQHXDJI-ZDUSSCGKSA-N 1 1 309.341 2.112 20 5 DEBDMO CC[C@H](C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)C(N)=O ZINC001460763055 1058499866 /nfs/dbraw/zinc/49/98/66/1058499866.db2.gz PIUZIZKHAOGHBU-NHYWBVRUSA-N 1 1 323.393 2.372 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@@H]2C[N@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC001472025914 1060369811 /nfs/dbraw/zinc/36/98/11/1060369811.db2.gz ILIAZAQJHVELNN-GFCCVEGCSA-N 1 1 309.341 2.112 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC001472450458 1060508423 /nfs/dbraw/zinc/50/84/23/1060508423.db2.gz KPVOFMUTVZCHBC-LBPRGKRZSA-N 1 1 323.418 2.483 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2(c3ncccn3)CCC2)cc1 ZINC001473753029 1060718415 /nfs/dbraw/zinc/71/84/15/1060718415.db2.gz XZOYKASNPSJHLI-CQSZACIVSA-N 1 1 314.345 2.087 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](c2ncccn2)C2CC2)cc1 ZINC001473815601 1060734650 /nfs/dbraw/zinc/73/46/50/1060734650.db2.gz JRJPMNJPXQCWMR-LSDHHAIUSA-N 1 1 314.345 2.159 20 5 DEBDMO C[N@H+](CCNC(=O)C1(CF)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001567305397 1064141132 /nfs/dbraw/zinc/14/11/32/1064141132.db2.gz YPCXBLAYJPIXII-UHFFFAOYSA-N 1 1 323.368 2.283 20 5 DEBDMO C[N@@H+](CCNC(=O)C1(CF)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001567305397 1064141138 /nfs/dbraw/zinc/14/11/38/1064141138.db2.gz YPCXBLAYJPIXII-UHFFFAOYSA-N 1 1 323.368 2.283 20 5 DEBDMO O=C(NCC1([NH2+]CCCC2CCC2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001568234855 1064721311 /nfs/dbraw/zinc/72/13/11/1064721311.db2.gz GIEZVVHYGWDQKF-HUUCEWRRSA-N 1 1 323.437 2.251 20 5 DEBDMO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001617209688 1078140542 /nfs/dbraw/zinc/14/05/42/1078140542.db2.gz ZHKCNPPKQVZQPQ-BONVTDFDSA-N 1 1 318.333 2.302 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC001630301092 1078337236 /nfs/dbraw/zinc/33/72/36/1078337236.db2.gz YMOHWXSNGAFMNP-AWEZNQCLSA-N 1 1 305.378 2.331 20 5 DEBDMO C[C@]([NH3+])(C(=O)N1CCC(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001576081962 1066489643 /nfs/dbraw/zinc/48/96/43/1066489643.db2.gz QJGFECWVSAMSJD-QGZVFWFLSA-N 1 1 317.389 2.417 20 5 DEBDMO C[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])c2cc(F)ccc2C[NH2+]1 ZINC001576768093 1066684409 /nfs/dbraw/zinc/68/44/09/1066684409.db2.gz CWYFGLPDKCRBNR-NSHDSACASA-N 1 1 323.368 2.486 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001640319928 1078654124 /nfs/dbraw/zinc/65/41/24/1078654124.db2.gz FARGERWXPGRITQ-NSHDSACASA-N 1 1 304.325 2.210 20 5 DEBDMO O=C(OC[C@H]1CC[N@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001520059421 1069094991 /nfs/dbraw/zinc/09/49/91/1069094991.db2.gz CRPNUODTKPSMTQ-OAHLLOKOSA-N 1 1 320.345 2.005 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC001645238118 1078888181 /nfs/dbraw/zinc/88/81/81/1078888181.db2.gz YNCHLFXMCBVQCT-NSHDSACASA-N 1 1 311.769 2.318 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC001558504504 1075096730 /nfs/dbraw/zinc/09/67/30/1075096730.db2.gz YGWNBSDWCZXOKI-LBPRGKRZSA-N 1 1 311.769 2.318 20 5 DEBDMO CC(C)CC[N@@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589600507 1076501798 /nfs/dbraw/zinc/50/17/98/1076501798.db2.gz NQSKJNXJKBUIAG-UHFFFAOYSA-N 1 1 304.354 2.253 20 5 DEBDMO CC[C@]1(C)CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590489449 1076638152 /nfs/dbraw/zinc/63/81/52/1076638152.db2.gz HHMVFGGDDZMSFB-OAHLLOKOSA-N 1 1 316.365 2.397 20 5 DEBDMO O=C(N[C@@]12CC[N@@H+](C1)CCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001595645913 1077065342 /nfs/dbraw/zinc/06/53/42/1077065342.db2.gz GHJWNYBQAWOTJE-AWEZNQCLSA-N 1 1 309.753 2.216 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001597237544 1077090910 /nfs/dbraw/zinc/09/09/10/1077090910.db2.gz OLDRSZIRAUECNC-OAHLLOKOSA-N 1 1 319.405 2.374 20 5 DEBDMO CCC(C)(C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609183192 1077788063 /nfs/dbraw/zinc/78/80/63/1077788063.db2.gz WBUUUSJYJGWQLB-UHFFFAOYSA-N 1 1 304.354 2.395 20 5 DEBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609198492 1077794144 /nfs/dbraw/zinc/79/41/44/1077794144.db2.gz BSDRMUHNBKLAPV-MNOVXSKESA-N 1 1 316.365 2.395 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCCC1 ZINC001609278883 1077822419 /nfs/dbraw/zinc/82/24/19/1077822419.db2.gz ZKQMBSGOLUKKIU-UHFFFAOYSA-N 1 1 302.338 2.149 20 5 DEBDMO C[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001651143482 1079790592 /nfs/dbraw/zinc/79/05/92/1079790592.db2.gz DAKMVXDPVXLGKV-ZDUSSCGKSA-N 1 1 315.377 2.039 20 5 DEBDMO C[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001651143482 1079790601 /nfs/dbraw/zinc/79/06/01/1079790601.db2.gz DAKMVXDPVXLGKV-ZDUSSCGKSA-N 1 1 315.377 2.039 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2nn(C)cc2[N+](=O)[O-])C1 ZINC001651397063 1079808412 /nfs/dbraw/zinc/80/84/12/1079808412.db2.gz KFXPYRLFUQKVCA-XQQFMLRXSA-N 1 1 307.398 2.170 20 5 DEBDMO COc1ccc(CN[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001655872520 1080022351 /nfs/dbraw/zinc/02/23/51/1080022351.db2.gz XNSKWDBFRJIPBX-FZMZJTMJSA-N 1 1 305.378 2.176 20 5 DEBDMO COc1ccc(CN[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001655872520 1080022362 /nfs/dbraw/zinc/02/23/62/1080022362.db2.gz XNSKWDBFRJIPBX-FZMZJTMJSA-N 1 1 305.378 2.176 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@@]23CCOC3)c1 ZINC001660668255 1080377239 /nfs/dbraw/zinc/37/72/39/1080377239.db2.gz XTBDVKKTPCBZCF-HOTGVXAUSA-N 1 1 306.362 2.273 20 5 DEBDMO CC(C)[N@@H+](C)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107233171 1080688000 /nfs/dbraw/zinc/68/80/00/1080688000.db2.gz LTIZKWOSYIZATI-PLNGDYQASA-N 1 1 320.393 2.019 20 5 DEBDMO C/C(=C\C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001266260869 1081924212 /nfs/dbraw/zinc/92/42/12/1081924212.db2.gz XQWTXVRWQFDARG-ACCUITESSA-N 1 1 317.389 2.499 20 5 DEBDMO O=C(NC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC001482980696 1082595166 /nfs/dbraw/zinc/59/51/66/1082595166.db2.gz KJGHLIUZTPUNMT-UPHRSURJSA-N 1 1 320.374 2.060 20 5 DEBDMO COc1cc(C(=O)Nc2cc(C)[nH+]c(C)c2)ccc1[N+](=O)[O-] ZINC001319775009 1140711647 /nfs/dbraw/zinc/71/16/47/1140711647.db2.gz ASKZPOXPMPQCQI-UHFFFAOYSA-N 1 1 301.302 2.289 20 5 DEBDMO COc1ccc(C[C@@H](C)NCC2([NH3+])CCCC2)c([N+](=O)[O-])c1 ZINC001246075672 1140857913 /nfs/dbraw/zinc/85/79/13/1140857913.db2.gz MJFDILOFGNFCAB-GFCCVEGCSA-N 1 1 307.394 2.396 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001246572138 1140975322 /nfs/dbraw/zinc/97/53/22/1140975322.db2.gz UMYHRWNBUJQNTK-GWCFXTLKSA-N 1 1 317.311 2.491 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN[C@H](C(F)(F)F)C1 ZINC001246983247 1141214776 /nfs/dbraw/zinc/21/47/76/1141214776.db2.gz GLZMFGPRTYWOKF-MFKMUULPSA-N 1 1 317.311 2.362 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN[C@H](C(F)(F)F)C1 ZINC001246983247 1141214789 /nfs/dbraw/zinc/21/47/89/1141214789.db2.gz GLZMFGPRTYWOKF-MFKMUULPSA-N 1 1 317.311 2.362 20 5 DEBDMO C[N@@H+](CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001336754715 1142558800 /nfs/dbraw/zinc/55/88/00/1142558800.db2.gz DPXCBJBIWUDXJA-KRWDZBQOSA-N 1 1 321.421 2.482 20 5 DEBDMO CN(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001336754715 1142558817 /nfs/dbraw/zinc/55/88/17/1142558817.db2.gz DPXCBJBIWUDXJA-KRWDZBQOSA-N 1 1 321.421 2.482 20 5 DEBDMO COc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC001336886240 1142615230 /nfs/dbraw/zinc/61/52/30/1142615230.db2.gz LRRLMJXXVSXTMI-HOSYDEDBSA-N 1 1 309.341 2.495 20 5 DEBDMO CO[C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1F ZINC001254473659 1143131076 /nfs/dbraw/zinc/13/10/76/1143131076.db2.gz HEKBXUUALYDEJQ-JKSUJKDBSA-N 1 1 323.368 2.232 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001254560951 1143247724 /nfs/dbraw/zinc/24/77/24/1143247724.db2.gz IMDDXINLLJZKFN-SUMWQHHRSA-N 1 1 317.389 2.128 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1nc(C3CC3)no1)C2 ZINC001254576397 1143259940 /nfs/dbraw/zinc/25/99/40/1143259940.db2.gz WKFSAQRNMYSSIZ-GFCCVEGCSA-N 1 1 300.318 2.112 20 5 DEBDMO COC(=O)C[C@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605525 1143279127 /nfs/dbraw/zinc/27/91/27/1143279127.db2.gz AZKUPUMZDMYOPJ-MLGOLLRUSA-N 1 1 318.373 2.337 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CC=CC1 ZINC001341377619 1143592043 /nfs/dbraw/zinc/59/20/43/1143592043.db2.gz UHJORECDNMWMOA-UHFFFAOYSA-N 1 1 321.402 2.308 20 5 DEBDMO C[N@H+]1C[C@@]23CN(c4ncccc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001262716532 1144330053 /nfs/dbraw/zinc/33/00/53/1144330053.db2.gz IRUGAAGKDXDCOV-IYBDPMFKSA-N 1 1 302.378 2.302 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001307196180 1147404623 /nfs/dbraw/zinc/40/46/23/1147404623.db2.gz RCCUXRZYXWWBTC-LLVKDONJSA-N 1 1 316.361 2.080 20 5 DEBDMO CCCCC(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001318101367 1147771512 /nfs/dbraw/zinc/77/15/12/1147771512.db2.gz MHTJORNPRBHZKX-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000612485481 361840520 /nfs/dbraw/zinc/84/05/20/361840520.db2.gz SZQPIISCYFTWPF-RYUDHWBXSA-N 1 1 323.368 2.390 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCOCC1CC1 ZINC000088600496 185259531 /nfs/dbraw/zinc/25/95/31/185259531.db2.gz XHJQZWAMRRYMJW-LBPRGKRZSA-N 1 1 321.377 2.280 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOCC1CC1 ZINC000088600496 185259532 /nfs/dbraw/zinc/25/95/32/185259532.db2.gz XHJQZWAMRRYMJW-LBPRGKRZSA-N 1 1 321.377 2.280 20 5 DEBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279715516 215084207 /nfs/dbraw/zinc/08/42/07/215084207.db2.gz IKABFJWPMUDEKZ-JGGQBBKZSA-N 1 1 308.378 2.254 20 5 DEBDMO Cc1c(CC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000269586705 186392260 /nfs/dbraw/zinc/39/22/60/186392260.db2.gz BPURMGHSERPRRW-ABAIWWIYSA-N 1 1 317.389 2.045 20 5 DEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000072693535 191215909 /nfs/dbraw/zinc/21/59/09/191215909.db2.gz GBKJSJPTAONRIB-RISCZKNCSA-N 1 1 303.362 2.458 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000174520778 198346128 /nfs/dbraw/zinc/34/61/28/198346128.db2.gz DUYFWQZVJBCUDF-LLVKDONJSA-N 1 1 309.341 2.148 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1 ZINC000174676248 198369505 /nfs/dbraw/zinc/36/95/05/198369505.db2.gz DVFGUEJVKTVVQL-KGLIPLIRSA-N 1 1 303.362 2.212 20 5 DEBDMO CCCC[N@@H+](CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000182145593 199393197 /nfs/dbraw/zinc/39/31/97/199393197.db2.gz MXWTUUPUYVIYJX-UHFFFAOYSA-N 1 1 323.393 2.326 20 5 DEBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711293 354085039 /nfs/dbraw/zinc/08/50/39/354085039.db2.gz JMKAVHBHLGRLBG-MRXNPFEDSA-N 1 1 316.357 2.467 20 5 DEBDMO C[C@@H](CNc1c([N+](=O)[O-])ncn1C)[N@H+]1CCc2ccccc2C1 ZINC000026729970 354085376 /nfs/dbraw/zinc/08/53/76/354085376.db2.gz MSKLPEGGQZBUAR-LBPRGKRZSA-N 1 1 315.377 2.187 20 5 DEBDMO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000045623446 354259563 /nfs/dbraw/zinc/25/95/63/354259563.db2.gz AFTYZGRGJFBEQJ-UKRRQHHQSA-N 1 1 318.377 2.021 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000046989485 354300111 /nfs/dbraw/zinc/30/01/11/354300111.db2.gz UPSZUAHNBHZLHO-LBPRGKRZSA-N 1 1 308.382 2.307 20 5 DEBDMO Cc1noc(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)c1[N+](=O)[O-] ZINC000595563111 358486088 /nfs/dbraw/zinc/48/60/88/358486088.db2.gz SFVBBYBZAIAECR-LLVKDONJSA-N 1 1 313.354 2.347 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000056240419 354526506 /nfs/dbraw/zinc/52/65/06/354526506.db2.gz YOSSOFURXGLWID-UONOGXRCSA-N 1 1 319.405 2.374 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC000338536344 283033572 /nfs/dbraw/zinc/03/35/72/283033572.db2.gz NUVYBWZEAZSVQT-GFCCVEGCSA-N 1 1 321.377 2.208 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000062649808 354637055 /nfs/dbraw/zinc/63/70/55/354637055.db2.gz MHAHAJSKPUHAML-GFCCVEGCSA-N 1 1 306.366 2.447 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000059885489 354606522 /nfs/dbraw/zinc/60/65/22/354606522.db2.gz SEOMFTWRIVBCLX-UHFFFAOYSA-N 1 1 302.334 2.228 20 5 DEBDMO O=C(C[NH2+]Cc1ccccc1[N+](=O)[O-])Nc1cccc(F)c1 ZINC000065668102 354687454 /nfs/dbraw/zinc/68/74/54/354687454.db2.gz AMJJGAHJIICFFU-UHFFFAOYSA-N 1 1 303.293 2.462 20 5 DEBDMO COc1ccc(C(=O)N2CCC[N@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000068800340 354833131 /nfs/dbraw/zinc/83/31/31/354833131.db2.gz SRXVYSJATICMJS-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000072723989 354916503 /nfs/dbraw/zinc/91/65/03/354916503.db2.gz SMHRRWQQNJEDNQ-LBPRGKRZSA-N 1 1 321.377 2.159 20 5 DEBDMO CN(C)CC[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000075669298 355100388 /nfs/dbraw/zinc/10/03/88/355100388.db2.gz DFEOAZFEFHCCHG-UHFFFAOYSA-N 1 1 310.373 2.172 20 5 DEBDMO Cc1nn(C)c(N2CCC[N@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000077994962 355240206 /nfs/dbraw/zinc/24/02/06/355240206.db2.gz ISNKFXREOGOHBW-UHFFFAOYSA-N 1 1 307.398 2.091 20 5 DEBDMO C[C@H](O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000089931139 355548890 /nfs/dbraw/zinc/54/88/90/355548890.db2.gz WJMOWTBHMZTLAJ-RWMBFGLXSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000089931139 355548894 /nfs/dbraw/zinc/54/88/94/355548894.db2.gz WJMOWTBHMZTLAJ-RWMBFGLXSA-N 1 1 321.377 2.015 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000108338749 355735156 /nfs/dbraw/zinc/73/51/56/355735156.db2.gz MFHFQJLTNIRVCA-GFCCVEGCSA-N 1 1 323.418 2.145 20 5 DEBDMO Cc1cc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000141936871 355892174 /nfs/dbraw/zinc/89/21/74/355892174.db2.gz YSHCEGZFUONNLI-AWEZNQCLSA-N 1 1 303.362 2.214 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOCC1(C)C ZINC000165846559 355975456 /nfs/dbraw/zinc/97/54/56/355975456.db2.gz YGYLBWJQUDAFDO-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000179263200 356019293 /nfs/dbraw/zinc/01/92/93/356019293.db2.gz KTPRGPSOLSLYHF-SMDDNHRTSA-N 1 1 323.418 2.209 20 5 DEBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000181644800 356087883 /nfs/dbraw/zinc/08/78/83/356087883.db2.gz RFBYHUOURPQWMW-CQSZACIVSA-N 1 1 320.389 2.455 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000590776548 357609770 /nfs/dbraw/zinc/60/97/70/357609770.db2.gz YZPXAEZNVCIZED-MFKMUULPSA-N 1 1 315.329 2.117 20 5 DEBDMO O=C(CC[N@H+]1CCC[C@@H]2COC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000590971688 357656241 /nfs/dbraw/zinc/65/62/41/357656241.db2.gz GBXMPTOMGLAJPC-DOMZBBRYSA-N 1 1 319.361 2.034 20 5 DEBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591475970 357728932 /nfs/dbraw/zinc/72/89/32/357728932.db2.gz DJNLISYZEJHCHO-ZIAGYGMSSA-N 1 1 308.378 2.314 20 5 DEBDMO Cc1cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000593187630 358029359 /nfs/dbraw/zinc/02/93/59/358029359.db2.gz MYYHDLXJWCSEFP-UPJWGTAASA-N 1 1 305.378 2.456 20 5 DEBDMO CC1=CC[N@@H+](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593606016 358110411 /nfs/dbraw/zinc/11/04/11/358110411.db2.gz NHJQKWHRYPEQEB-UHFFFAOYSA-N 1 1 321.352 2.045 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000593514742 358094976 /nfs/dbraw/zinc/09/49/76/358094976.db2.gz BVCFIMMXSNHZRN-GWCFXTLKSA-N 1 1 321.352 2.018 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594198164 358221826 /nfs/dbraw/zinc/22/18/26/358221826.db2.gz DPWQHYKEWCGLIN-UKRRQHHQSA-N 1 1 303.362 2.342 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594199224 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321.377 2.016 20 5 DEBDMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CCO ZINC000595695877 358525824 /nfs/dbraw/zinc/52/58/24/358525824.db2.gz ISJWPNXWGNKWRN-JSGCOSHPSA-N 1 1 321.377 2.016 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596235940 358647991 /nfs/dbraw/zinc/64/79/91/358647991.db2.gz CFNDFXYYDJRWAK-NSHDSACASA-N 1 1 308.382 2.226 20 5 DEBDMO C[N@H+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC12CCCCC2 ZINC000596251097 358651845 /nfs/dbraw/zinc/65/18/45/358651845.db2.gz NAYVWVGLZWKDTF-UHFFFAOYSA-N 1 1 306.366 2.150 20 5 DEBDMO CCC[N@H+]1CC[C@@H](Nc2nccc(C(=O)OCC)c2[N+](=O)[O-])C1 ZINC000596516894 358704255 /nfs/dbraw/zinc/70/42/55/358704255.db2.gz JASGHQBGJIELQG-LLVKDONJSA-N 1 1 322.365 2.063 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000596434409 358686790 /nfs/dbraw/zinc/68/67/90/358686790.db2.gz XZHJOTNRYAYQSA-STQMWFEESA-N 1 1 323.393 2.262 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000596434409 358686792 /nfs/dbraw/zinc/68/67/92/358686792.db2.gz XZHJOTNRYAYQSA-STQMWFEESA-N 1 1 323.393 2.262 20 5 DEBDMO COc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597922531 359041543 /nfs/dbraw/zinc/04/15/43/359041543.db2.gz FQVQRYIYMBWWNF-GFCCVEGCSA-N 1 1 321.377 2.206 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598217738 359126789 /nfs/dbraw/zinc/12/67/89/359126789.db2.gz ASLGLSPFNLKQHY-LLVKDONJSA-N 1 1 306.366 2.060 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000598343118 359169934 /nfs/dbraw/zinc/16/99/34/359169934.db2.gz RDBNFTFDNJWLJV-GFCCVEGCSA-N 1 1 323.418 2.287 20 5 DEBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnc(C4CC4)o3)CC2)n1 ZINC000600156081 359667367 /nfs/dbraw/zinc/66/73/67/359667367.db2.gz MVJAOSXCZAANFH-UHFFFAOYSA-N 1 1 317.349 2.494 20 5 DEBDMO CCC(O)(CC)C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600215858 359692269 /nfs/dbraw/zinc/69/22/69/359692269.db2.gz QHXBRDSLUHSWFT-UHFFFAOYSA-N 1 1 324.377 2.349 20 5 DEBDMO C[N@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1(C)C ZINC000601187277 359957719 /nfs/dbraw/zinc/95/77/19/359957719.db2.gz QGUSFYWKVZYVIO-UHFFFAOYSA-N 1 1 307.379 2.130 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602292065 360331915 /nfs/dbraw/zinc/33/19/15/360331915.db2.gz LLKGRTBYLFRELS-WCQYABFASA-N 1 1 321.352 2.290 20 5 DEBDMO CNC(=O)[C@@]1(C)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000281202644 216149523 /nfs/dbraw/zinc/14/95/23/216149523.db2.gz SXPGZSLSJFRDRY-YERXGYGTSA-N 1 1 303.362 2.066 20 5 DEBDMO COC(=O)c1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])on1 ZINC000602648455 360474996 /nfs/dbraw/zinc/47/49/96/360474996.db2.gz AJUVPJORZPLTMZ-UHFFFAOYSA-N 1 1 319.317 2.044 20 5 DEBDMO COC(=O)c1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])on1 ZINC000602648455 360475000 /nfs/dbraw/zinc/47/50/00/360475000.db2.gz AJUVPJORZPLTMZ-UHFFFAOYSA-N 1 1 319.317 2.044 20 5 DEBDMO CC[C@@]1(O)CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000602738211 360528379 /nfs/dbraw/zinc/52/83/79/360528379.db2.gz AUBARHANEUNBSX-MRXNPFEDSA-N 1 1 324.377 2.349 20 5 DEBDMO Cc1c(Cn2cc(C[NH+]3CCCC3)nn2)cccc1[N+](=O)[O-] ZINC000603197841 360742367 /nfs/dbraw/zinc/74/23/67/360742367.db2.gz OKFDCQKGFNHNNY-UHFFFAOYSA-N 1 1 301.350 2.139 20 5 DEBDMO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H]1CCOC1 ZINC000609631737 361331699 /nfs/dbraw/zinc/33/16/99/361331699.db2.gz SBWXYWYSQISBHV-CYBMUJFWSA-N 1 1 321.377 2.200 20 5 DEBDMO COc1ccccc1C[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000610699208 361448443 /nfs/dbraw/zinc/44/84/43/361448443.db2.gz TWUVPAYJMGXMIQ-UHFFFAOYSA-N 1 1 304.350 2.240 20 5 DEBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)N1CCCC1 ZINC000611253274 361561826 /nfs/dbraw/zinc/56/18/26/361561826.db2.gz RHEOXPJKGOZXOR-VURMDHGXSA-N 1 1 303.362 2.162 20 5 DEBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)N1CCCC1 ZINC000611253274 361561828 /nfs/dbraw/zinc/56/18/28/361561828.db2.gz RHEOXPJKGOZXOR-VURMDHGXSA-N 1 1 303.362 2.162 20 5 DEBDMO CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCOC1 ZINC000611256714 361563393 /nfs/dbraw/zinc/56/33/93/361563393.db2.gz RURRKVAFTWNEEC-GFCCVEGCSA-N 1 1 322.361 2.224 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000611204990 361548874 /nfs/dbraw/zinc/54/88/74/361548874.db2.gz DWSUEXXTWXQPLP-ZDUSSCGKSA-N 1 1 321.377 2.282 20 5 DEBDMO C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C(C)(C)C1 ZINC000611236509 361556754 /nfs/dbraw/zinc/55/67/54/361556754.db2.gz LRHWFLYGKZLTHB-UHFFFAOYSA-N 1 1 304.350 2.262 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611349053 361584164 /nfs/dbraw/zinc/58/41/64/361584164.db2.gz SYFVYJXMUQWAMD-ZIAGYGMSSA-N 1 1 305.378 2.062 20 5 DEBDMO CC[N@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000611713189 361666103 /nfs/dbraw/zinc/66/61/03/361666103.db2.gz ZTYNPKLRHIEYLH-NSHDSACASA-N 1 1 301.350 2.068 20 5 DEBDMO Cc1cc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000275400550 212309781 /nfs/dbraw/zinc/30/97/81/212309781.db2.gz BJQXKCUYIBGVEG-ZDUSSCGKSA-N 1 1 307.394 2.185 20 5 DEBDMO CC[N@@H+](C)CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000091461713 193059849 /nfs/dbraw/zinc/05/98/49/193059849.db2.gz YXGOLKSEODULBM-UHFFFAOYSA-N 1 1 303.160 2.116 20 5 DEBDMO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000449784273 241080210 /nfs/dbraw/zinc/08/02/10/241080210.db2.gz WKVXJXVYRZLGLW-OCCSQVGLSA-N 1 1 306.362 2.460 20 5 DEBDMO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000449784273 241080221 /nfs/dbraw/zinc/08/02/21/241080221.db2.gz WKVXJXVYRZLGLW-OCCSQVGLSA-N 1 1 306.362 2.460 20 5 DEBDMO CCOC[C@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543494 243091407 /nfs/dbraw/zinc/09/14/07/243091407.db2.gz CBJYYGNAUFFWFN-GDBMZVCRSA-N 1 1 308.378 2.172 20 5 DEBDMO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000453614613 245217789 /nfs/dbraw/zinc/21/77/89/245217789.db2.gz PWGMJVZEZGYZEQ-JTQLQIEISA-N 1 1 320.374 2.477 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264595712 204017600 /nfs/dbraw/zinc/01/76/00/204017600.db2.gz IEYJWGVCXLOWTP-VXGBXAGGSA-N 1 1 304.268 2.482 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264595712 204017604 /nfs/dbraw/zinc/01/76/04/204017604.db2.gz IEYJWGVCXLOWTP-VXGBXAGGSA-N 1 1 304.268 2.482 20 5 DEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000264653290 204054509 /nfs/dbraw/zinc/05/45/09/204054509.db2.gz HDBVVKDWXNUCDG-JTQLQIEISA-N 1 1 303.318 2.023 20 5 DEBDMO Cc1ccc(NC(=O)NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000264781118 204149567 /nfs/dbraw/zinc/14/95/67/204149567.db2.gz BQKMUHHETKUGDC-UHFFFAOYSA-N 1 1 324.406 2.074 20 5 DEBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000264755992 204131192 /nfs/dbraw/zinc/13/11/92/204131192.db2.gz MACKFHANKQBEON-GFCCVEGCSA-N 1 1 316.361 2.173 20 5 DEBDMO CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000265971428 205008319 /nfs/dbraw/zinc/00/83/19/205008319.db2.gz KXDANOVBIVRYSR-OAHLLOKOSA-N 1 1 319.405 2.425 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C(C)C)CC2)c1 ZINC000266059950 205065394 /nfs/dbraw/zinc/06/53/94/205065394.db2.gz CAKDYDUHGVKGMT-UHFFFAOYSA-N 1 1 305.378 2.460 20 5 DEBDMO COc1cc(NC[C@H](C(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000266118939 205113246 /nfs/dbraw/zinc/11/32/46/205113246.db2.gz MBVATTYQHNVKED-OAHLLOKOSA-N 1 1 323.393 2.372 20 5 DEBDMO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454774811 246140876 /nfs/dbraw/zinc/14/08/76/246140876.db2.gz FECKVBRVLLSDSS-SLEUVZQESA-N 1 1 320.393 2.438 20 5 DEBDMO COc1cccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000458186056 248190722 /nfs/dbraw/zinc/19/07/22/248190722.db2.gz HHNRMINLRZJHOD-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492341380 249043162 /nfs/dbraw/zinc/04/31/62/249043162.db2.gz MYKCLWVAEPMFMQ-KPRDYVAISA-N 1 1 303.362 2.159 20 5 DEBDMO C[C@@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000492449515 249067476 /nfs/dbraw/zinc/06/74/76/249067476.db2.gz OTDKGPIRIMVMGB-MEJMFZKBSA-N 1 1 315.373 2.375 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493089180 249218353 /nfs/dbraw/zinc/21/83/53/249218353.db2.gz VYKBPNKLUKOKCN-ATWMFIQVSA-N 1 1 303.362 2.161 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493271262 249266191 /nfs/dbraw/zinc/26/61/91/249266191.db2.gz MDBIGDKSMBSMKG-HSBSLETESA-N 1 1 303.362 2.161 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000493565976 249326056 /nfs/dbraw/zinc/32/60/56/249326056.db2.gz YQJNVCROBKWWCL-XITLMJRVSA-N 1 1 317.389 2.407 20 5 DEBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273978441 211235283 /nfs/dbraw/zinc/23/52/83/211235283.db2.gz 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ZINC000050116777 183773718 /nfs/dbraw/zinc/77/37/18/183773718.db2.gz LBRUVUAALIJFBT-NSHDSACASA-N 1 1 315.167 2.314 20 5 DEBDMO CCOc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000057720093 184049762 /nfs/dbraw/zinc/04/97/62/184049762.db2.gz FJPKDUOSLRHKLV-LLVKDONJSA-N 1 1 321.377 2.206 20 5 DEBDMO CCO[C@H]1C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000555964773 291809569 /nfs/dbraw/zinc/80/95/69/291809569.db2.gz YUOASMYWZGEGLR-JQWIXIFHSA-N 1 1 302.277 2.463 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000270154292 208216465 /nfs/dbraw/zinc/21/64/65/208216465.db2.gz ROEHOWALKUQCGX-IUODEOHRSA-N 1 1 321.377 2.016 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1cncs1)CCO2 ZINC000411748947 285142142 /nfs/dbraw/zinc/14/21/42/285142142.db2.gz UBLJRKFTQQXEIR-UHFFFAOYSA-N 1 1 305.359 2.488 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1cncs1)CCO2 ZINC000411748947 285142143 /nfs/dbraw/zinc/14/21/43/285142143.db2.gz UBLJRKFTQQXEIR-UHFFFAOYSA-N 1 1 305.359 2.488 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000176202318 285168009 /nfs/dbraw/zinc/16/80/09/285168009.db2.gz CYYWBCXPBSOGQQ-OAHLLOKOSA-N 1 1 300.362 2.498 20 5 DEBDMO Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])c1 ZINC000155100663 197022035 /nfs/dbraw/zinc/02/20/35/197022035.db2.gz QVOCIDIGIDHODG-CJNGLKHVSA-N 1 1 317.389 2.460 20 5 DEBDMO COC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000542522121 285230883 /nfs/dbraw/zinc/23/08/83/285230883.db2.gz JZPARWSSKIFNTG-CYBMUJFWSA-N 1 1 320.349 2.405 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000120726933 195225658 /nfs/dbraw/zinc/22/56/58/195225658.db2.gz CSURDDIFFYMOMD-QTPKMNKOSA-N 1 1 317.389 2.407 20 5 DEBDMO Cc1n[nH]c(C(=O)NCCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000299509925 533665407 /nfs/dbraw/zinc/66/54/07/533665407.db2.gz FTESTPKNDXEBJI-UHFFFAOYSA-N 1 1 323.397 2.011 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000546704870 285519562 /nfs/dbraw/zinc/51/95/62/285519562.db2.gz HCORKSDTLIXWKR-UHFFFAOYSA-N 1 1 304.350 2.362 20 5 DEBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000357957552 133112218 /nfs/dbraw/zinc/11/22/18/133112218.db2.gz IQSATFRQHKJDSJ-NWANDNLSSA-N 1 1 322.409 2.317 20 5 DEBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000359942730 133154412 /nfs/dbraw/zinc/15/44/12/133154412.db2.gz OLDNLLMPIATROA-NEPJUHHUSA-N 1 1 321.377 2.076 20 5 DEBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000359942730 133154413 /nfs/dbraw/zinc/15/44/13/133154413.db2.gz OLDNLLMPIATROA-NEPJUHHUSA-N 1 1 321.377 2.076 20 5 DEBDMO O=C1CCc2cc([N+](=O)[O-])c(NCC[N@@H+]3CC=CCC3)cc2N1 ZINC000360101030 133162147 /nfs/dbraw/zinc/16/21/47/133162147.db2.gz HRDRJPJHOLFNHQ-UHFFFAOYSA-N 1 1 316.361 2.153 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(CSCC[NH+]3CCOCC3)nc2c1 ZINC000361964606 133202016 /nfs/dbraw/zinc/20/20/16/133202016.db2.gz 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C[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000564871951 292116884 /nfs/dbraw/zinc/11/68/84/292116884.db2.gz RSFSFQXLDYMFJU-IVMMDQJWSA-N 1 1 317.389 2.251 20 5 DEBDMO C[C@H](O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000305883137 145348645 /nfs/dbraw/zinc/34/86/45/145348645.db2.gz WIYFRMVQEQGGJE-UWVGGRQHSA-N 1 1 316.304 2.399 20 5 DEBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000305883137 145348646 /nfs/dbraw/zinc/34/86/46/145348646.db2.gz WIYFRMVQEQGGJE-UWVGGRQHSA-N 1 1 316.304 2.399 20 5 DEBDMO CC(=O)c1cc(N2CCC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000317875622 145366832 /nfs/dbraw/zinc/36/68/32/145366832.db2.gz SHNKBKLFTYRMKJ-CQSZACIVSA-N 1 1 303.362 2.472 20 5 DEBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346165073 146029135 /nfs/dbraw/zinc/02/91/35/146029135.db2.gz DRTMVBCWGGBYPS-LOWVWBTDSA-N 1 1 323.418 2.459 20 5 DEBDMO Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])ccc2C)[nH+]1 ZINC000346307434 146057938 /nfs/dbraw/zinc/05/79/38/146057938.db2.gz SKHCMZRBRFTROL-UHFFFAOYSA-N 1 1 314.345 2.449 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356421857 146907773 /nfs/dbraw/zinc/90/77/73/146907773.db2.gz JHORLTKPIDDHJJ-YGRLFVJLSA-N 1 1 309.341 2.146 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000349119455 146352371 /nfs/dbraw/zinc/35/23/71/146352371.db2.gz PWYUWABTKGVWOA-HNNXBMFYSA-N 1 1 305.378 2.128 20 5 DEBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000349183366 146357187 /nfs/dbraw/zinc/35/71/87/146357187.db2.gz GQHPKBPEUWLOGE-GFCCVEGCSA-N 1 1 304.325 2.457 20 5 DEBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1=CC[N@@H+](C)CC1 ZINC000358370649 147121695 /nfs/dbraw/zinc/12/16/95/147121695.db2.gz DIGWAISKMJIPQI-LLVKDONJSA-N 1 1 321.352 2.043 20 5 DEBDMO CO[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000371734400 148135341 /nfs/dbraw/zinc/13/53/41/148135341.db2.gz FPBSSWZXUWBKTJ-CYBMUJFWSA-N 1 1 321.377 2.424 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000374364163 148236024 /nfs/dbraw/zinc/23/60/24/148236024.db2.gz FSFWEYBEZDAMMB-RDJZCZTQSA-N 1 1 320.389 2.377 20 5 DEBDMO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc[nH+]1 ZINC000112496061 401747088 /nfs/dbraw/zinc/74/70/88/401747088.db2.gz KLBFDUOQGLPCSP-UHFFFAOYSA-N 1 1 307.331 2.407 20 5 DEBDMO COC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000112633501 401751964 /nfs/dbraw/zinc/75/19/64/401751964.db2.gz KEEXGVYGGXQEPX-AWEZNQCLSA-N 1 1 322.361 2.139 20 5 DEBDMO COC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000112633501 401751965 /nfs/dbraw/zinc/75/19/65/401751965.db2.gz KEEXGVYGGXQEPX-AWEZNQCLSA-N 1 1 322.361 2.139 20 5 DEBDMO COC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000112990648 401764287 /nfs/dbraw/zinc/76/42/87/401764287.db2.gz RKGNGUDTBGBSQU-LBPRGKRZSA-N 1 1 322.361 2.320 20 5 DEBDMO COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000112987521 401764356 /nfs/dbraw/zinc/76/43/56/401764356.db2.gz ZMPKXWFGKZMMOS-STQMWFEESA-N 1 1 321.377 2.280 20 5 DEBDMO COC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000112987521 401764358 /nfs/dbraw/zinc/76/43/58/401764358.db2.gz ZMPKXWFGKZMMOS-STQMWFEESA-N 1 1 321.377 2.280 20 5 DEBDMO COCCOC[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000075950475 401774470 /nfs/dbraw/zinc/77/44/70/401774470.db2.gz QBSDUJYDFJNPHV-HNNXBMFYSA-N 1 1 308.378 2.122 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000115636445 401834382 /nfs/dbraw/zinc/83/43/82/401834382.db2.gz INBLDQVRCXTDMB-LBPRGKRZSA-N 1 1 306.366 2.400 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087006543 401925596 /nfs/dbraw/zinc/92/55/96/401925596.db2.gz ZWNPUCVUFAVOON-OAHLLOKOSA-N 1 1 305.378 2.128 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000119135576 401928144 /nfs/dbraw/zinc/92/81/44/401928144.db2.gz UZFIUNIMXDQFCI-OAHLLOKOSA-N 1 1 318.421 2.201 20 5 DEBDMO C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000087277204 401930046 /nfs/dbraw/zinc/93/00/46/401930046.db2.gz LUFVMAXLPLXLFD-GFCCVEGCSA-N 1 1 305.378 2.126 20 5 DEBDMO CC[N@@H+](C)CCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000119777114 401966074 /nfs/dbraw/zinc/96/60/74/401966074.db2.gz GHGWCPMKNWHIHT-UHFFFAOYSA-N 1 1 322.409 2.168 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000046955560 401976276 /nfs/dbraw/zinc/97/62/76/401976276.db2.gz ULXXICIFXRLFBI-NSHDSACASA-N 1 1 322.365 2.067 20 5 DEBDMO C[N@@H+](CCNc1c(Br)cncc1[N+](=O)[O-])C1CC1 ZINC000091459887 401996478 /nfs/dbraw/zinc/99/64/78/401996478.db2.gz CFBDIGGWVAFKPN-UHFFFAOYSA-N 1 1 315.171 2.258 20 5 DEBDMO COC(=O)[C@]1(C)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093813533 402021121 /nfs/dbraw/zinc/02/11/21/402021121.db2.gz NCBGOOJIPTTWLU-BIENSFFJSA-N 1 1 304.346 2.493 20 5 DEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000058957937 402103083 /nfs/dbraw/zinc/10/30/83/402103083.db2.gz VZXLHZHXWSVPTC-LBPRGKRZSA-N 1 1 316.361 2.095 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000123789977 402146027 /nfs/dbraw/zinc/14/60/27/402146027.db2.gz JCEGEDGITIHKNP-UHFFFAOYSA-N 1 1 320.393 2.003 20 5 DEBDMO COCC[N@@H+](C)CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153580864 402154687 /nfs/dbraw/zinc/15/46/87/402154687.db2.gz NVGKVAPOEHNCJK-UHFFFAOYSA-N 1 1 302.762 2.023 20 5 DEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000068360689 402195370 /nfs/dbraw/zinc/19/53/70/402195370.db2.gz JXBVBUJUKMGPTK-SNVBAGLBSA-N 1 1 320.324 2.305 20 5 DEBDMO COCCC[N@@H+](C)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153838589 402173753 /nfs/dbraw/zinc/17/37/53/402173753.db2.gz GHTJQCSBSLCLMB-UHFFFAOYSA-N 1 1 302.762 2.023 20 5 DEBDMO CC(C)CO[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154451193 402213496 /nfs/dbraw/zinc/21/34/96/402213496.db2.gz STKIIMKIXZPOJA-HOTGVXAUSA-N 1 1 308.378 2.375 20 5 DEBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000159509338 402324530 /nfs/dbraw/zinc/32/45/30/402324530.db2.gz PUJLBEGGPUTCDU-ZDUSSCGKSA-N 1 1 321.308 2.360 20 5 DEBDMO C[C@H](C(=O)N1CCC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184928367 402310374 /nfs/dbraw/zinc/31/03/74/402310374.db2.gz BZSBNVJKPQGRHR-NSHDSACASA-N 1 1 309.341 2.002 20 5 DEBDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000160343370 402341333 /nfs/dbraw/zinc/34/13/33/402341333.db2.gz JIOMQFKIBIYXME-AWEZNQCLSA-N 1 1 315.329 2.305 20 5 DEBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000160343370 402341335 /nfs/dbraw/zinc/34/13/35/402341335.db2.gz JIOMQFKIBIYXME-AWEZNQCLSA-N 1 1 315.329 2.305 20 5 DEBDMO C[N@H+]1CC[C@@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000234374718 402359729 /nfs/dbraw/zinc/35/97/29/402359729.db2.gz XOFBHXIEPYCAII-QMMMGPOBSA-N 1 1 304.272 2.372 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177155931 402376653 /nfs/dbraw/zinc/37/66/53/402376653.db2.gz WAVLJMAYGKQXFR-RYUDHWBXSA-N 1 1 303.362 2.258 20 5 DEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000161845972 402401458 /nfs/dbraw/zinc/40/14/58/402401458.db2.gz CDKCHTKMWBZOOS-ZDUSSCGKSA-N 1 1 305.378 2.303 20 5 DEBDMO C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000186771877 402463603 /nfs/dbraw/zinc/46/36/03/402463603.db2.gz OJKWKZBBYULBLY-LLVKDONJSA-N 1 1 323.368 2.390 20 5 DEBDMO C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000245769952 402486992 /nfs/dbraw/zinc/48/69/92/402486992.db2.gz XBGVTAFRVJUZTD-VXGBXAGGSA-N 1 1 320.393 2.027 20 5 DEBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCOC1 ZINC000178355506 402488623 /nfs/dbraw/zinc/48/86/23/402488623.db2.gz KZLLYTHWJGRFOU-NSHDSACASA-N 1 1 318.333 2.113 20 5 DEBDMO CC(C)[N@@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000171092778 402556930 /nfs/dbraw/zinc/55/69/30/402556930.db2.gz QWKINUYWDMSNIF-UHFFFAOYSA-N 1 1 306.366 2.232 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000171141782 402561052 /nfs/dbraw/zinc/56/10/52/402561052.db2.gz WEOVOUZJMKQQPD-CQSZACIVSA-N 1 1 306.362 2.222 20 5 DEBDMO COC(=O)C[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000179141760 402575791 /nfs/dbraw/zinc/57/57/91/402575791.db2.gz KCKWRURXXGNYLU-GFCCVEGCSA-N 1 1 308.334 2.001 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000170735175 402518672 /nfs/dbraw/zinc/51/86/72/402518672.db2.gz ODBIWAKQKRNTEP-LLVKDONJSA-N 1 1 309.366 2.064 20 5 DEBDMO COC(=O)C[C@@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000179145349 402575934 /nfs/dbraw/zinc/57/59/34/402575934.db2.gz KEMZUNASCPVRTK-AWEZNQCLSA-N 1 1 322.361 2.391 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000178769524 402537098 /nfs/dbraw/zinc/53/70/98/402537098.db2.gz RMVAAKGLWJYSFO-STQMWFEESA-N 1 1 321.377 2.199 20 5 DEBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000189491958 402540419 /nfs/dbraw/zinc/54/04/19/402540419.db2.gz MIQGAOSZNPQHOI-LBPRGKRZSA-N 1 1 322.283 2.219 20 5 DEBDMO C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000252210265 402652857 /nfs/dbraw/zinc/65/28/57/402652857.db2.gz WDQQSUWUAIXBOJ-NWDGAFQWSA-N 1 1 320.393 2.226 20 5 DEBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000254987262 402674221 /nfs/dbraw/zinc/67/42/21/402674221.db2.gz OHPSFJISOACGPV-NUAVKIRRSA-N 1 1 303.362 2.159 20 5 DEBDMO C[N@@H+]1C[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000192567806 402737556 /nfs/dbraw/zinc/73/75/56/402737556.db2.gz YGFOMOJSTRDGRQ-AOOOYVTPSA-N 1 1 324.768 2.274 20 5 DEBDMO CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000174024591 402723879 /nfs/dbraw/zinc/72/38/79/402723879.db2.gz SNJQHBQDMITVAK-AWEZNQCLSA-N 1 1 305.378 2.371 20 5 DEBDMO COc1cc(C[N@H+](CCCCO)C2CC2)c([N+](=O)[O-])cc1F ZINC000184221192 402827788 /nfs/dbraw/zinc/82/77/88/402827788.db2.gz VVRHVOMPDKEEEL-UHFFFAOYSA-N 1 1 312.341 2.479 20 5 DEBDMO COc1cc(C[N@@H+](CCCCO)C2CC2)c([N+](=O)[O-])cc1F ZINC000184221192 402827789 /nfs/dbraw/zinc/82/77/89/402827789.db2.gz VVRHVOMPDKEEEL-UHFFFAOYSA-N 1 1 312.341 2.479 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000175768815 402831193 /nfs/dbraw/zinc/83/11/93/402831193.db2.gz BWUZORQGKACUBH-UHFFFAOYSA-N 1 1 322.409 2.468 20 5 DEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000264026116 402832082 /nfs/dbraw/zinc/83/20/82/402832082.db2.gz YITQFQFLFBWAIB-CQSZACIVSA-N 1 1 303.362 2.458 20 5 DEBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000175998694 402847030 /nfs/dbraw/zinc/84/70/30/402847030.db2.gz WCEIUBJNLJDRFK-TZMCWYRMSA-N 1 1 320.393 2.358 20 5 DEBDMO CC[N@@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264236805 402861302 /nfs/dbraw/zinc/86/13/02/402861302.db2.gz ZYGQAIGEYLUVNO-UHFFFAOYSA-N 1 1 305.334 2.107 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000264493802 402883837 /nfs/dbraw/zinc/88/38/37/402883837.db2.gz DWMJGTCPAJBOIN-NSHDSACASA-N 1 1 316.361 2.148 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000264611791 402890874 /nfs/dbraw/zinc/89/08/74/402890874.db2.gz NREOXEWUTXYJCO-VXGBXAGGSA-N 1 1 304.268 2.482 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000264611791 402890875 /nfs/dbraw/zinc/89/08/75/402890875.db2.gz NREOXEWUTXYJCO-VXGBXAGGSA-N 1 1 304.268 2.482 20 5 DEBDMO Cc1nc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n[nH]1 ZINC000272520533 402947995 /nfs/dbraw/zinc/94/79/95/402947995.db2.gz HTVDAFIFUGXEHY-AWEZNQCLSA-N 1 1 315.377 2.175 20 5 DEBDMO Cc1nnc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]1 ZINC000272520533 402947997 /nfs/dbraw/zinc/94/79/97/402947997.db2.gz HTVDAFIFUGXEHY-AWEZNQCLSA-N 1 1 315.377 2.175 20 5 DEBDMO CC(C)OCCC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000265825400 402953504 /nfs/dbraw/zinc/95/35/04/402953504.db2.gz BTBLWXXNSBDSNP-UHFFFAOYSA-N 1 1 323.393 2.305 20 5 DEBDMO CC(C)OCCC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000265825400 402953506 /nfs/dbraw/zinc/95/35/06/402953506.db2.gz BTBLWXXNSBDSNP-UHFFFAOYSA-N 1 1 323.393 2.305 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]3CO)o2)c1 ZINC000265459970 402920728 /nfs/dbraw/zinc/92/07/28/402920728.db2.gz GPIQMEMDFSMUHH-AWEZNQCLSA-N 1 1 317.345 2.249 20 5 DEBDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279252680 402922284 /nfs/dbraw/zinc/92/22/84/402922284.db2.gz LIIGBAQUGAOHEN-JTQLQIEISA-N 1 1 309.391 2.021 20 5 DEBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc(C)cc3[N+](=O)[O-])C2)CC1 ZINC000267000164 403006789 /nfs/dbraw/zinc/00/67/89/403006789.db2.gz YFDXMYHUBHYSSX-HNNXBMFYSA-N 1 1 318.421 2.119 20 5 DEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1OCCc2ccccc21 ZINC000267105209 403015545 /nfs/dbraw/zinc/01/55/45/403015545.db2.gz VNEXZGLRZFFVED-OAHLLOKOSA-N 1 1 316.361 2.037 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000268260316 403067858 /nfs/dbraw/zinc/06/78/58/403067858.db2.gz ZARRTAKWXMPOPM-TVQRCGJNSA-N 1 1 323.780 2.461 20 5 DEBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CC(C)(C)O ZINC000275568520 403106564 /nfs/dbraw/zinc/10/65/64/403106564.db2.gz PDAUHRVTUARRFV-LLVKDONJSA-N 1 1 311.357 2.015 20 5 DEBDMO COC(=O)c1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000283024844 403165315 /nfs/dbraw/zinc/16/53/15/403165315.db2.gz MOWXHROKQJJSSL-UHFFFAOYSA-N 1 1 317.345 2.384 20 5 DEBDMO CC(C)N1CC[C@@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000282356584 403146132 /nfs/dbraw/zinc/14/61/32/403146132.db2.gz CYMBUABJQDRHOO-OAHLLOKOSA-N 1 1 305.378 2.078 20 5 DEBDMO CC[N@H+](CCc1cccs1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270552070 403200059 /nfs/dbraw/zinc/20/00/59/403200059.db2.gz HGONMWJPHDPULA-UHFFFAOYSA-N 1 1 321.402 2.383 20 5 DEBDMO C[C@H]1c2ccsc2CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270586368 403202928 /nfs/dbraw/zinc/20/29/28/403202928.db2.gz SCBNKSHMTUODFV-NSHDSACASA-N 1 1 319.386 2.437 20 5 DEBDMO O=C(CC[N@H+]1CCOC[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000283165069 403177122 /nfs/dbraw/zinc/17/71/22/403177122.db2.gz DDFUZCKTYWKAGT-HNNXBMFYSA-N 1 1 319.361 2.034 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1F ZINC000277612161 403236672 /nfs/dbraw/zinc/23/66/72/403236672.db2.gz HWMUJMFLEFSKSZ-NSHDSACASA-N 1 1 309.341 2.209 20 5 DEBDMO COc1cc(N2CC[NH+](C3CCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271072243 403260594 /nfs/dbraw/zinc/26/05/94/403260594.db2.gz FLFAGGAWUQJEEE-UHFFFAOYSA-N 1 1 309.341 2.417 20 5 DEBDMO CO[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000285653210 403350245 /nfs/dbraw/zinc/35/02/45/403350245.db2.gz LVAIQOPSUBIHOJ-SECBINFHSA-N 1 1 315.757 2.153 20 5 DEBDMO CO[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000285653210 403350250 /nfs/dbraw/zinc/35/02/50/403350250.db2.gz LVAIQOPSUBIHOJ-SECBINFHSA-N 1 1 315.757 2.153 20 5 DEBDMO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339009868 403319157 /nfs/dbraw/zinc/31/91/57/403319157.db2.gz NJYPNXACMAJROK-AWEZNQCLSA-N 1 1 319.405 2.464 20 5 DEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339009868 403319160 /nfs/dbraw/zinc/31/91/60/403319160.db2.gz NJYPNXACMAJROK-AWEZNQCLSA-N 1 1 319.405 2.464 20 5 DEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000331444851 403386087 /nfs/dbraw/zinc/38/60/87/403386087.db2.gz YEECCSKJRJMUFB-LLVKDONJSA-N 1 1 323.780 2.144 20 5 DEBDMO C[C@H](F)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339738316 403434210 /nfs/dbraw/zinc/43/42/10/403434210.db2.gz CWCLCRCZNJUZCF-LBPRGKRZSA-N 1 1 309.341 2.101 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](CO)CC3)nc2c1 ZINC000339747904 403438234 /nfs/dbraw/zinc/43/82/34/403438234.db2.gz YCKIOXVRMRSYIE-NSHDSACASA-N 1 1 304.350 2.066 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](CO)CC3)nc2c1 ZINC000339747904 403438235 /nfs/dbraw/zinc/43/82/35/403438235.db2.gz YCKIOXVRMRSYIE-NSHDSACASA-N 1 1 304.350 2.066 20 5 DEBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCCO[C@H]1CCCCO1)CC2 ZINC000332029526 403466065 /nfs/dbraw/zinc/46/60/65/403466065.db2.gz NTPNWZHJBXHDGE-INIZCTEOSA-N 1 1 321.377 2.281 20 5 DEBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332040731 403467921 /nfs/dbraw/zinc/46/79/21/403467921.db2.gz KNXPLGWOPBPVNI-ZIAGYGMSSA-N 1 1 322.340 2.482 20 5 DEBDMO COC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332233075 403524141 /nfs/dbraw/zinc/52/41/41/403524141.db2.gz MSIKPEZQMIXNKG-LLVKDONJSA-N 1 1 304.350 2.330 20 5 DEBDMO COC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332233075 403524145 /nfs/dbraw/zinc/52/41/45/403524145.db2.gz MSIKPEZQMIXNKG-LLVKDONJSA-N 1 1 304.350 2.330 20 5 DEBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCOc4ccc([N+](=O)[O-])cc4)[C@H]1[C@H]3C2 ZINC000286451757 403529075 /nfs/dbraw/zinc/52/90/75/403529075.db2.gz JWLQQFQWOKMRJH-QPSXIRMHSA-N 1 1 318.373 2.329 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000332308717 403546371 /nfs/dbraw/zinc/54/63/71/403546371.db2.gz MMXOUMBYDORHPO-CQSZACIVSA-N 1 1 310.329 2.069 20 5 DEBDMO Cc1ccnc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301248744 403605723 /nfs/dbraw/zinc/60/57/23/403605723.db2.gz BOFMUCFVOYWIRH-BETUJISGSA-N 1 1 308.382 2.209 20 5 DEBDMO O=C([C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000287269591 403564135 /nfs/dbraw/zinc/56/41/35/403564135.db2.gz HRFZGBDBJIEURF-HNNXBMFYSA-N 1 1 317.389 2.082 20 5 DEBDMO CCNc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343424036 403583538 /nfs/dbraw/zinc/58/35/38/403583538.db2.gz CDUNEPFLBDMXIT-DGCLKSJQSA-N 1 1 320.393 2.239 20 5 DEBDMO CC[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343529464 403624935 /nfs/dbraw/zinc/62/49/35/403624935.db2.gz AAINWJRMINMMSU-GFCCVEGCSA-N 1 1 312.391 2.243 20 5 DEBDMO CC[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343529464 403624936 /nfs/dbraw/zinc/62/49/36/403624936.db2.gz AAINWJRMINMMSU-GFCCVEGCSA-N 1 1 312.391 2.243 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000343560522 403638391 /nfs/dbraw/zinc/63/83/91/403638391.db2.gz DOYXNJKUOIIDPK-GFCCVEGCSA-N 1 1 309.341 2.338 20 5 DEBDMO CNC(=O)CCC[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347363530 403680929 /nfs/dbraw/zinc/68/09/29/403680929.db2.gz RNVYXSCPUHVKSF-JLHYYAGUSA-N 1 1 305.378 2.456 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000343583906 403650527 /nfs/dbraw/zinc/65/05/27/403650527.db2.gz ZEUUOPGFKLMMLZ-LBPRGKRZSA-N 1 1 309.341 2.338 20 5 DEBDMO COC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000295140959 403772198 /nfs/dbraw/zinc/77/21/98/403772198.db2.gz PUMCHXWXXHFZDW-AWEZNQCLSA-N 1 1 309.322 2.361 20 5 DEBDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000295140959 403772203 /nfs/dbraw/zinc/77/22/03/403772203.db2.gz PUMCHXWXXHFZDW-AWEZNQCLSA-N 1 1 309.322 2.361 20 5 DEBDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304375932 403786836 /nfs/dbraw/zinc/78/68/36/403786836.db2.gz XEPFFDOZQSRQBE-NWANDNLSSA-N 1 1 310.398 2.053 20 5 DEBDMO CC[C@@]1(C)COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411428423 403854062 /nfs/dbraw/zinc/85/40/62/403854062.db2.gz PATKVMJWVDUHNV-INIZCTEOSA-N 1 1 321.377 2.424 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344043489 403869697 /nfs/dbraw/zinc/86/96/97/403869697.db2.gz ITVSIKPEUQSYFT-TUKIKUTGSA-N 1 1 306.362 2.196 20 5 DEBDMO C[C@H]1[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CCC[N@H+]1C ZINC000347881912 403928194 /nfs/dbraw/zinc/92/81/94/403928194.db2.gz PARZPDVQPDOEOK-QWRGUYRKSA-N 1 1 301.350 2.433 20 5 DEBDMO Cc1cc(NCC[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000336861163 403934561 /nfs/dbraw/zinc/93/45/61/403934561.db2.gz XYQNOEQCWUVGOO-UHFFFAOYSA-N 1 1 300.362 2.381 20 5 DEBDMO Cn1ncc2c1CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000411839538 403987311 /nfs/dbraw/zinc/98/73/11/403987311.db2.gz DGOMILXIAOKJFM-UHFFFAOYSA-N 1 1 300.362 2.319 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000347978868 403990708 /nfs/dbraw/zinc/99/07/08/403990708.db2.gz LRWVULGSDZRNON-LLVKDONJSA-N 1 1 309.341 2.337 20 5 DEBDMO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccco1 ZINC000344236877 404000353 /nfs/dbraw/zinc/00/03/53/404000353.db2.gz KNCGPNIYIOSFRL-ZDUSSCGKSA-N 1 1 321.308 2.360 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C1CC1)C1COC1 ZINC000295519684 403970497 /nfs/dbraw/zinc/97/04/97/403970497.db2.gz UOQTZIGOOUIHHD-UHFFFAOYSA-N 1 1 319.361 2.095 20 5 DEBDMO Cc1cnccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000567214072 292296384 /nfs/dbraw/zinc/29/63/84/292296384.db2.gz VJJUSTGULQGXJJ-AWEZNQCLSA-N 1 1 313.361 2.380 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000290262080 404102224 /nfs/dbraw/zinc/10/22/24/404102224.db2.gz VHKLMIXSYXJJMK-LBPRGKRZSA-N 1 1 323.393 2.454 20 5 DEBDMO COC(=O)[C@@]1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000337471451 404047817 /nfs/dbraw/zinc/04/78/17/404047817.db2.gz WDEGBWFUWUQQEL-WBMJQRKESA-N 1 1 322.361 2.105 20 5 DEBDMO C[C@@H]1[C@@H](N2CCOCC2)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351980446 404053029 /nfs/dbraw/zinc/05/30/29/404053029.db2.gz CEAONKDHYCTVPY-DOMZBBRYSA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@@H]1[C@@H](N2CCOCC2)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351980446 404053036 /nfs/dbraw/zinc/05/30/36/404053036.db2.gz CEAONKDHYCTVPY-DOMZBBRYSA-N 1 1 323.368 2.029 20 5 DEBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363939080 404260826 /nfs/dbraw/zinc/26/08/26/404260826.db2.gz RFRZPYFEYJVBEC-KGLIPLIRSA-N 1 1 303.362 2.260 20 5 DEBDMO C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000296833608 404332968 /nfs/dbraw/zinc/33/29/68/404332968.db2.gz WRCREDUISHGUHQ-SUMWQHHRSA-N 1 1 319.405 2.044 20 5 DEBDMO Cc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000356284607 404424764 /nfs/dbraw/zinc/42/47/64/404424764.db2.gz PQNHREBLAGYPDO-QGZVFWFLSA-N 1 1 317.389 2.461 20 5 DEBDMO Cc1[nH+]ccn1-c1ccccc1CNc1c([N+](=O)[O-])ncn1C ZINC000338715700 404494945 /nfs/dbraw/zinc/49/49/45/404494945.db2.gz IFYBSPUJPIZVRA-UHFFFAOYSA-N 1 1 312.333 2.435 20 5 DEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000414498588 404658846 /nfs/dbraw/zinc/65/88/46/404658846.db2.gz NCHKXAAHUZERMW-CTXBLAANSA-N 1 1 317.389 2.408 20 5 DEBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000342619652 404680745 /nfs/dbraw/zinc/68/07/45/404680745.db2.gz NKJRAOAOZQHSPK-GFCCVEGCSA-N 1 1 316.361 2.173 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000360996688 404872935 /nfs/dbraw/zinc/87/29/35/404872935.db2.gz STHQPJJCONWWRA-YPMHNXCESA-N 1 1 309.414 2.429 20 5 DEBDMO COC[C@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000451199669 404899026 /nfs/dbraw/zinc/89/90/26/404899026.db2.gz FHIBTWTYVVLWOQ-OAHLLOKOSA-N 1 1 304.350 2.330 20 5 DEBDMO COC[C@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000451199669 404899030 /nfs/dbraw/zinc/89/90/30/404899030.db2.gz FHIBTWTYVVLWOQ-OAHLLOKOSA-N 1 1 304.350 2.330 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC000360938564 404856764 /nfs/dbraw/zinc/85/67/64/404856764.db2.gz UZMJCCOEFBLIIM-LBPRGKRZSA-N 1 1 320.393 2.098 20 5 DEBDMO COCC1(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000361316165 405018764 /nfs/dbraw/zinc/01/87/64/405018764.db2.gz VEEDFMNQDJKKNB-ZDUSSCGKSA-N 1 1 320.393 2.293 20 5 DEBDMO COc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000354101820 405045429 /nfs/dbraw/zinc/04/54/29/405045429.db2.gz WPTRMDSCFRGAGD-UONOGXRCSA-N 1 1 306.362 2.462 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CCCO)C1 ZINC000452136603 405192796 /nfs/dbraw/zinc/19/27/96/405192796.db2.gz YSBFIWMKIIMSFL-QWHCGFSZSA-N 1 1 321.377 2.016 20 5 DEBDMO COCCCC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000419395628 405248031 /nfs/dbraw/zinc/24/80/31/405248031.db2.gz YFMMAPZMEGQDAZ-OAHLLOKOSA-N 1 1 321.377 2.059 20 5 DEBDMO Cc1c(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000420324172 405319560 /nfs/dbraw/zinc/31/95/60/405319560.db2.gz GVWLALQEYRYBDA-OAHLLOKOSA-N 1 1 319.405 2.091 20 5 DEBDMO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000420934846 405409647 /nfs/dbraw/zinc/40/96/47/405409647.db2.gz HKDHHMLOWPKVCL-GHMZBOCLSA-N 1 1 312.341 2.193 20 5 DEBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000420934846 405409649 /nfs/dbraw/zinc/40/96/49/405409649.db2.gz HKDHHMLOWPKVCL-GHMZBOCLSA-N 1 1 312.341 2.193 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426466322 405361597 /nfs/dbraw/zinc/36/15/97/405361597.db2.gz FKLGRAFQWABTIR-BFHYXJOUSA-N 1 1 306.362 2.209 20 5 DEBDMO C[C@@H]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000429571389 405438021 /nfs/dbraw/zinc/43/80/21/405438021.db2.gz RBYBMPGXKVQATL-RDBSUJKOSA-N 1 1 308.378 2.455 20 5 DEBDMO CC1(C)CC[N@H+](CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000557662779 405618149 /nfs/dbraw/zinc/61/81/49/405618149.db2.gz FVLYVKGFUIMDHQ-UHFFFAOYSA-N 1 1 317.349 2.142 20 5 DEBDMO CC1(C)CC[N@@H+](CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000557662779 405618156 /nfs/dbraw/zinc/61/81/56/405618156.db2.gz FVLYVKGFUIMDHQ-UHFFFAOYSA-N 1 1 317.349 2.142 20 5 DEBDMO C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CC(C)C1 ZINC000568646555 292357738 /nfs/dbraw/zinc/35/77/38/292357738.db2.gz INWZQWVVLZLNCU-SNVBAGLBSA-N 1 1 311.769 2.205 20 5 DEBDMO Cc1c(CC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457087415 405689702 /nfs/dbraw/zinc/68/97/02/405689702.db2.gz JKHWMLHJNKBNJW-OAHLLOKOSA-N 1 1 319.405 2.387 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457097179 405697765 /nfs/dbraw/zinc/69/77/65/405697765.db2.gz RPQIGYPPJHFUQV-ZDUSSCGKSA-N 1 1 321.377 2.158 20 5 DEBDMO C[N@@H+](CCCCNC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000457174935 405737677 /nfs/dbraw/zinc/73/76/77/405737677.db2.gz MNDSDRAVOGREON-UHFFFAOYSA-N 1 1 305.378 2.128 20 5 DEBDMO C[C@@H]1C[N@@H+](CCCNCc2ccccc2[N+](=O)[O-])CCCO1 ZINC000432371494 405756059 /nfs/dbraw/zinc/75/60/59/405756059.db2.gz ZOCBKQQRACCGNF-CQSZACIVSA-N 1 1 307.394 2.185 20 5 DEBDMO Cc1cnc(NCCC[N@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000432859582 405823962 /nfs/dbraw/zinc/82/39/62/405823962.db2.gz OHAHMVFFMGBOOM-ZDUSSCGKSA-N 1 1 308.382 2.211 20 5 DEBDMO COC(=O)Cc1ccc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000450432621 405894524 /nfs/dbraw/zinc/89/45/24/405894524.db2.gz BCEDJKCHRTZMPE-YPMHNXCESA-N 1 1 321.377 2.205 20 5 DEBDMO COC(C)(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000533345288 406138153 /nfs/dbraw/zinc/13/81/53/406138153.db2.gz MJLSKFCOHXWAPW-NSHDSACASA-N 1 1 309.366 2.279 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000567910892 406159506 /nfs/dbraw/zinc/15/95/06/406159506.db2.gz JFANWQPGOWIHRN-CHWSQXEVSA-N 1 1 320.393 2.043 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c2c(c1)COCO2 ZINC000568083441 406191496 /nfs/dbraw/zinc/19/14/96/406191496.db2.gz HFMDSBMUAAUCSM-ABAIWWIYSA-N 1 1 320.345 2.072 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000534843988 406196468 /nfs/dbraw/zinc/19/64/68/406196468.db2.gz DKHJUDIGXHZJBM-AGIUHOORSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000534843988 406196469 /nfs/dbraw/zinc/19/64/69/406196469.db2.gz DKHJUDIGXHZJBM-AGIUHOORSA-N 1 1 321.377 2.015 20 5 DEBDMO Cc1cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000536574991 406266995 /nfs/dbraw/zinc/26/69/95/406266995.db2.gz UZKYQAHWKDEQGF-UHFFFAOYSA-N 1 1 315.329 2.436 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488762050 406345751 /nfs/dbraw/zinc/34/57/51/406345751.db2.gz ONPULYPXVSWBQH-OUCADQQQSA-N 1 1 321.425 2.286 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000489382452 406401216 /nfs/dbraw/zinc/40/12/16/406401216.db2.gz ANYQDQXLHQILQJ-AWEZNQCLSA-N 1 1 321.377 2.016 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000489390167 406401405 /nfs/dbraw/zinc/40/14/05/406401405.db2.gz IKAXPPFQIXONJK-CQSZACIVSA-N 1 1 309.341 2.146 20 5 DEBDMO Cc1cnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000489033123 406371035 /nfs/dbraw/zinc/37/10/35/406371035.db2.gz AKKUUJOBYXMATF-UHFFFAOYSA-N 1 1 307.379 2.393 20 5 DEBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000547760574 406442566 /nfs/dbraw/zinc/44/25/66/406442566.db2.gz ZWHKCKHKXCVQHC-UHFFFAOYSA-N 1 1 308.313 2.046 20 5 DEBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000491183152 406538575 /nfs/dbraw/zinc/53/85/75/406538575.db2.gz AGTZSMDMQNQMBZ-PDTSHOSPSA-N 1 1 315.373 2.351 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000491414918 406588471 /nfs/dbraw/zinc/58/84/71/406588471.db2.gz JMDJCTKMLAXTCY-PXTSUWAFSA-N 1 1 317.389 2.455 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491845784 406745398 /nfs/dbraw/zinc/74/53/98/406745398.db2.gz NBLOYNRGVOAMFR-YFHOEESVSA-N 1 1 305.378 2.456 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134326357 196378977 /nfs/dbraw/zinc/37/89/77/196378977.db2.gz YNODJWJCHKYYGK-LBPRGKRZSA-N 1 1 309.341 2.338 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CC(C)(C)O)C1CC1 ZINC000189893617 225068062 /nfs/dbraw/zinc/06/80/62/225068062.db2.gz RPGDAILDRACFAT-UHFFFAOYSA-N 1 1 321.377 2.077 20 5 DEBDMO COCCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000299253580 229007877 /nfs/dbraw/zinc/00/78/77/229007877.db2.gz CXAKZSJVLSLWLZ-UHFFFAOYSA-N 1 1 315.757 2.155 20 5 DEBDMO COCCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000299253580 229007880 /nfs/dbraw/zinc/00/78/80/229007880.db2.gz CXAKZSJVLSLWLZ-UHFFFAOYSA-N 1 1 315.757 2.155 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000421796727 230000552 /nfs/dbraw/zinc/00/05/52/230000552.db2.gz PXLYPUZUEBHBCI-UHFFFAOYSA-N 1 1 303.362 2.203 20 5 DEBDMO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000390396630 424916554 /nfs/dbraw/zinc/91/65/54/424916554.db2.gz GCKCWTGGYNIOER-LBPRGKRZSA-N 1 1 312.373 3.039 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000426781855 269120158 /nfs/dbraw/zinc/12/01/58/269120158.db2.gz CKECXZZBMAHVQL-ZDUSSCGKSA-N 1 1 323.393 2.209 20 5 DEBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000443345548 269136807 /nfs/dbraw/zinc/13/68/07/269136807.db2.gz SENWJPGSMKIXQW-IOASZLSFSA-N 1 1 308.378 2.455 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c2ncccc12 ZINC000278667775 275036449 /nfs/dbraw/zinc/03/64/49/275036449.db2.gz JTCCFNCGMHSQSA-UHFFFAOYSA-N 1 1 324.344 2.193 20 5 DEBDMO CCOc1cccc(N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000291003156 276381372 /nfs/dbraw/zinc/38/13/72/276381372.db2.gz VHWJGKFVCDXVNW-UHFFFAOYSA-N 1 1 317.349 2.043 20 5 DEBDMO CNc1c(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000361197763 277042480 /nfs/dbraw/zinc/04/24/80/277042480.db2.gz AKVLXAVHJNECJC-LBPRGKRZSA-N 1 1 320.393 2.050 20 5 DEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248404301 278257641 /nfs/dbraw/zinc/25/76/41/278257641.db2.gz PYJLVWFERBPLAJ-NEPJUHHUSA-N 1 1 321.381 2.232 20 5 DEBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486907391 288081631 /nfs/dbraw/zinc/08/16/31/288081631.db2.gz FVUISBGWSYTBNO-WBMJQRKESA-N 1 1 317.389 2.284 20 5 DEBDMO C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000057719786 279327642 /nfs/dbraw/zinc/32/76/42/279327642.db2.gz MRDWYBFDTZLOPY-LLVKDONJSA-N 1 1 323.418 2.286 20 5 DEBDMO Cc1c(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000361748519 280243643 /nfs/dbraw/zinc/24/36/43/280243643.db2.gz BNWFXUKOTHAJEZ-SWLSCSKDSA-N 1 1 318.377 2.461 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000378507505 281021350 /nfs/dbraw/zinc/02/13/50/281021350.db2.gz LMTXLDVWZSSYIC-HOCLYGCPSA-N 1 1 319.405 2.371 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000373081623 281256731 /nfs/dbraw/zinc/25/67/31/281256731.db2.gz VBFHIZXAWFICHJ-CYBMUJFWSA-N 1 1 303.362 2.214 20 5 DEBDMO Cn1c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)ccc1[N+](=O)[O-] ZINC000359543043 294149208 /nfs/dbraw/zinc/14/92/08/294149208.db2.gz MYSRSZVIBNYXMQ-UHFFFAOYSA-N 1 1 320.393 2.024 20 5 DEBDMO Cc1ccnc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000373059808 302270865 /nfs/dbraw/zinc/27/08/65/302270865.db2.gz RRLQRHVDTZYTLS-GFCCVEGCSA-N 1 1 301.350 2.416 20 5 DEBDMO C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000582938834 337219813 /nfs/dbraw/zinc/21/98/13/337219813.db2.gz VPWFIAYBTQGWGK-GFCCVEGCSA-N 1 1 305.378 2.251 20 5 DEBDMO CC(=O)NCCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543795 534387136 /nfs/dbraw/zinc/38/71/36/534387136.db2.gz CUCJWEXMUIYVFB-OAHLLOKOSA-N 1 1 305.378 2.300 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1O ZINC000337355687 522681314 /nfs/dbraw/zinc/68/13/14/522681314.db2.gz CAZWIKJPDYTBBK-CABCVRRESA-N 1 1 321.377 2.159 20 5 DEBDMO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CC[N@H+]1C[C@H](C)O ZINC000247566428 523455280 /nfs/dbraw/zinc/45/52/80/523455280.db2.gz GQDUJYKHDCNJIO-XJKSGUPXSA-N 1 1 321.421 2.180 20 5 DEBDMO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000156321283 525243141 /nfs/dbraw/zinc/24/31/41/525243141.db2.gz WOPSVFUQXVBPLO-YPMHNXCESA-N 1 1 323.368 2.218 20 5 DEBDMO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000127498900 525926368 /nfs/dbraw/zinc/92/63/68/525926368.db2.gz FSJWYXGRCPKNFP-GJZGRUSLSA-N 1 1 320.437 2.190 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245513804 526089804 /nfs/dbraw/zinc/08/98/04/526089804.db2.gz AYLDBTQKBBKWNR-ILXRZTDVSA-N 1 1 321.421 2.351 20 5 DEBDMO O=[N+]([O-])c1cccc(OCCN2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000246200394 527390878 /nfs/dbraw/zinc/39/08/78/527390878.db2.gz NHLOGYXCCWMKMP-HNNXBMFYSA-N 1 1 305.378 2.144 20 5 DEBDMO CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246743721 535658563 /nfs/dbraw/zinc/65/85/63/535658563.db2.gz GVYUJHKMLYGCDF-NWANDNLSSA-N 1 1 310.398 2.053 20 5 DEBDMO CCN1CC[NH+](CC(C)(C)Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000450923205 535674435 /nfs/dbraw/zinc/67/44/35/535674435.db2.gz QBLCBXIWWWRPPB-UHFFFAOYSA-N 1 1 321.425 2.126 20 5 DEBDMO Cc1nn(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC001327697292 1148627431 /nfs/dbraw/zinc/62/74/31/1148627431.db2.gz GNHLKEVOBGPEKC-MLGOLLRUSA-N 1 1 316.361 2.179 20 5 DEBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cs1 ZINC000738359721 598466160 /nfs/dbraw/zinc/46/61/60/598466160.db2.gz MVJVHTMZIVWXCV-UHFFFAOYSA-N 1 1 316.346 2.126 20 5 DEBDMO Cc1[nH+]ccn1CCCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000122328273 625564181 /nfs/dbraw/zinc/56/41/81/625564181.db2.gz XKOFVXVCQNLQQK-UHFFFAOYSA-N 1 1 302.334 2.196 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000246959899 623148369 /nfs/dbraw/zinc/14/83/69/623148369.db2.gz GECDYMGJQYDMGX-CABCVRRESA-N 1 1 321.425 2.335 20 5 DEBDMO CCO[C@@H]1CCC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000891400316 624147344 /nfs/dbraw/zinc/14/73/44/624147344.db2.gz QGEISASTAGAOMO-GFCCVEGCSA-N 1 1 310.350 2.310 20 5 DEBDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000891400316 624147345 /nfs/dbraw/zinc/14/73/45/624147345.db2.gz QGEISASTAGAOMO-GFCCVEGCSA-N 1 1 310.350 2.310 20 5 DEBDMO COc1c(O)ccc(CNCC[N@@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000892920627 625713308 /nfs/dbraw/zinc/71/33/08/625713308.db2.gz OYEOBTHSJVSLCT-UHFFFAOYSA-N 1 1 323.393 2.273 20 5 DEBDMO CCC[N@H+]1CC[C@H](CNc2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000891967567 624705065 /nfs/dbraw/zinc/70/50/65/624705065.db2.gz OKCZWGTUVMCHDC-SNVBAGLBSA-N 1 1 305.338 2.275 20 5 DEBDMO C[C@H](NC(=O)NCC[N@H+]1CCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000894016407 636093125 /nfs/dbraw/zinc/09/31/25/636093125.db2.gz QWLNJEKIRTYKMG-OLZOCXBDSA-N 1 1 320.393 2.439 20 5 DEBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000922645429 636293203 /nfs/dbraw/zinc/29/32/03/636293203.db2.gz KKHQAZDFZMCDJL-MJVIPROJSA-N 1 1 306.366 2.048 20 5 DEBDMO O=C(N[C@H]1C[C@H](C[NH2+]CC2CCCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983656128 637201782 /nfs/dbraw/zinc/20/17/82/637201782.db2.gz YQSRBZNZCPZQPD-KLHDSHLOSA-N 1 1 323.437 2.106 20 5 DEBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000928443045 637244369 /nfs/dbraw/zinc/24/43/69/637244369.db2.gz XMZUJJPQQAGACH-BHDSKKPTSA-N 1 1 309.341 2.046 20 5 DEBDMO CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029216583 637428232 /nfs/dbraw/zinc/42/82/32/637428232.db2.gz PFCFDYVLIHLVFU-IYBDPMFKSA-N 1 1 317.389 2.426 20 5 DEBDMO CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029216583 637428236 /nfs/dbraw/zinc/42/82/36/637428236.db2.gz PFCFDYVLIHLVFU-IYBDPMFKSA-N 1 1 317.389 2.426 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838281838 637515430 /nfs/dbraw/zinc/51/54/30/637515430.db2.gz RAQCBDLVGNZESJ-ZFWWWQNUSA-N 1 1 322.361 2.046 20 5 DEBDMO C[N@@H+](CCC(=O)N1CCCC1)CCc1ccccc1[N+](=O)[O-] ZINC000839004311 637750437 /nfs/dbraw/zinc/75/04/37/637750437.db2.gz FSODCDJAKPPKHS-UHFFFAOYSA-N 1 1 305.378 2.082 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000839392608 637866285 /nfs/dbraw/zinc/86/62/85/637866285.db2.gz MALYWTIMTPYODN-LLVKDONJSA-N 1 1 309.341 2.209 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000839392608 637866289 /nfs/dbraw/zinc/86/62/89/637866289.db2.gz MALYWTIMTPYODN-LLVKDONJSA-N 1 1 309.341 2.209 20 5 DEBDMO COc1c(O)ccc(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000895319775 637924096 /nfs/dbraw/zinc/92/40/96/637924096.db2.gz RIGRLCWKDQBRQV-GFCCVEGCSA-N 1 1 323.393 2.271 20 5 DEBDMO COc1c(O)ccc(CN[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000895319776 637924390 /nfs/dbraw/zinc/92/43/90/637924390.db2.gz RIGRLCWKDQBRQV-LBPRGKRZSA-N 1 1 323.393 2.271 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000741578162 637995731 /nfs/dbraw/zinc/99/57/31/637995731.db2.gz GGHALWBYIJGSRF-HZMBPMFUSA-N 1 1 309.341 2.146 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@]4(O)C3)o2)c1 ZINC000895645267 638132085 /nfs/dbraw/zinc/13/20/85/638132085.db2.gz AXLVBUKOLMZUNY-LRDDRELGSA-N 1 1 300.314 2.421 20 5 DEBDMO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895738170 638177807 /nfs/dbraw/zinc/17/78/07/638177807.db2.gz GWKHKKPNXGTULD-VAFIWLDWSA-N 1 1 319.361 2.286 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000744346089 638212529 /nfs/dbraw/zinc/21/25/29/638212529.db2.gz VOUMHKOPOVTLGR-NSHDSACASA-N 1 1 316.361 2.290 20 5 DEBDMO COc1ccc(CNCc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000841032071 650409664 /nfs/dbraw/zinc/40/96/64/650409664.db2.gz JDTHLVUNBBFXMF-UHFFFAOYSA-N 1 1 315.373 2.394 20 5 DEBDMO CCC[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000740859086 640186577 /nfs/dbraw/zinc/18/65/77/640186577.db2.gz NCUXEWUGHXMABG-YUTCNCBUSA-N 1 1 308.382 2.274 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1F ZINC000764569056 640656587 /nfs/dbraw/zinc/65/65/87/640656587.db2.gz DKUUVLQISBGRRP-SMDDNHRTSA-N 1 1 323.368 2.455 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1C ZINC000765633017 640802807 /nfs/dbraw/zinc/80/28/07/640802807.db2.gz GRPWFDHROHBFOR-VXGBXAGGSA-N 1 1 303.366 2.161 20 5 DEBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000897623666 640874091 /nfs/dbraw/zinc/87/40/91/640874091.db2.gz IMLNFUAQAMZZBV-NHYWBVRUSA-N 1 1 323.780 2.336 20 5 DEBDMO CC(C)[N@@H+](C)CC(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000899218788 641995360 /nfs/dbraw/zinc/99/53/60/641995360.db2.gz LZNDMYWTQGANND-UHFFFAOYSA-N 1 1 302.334 2.422 20 5 DEBDMO C[NH+](C)C1(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000776271337 642152291 /nfs/dbraw/zinc/15/22/91/642152291.db2.gz KYCWMHIRMUTOMU-INIZCTEOSA-N 1 1 321.421 2.482 20 5 DEBDMO C[C@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000776279611 642153016 /nfs/dbraw/zinc/15/30/16/642153016.db2.gz YKGCLDWEIROGTA-CPUCHLNUSA-N 1 1 321.421 2.481 20 5 DEBDMO C[C@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000776279611 642153022 /nfs/dbraw/zinc/15/30/22/642153022.db2.gz YKGCLDWEIROGTA-CPUCHLNUSA-N 1 1 321.421 2.481 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000776591601 642190097 /nfs/dbraw/zinc/19/00/97/642190097.db2.gz KUYDXJUFTVYBJU-NUEKZKHPSA-N 1 1 306.362 2.129 20 5 DEBDMO C[C@@]1(CCCO)CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776595858 642190273 /nfs/dbraw/zinc/19/02/73/642190273.db2.gz BSGRBQKQICKPDQ-HOTGVXAUSA-N 1 1 308.378 2.255 20 5 DEBDMO C[N@H+](Cc1cccc(O)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593804 642190337 /nfs/dbraw/zinc/19/03/37/642190337.db2.gz ZFKSNFGGOHSQTL-MRXNPFEDSA-N 1 1 302.330 2.466 20 5 DEBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900591647 642416169 /nfs/dbraw/zinc/41/61/69/642416169.db2.gz UDJUZOFCCMIYOA-VIFPVBQESA-N 1 1 315.732 2.211 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000900771698 642466019 /nfs/dbraw/zinc/46/60/19/642466019.db2.gz TWCZNYYKHWDQOL-AWEZNQCLSA-N 1 1 303.362 2.357 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000900771698 642466020 /nfs/dbraw/zinc/46/60/20/642466020.db2.gz TWCZNYYKHWDQOL-AWEZNQCLSA-N 1 1 303.362 2.357 20 5 DEBDMO NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1 ZINC000783527152 643014790 /nfs/dbraw/zinc/01/47/90/643014790.db2.gz NBOOHFIIFHZDKT-UHFFFAOYSA-N 1 1 311.769 2.478 20 5 DEBDMO NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1 ZINC000783527152 643014794 /nfs/dbraw/zinc/01/47/94/643014794.db2.gz NBOOHFIIFHZDKT-UHFFFAOYSA-N 1 1 311.769 2.478 20 5 DEBDMO COCCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783715229 643041657 /nfs/dbraw/zinc/04/16/57/643041657.db2.gz LBFMVFAEIAWKRB-GFCCVEGCSA-N 1 1 314.769 2.486 20 5 DEBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783715229 643041664 /nfs/dbraw/zinc/04/16/64/643041664.db2.gz LBFMVFAEIAWKRB-GFCCVEGCSA-N 1 1 314.769 2.486 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903019709 643218270 /nfs/dbraw/zinc/21/82/70/643218270.db2.gz QIVHMLWYMYBIPI-CYBMUJFWSA-N 1 1 317.324 2.210 20 5 DEBDMO 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1060433011 /nfs/dbraw/zinc/43/30/11/1060433011.db2.gz ARSUCWIASQYMOJ-OLZOCXBDSA-N 1 1 323.368 2.248 20 5 DEBDMO Cc1ccc(NC(=O)C[N@H+](C)CC(C)(C)C)c(N)c1[N+](=O)[O-] ZINC001472227063 1060446406 /nfs/dbraw/zinc/44/64/06/1060446406.db2.gz BBSXHRFFNQTRML-UHFFFAOYSA-N 1 1 308.382 2.402 20 5 DEBDMO Cc1[nH+]ccn1-c1ccccc1CNc1c([N+](=O)[O-])cnn1C ZINC001472767455 1060580012 /nfs/dbraw/zinc/58/00/12/1060580012.db2.gz LGYYQUCIAQDQCU-UHFFFAOYSA-N 1 1 312.333 2.435 20 5 DEBDMO Nc1ccc(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC001625754713 1078251018 /nfs/dbraw/zinc/25/10/18/1078251018.db2.gz XAZPHWDBFIZJMP-UHFFFAOYSA-N 1 1 324.300 2.010 20 5 DEBDMO CN(C)C(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001620783122 1066758832 /nfs/dbraw/zinc/75/88/32/1066758832.db2.gz WNOMJZOBBYGMMG-UHFFFAOYSA-N 1 1 303.318 2.033 20 5 DEBDMO CC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001577162343 1066777038 /nfs/dbraw/zinc/77/70/38/1066777038.db2.gz VTGQTOGXCBISSR-QWRGUYRKSA-N 1 1 316.365 2.395 20 5 DEBDMO COc1ccc(CNCc2ccccc2C[NH3+])cc1[N+](=O)[O-] ZINC001579217816 1067262495 /nfs/dbraw/zinc/26/24/95/1067262495.db2.gz AAOWBXSGPMZBOY-UHFFFAOYSA-N 1 1 301.346 2.352 20 5 DEBDMO CC[N@@H+]1CC[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001556053336 1075016708 /nfs/dbraw/zinc/01/67/08/1075016708.db2.gz SQFVABIQACGDIE-OAHLLOKOSA-N 1 1 303.362 2.180 20 5 DEBDMO CC[N@H+]1CC[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001556053336 1075016712 /nfs/dbraw/zinc/01/67/12/1075016712.db2.gz SQFVABIQACGDIE-OAHLLOKOSA-N 1 1 303.362 2.180 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001556838271 1075045997 /nfs/dbraw/zinc/04/59/97/1075045997.db2.gz CJCAAGSQOAVNPA-LLVKDONJSA-N 1 1 308.382 2.027 20 5 DEBDMO Cc1[nH]c(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c(C)[nH+]1 ZINC001558464064 1075095642 /nfs/dbraw/zinc/09/56/42/1075095642.db2.gz VKFHICYGMXVMPR-UHFFFAOYSA-N 1 1 302.334 2.482 20 5 DEBDMO CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCC2CC2)CC1 ZINC001566697826 1075320247 /nfs/dbraw/zinc/32/02/47/1075320247.db2.gz OYRJWBWBGOVKOJ-HZPDHXFCSA-N 1 1 323.437 2.155 20 5 DEBDMO C[C@@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC001591735023 1076779889 /nfs/dbraw/zinc/77/98/89/1076779889.db2.gz LIXZKHJQPCQQEV-GHMZBOCLSA-N 1 1 316.365 2.395 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001595406948 1077062145 /nfs/dbraw/zinc/06/21/45/1077062145.db2.gz PUILUNVTWYKAMC-UHFFFAOYSA-N 1 1 322.752 2.437 20 5 DEBDMO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1ccc([N+](=O)[O-])cc1 ZINC001654750518 1079975896 /nfs/dbraw/zinc/97/58/96/1079975896.db2.gz NPQOQENBILQCLX-JTQLQIEISA-N 1 1 324.358 2.442 20 5 DEBDMO Cc1c[nH+]ccc1OC1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001655420018 1079998082 /nfs/dbraw/zinc/99/80/82/1079998082.db2.gz UTULIPWNKKQRDG-UHFFFAOYSA-N 1 1 317.349 2.080 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001658977406 1080225645 /nfs/dbraw/zinc/22/56/45/1080225645.db2.gz JSTGDBHHTIALJI-UONOGXRCSA-N 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CCOC(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001320585809 1140882777 /nfs/dbraw/zinc/88/27/77/1140882777.db2.gz XISACVWYXUVWJU-LSDHHAIUSA-N 1 1 322.361 2.046 20 5 DEBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC001320887521 1140970718 /nfs/dbraw/zinc/97/07/18/1140970718.db2.gz DZGAWFJKCMXQJV-LBPRGKRZSA-N 1 1 308.378 2.455 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1NCC[N@@H+]1CCc2sccc2C1 ZINC001324271426 1142045239 /nfs/dbraw/zinc/04/52/39/1142045239.db2.gz SBTYOLQFGKCYMD-UHFFFAOYSA-N 1 1 318.402 2.252 20 5 DEBDMO Cc1cncc([N+](=O)[O-])c1NCC[N@H+]1CCc2sccc2C1 ZINC001324271426 1142045248 /nfs/dbraw/zinc/04/52/48/1142045248.db2.gz SBTYOLQFGKCYMD-UHFFFAOYSA-N 1 1 318.402 2.252 20 5 DEBDMO C[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC001337718259 1142793957 /nfs/dbraw/zinc/79/39/57/1142793957.db2.gz PDTAYHHDFDDAER-RUAUBTSSSA-N 1 1 317.389 2.155 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1F ZINC001338467193 1142857886 /nfs/dbraw/zinc/85/78/86/1142857886.db2.gz ZEEJRPINROQLAX-LERXQTSPSA-N 1 1 321.352 2.112 20 5 DEBDMO C[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476406 1143132051 /nfs/dbraw/zinc/13/20/51/1143132051.db2.gz QQFPXKMCJMRUMX-MLGOLLRUSA-N 1 1 305.378 2.019 20 5 DEBDMO C[N@@H+](C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(C)COC1 ZINC001254479752 1143137329 /nfs/dbraw/zinc/13/73/29/1143137329.db2.gz KMJIHNOTPMHEDG-UHFFFAOYSA-N 1 1 305.378 2.284 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(cnn2C)C1 ZINC001254563978 1143249200 /nfs/dbraw/zinc/24/92/00/1143249200.db2.gz HNVNFZYZQHMBAZ-GFCCVEGCSA-N 1 1 300.362 2.318 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@](O)(C(F)(F)F)C1)C2 ZINC001254593360 1143273184 /nfs/dbraw/zinc/27/31/84/1143273184.db2.gz LJJPFQMQSHEYIG-STQMWFEESA-N 1 1 316.279 2.061 20 5 DEBDMO COC(=O)C[C@@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605524 1143281138 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DEBDMO C[N@@H+](CCCCCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000278786106 214401559 /nfs/dbraw/zinc/40/15/59/214401559.db2.gz DQOYUFPOILHVJT-UHFFFAOYSA-N 1 1 310.350 2.056 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000090552064 185302830 /nfs/dbraw/zinc/30/28/30/185302830.db2.gz GZKAOEMVBIRWFP-KBPBESRZSA-N 1 1 323.418 2.117 20 5 DEBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCC[C@@H]1O ZINC000331871797 530023315 /nfs/dbraw/zinc/02/33/15/530023315.db2.gz YKWMSWWQWQPPNA-YGRLFVJLSA-N 1 1 304.350 2.064 20 5 DEBDMO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000181813405 199356061 /nfs/dbraw/zinc/35/60/61/199356061.db2.gz NCHBHZQDHVJOSM-GFCCVEGCSA-N 1 1 314.345 2.303 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnnn1C1CC1 ZINC000615724192 362691818 /nfs/dbraw/zinc/69/18/18/362691818.db2.gz PXRJAWGDYOYPGZ-YRNVUSSQSA-N 1 1 314.349 2.109 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000616403981 362847639 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COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093610586 193274871 /nfs/dbraw/zinc/27/48/71/193274871.db2.gz VGLCWHMYMNZAPP-ZDUSSCGKSA-N 1 1 324.402 2.384 20 5 DEBDMO CC(C)N1CCC[C@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000282479547 217026508 /nfs/dbraw/zinc/02/65/08/217026508.db2.gz OPOWMYZQSBQCHY-INIZCTEOSA-N 1 1 319.405 2.469 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000288477015 220167380 /nfs/dbraw/zinc/16/73/80/220167380.db2.gz HOAZZQLCUIUEGD-LBPRGKRZSA-N 1 1 320.393 2.171 20 5 DEBDMO C[NH+](C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000022858473 182337683 /nfs/dbraw/zinc/33/76/83/182337683.db2.gz FWSDWIZQOHGSRH-ZDUSSCGKSA-N 1 1 303.318 2.221 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000456321739 247084628 /nfs/dbraw/zinc/08/46/28/247084628.db2.gz PXLITNRMITWIHF-YHWZYXNKSA-N 1 1 303.362 2.258 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000456338775 247100374 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Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000269032665 207181705 /nfs/dbraw/zinc/18/17/05/207181705.db2.gz SPIYPEQTJJVYCT-UKRRQHHQSA-N 1 1 317.389 2.460 20 5 DEBDMO COC(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000159187337 197334040 /nfs/dbraw/zinc/33/40/40/197334040.db2.gz QKANJAPVAHJMSC-GQCTYLIASA-N 1 1 304.346 2.493 20 5 DEBDMO C[C@@H]1COc2ccccc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000272937065 210322718 /nfs/dbraw/zinc/32/27/18/210322718.db2.gz KQNGONPYQLQAML-GFCCVEGCSA-N 1 1 302.334 2.074 20 5 DEBDMO C[C@@H]1COc2ccccc2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000272937065 210322723 /nfs/dbraw/zinc/32/27/23/210322723.db2.gz KQNGONPYQLQAML-GFCCVEGCSA-N 1 1 302.334 2.074 20 5 DEBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCOCC1 ZINC000156190571 197093765 /nfs/dbraw/zinc/09/37/65/197093765.db2.gz JAEHKMODSGRVBA-UHFFFAOYSA-N 1 1 322.361 2.320 20 5 DEBDMO Cc1c([C@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000155005551 197012374 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2.209 20 5 DEBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000362596021 133240426 /nfs/dbraw/zinc/24/04/26/133240426.db2.gz JCZCFGOAPPLRFC-GFCCVEGCSA-N 1 1 323.393 2.209 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373279081 133385194 /nfs/dbraw/zinc/38/51/94/133385194.db2.gz RHMLWLHUGUNKIW-INIZCTEOSA-N 1 1 306.362 2.340 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)CC[C@H]21 ZINC000372066119 404483497 /nfs/dbraw/zinc/48/34/97/404483497.db2.gz LFWFNMDOZVQACA-GHMZBOCLSA-N 1 1 317.349 2.052 20 5 DEBDMO C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000248452761 145155353 /nfs/dbraw/zinc/15/53/53/145155353.db2.gz JTAPPVUECNRVKM-UONOGXRCSA-N 1 1 308.378 2.457 20 5 DEBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000309909302 145350392 /nfs/dbraw/zinc/35/03/92/145350392.db2.gz RIDMENCDNMSJRI-CQSZACIVSA-N 1 1 313.361 2.319 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(OCCC[NH3+])CC1 ZINC000316480401 145363052 /nfs/dbraw/zinc/36/30/52/145363052.db2.gz RZGPTYADODROBU-ZDUSSCGKSA-N 1 1 307.394 2.486 20 5 DEBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)C1 ZINC000346190335 146034252 /nfs/dbraw/zinc/03/42/52/146034252.db2.gz OQLPHWKSJCPSII-QJPTWQEYSA-N 1 1 323.418 2.459 20 5 DEBDMO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000370700912 148046288 /nfs/dbraw/zinc/04/62/88/148046288.db2.gz NYBBTNOGCYUBDQ-CZUORRHYSA-N 1 1 306.362 2.365 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000370700912 148046290 /nfs/dbraw/zinc/04/62/90/148046290.db2.gz NYBBTNOGCYUBDQ-CZUORRHYSA-N 1 1 306.362 2.365 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007724446 401743383 /nfs/dbraw/zinc/74/33/83/401743383.db2.gz BHWAXYRFINRNSZ-NSHDSACASA-N 1 1 311.769 2.462 20 5 DEBDMO CCCCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000112411896 401744264 /nfs/dbraw/zinc/74/42/64/401744264.db2.gz BIWORKSXOWRHQI-UHFFFAOYSA-N 1 1 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CNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000048972000 402010126 /nfs/dbraw/zinc/01/01/26/402010126.db2.gz FQHMNUWQBNPSPJ-UHFFFAOYSA-N 1 1 311.769 2.206 20 5 DEBDMO COc1ccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000123194915 402114999 /nfs/dbraw/zinc/11/49/99/402114999.db2.gz LMWTXSFKTMCQMD-GHMZBOCLSA-N 1 1 307.350 2.415 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000153069559 402125449 /nfs/dbraw/zinc/12/54/49/402125449.db2.gz VOYFUPAEGGGZLE-CZUORRHYSA-N 1 1 306.362 2.475 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000153627021 402157876 /nfs/dbraw/zinc/15/78/76/402157876.db2.gz KOXSKWLNDPDZAT-MRXNPFEDSA-N 1 1 306.362 2.476 20 5 DEBDMO C[N@@H+](CCC1CCOCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154444334 402213217 /nfs/dbraw/zinc/21/32/17/402213217.db2.gz ZXHAIIAGTXNUNY-MRXNPFEDSA-N 1 1 308.378 2.377 20 5 DEBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCCOC1 ZINC000107687645 402237518 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DEBDMO COC(=O)[C@H](C)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000190078288 402574689 /nfs/dbraw/zinc/57/46/89/402574689.db2.gz HLCWHMKGIWTKTH-LBPRGKRZSA-N 1 1 322.361 2.390 20 5 DEBDMO COC(=O)[C@H](C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000190078288 402574691 /nfs/dbraw/zinc/57/46/91/402574691.db2.gz HLCWHMKGIWTKTH-LBPRGKRZSA-N 1 1 322.361 2.390 20 5 DEBDMO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000189459183 402538856 /nfs/dbraw/zinc/53/88/56/402538856.db2.gz GPDWQUIJVMQDQU-LBPRGKRZSA-N 1 1 322.283 2.219 20 5 DEBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000189459183 402538859 /nfs/dbraw/zinc/53/88/59/402538859.db2.gz GPDWQUIJVMQDQU-LBPRGKRZSA-N 1 1 322.283 2.219 20 5 DEBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1C ZINC000249388057 402627978 /nfs/dbraw/zinc/62/79/78/402627978.db2.gz QFDRVNNBUCFYGJ-VHDGCEQUSA-N 1 1 310.398 2.053 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000181967842 402662405 /nfs/dbraw/zinc/66/24/05/402662405.db2.gz CPYSDOAZXTXVKT-ZNMIVQPWSA-N 1 1 320.389 2.457 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255546608 402690481 /nfs/dbraw/zinc/69/04/81/402690481.db2.gz LXNZZQGPGJNUTG-PTZVLDCSSA-N 1 1 317.389 2.407 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255693778 402694390 /nfs/dbraw/zinc/69/43/90/402694390.db2.gz YPTQEUUTQKLJPC-HLRDLLSLSA-N 1 1 317.389 2.407 20 5 DEBDMO CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000174208986 402731652 /nfs/dbraw/zinc/73/16/52/402731652.db2.gz CSZSQIVSDXYMSV-LBPRGKRZSA-N 1 1 305.378 2.229 20 5 DEBDMO C[C@@H]1C[N@H+](CCCNc2cc(N)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000192771900 402749408 /nfs/dbraw/zinc/74/94/08/402749408.db2.gz HRZXUXIRZMLGCX-TXEJJXNPSA-N 1 1 308.382 2.088 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000184066860 402815721 /nfs/dbraw/zinc/81/57/21/402815721.db2.gz LBMMDQSQHTTWNQ-UHFFFAOYSA-N 1 1 306.362 2.224 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1F ZINC000184269644 402831444 /nfs/dbraw/zinc/83/14/44/402831444.db2.gz HHFRSNMAUQETTO-ZYHUDNBSSA-N 1 1 312.341 2.478 20 5 DEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184405116 402841648 /nfs/dbraw/zinc/84/16/48/402841648.db2.gz IUNRFMRRZZMYQC-GFCCVEGCSA-N 1 1 320.393 2.171 20 5 DEBDMO COCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000271298869 402854720 /nfs/dbraw/zinc/85/47/20/402854720.db2.gz JTZXPRWNQVZOMY-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CCO)C3CC3)o2)c1 ZINC000264197324 402856505 /nfs/dbraw/zinc/85/65/05/402856505.db2.gz OPOWUNGVGYMQNF-UHFFFAOYSA-N 1 1 317.345 2.249 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272562807 402953450 /nfs/dbraw/zinc/95/34/50/402953450.db2.gz ULGFHNGZPFASRH-GDBMZVCRSA-N 1 1 317.389 2.080 20 5 DEBDMO COC[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000265821193 402953668 /nfs/dbraw/zinc/95/36/68/402953668.db2.gz RYOACTSDWWDRIQ-NSHDSACASA-N 1 1 318.333 2.113 20 5 DEBDMO CC[C@@H](O)CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272565335 402953942 /nfs/dbraw/zinc/95/39/42/402953942.db2.gz UVCJZCQEMBPFLB-CABCVRRESA-N 1 1 318.377 2.168 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([N@@H+](C)CCCO)CC1 ZINC000266513153 402969653 /nfs/dbraw/zinc/96/96/53/402969653.db2.gz FGMURFFSTDZACW-AWEZNQCLSA-N 1 1 321.421 2.434 20 5 DEBDMO Cc1cccc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000273057667 402966723 /nfs/dbraw/zinc/96/67/23/402966723.db2.gz YCVXAQBFNPCEIQ-GFCCVEGCSA-N 1 1 303.362 2.283 20 5 DEBDMO COC(=O)C1=C(C)O[C@@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000272231221 402912518 /nfs/dbraw/zinc/91/25/18/402912518.db2.gz FXWBFZIQSIVFRG-CYBMUJFWSA-N 1 1 320.345 2.263 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000266971515 403004510 /nfs/dbraw/zinc/00/45/10/403004510.db2.gz LWYUNQOTONTLTR-STQMWFEESA-N 1 1 323.393 2.262 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CC1CC1)CC1CCC1 ZINC000280505464 403007401 /nfs/dbraw/zinc/00/74/01/403007401.db2.gz CMQIAINNLYLXPO-UHFFFAOYSA-N 1 1 305.378 2.269 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000267171455 403021946 /nfs/dbraw/zinc/02/19/46/403021946.db2.gz IDOVDZLDJGGYKX-UHFFFAOYSA-N 1 1 307.329 2.011 20 5 DEBDMO COc1cc(C[NH2+][C@H](C)c2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000274349022 403047433 /nfs/dbraw/zinc/04/74/33/403047433.db2.gz WPMAKXQZQAQFJJ-SECBINFHSA-N 1 1 308.313 2.327 20 5 DEBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000274415107 403053271 /nfs/dbraw/zinc/05/32/71/403053271.db2.gz AYBDYMWDCAWUEB-LBPRGKRZSA-N 1 1 310.373 2.172 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268207624 403061684 /nfs/dbraw/zinc/06/16/84/403061684.db2.gz KBHIWVMPCOEELX-NHYWBVRUSA-N 1 1 303.362 2.116 20 5 DEBDMO CCC(=O)c1ccc(NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000281605364 403074123 /nfs/dbraw/zinc/07/41/23/403074123.db2.gz YPJBJFSOXNJBHZ-UHFFFAOYSA-N 1 1 321.377 2.322 20 5 DEBDMO CCC(=O)c1ccc(NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000281605364 403074124 /nfs/dbraw/zinc/07/41/24/403074124.db2.gz YPJBJFSOXNJBHZ-UHFFFAOYSA-N 1 1 321.377 2.322 20 5 DEBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000269782530 403165493 /nfs/dbraw/zinc/16/54/93/403165493.db2.gz GWFJXELYQSNUSW-OBJOEFQTSA-N 1 1 321.377 2.157 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000269782532 403165749 /nfs/dbraw/zinc/16/57/49/403165749.db2.gz GWFJXELYQSNUSW-SCRDCRAPSA-N 1 1 321.377 2.157 20 5 DEBDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000269787581 403166187 /nfs/dbraw/zinc/16/61/87/403166187.db2.gz IJLWXMIBKRFPFE-WDEREUQCSA-N 1 1 305.334 2.471 20 5 DEBDMO COc1ccc(OCC[N@@H+]2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000282228054 403134565 /nfs/dbraw/zinc/13/45/65/403134565.db2.gz FKHLUKNDWWNSKF-TZMCWYRMSA-N 1 1 324.377 2.482 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOCC23CCCC3)c1 ZINC000270667877 403210662 /nfs/dbraw/zinc/21/06/62/403210662.db2.gz RSGCATCTPPDYHK-OAHLLOKOSA-N 1 1 306.362 2.273 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOCC23CCCC3)c1 ZINC000270667877 403210665 /nfs/dbraw/zinc/21/06/65/403210665.db2.gz RSGCATCTPPDYHK-OAHLLOKOSA-N 1 1 306.362 2.273 20 5 DEBDMO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000270759284 403221360 /nfs/dbraw/zinc/22/13/60/403221360.db2.gz XCWVETGTQFUHMJ-DOMZBBRYSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000270759284 403221362 /nfs/dbraw/zinc/22/13/62/403221362.db2.gz XCWVETGTQFUHMJ-DOMZBBRYSA-N 1 1 321.377 2.423 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000277547722 403229681 /nfs/dbraw/zinc/22/96/81/403229681.db2.gz IMPKBXQXJVBQMX-LBPRGKRZSA-N 1 1 321.377 2.017 20 5 DEBDMO COc1ccc(C[NH2+][C@@H](c2nncn2C)C(C)C)cc1[N+](=O)[O-] ZINC000285429057 403294992 /nfs/dbraw/zinc/29/49/92/403294992.db2.gz QXCCCHZHGZIPMY-CQSZACIVSA-N 1 1 319.365 2.219 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCCCF)CC1 ZINC000284244329 403256904 /nfs/dbraw/zinc/25/69/04/403256904.db2.gz VYLNLASEZNBJKZ-UHFFFAOYSA-N 1 1 323.368 2.492 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000277953256 403274573 /nfs/dbraw/zinc/27/45/73/403274573.db2.gz JYPXGQVFXGAQTB-ZDUSSCGKSA-N 1 1 305.378 2.317 20 5 DEBDMO Cc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000277975070 403276261 /nfs/dbraw/zinc/27/62/61/403276261.db2.gz JWNUBFKLZITTMB-CYBMUJFWSA-N 1 1 308.382 2.211 20 5 DEBDMO Cc1c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292265973 403338290 /nfs/dbraw/zinc/33/82/90/403338290.db2.gz PWMNGTIFNDDSFM-INIZCTEOSA-N 1 1 303.362 2.071 20 5 DEBDMO CC[C@]1(CO)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331421175 403380185 /nfs/dbraw/zinc/38/01/85/403380185.db2.gz DVLOLSKBFXGCHZ-OAHLLOKOSA-N 1 1 304.350 2.208 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000339679891 403413983 /nfs/dbraw/zinc/41/39/83/403413983.db2.gz RYNQSIDNFVPFKT-HOCLYGCPSA-N 1 1 320.389 2.457 20 5 DEBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345775596 403478822 /nfs/dbraw/zinc/47/88/22/403478822.db2.gz JXVYOGZXYKHEIJ-NEPJUHHUSA-N 1 1 305.378 2.144 20 5 DEBDMO C[C@@H](NC(=O)N1CCC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000298908404 403483738 /nfs/dbraw/zinc/48/37/38/403483738.db2.gz CUDYFSLOWUCWHA-GFCCVEGCSA-N 1 1 306.366 2.003 20 5 DEBDMO CC[N@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000299114371 403525445 /nfs/dbraw/zinc/52/54/45/403525445.db2.gz CGTMTEHCVIBEHN-UHFFFAOYSA-N 1 1 315.757 2.155 20 5 DEBDMO CC[N@@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000299114371 403525449 /nfs/dbraw/zinc/52/54/49/403525449.db2.gz CGTMTEHCVIBEHN-UHFFFAOYSA-N 1 1 315.757 2.155 20 5 DEBDMO Cc1cc(NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000332312098 403546957 /nfs/dbraw/zinc/54/69/57/403546957.db2.gz KPVWABKVXVIJPR-CQSZACIVSA-N 1 1 310.329 2.069 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332166658 403503409 /nfs/dbraw/zinc/50/34/09/403503409.db2.gz OQKRMKNWMFLDQG-BETUJISGSA-N 1 1 317.389 2.352 20 5 DEBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000286342130 403504158 /nfs/dbraw/zinc/50/41/58/403504158.db2.gz BAQCRBNFTAOXQI-UHFFFAOYSA-N 1 1 320.349 2.110 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000332221376 403519101 /nfs/dbraw/zinc/51/91/01/403519101.db2.gz ARMUQRUKISKHGW-WDEREUQCSA-N 1 1 316.361 2.289 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000301168259 403596307 /nfs/dbraw/zinc/59/63/07/403596307.db2.gz SLWANKZSXMLPHI-CQSZACIVSA-N 1 1 322.409 2.457 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000293854671 403581870 /nfs/dbraw/zinc/58/18/70/403581870.db2.gz JYKBQQMGKOWCAW-MRXNPFEDSA-N 1 1 303.362 2.071 20 5 DEBDMO CCOc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000301774724 403677541 /nfs/dbraw/zinc/67/75/41/403677541.db2.gz QJCIYYPBZVVLCK-NHYWBVRUSA-N 1 1 309.366 2.125 20 5 DEBDMO CCOc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000301774724 403677546 /nfs/dbraw/zinc/67/75/46/403677546.db2.gz QJCIYYPBZVVLCK-NHYWBVRUSA-N 1 1 309.366 2.125 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000347364582 403681084 /nfs/dbraw/zinc/68/10/84/403681084.db2.gz BSJVAUGKYBWGQS-ZGUWOUCSSA-N 1 1 317.389 2.015 20 5 DEBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000341036966 403746375 /nfs/dbraw/zinc/74/63/75/403746375.db2.gz GWUNZQSXCZRACE-UHFFFAOYSA-N 1 1 312.389 2.054 20 5 DEBDMO CN(CCCN(C)c1ccc(F)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000341036966 403746376 /nfs/dbraw/zinc/74/63/76/403746376.db2.gz GWUNZQSXCZRACE-UHFFFAOYSA-N 1 1 312.389 2.054 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000361715204 403820352 /nfs/dbraw/zinc/82/03/52/403820352.db2.gz YTVYTZUFYOQVEP-NHYWBVRUSA-N 1 1 321.352 2.290 20 5 DEBDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347613131 403776099 /nfs/dbraw/zinc/77/60/99/403776099.db2.gz GRKMLGDBFWUAHL-UMVBOHGHSA-N 1 1 324.425 2.299 20 5 DEBDMO CC(C)(O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411568168 403898627 /nfs/dbraw/zinc/89/86/27/403898627.db2.gz LNZOADRITKKPJD-UHFFFAOYSA-N 1 1 321.377 2.159 20 5 DEBDMO CC(C)(O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411397068 403843423 /nfs/dbraw/zinc/84/34/23/403843423.db2.gz GQHUJVVEXHBQDM-AWEZNQCLSA-N 1 1 321.377 2.159 20 5 DEBDMO O=C(CC[N@H+]1CCOC[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411422336 403853700 /nfs/dbraw/zinc/85/37/00/403853700.db2.gz LKBGCUBILFJDNI-OAHLLOKOSA-N 1 1 319.361 2.034 20 5 DEBDMO C[N@@H+](C[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000351699990 403860661 /nfs/dbraw/zinc/86/06/61/403860661.db2.gz OPDXVVLAHIRRCG-INIZCTEOSA-N 1 1 319.405 2.014 20 5 DEBDMO C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295341366 403867635 /nfs/dbraw/zinc/86/76/35/403867635.db2.gz MOJFOTHYDHYBNF-LLVKDONJSA-N 1 1 321.352 2.290 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000347978909 403991000 /nfs/dbraw/zinc/99/10/00/403991000.db2.gz LWSWCMFPYLSAJA-CQSZACIVSA-N 1 1 305.378 2.126 20 5 DEBDMO Cn1ncc2c1CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000411851569 403994356 /nfs/dbraw/zinc/99/43/56/403994356.db2.gz XQNRXCKERFEDQU-UHFFFAOYSA-N 1 1 316.361 2.156 20 5 DEBDMO Cc1nc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295609483 403998189 /nfs/dbraw/zinc/99/81/89/403998189.db2.gz VFAKKRJFFVUGSW-TXEJJXNPSA-N 1 1 307.398 2.473 20 5 DEBDMO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccco1 ZINC000344236875 403999819 /nfs/dbraw/zinc/99/98/19/403999819.db2.gz KNCGPNIYIOSFRL-CYBMUJFWSA-N 1 1 321.308 2.360 20 5 DEBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290075548 404030621 /nfs/dbraw/zinc/03/06/21/404030621.db2.gz ULWYQWPQIZUHQP-KRWDZBQOSA-N 1 1 321.421 2.260 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000352015261 404079823 /nfs/dbraw/zinc/07/98/23/404079823.db2.gz PVMRLZDIZJNPOB-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000352015261 404079826 /nfs/dbraw/zinc/07/98/26/404079826.db2.gz PVMRLZDIZJNPOB-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000290393858 404150982 /nfs/dbraw/zinc/15/09/82/404150982.db2.gz OTBNKWVJPOCLRX-SECBINFHSA-N 1 1 323.374 2.403 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352195858 404206497 /nfs/dbraw/zinc/20/64/97/404206497.db2.gz UWXUVXGJGCYIRT-GFCCVEGCSA-N 1 1 307.350 2.034 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000344647341 404282878 /nfs/dbraw/zinc/28/28/78/404282878.db2.gz RPCMWNQSHBQNKF-CQSZACIVSA-N 1 1 305.378 2.445 20 5 DEBDMO Cc1ccccc1[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000364317497 404346703 /nfs/dbraw/zinc/34/67/03/404346703.db2.gz FEBDXXMQCSQEBM-MRXNPFEDSA-N 1 1 316.361 2.173 20 5 DEBDMO Cc1ccccc1[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000364317497 404346710 /nfs/dbraw/zinc/34/67/10/404346710.db2.gz FEBDXXMQCSQEBM-MRXNPFEDSA-N 1 1 316.361 2.173 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](Oc3ccccc3)C2)n1 ZINC000370031337 404309468 /nfs/dbraw/zinc/30/94/68/404309468.db2.gz ZXHPZCSNHCVKEB-HNNXBMFYSA-N 1 1 316.361 2.335 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000373920716 404641162 /nfs/dbraw/zinc/64/11/62/404641162.db2.gz HKGAZIAGAOYASW-GHMZBOCLSA-N 1 1 307.325 2.091 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000356608048 404619271 /nfs/dbraw/zinc/61/92/71/404619271.db2.gz ZWEORAIXFZDFPG-GFCCVEGCSA-N 1 1 323.393 2.454 20 5 DEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330576045 404692111 /nfs/dbraw/zinc/69/21/11/404692111.db2.gz QXSKJEVXNBKWTJ-FRRDWIJNSA-N 1 1 322.409 2.030 20 5 DEBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(O)cc(F)c3)CC2)n1 ZINC000376083494 404800249 /nfs/dbraw/zinc/80/02/49/404800249.db2.gz OARNAKAXBQBQTB-UHFFFAOYSA-N 1 1 320.324 2.473 20 5 DEBDMO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000415134300 404815945 /nfs/dbraw/zinc/81/59/45/404815945.db2.gz VXKOXPNRFOCGEW-IAGOWNOFSA-N 1 1 319.405 2.313 20 5 DEBDMO CCCCOC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000434486198 404904840 /nfs/dbraw/zinc/90/48/40/404904840.db2.gz QAFLNRUMXGWLLI-MRXNPFEDSA-N 1 1 308.378 2.131 20 5 DEBDMO CCCCOC[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000434486198 404904841 /nfs/dbraw/zinc/90/48/41/404904841.db2.gz QAFLNRUMXGWLLI-MRXNPFEDSA-N 1 1 308.378 2.131 20 5 DEBDMO COC[C@]1(C)CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000451196632 404897214 /nfs/dbraw/zinc/89/72/14/404897214.db2.gz BHDLRBROQOEWGY-MRXNPFEDSA-N 1 1 321.377 2.200 20 5 DEBDMO COC[C@]1(C)CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000451196632 404897223 /nfs/dbraw/zinc/89/72/23/404897223.db2.gz BHDLRBROQOEWGY-MRXNPFEDSA-N 1 1 321.377 2.200 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000353497824 404847806 /nfs/dbraw/zinc/84/78/06/404847806.db2.gz SZPXNLZZTHPROR-LBPRGKRZSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1ccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000378491730 404981224 /nfs/dbraw/zinc/98/12/24/404981224.db2.gz GMAZOBVPZOTACS-DOMZBBRYSA-N 1 1 318.377 2.461 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000378507504 404986167 /nfs/dbraw/zinc/98/61/67/404986167.db2.gz LMTXLDVWZSSYIC-GOEBONIOSA-N 1 1 319.405 2.371 20 5 DEBDMO CC(C)[N@H+](C)C[C@H](C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000391863008 405050627 /nfs/dbraw/zinc/05/06/27/405050627.db2.gz UBRJRLIVTVZQRL-JTQLQIEISA-N 1 1 319.365 2.384 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408069427 405104654 /nfs/dbraw/zinc/10/46/54/405104654.db2.gz BFMBTLNGFUGPOG-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408069427 405104658 /nfs/dbraw/zinc/10/46/58/405104658.db2.gz BFMBTLNGFUGPOG-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000408277421 405160050 /nfs/dbraw/zinc/16/00/50/405160050.db2.gz OXTAIUFTLVPQPL-CYBMUJFWSA-N 1 1 322.340 2.436 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000452113580 405175784 /nfs/dbraw/zinc/17/57/84/405175784.db2.gz ISAWQTXTSGUPNC-ZDUSSCGKSA-N 1 1 317.393 2.386 20 5 DEBDMO COc1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1[N+](=O)[O-] ZINC000425353723 405278635 /nfs/dbraw/zinc/27/86/35/405278635.db2.gz QIIRCKHXEJCRNT-ZDUSSCGKSA-N 1 1 317.349 2.032 20 5 DEBDMO COc1ccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)cc1[N+](=O)[O-] ZINC000425353723 405278638 /nfs/dbraw/zinc/27/86/38/405278638.db2.gz QIIRCKHXEJCRNT-ZDUSSCGKSA-N 1 1 317.349 2.032 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C[NH3+])C(C)(C)C ZINC000420360249 405331363 /nfs/dbraw/zinc/33/13/63/405331363.db2.gz KWOXVQHGNJLQGR-AWEZNQCLSA-N 1 1 322.409 2.195 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C1CCN(CCO)CC1 ZINC000441318262 405334715 /nfs/dbraw/zinc/33/47/15/405334715.db2.gz OOHUHLIJKHXXSO-CYBMUJFWSA-N 1 1 307.394 2.044 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C1CCN(CCO)CC1 ZINC000441318262 405334719 /nfs/dbraw/zinc/33/47/19/405334719.db2.gz OOHUHLIJKHXXSO-CYBMUJFWSA-N 1 1 307.394 2.044 20 5 DEBDMO CCOc1cc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000425547912 405301240 /nfs/dbraw/zinc/30/12/40/405301240.db2.gz MGSUUJLYYQLPCP-LBPRGKRZSA-N 1 1 317.349 2.101 20 5 DEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000455332502 405397977 /nfs/dbraw/zinc/39/79/77/405397977.db2.gz LVGGMACQNGIRNM-OAHLLOKOSA-N 1 1 322.340 2.293 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420958229 405415577 /nfs/dbraw/zinc/41/55/77/405415577.db2.gz BOQFECRQPPTIDC-CQSZACIVSA-N 1 1 305.378 2.269 20 5 DEBDMO CN(C(=O)C[N@H+]1CC[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000426461743 405361958 /nfs/dbraw/zinc/36/19/58/405361958.db2.gz TUFFXRMHNYURLJ-WFASDCNBSA-N 1 1 303.362 2.432 20 5 DEBDMO Cc1c(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000421033767 405437682 /nfs/dbraw/zinc/43/76/82/405437682.db2.gz AZUSFFPPYIOCEC-GFCCVEGCSA-N 1 1 306.366 2.461 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421087496 405445784 /nfs/dbraw/zinc/44/57/84/405445784.db2.gz BZJKLQGABVVJPH-ZDUSSCGKSA-N 1 1 306.366 2.461 20 5 DEBDMO COc1cc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000421365537 405475374 /nfs/dbraw/zinc/47/53/74/405475374.db2.gz UVDGZSXPBVOONO-NWDGAFQWSA-N 1 1 324.377 2.062 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000577742924 405504875 /nfs/dbraw/zinc/50/48/75/405504875.db2.gz KAGGKAJJWWKZJN-DZGCQCFKSA-N 1 1 305.378 2.272 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000421713595 405608285 /nfs/dbraw/zinc/60/82/85/405608285.db2.gz SYSKYQHPYJUCJS-CYBMUJFWSA-N 1 1 319.405 2.425 20 5 DEBDMO Cn1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000449503497 405584779 /nfs/dbraw/zinc/58/47/79/405584779.db2.gz UFPMSQQLXGSXRY-ZDUSSCGKSA-N 1 1 301.350 2.103 20 5 DEBDMO Cn1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000449503497 405584783 /nfs/dbraw/zinc/58/47/83/405584783.db2.gz UFPMSQQLXGSXRY-ZDUSSCGKSA-N 1 1 301.350 2.103 20 5 DEBDMO COCCC[N@@H+](C)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515432447 406069354 /nfs/dbraw/zinc/06/93/54/406069354.db2.gz DFJYTWLWUOULMI-HNNXBMFYSA-N 1 1 307.394 2.140 20 5 DEBDMO Cn1ccnc1[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000533865803 406164091 /nfs/dbraw/zinc/16/40/91/406164091.db2.gz BATSZHNCARAMKZ-CQSZACIVSA-N 1 1 300.362 2.360 20 5 DEBDMO CC(C)[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000533358528 406138765 /nfs/dbraw/zinc/13/87/65/406138765.db2.gz WSXOMMWXPXXKOS-OAHLLOKOSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000534843990 406196501 /nfs/dbraw/zinc/19/65/01/406196501.db2.gz DKHJUDIGXHZJBM-FRRDWIJNSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000534843990 406196504 /nfs/dbraw/zinc/19/65/04/406196504.db2.gz DKHJUDIGXHZJBM-FRRDWIJNSA-N 1 1 321.377 2.015 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000536516069 406261274 /nfs/dbraw/zinc/26/12/74/406261274.db2.gz STYLCSRGFWNEJM-NSHDSACASA-N 1 1 316.361 2.148 20 5 DEBDMO CC(C)[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000487984066 406282123 /nfs/dbraw/zinc/28/21/23/406282123.db2.gz ADIOLNFAPMTGKX-HNNXBMFYSA-N 1 1 307.394 2.246 20 5 DEBDMO Cc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000488711252 406339567 /nfs/dbraw/zinc/33/95/67/406339567.db2.gz HMLOYISLUXJHRF-SGMGOOAPSA-N 1 1 304.394 2.465 20 5 DEBDMO C[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000570376742 406384765 /nfs/dbraw/zinc/38/47/65/406384765.db2.gz NDPPDUDPPKLPTM-VXGBXAGGSA-N 1 1 305.378 2.297 20 5 DEBDMO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCO[C@@H]1C ZINC000489430509 406404115 /nfs/dbraw/zinc/40/41/15/406404115.db2.gz PHWMDTOPZQYNJB-OCCSQVGLSA-N 1 1 324.377 2.229 20 5 DEBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCO[C@@H]1C ZINC000489466811 406408908 /nfs/dbraw/zinc/40/89/08/406408908.db2.gz ZFHYQHPJKVBGMF-ABAIWWIYSA-N 1 1 312.341 2.360 20 5 DEBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCO[C@@H]1C ZINC000489466811 406408911 /nfs/dbraw/zinc/40/89/11/406408911.db2.gz ZFHYQHPJKVBGMF-ABAIWWIYSA-N 1 1 312.341 2.360 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000522810564 406411311 /nfs/dbraw/zinc/41/13/11/406411311.db2.gz LKXYAWAJDWGDQU-NSHDSACASA-N 1 1 309.341 2.194 20 5 DEBDMO CC(=O)c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489932897 406440135 /nfs/dbraw/zinc/44/01/35/406440135.db2.gz GIJJKWRYKRLAEJ-GFCCVEGCSA-N 1 1 300.318 2.421 20 5 DEBDMO CC(C)[C@@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000571016069 406465266 /nfs/dbraw/zinc/46/52/66/406465266.db2.gz DBUHPCWNVZQEDV-BBRMVZONSA-N 1 1 319.405 2.497 20 5 DEBDMO C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@@H]12 ZINC000525788063 406503040 /nfs/dbraw/zinc/50/30/40/406503040.db2.gz DPZRQKODUAOYDE-SYAUCNOPSA-N 1 1 322.409 2.053 20 5 DEBDMO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000491686869 406669303 /nfs/dbraw/zinc/66/93/03/406669303.db2.gz SZLAPZQJKWBZNM-UFNQUYMESA-N 1 1 315.373 2.303 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491891012 406765941 /nfs/dbraw/zinc/76/59/41/406765941.db2.gz YJZXUEIEBMVFCD-FMFIFOJESA-N 1 1 303.362 2.161 20 5 DEBDMO CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491794073 406723562 /nfs/dbraw/zinc/72/35/62/406723562.db2.gz JFEHZRSYKNWFRP-KQQSKNTNSA-N 1 1 315.373 2.303 20 5 DEBDMO CC[C@@H](CCO)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353526568 286832164 /nfs/dbraw/zinc/83/21/64/286832164.db2.gz BDRGBMXOJFXAHB-ZFWWWQNUSA-N 1 1 318.377 2.168 20 5 DEBDMO COCC[N@@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000131873865 196206745 /nfs/dbraw/zinc/20/67/45/196206745.db2.gz BVLFXBVKHBXILQ-BETUJISGSA-N 1 1 323.393 2.149 20 5 DEBDMO Cc1[nH+]ccn1CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000297417318 227140033 /nfs/dbraw/zinc/14/00/33/227140033.db2.gz MFRAHDSGAIUNNG-UHFFFAOYSA-N 1 1 322.752 2.112 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000413434199 424944640 /nfs/dbraw/zinc/94/46/40/424944640.db2.gz FPGKFMPWDFIGSN-GFCCVEGCSA-N 1 1 315.377 2.682 20 5 DEBDMO CC(C)Oc1nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594546389 425012357 /nfs/dbraw/zinc/01/23/57/425012357.db2.gz JWXYBFMKKRTJDD-STQMWFEESA-N 1 1 320.393 2.816 20 5 DEBDMO CC(C)Oc1nc(N[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596337043 425024044 /nfs/dbraw/zinc/02/40/44/425024044.db2.gz SVEZIZOBPRLLRA-LBPRGKRZSA-N 1 1 322.409 3.062 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1C ZINC000611222077 425080175 /nfs/dbraw/zinc/08/01/75/425080175.db2.gz XBXZFJHTWKOWPR-ZJUUUORDSA-N 1 1 309.395 2.223 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCc1cnccn1 ZINC000430202256 269125636 /nfs/dbraw/zinc/12/56/36/269125636.db2.gz MDGKHGZXFVGICA-UHFFFAOYSA-N 1 1 302.334 2.068 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCc1cnccn1 ZINC000430202256 269125638 /nfs/dbraw/zinc/12/56/38/269125638.db2.gz MDGKHGZXFVGICA-UHFFFAOYSA-N 1 1 302.334 2.068 20 5 DEBDMO CN1C[C@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)OC1=O ZINC000495590639 269157943 /nfs/dbraw/zinc/15/79/43/269157943.db2.gz DGWCNASKVYUMTJ-CQSZACIVSA-N 1 1 305.334 2.010 20 5 DEBDMO CN1C[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)OC1=O ZINC000495590639 269157945 /nfs/dbraw/zinc/15/79/45/269157945.db2.gz DGWCNASKVYUMTJ-CQSZACIVSA-N 1 1 305.334 2.010 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000524719639 269476236 /nfs/dbraw/zinc/47/62/36/269476236.db2.gz FEVRUWVYIAWTDN-JTQLQIEISA-N 1 1 311.769 2.320 20 5 DEBDMO Cn1cc([C@H](CO)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000278828777 274894164 /nfs/dbraw/zinc/89/41/64/274894164.db2.gz TTYJACUMKNGAIA-HOTGVXAUSA-N 1 1 316.361 2.029 20 5 DEBDMO CCN1CC[NH+]([C@@H]2CCN(c3cc(C)ccc3[N+](=O)[O-])C2)CC1 ZINC000268040802 276198727 /nfs/dbraw/zinc/19/87/27/276198727.db2.gz OGJITZJFYZYQLL-OAHLLOKOSA-N 1 1 318.421 2.119 20 5 DEBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424369761 278222100 /nfs/dbraw/zinc/22/21/00/278222100.db2.gz CJQJMRAGJNEYTH-NILFDRSVSA-N 1 1 320.393 2.171 20 5 DEBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424369761 278222102 /nfs/dbraw/zinc/22/21/02/278222102.db2.gz CJQJMRAGJNEYTH-NILFDRSVSA-N 1 1 320.393 2.171 20 5 DEBDMO C[C@H](CO)[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000361501533 279357371 /nfs/dbraw/zinc/35/73/71/279357371.db2.gz RCMWDXXHNJLAET-CYBMUJFWSA-N 1 1 308.378 2.457 20 5 DEBDMO Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286425053 280588302 /nfs/dbraw/zinc/58/83/02/280588302.db2.gz RKBMNXLJKDFMLJ-UKRRQHHQSA-N 1 1 305.378 2.203 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000275568073 281012328 /nfs/dbraw/zinc/01/23/28/281012328.db2.gz PAEMNSSLPLIMQF-CYBMUJFWSA-N 1 1 307.394 2.185 20 5 DEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000063582406 281505830 /nfs/dbraw/zinc/50/58/30/281505830.db2.gz RDQAWVISEBCEDI-LLVKDONJSA-N 1 1 316.361 2.474 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000574809912 326188839 /nfs/dbraw/zinc/18/88/39/326188839.db2.gz XOVQDMRUAUHROZ-HNNXBMFYSA-N 1 1 306.362 2.475 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@H]1C1CCC1 ZINC000574809912 326188843 /nfs/dbraw/zinc/18/88/43/326188843.db2.gz XOVQDMRUAUHROZ-HNNXBMFYSA-N 1 1 306.362 2.475 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000295160415 533900607 /nfs/dbraw/zinc/90/06/07/533900607.db2.gz NDQZCGNHUPFDMW-LBPRGKRZSA-N 1 1 323.393 2.323 20 5 DEBDMO C[C@@H]1OCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000331354956 534165775 /nfs/dbraw/zinc/16/57/75/534165775.db2.gz PZVQHTVXTJABHD-RYUDHWBXSA-N 1 1 307.350 2.033 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000158130178 520243456 /nfs/dbraw/zinc/24/34/56/520243456.db2.gz MWAQTFZLOAVVLR-LBPRGKRZSA-N 1 1 323.368 2.077 20 5 DEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000377157152 534879785 /nfs/dbraw/zinc/87/97/85/534879785.db2.gz DHSYDOCBGUXMRH-CQSZACIVSA-N 1 1 301.346 2.248 20 5 DEBDMO Cc1nc(N(C)CC(C)(C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000130175620 526949814 /nfs/dbraw/zinc/94/98/14/526949814.db2.gz YGTOQQMDTXNLNP-UHFFFAOYSA-N 1 1 322.409 2.093 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000363885191 527373197 /nfs/dbraw/zinc/37/31/97/527373197.db2.gz HWYZYUVXTORZDA-UHFFFAOYSA-N 1 1 306.362 2.476 20 5 DEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000456337787 535851494 /nfs/dbraw/zinc/85/14/94/535851494.db2.gz CEIDQUFUFTZGEQ-CYBMUJFWSA-N 1 1 309.341 2.290 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000456337787 535851499 /nfs/dbraw/zinc/85/14/99/535851499.db2.gz CEIDQUFUFTZGEQ-CYBMUJFWSA-N 1 1 309.341 2.290 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000493240763 536472097 /nfs/dbraw/zinc/47/20/97/536472097.db2.gz XBFMEQFZKXRXHM-XHDPSFHLSA-N 1 1 321.352 2.290 20 5 DEBDMO CO[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000451636034 536647452 /nfs/dbraw/zinc/64/74/52/536647452.db2.gz YUXNGDTZGIWVKA-CHWSQXEVSA-N 1 1 318.333 2.302 20 5 DEBDMO COC(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000346663820 536808683 /nfs/dbraw/zinc/80/86/83/536808683.db2.gz XCSYHCCFZJETQP-ONGXEEELSA-N 1 1 319.317 2.119 20 5 DEBDMO COC(=O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000346663820 536808689 /nfs/dbraw/zinc/80/86/89/536808689.db2.gz XCSYHCCFZJETQP-ONGXEEELSA-N 1 1 319.317 2.119 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000892723115 625487897 /nfs/dbraw/zinc/48/78/97/625487897.db2.gz ZRGXKXBQTNJMLS-NSHDSACASA-N 1 1 319.365 2.299 20 5 DEBDMO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000933283523 624137521 /nfs/dbraw/zinc/13/75/21/624137521.db2.gz JPMMNNBVROUIKD-CYBMUJFWSA-N 1 1 309.341 2.128 20 5 DEBDMO CCO[C@H]1CCC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000891400317 624147197 /nfs/dbraw/zinc/14/71/97/624147197.db2.gz QGEISASTAGAOMO-LBPRGKRZSA-N 1 1 310.350 2.310 20 5 DEBDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000891400317 624147198 /nfs/dbraw/zinc/14/71/98/624147198.db2.gz QGEISASTAGAOMO-LBPRGKRZSA-N 1 1 310.350 2.310 20 5 DEBDMO O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140080 625046663 /nfs/dbraw/zinc/04/66/63/625046663.db2.gz XFFRBVKAYFZSNI-KLHDSHLOSA-N 1 1 323.437 2.249 20 5 DEBDMO Cc1nn(C[N@@H+]2CCCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000179547544 625796102 /nfs/dbraw/zinc/79/61/02/625796102.db2.gz TYXSCTXRILTTMO-NSHDSACASA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1nn(C[N@H+]2CCCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000179547544 625796105 /nfs/dbraw/zinc/79/61/05/625796105.db2.gz TYXSCTXRILTTMO-NSHDSACASA-N 1 1 304.350 2.321 20 5 DEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000996429700 633260411 /nfs/dbraw/zinc/26/04/11/633260411.db2.gz SRJNQONCRXJLEY-HZPDHXFCSA-N 1 1 323.437 2.203 20 5 DEBDMO O=C(NCC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001399241 635477784 /nfs/dbraw/zinc/47/77/84/635477784.db2.gz KKCMQPZNEDQKFD-HZPDHXFCSA-N 1 1 323.437 2.060 20 5 DEBDMO C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000894016180 636093248 /nfs/dbraw/zinc/09/32/48/636093248.db2.gz NHINKPPMXNREJU-QWHCGFSZSA-N 1 1 320.393 2.297 20 5 DEBDMO COc1c(O)ccc(CNC[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000894456960 637048139 /nfs/dbraw/zinc/04/81/39/637048139.db2.gz RZUKTYTWUFLXDY-GFCCVEGCSA-N 1 1 323.393 2.129 20 5 DEBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000928443057 637245028 /nfs/dbraw/zinc/24/50/28/637245028.db2.gz XMZUJJPQQAGACH-RBZYPMLTSA-N 1 1 309.341 2.046 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCCC[C@@H]3CO)nc2c1 ZINC000895151639 637674939 /nfs/dbraw/zinc/67/49/39/637674939.db2.gz VMZMSKAEWGWIGN-GFCCVEGCSA-N 1 1 305.334 2.473 20 5 DEBDMO O=[N+]([O-])c1c(F)nccc1N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000895569751 638094631 /nfs/dbraw/zinc/09/46/31/638094631.db2.gz NGLHQCIPUNBQIB-KOLCDFICSA-N 1 1 312.370 2.121 20 5 DEBDMO O=[N+]([O-])c1c(F)nccc1N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000895569751 638094636 /nfs/dbraw/zinc/09/46/36/638094636.db2.gz NGLHQCIPUNBQIB-KOLCDFICSA-N 1 1 312.370 2.121 20 5 DEBDMO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)F ZINC000895724657 638167877 /nfs/dbraw/zinc/16/78/77/638167877.db2.gz ILGOIMAZNUSPDS-SECBINFHSA-N 1 1 300.309 2.202 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000895817511 638213233 /nfs/dbraw/zinc/21/32/33/638213233.db2.gz JEMQBGGNMKXOIS-ZDUSSCGKSA-N 1 1 305.378 2.283 20 5 DEBDMO COC(=O)N[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895851353 638234547 /nfs/dbraw/zinc/23/45/47/638234547.db2.gz WDFZLYWYMRNKDW-BPJJOFIESA-N 1 1 305.334 2.038 20 5 DEBDMO COC(=O)N[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895851353 638234549 /nfs/dbraw/zinc/23/45/49/638234549.db2.gz WDFZLYWYMRNKDW-BPJJOFIESA-N 1 1 305.334 2.038 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2C[C@H](OC)CC[C@H]2C)c1[N+](=O)[O-] ZINC000896076166 638342544 /nfs/dbraw/zinc/34/25/44/638342544.db2.gz NNGNJUGANWBZAF-ZYHUDNBSSA-N 1 1 310.350 2.308 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2C[C@H](OC)CC[C@H]2C)c1[N+](=O)[O-] ZINC000896076166 638342548 /nfs/dbraw/zinc/34/25/48/638342548.db2.gz NNGNJUGANWBZAF-ZYHUDNBSSA-N 1 1 310.350 2.308 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@@H+](CCc2ccccc2)C2CC2)c1 ZINC000746664377 638366626 /nfs/dbraw/zinc/36/66/26/638366626.db2.gz YZTIPIBNXGVCBS-UHFFFAOYSA-N 1 1 300.362 2.498 20 5 DEBDMO O=[N+]([O-])c1c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2ccccn21 ZINC000727827049 638403713 /nfs/dbraw/zinc/40/37/13/638403713.db2.gz SVIIVKSHCIDIRZ-LLVKDONJSA-N 1 1 312.333 2.350 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000747576952 638451553 /nfs/dbraw/zinc/45/15/53/638451553.db2.gz XVYQTBILSVXMKV-LBPRGKRZSA-N 1 1 307.350 2.208 20 5 DEBDMO CN(C)c1cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc[nH+]1 ZINC000748584577 638574341 /nfs/dbraw/zinc/57/43/41/638574341.db2.gz LHBBJTLVYUGSIL-UHFFFAOYSA-N 1 1 304.281 2.447 20 5 DEBDMO C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000896612829 638603824 /nfs/dbraw/zinc/60/38/24/638603824.db2.gz PHMXFNBJLKTWTN-QWHCGFSZSA-N 1 1 320.393 2.297 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000749800623 638683275 /nfs/dbraw/zinc/68/32/75/638683275.db2.gz RZLOJBWECFRSGY-STQMWFEESA-N 1 1 316.361 2.260 20 5 DEBDMO CON(C)C(=O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000788018319 639072459 /nfs/dbraw/zinc/07/24/59/639072459.db2.gz BFUITJYWOWSLIV-UHFFFAOYSA-N 1 1 315.757 2.090 20 5 DEBDMO CON(C)C(=O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000788018319 639072464 /nfs/dbraw/zinc/07/24/64/639072464.db2.gz BFUITJYWOWSLIV-UHFFFAOYSA-N 1 1 315.757 2.090 20 5 DEBDMO C[C@H](CNC(=O)N1CCC[N@@H+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897077850 639161367 /nfs/dbraw/zinc/16/13/67/639161367.db2.gz KQDGWMVQGQACDO-CYBMUJFWSA-N 1 1 320.393 2.045 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000925235518 639728701 /nfs/dbraw/zinc/72/87/01/639728701.db2.gz HRQVWFXLBAZRRD-CYBMUJFWSA-N 1 1 320.393 2.393 20 5 DEBDMO CC1(C)OCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CO1 ZINC000758010585 639906574 /nfs/dbraw/zinc/90/65/74/639906574.db2.gz PDWOHMIWGIJSDN-UHFFFAOYSA-N 1 1 300.742 2.489 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000758598421 639977343 /nfs/dbraw/zinc/97/73/43/639977343.db2.gz XZTDTSZTNBMWSO-IINYFYTJSA-N 1 1 321.352 2.255 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000758974366 640015506 /nfs/dbraw/zinc/01/55/06/640015506.db2.gz PYIVWUGMRLEXOS-UHFFFAOYSA-N 1 1 316.361 2.405 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000758974366 640015512 /nfs/dbraw/zinc/01/55/12/640015512.db2.gz PYIVWUGMRLEXOS-UHFFFAOYSA-N 1 1 316.361 2.405 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000740839459 640116262 /nfs/dbraw/zinc/11/62/62/640116262.db2.gz KUNXHGKZJWOROW-YPMHNXCESA-N 1 1 320.393 2.122 20 5 DEBDMO CC(=O)c1c(NCCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000763203183 640515217 /nfs/dbraw/zinc/51/52/17/640515217.db2.gz LIRNSSWLCPPFFX-UHFFFAOYSA-N 1 1 321.377 2.322 20 5 DEBDMO Cc1[nH+]ccn1CCCOC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000767642131 641004022 /nfs/dbraw/zinc/00/40/22/641004022.db2.gz RSFGKPUCVYSVTM-UHFFFAOYSA-N 1 1 303.318 2.276 20 5 DEBDMO O=C1OCCN1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000768544951 641094575 /nfs/dbraw/zinc/09/45/75/641094575.db2.gz VYHLFYBKMPNXKL-UHFFFAOYSA-N 1 1 305.334 2.011 20 5 DEBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000768841265 641132539 /nfs/dbraw/zinc/13/25/39/641132539.db2.gz JMQUTOWVSUONOP-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000768841265 641132544 /nfs/dbraw/zinc/13/25/44/641132544.db2.gz JMQUTOWVSUONOP-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO CCN1CCC([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776280039 642153198 /nfs/dbraw/zinc/15/31/98/642153198.db2.gz WGOAIHXTPMHTNO-INIZCTEOSA-N 1 1 307.394 2.044 20 5 DEBDMO CCN1CCC([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776280039 642153201 /nfs/dbraw/zinc/15/32/01/642153201.db2.gz WGOAIHXTPMHTNO-INIZCTEOSA-N 1 1 307.394 2.044 20 5 DEBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000776582934 642188163 /nfs/dbraw/zinc/18/81/63/642188163.db2.gz WVHPPMPZBWOFSB-IAGOWNOFSA-N 1 1 316.357 2.294 20 5 DEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588672 642189701 /nfs/dbraw/zinc/18/97/01/642189701.db2.gz NMVROUYFAGAFMI-DOTOQJQBSA-N 1 1 321.421 2.434 20 5 DEBDMO CC[N@@H+](C)C[C@@H](O)COc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000899906727 642207909 /nfs/dbraw/zinc/20/79/09/642207909.db2.gz MOHCCHGMHMFNTD-SECBINFHSA-N 1 1 322.283 2.305 20 5 DEBDMO CC(C)O[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000842612006 650781786 /nfs/dbraw/zinc/78/17/86/650781786.db2.gz RKNZWONEWKOBBD-CQSZACIVSA-N 1 1 304.350 2.401 20 5 DEBDMO CC(C)O[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000842612006 650781791 /nfs/dbraw/zinc/78/17/91/650781791.db2.gz RKNZWONEWKOBBD-CQSZACIVSA-N 1 1 304.350 2.401 20 5 DEBDMO Cc1nn(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000842624242 650785669 /nfs/dbraw/zinc/78/56/69/650785669.db2.gz IIPBBWXYCQUIHN-MRXNPFEDSA-N 1 1 318.377 2.205 20 5 DEBDMO Cc1nn(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000842624242 650785674 /nfs/dbraw/zinc/78/56/74/650785674.db2.gz IIPBBWXYCQUIHN-MRXNPFEDSA-N 1 1 318.377 2.205 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783918043 643068110 /nfs/dbraw/zinc/06/81/10/643068110.db2.gz CLUIUSGQXCIDDT-SNVBAGLBSA-N 1 1 311.769 2.462 20 5 DEBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000805825290 643442519 /nfs/dbraw/zinc/44/25/19/643442519.db2.gz PJQBTRDROAPXQP-CYBMUJFWSA-N 1 1 323.368 2.472 20 5 DEBDMO COc1c(C(=O)OCCCn2cc[nH+]c2C)cccc1[N+](=O)[O-] ZINC000796311010 644716286 /nfs/dbraw/zinc/71/62/86/644716286.db2.gz YQDVFVPLEKHGEY-UHFFFAOYSA-N 1 1 319.317 2.355 20 5 DEBDMO CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000796315701 644718008 /nfs/dbraw/zinc/71/80/08/644718008.db2.gz KOWYQZYIKCYGPC-NSHDSACASA-N 1 1 308.338 2.029 20 5 DEBDMO Cc1ccc(C[N@@H+](CCO)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000796559685 644753955 /nfs/dbraw/zinc/75/39/55/644753955.db2.gz XFMNTVNYIFLKME-MRXNPFEDSA-N 1 1 320.345 2.024 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000843790548 651030049 /nfs/dbraw/zinc/03/00/49/651030049.db2.gz GAKSGCRWSBRNII-LBPRGKRZSA-N 1 1 321.352 2.256 20 5 DEBDMO C[N@H+](CCC1CC1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840033222 645742355 /nfs/dbraw/zinc/74/23/55/645742355.db2.gz WKRYHDGRVNCGEO-MRXNPFEDSA-N 1 1 319.361 2.221 20 5 DEBDMO C[N@@H+](CCC1CC1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840033222 645742360 /nfs/dbraw/zinc/74/23/60/645742360.db2.gz WKRYHDGRVNCGEO-MRXNPFEDSA-N 1 1 319.361 2.221 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000843855906 651040592 /nfs/dbraw/zinc/04/05/92/651040592.db2.gz BTKRTDVQXYCXEZ-UHFFFAOYSA-N 1 1 309.341 2.209 20 5 DEBDMO Cc1cc[nH+]c(N2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)c1 ZINC000804558792 645789384 /nfs/dbraw/zinc/78/93/84/645789384.db2.gz KXCDGLBNVUICEU-UHFFFAOYSA-N 1 1 313.361 2.207 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000151033719 646239919 /nfs/dbraw/zinc/23/99/19/646239919.db2.gz JLHUKVZJPAKROZ-LBPRGKRZSA-N 1 1 323.368 2.456 20 5 DEBDMO Cc1cccc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000913289632 646318273 /nfs/dbraw/zinc/31/82/73/646318273.db2.gz GVXRIZCMYNFFMG-CALCHBBNSA-N 1 1 317.389 2.317 20 5 DEBDMO CC(C)[C@@]1(CO)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000815230243 646990639 /nfs/dbraw/zinc/99/06/39/646990639.db2.gz MVTINBUKYXDSLN-IRXDYDNUSA-N 1 1 322.405 2.359 20 5 DEBDMO C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628132 647036952 /nfs/dbraw/zinc/03/69/52/647036952.db2.gz RUTTVEOSHCIMEV-GXSJLCMTSA-N 1 1 301.350 2.108 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCOCC1 ZINC000817239158 647247105 /nfs/dbraw/zinc/24/71/05/647247105.db2.gz HQLGFVAVQKNMRV-UHFFFAOYSA-N 1 1 322.361 2.091 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000817290540 647259766 /nfs/dbraw/zinc/25/97/66/647259766.db2.gz KBWCCNCZHPCZQP-CYBMUJFWSA-N 1 1 321.333 2.382 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000817290540 647259767 /nfs/dbraw/zinc/25/97/67/647259767.db2.gz KBWCCNCZHPCZQP-CYBMUJFWSA-N 1 1 321.333 2.382 20 5 DEBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+](CC3CC3)C2)nc2ccccn21 ZINC000731030983 647441870 /nfs/dbraw/zinc/44/18/70/647441870.db2.gz WRCXYBIJJKTBNB-LBPRGKRZSA-N 1 1 301.350 2.139 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000914909132 647448963 /nfs/dbraw/zinc/44/89/63/647448963.db2.gz DXQZVOOVPZMAOB-ZDUSSCGKSA-N 1 1 322.361 2.391 20 5 DEBDMO C[C@@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000818968972 647553025 /nfs/dbraw/zinc/55/30/25/647553025.db2.gz HZHPRYXJELDLPD-WMLDXEAASA-N 1 1 321.421 2.340 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819325082 647635654 /nfs/dbraw/zinc/63/56/54/647635654.db2.gz XGHUHRFWFQSVLK-XJKSGUPXSA-N 1 1 309.410 2.338 20 5 DEBDMO CCCN(CC)C[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819325082 647635655 /nfs/dbraw/zinc/63/56/55/647635655.db2.gz XGHUHRFWFQSVLK-XJKSGUPXSA-N 1 1 309.410 2.338 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)COc1ccccc1[N+](=O)[O-] ZINC000915865164 647652108 /nfs/dbraw/zinc/65/21/08/647652108.db2.gz CWQFJLLLLFFANM-ZDUSSCGKSA-N 1 1 322.361 2.391 20 5 DEBDMO C[C@@H]1CC[NH2+][C@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC000822862422 648306134 /nfs/dbraw/zinc/30/61/34/648306134.db2.gz ISEQZRBGHJQNKK-SKDRFNHKSA-N 1 1 303.322 2.024 20 5 DEBDMO Cn1ncc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000824820967 648657461 /nfs/dbraw/zinc/65/74/61/648657461.db2.gz RPYQZLAFFJDWGS-ZDUSSCGKSA-N 1 1 301.350 2.103 20 5 DEBDMO Cn1ncc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000824820967 648657466 /nfs/dbraw/zinc/65/74/66/648657466.db2.gz RPYQZLAFFJDWGS-ZDUSSCGKSA-N 1 1 301.350 2.103 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1Cl ZINC000826846085 648935557 /nfs/dbraw/zinc/93/55/57/648935557.db2.gz PIMSMRFODYBSQS-LBPRGKRZSA-N 1 1 321.768 2.362 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827232987 648997921 /nfs/dbraw/zinc/99/79/21/648997921.db2.gz NTRLGAKUWLVWLU-AAEUAGOBSA-N 1 1 321.352 2.209 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC[C@@H]21 ZINC000827289195 649008208 /nfs/dbraw/zinc/00/82/08/649008208.db2.gz QOJBMOJXJSYTSQ-AAEUAGOBSA-N 1 1 323.780 2.414 20 5 DEBDMO COC(=O)NC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000827933996 649108106 /nfs/dbraw/zinc/10/81/06/649108106.db2.gz HRCMJLLFMRVLGN-UHFFFAOYSA-N 1 1 307.350 2.224 20 5 DEBDMO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000830864074 649506111 /nfs/dbraw/zinc/50/61/11/649506111.db2.gz SWNQIAGFYPPWPZ-AWEZNQCLSA-N 1 1 311.357 2.326 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000844414047 651125122 /nfs/dbraw/zinc/12/51/22/651125122.db2.gz YNHLTVKYWRCNEI-UHFFFAOYSA-N 1 1 319.340 2.238 20 5 DEBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000844420534 651126024 /nfs/dbraw/zinc/12/60/24/651126024.db2.gz BSLOVZUBZFBHPN-IUODEOHRSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000844420534 651126025 /nfs/dbraw/zinc/12/60/25/651126025.db2.gz BSLOVZUBZFBHPN-IUODEOHRSA-N 1 1 306.362 2.272 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000845738374 651276381 /nfs/dbraw/zinc/27/63/81/651276381.db2.gz MMQIRZLJTBQJGW-ZDUSSCGKSA-N 1 1 322.361 2.390 20 5 DEBDMO COc1cccc(C(=O)OC[C@@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000845821607 651286469 /nfs/dbraw/zinc/28/64/69/651286469.db2.gz YXZDKSOUZGDXEI-MNOVXSKESA-N 1 1 308.334 2.100 20 5 DEBDMO C[N@@H+](C[C@H]1CCOC1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848480506 651461962 /nfs/dbraw/zinc/46/19/62/651461962.db2.gz NVKGORIAUCUUIT-CYBMUJFWSA-N 1 1 316.361 2.384 20 5 DEBDMO C[N@@H+](C[C@@H]1CCCOC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000107670866 651467496 /nfs/dbraw/zinc/46/74/96/651467496.db2.gz REAXDQIXDDGRQH-LBPRGKRZSA-N 1 1 304.350 2.260 20 5 DEBDMO CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[N@@H+](C)C1 ZINC000855360812 651682693 /nfs/dbraw/zinc/68/26/93/651682693.db2.gz OQYDKXDYLSCXHS-NSHDSACASA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1ccc(COC(=O)c2cc(C[NH+](C)C)on2)cc1[N+](=O)[O-] ZINC001356120594 1152059088 /nfs/dbraw/zinc/05/90/88/1152059088.db2.gz XNNQUHROVJFDGS-UHFFFAOYSA-N 1 1 319.317 2.310 20 5 DEBDMO CCCC[N@H+](CC)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000078330191 683961224 /nfs/dbraw/zinc/96/12/24/683961224.db2.gz YSLCHPHUDDSOLQ-UHFFFAOYSA-N 1 1 305.334 2.270 20 5 DEBDMO CCCC[N@@H+](CC)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000078330191 683961225 /nfs/dbraw/zinc/96/12/25/683961225.db2.gz YSLCHPHUDDSOLQ-UHFFFAOYSA-N 1 1 305.334 2.270 20 5 DEBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860564154 685939794 /nfs/dbraw/zinc/93/97/94/685939794.db2.gz QUGOKZQQGUBPKZ-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860564154 685939796 /nfs/dbraw/zinc/93/97/96/685939796.db2.gz QUGOKZQQGUBPKZ-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000861339265 686046518 /nfs/dbraw/zinc/04/65/18/686046518.db2.gz SUHLCVZXULSFOZ-LRDDRELGSA-N 1 1 322.361 2.169 20 5 DEBDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000862545046 686319255 /nfs/dbraw/zinc/31/92/55/686319255.db2.gz GMHXTCCYCGRDBG-TZMCWYRMSA-N 1 1 304.346 2.323 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000862792733 686378802 /nfs/dbraw/zinc/37/88/02/686378802.db2.gz BVRFJEFBMFHPMW-NSHDSACASA-N 1 1 309.341 2.196 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000929802766 694031463 /nfs/dbraw/zinc/03/14/63/694031463.db2.gz JYMGCGUYNJYXGX-AWEZNQCLSA-N 1 1 303.362 2.357 20 5 DEBDMO O=[N+]([O-])CCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000929848412 694041884 /nfs/dbraw/zinc/04/18/84/694041884.db2.gz SAQLBEZNQKVUBJ-IAGOWNOFSA-N 1 1 303.406 2.250 20 5 DEBDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC[N+](=O)[O-] ZINC000930065477 694081963 /nfs/dbraw/zinc/08/19/63/694081963.db2.gz KCOHXBDTBVUVCF-WMLDXEAASA-N 1 1 320.437 2.199 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000930073813 694084242 /nfs/dbraw/zinc/08/42/42/694084242.db2.gz DJRJTXQTKFNAPY-HNNXBMFYSA-N 1 1 305.378 2.426 20 5 DEBDMO C[C@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1O ZINC000930162130 694102800 /nfs/dbraw/zinc/10/28/00/694102800.db2.gz MUTDFCKCCICLBT-QPUJVOFHSA-N 1 1 315.167 2.170 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1O ZINC000930162130 694102804 /nfs/dbraw/zinc/10/28/04/694102804.db2.gz MUTDFCKCCICLBT-QPUJVOFHSA-N 1 1 315.167 2.170 20 5 DEBDMO O=[N+]([O-])c1c(N[C@@H]2CCC[N@H+](CCF)C2)nc2ccccn21 ZINC000865927439 687381651 /nfs/dbraw/zinc/38/16/51/687381651.db2.gz BVIKKIXFFOKZIA-LLVKDONJSA-N 1 1 307.329 2.088 20 5 DEBDMO O=[N+]([O-])c1c(N[C@@H]2CCC[N@@H+](CCF)C2)nc2ccccn21 ZINC000865927439 687381657 /nfs/dbraw/zinc/38/16/57/687381657.db2.gz BVIKKIXFFOKZIA-LLVKDONJSA-N 1 1 307.329 2.088 20 5 DEBDMO COc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000866204988 687490263 /nfs/dbraw/zinc/49/02/63/687490263.db2.gz ILEDOBUOEPAEAB-CMPLNLGQSA-N 1 1 309.341 2.273 20 5 DEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866206384 687491224 /nfs/dbraw/zinc/49/12/24/687491224.db2.gz DAXHLVXHMKZAEK-SWLSCSKDSA-N 1 1 303.362 2.328 20 5 DEBDMO CC(=O)c1ccc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866208311 687492785 /nfs/dbraw/zinc/49/27/85/687492785.db2.gz SNGCLAMHFXTACJ-ZIAGYGMSSA-N 1 1 303.362 2.328 20 5 DEBDMO COc1ccc(C[N@H+](CCc2ccccn2)CC[N+](=O)[O-])cc1 ZINC000930292334 694129302 /nfs/dbraw/zinc/12/93/02/694129302.db2.gz YIGNQPDCBXWXHQ-UHFFFAOYSA-N 1 1 315.373 2.412 20 5 DEBDMO COc1ccc(C[N@@H+](CCc2ccccn2)CC[N+](=O)[O-])cc1 ZINC000930292334 694129304 /nfs/dbraw/zinc/12/93/04/694129304.db2.gz YIGNQPDCBXWXHQ-UHFFFAOYSA-N 1 1 315.373 2.412 20 5 DEBDMO CN(Cc1cccs1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867947199 687846339 /nfs/dbraw/zinc/84/63/39/687846339.db2.gz BPZHHGJABARIDQ-HNNXBMFYSA-N 1 1 319.386 2.489 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000871764319 688863557 /nfs/dbraw/zinc/86/35/57/688863557.db2.gz FSAKINZVCWPMGG-ZIAGYGMSSA-N 1 1 322.340 2.434 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000930861240 694256620 /nfs/dbraw/zinc/25/66/20/694256620.db2.gz BWSONVWZPHJQLQ-SWLSCSKDSA-N 1 1 318.377 2.379 20 5 DEBDMO CC[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1COC ZINC000872772717 689088692 /nfs/dbraw/zinc/08/86/92/689088692.db2.gz ZPDFIDCRNWAYQY-CQSZACIVSA-N 1 1 323.393 2.264 20 5 DEBDMO CC[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1COC ZINC000872772717 689088694 /nfs/dbraw/zinc/08/86/94/689088694.db2.gz ZPDFIDCRNWAYQY-CQSZACIVSA-N 1 1 323.393 2.264 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000874446852 689416343 /nfs/dbraw/zinc/41/63/43/689416343.db2.gz YJYKHJKSPWYGBZ-ZDUSSCGKSA-N 1 1 305.378 2.283 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000874821020 689498013 /nfs/dbraw/zinc/49/80/13/689498013.db2.gz HMSYFRBSWJYQOV-NWDGAFQWSA-N 1 1 307.325 2.043 20 5 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XBCIURQZBHNSJF-WWCKUISVSA-N 1 1 315.373 2.161 20 5 DEBDMO C[N@@H+](CCCCCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000279775540 215135704 /nfs/dbraw/zinc/13/57/04/215135704.db2.gz TZGOKHUTUCLLNB-UHFFFAOYSA-N 1 1 320.349 2.239 20 5 DEBDMO CC1(C)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1 ZINC000279808683 215164095 /nfs/dbraw/zinc/16/40/95/215164095.db2.gz XIHCVUHSVDYSKB-UHFFFAOYSA-N 1 1 323.418 2.411 20 5 DEBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+](C)C1CC1 ZINC000139273777 186021035 /nfs/dbraw/zinc/02/10/35/186021035.db2.gz UZWBBADZHQOYJE-SECBINFHSA-N 1 1 311.769 2.461 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](C)(O)CC1 ZINC000280028253 215321988 /nfs/dbraw/zinc/32/19/88/215321988.db2.gz KTHVRCIUUUKTCK-BLLLJJGKSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177910925 186202590 /nfs/dbraw/zinc/20/25/90/186202590.db2.gz VTXDYVSXFVMMDZ-NWDGAFQWSA-N 1 1 303.362 2.214 20 5 DEBDMO 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/nfs/dbraw/zinc/38/22/47/354382247.db2.gz ZEWVWQSRNPYNMG-CQSZACIVSA-N 1 1 315.377 2.323 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000052192851 354397695 /nfs/dbraw/zinc/39/76/95/354397695.db2.gz URSOGPOTOOTVJR-UHFFFAOYSA-N 1 1 308.725 2.183 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000058273872 354588785 /nfs/dbraw/zinc/58/87/85/354588785.db2.gz UOCFODIRPNCEHC-ZDUSSCGKSA-N 1 1 305.378 2.365 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000066126769 354700322 /nfs/dbraw/zinc/70/03/22/354700322.db2.gz VDLKVBXZOWRDLD-ZDUSSCGKSA-N 1 1 322.409 2.243 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000067211670 354752944 /nfs/dbraw/zinc/75/29/44/354752944.db2.gz HPTIJPUGUQLOQG-UHFFFAOYSA-N 1 1 302.334 2.228 20 5 DEBDMO CCOC(=O)CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000070979449 354893470 /nfs/dbraw/zinc/89/34/70/354893470.db2.gz WUOKWFMUYYENNT-UHFFFAOYSA-N 1 1 321.377 2.060 20 5 DEBDMO CCn1cc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000072981609 354935067 /nfs/dbraw/zinc/93/50/67/354935067.db2.gz GVEOVDSWVOKGPV-UHFFFAOYSA-N 1 1 304.350 2.322 20 5 DEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000074299005 355020701 /nfs/dbraw/zinc/02/07/01/355020701.db2.gz QSAMRVCZQBOLSC-AWEZNQCLSA-N 1 1 317.389 2.399 20 5 DEBDMO CCc1nn(C)c(NC[C@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000091739233 355607076 /nfs/dbraw/zinc/60/70/76/355607076.db2.gz USRXZCBAMRXFJG-GFCCVEGCSA-N 1 1 309.414 2.281 20 5 DEBDMO COCCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000091101689 355580541 /nfs/dbraw/zinc/58/05/41/355580541.db2.gz IXPGPAYUMQSODX-UHFFFAOYSA-N 1 1 300.330 2.219 20 5 DEBDMO COCCCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000091101689 355580546 /nfs/dbraw/zinc/58/05/46/355580546.db2.gz IXPGPAYUMQSODX-UHFFFAOYSA-N 1 1 300.330 2.219 20 5 DEBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000126333817 355816401 /nfs/dbraw/zinc/81/64/01/355816401.db2.gz PWSWKLNCALJNLQ-LAJNKCICSA-N 1 1 314.407 2.063 20 5 DEBDMO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682862 356209554 /nfs/dbraw/zinc/20/95/54/356209554.db2.gz QBSCOGIHPYJTNP-UONOGXRCSA-N 1 1 321.425 2.034 20 5 DEBDMO COC[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000251619676 356333032 /nfs/dbraw/zinc/33/30/32/356333032.db2.gz GMKHVHCHTHEMFW-CJNGLKHVSA-N 1 1 324.377 2.099 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](CO)CC2)c2c(c1)COCO2 ZINC000293253530 356388411 /nfs/dbraw/zinc/38/84/11/356388411.db2.gz UAPQAWINGPTOPR-LBPRGKRZSA-N 1 1 322.361 2.056 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CO)CC1 ZINC000293354567 356389346 /nfs/dbraw/zinc/38/93/46/356389346.db2.gz ZNVQRJSCNLFVNI-OLZOCXBDSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CO)CC1 ZINC000293354567 356389353 /nfs/dbraw/zinc/38/93/53/356389353.db2.gz ZNVQRJSCNLFVNI-OLZOCXBDSA-N 1 1 321.377 2.016 20 5 DEBDMO CCOC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081523467 192282002 /nfs/dbraw/zinc/28/20/02/192282002.db2.gz XVRLRKBIYPZQCD-QWHCGFSZSA-N 1 1 321.377 2.280 20 5 DEBDMO CCOC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081523467 192282005 /nfs/dbraw/zinc/28/20/05/192282005.db2.gz XVRLRKBIYPZQCD-QWHCGFSZSA-N 1 1 321.377 2.280 20 5 DEBDMO C[C@H]1C[N@H+](CCNc2nccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000581772705 357246794 /nfs/dbraw/zinc/24/67/94/357246794.db2.gz PVGUHVIVPGYAAA-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H]1C[N@@H+](CCNc2nccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000581772705 357246798 /nfs/dbraw/zinc/24/67/98/357246798.db2.gz PVGUHVIVPGYAAA-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO CCc1nn(C)c(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000589877340 357503168 /nfs/dbraw/zinc/50/31/68/357503168.db2.gz YCZAYKAGJRMEOA-LBPRGKRZSA-N 1 1 321.425 2.201 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000591061712 357668223 /nfs/dbraw/zinc/66/82/23/357668223.db2.gz FOIXOAVFBVMZGK-ZBFHGGJFSA-N 1 1 320.389 2.457 20 5 DEBDMO C[C@H]1C[C@@H](CO)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591475969 357729437 /nfs/dbraw/zinc/72/94/37/357729437.db2.gz DJNLISYZEJHCHO-UONOGXRCSA-N 1 1 308.378 2.314 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CNc2ccnn2C1 ZINC000592510090 357890211 /nfs/dbraw/zinc/89/02/11/357890211.db2.gz SPMAGMBBJUBTAZ-AWEZNQCLSA-N 1 1 315.377 2.008 20 5 DEBDMO O=C1CC[C@@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000593029565 357990595 /nfs/dbraw/zinc/99/05/95/357990595.db2.gz CCSZTUTWEXVDTP-KBPBESRZSA-N 1 1 303.362 2.053 20 5 DEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C1CC1 ZINC000593127286 358017535 /nfs/dbraw/zinc/01/75/35/358017535.db2.gz UXOUPOJEWFWOHF-LSDHHAIUSA-N 1 1 304.346 2.226 20 5 DEBDMO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000494281032 283316348 /nfs/dbraw/zinc/31/63/48/283316348.db2.gz AWZVVHUMOFVHDW-ZUZCIYMTSA-N 1 1 318.333 2.302 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593495854 358090744 /nfs/dbraw/zinc/09/07/44/358090744.db2.gz SIDBRCSJADRKMU-LBPRGKRZSA-N 1 1 323.368 2.077 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593739704 358134501 /nfs/dbraw/zinc/13/45/01/358134501.db2.gz HYYCHPQLZRGGTK-GFCCVEGCSA-N 1 1 323.368 2.125 20 5 DEBDMO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000594417719 358263557 /nfs/dbraw/zinc/26/35/57/358263557.db2.gz FGLFZHGKKZTIMX-HUUCEWRRSA-N 1 1 319.361 2.047 20 5 DEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000594417719 358263559 /nfs/dbraw/zinc/26/35/59/358263559.db2.gz FGLFZHGKKZTIMX-HUUCEWRRSA-N 1 1 319.361 2.047 20 5 DEBDMO Cc1noc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000595331415 358423549 /nfs/dbraw/zinc/42/35/49/358423549.db2.gz KEQWUOVSTOTOFF-CYBMUJFWSA-N 1 1 308.382 2.055 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000595349371 358428009 /nfs/dbraw/zinc/42/80/09/358428009.db2.gz CFWNYMGAAXVBDR-GXTWGEPZSA-N 1 1 312.366 2.440 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000595349371 358428015 /nfs/dbraw/zinc/42/80/15/358428015.db2.gz CFWNYMGAAXVBDR-GXTWGEPZSA-N 1 1 312.366 2.440 20 5 DEBDMO Cc1c(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000595831568 358558112 /nfs/dbraw/zinc/55/81/12/358558112.db2.gz KAILBORQIZMESG-AWEZNQCLSA-N 1 1 317.389 2.348 20 5 DEBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595858482 358565978 /nfs/dbraw/zinc/56/59/78/358565978.db2.gz VXVPUOZAKFCYCE-FTNCPSPGSA-N 1 1 303.362 2.457 20 5 DEBDMO CCn1nccc1C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000596060710 358600909 /nfs/dbraw/zinc/60/09/09/358600909.db2.gz DUAVBNQQUAPUJS-UHFFFAOYSA-N 1 1 320.349 2.118 20 5 DEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596086029 358607080 /nfs/dbraw/zinc/60/70/80/358607080.db2.gz SPDPVGBABRJKEL-TUAOUCFPSA-N 1 1 308.382 2.474 20 5 DEBDMO C[N@@H+](Cc1ccccc1)C1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596231210 358647568 /nfs/dbraw/zinc/64/75/68/358647568.db2.gz IBILHMGRKBZERI-UHFFFAOYSA-N 1 1 314.345 2.016 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596235988 358648302 /nfs/dbraw/zinc/64/83/02/358648302.db2.gz HNGWCJNLSHELSX-LLVKDONJSA-N 1 1 308.382 2.226 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000596830854 358770726 /nfs/dbraw/zinc/77/07/26/358770726.db2.gz DVBIJQIQMFVTKG-GFCCVEGCSA-N 1 1 322.365 2.209 20 5 DEBDMO NC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000596648239 358732149 /nfs/dbraw/zinc/73/21/49/358732149.db2.gz MXZWERZSNWKPSR-QWHCGFSZSA-N 1 1 307.398 2.136 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597854313 359022041 /nfs/dbraw/zinc/02/20/41/359022041.db2.gz GETDHNBZWFJVJN-LBPRGKRZSA-N 1 1 305.378 2.445 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597926032 359044298 /nfs/dbraw/zinc/04/42/98/359044298.db2.gz ZTVDYCXWJUFKHP-LLVKDONJSA-N 1 1 321.377 2.206 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000598966422 359369896 /nfs/dbraw/zinc/36/98/96/359369896.db2.gz CZMKDYKVPOGDBC-AWEZNQCLSA-N 1 1 320.393 2.126 20 5 DEBDMO Cc1cc(N2CCC([NH+]3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000599106620 359403637 /nfs/dbraw/zinc/40/36/37/359403637.db2.gz XJDZRDZLSYCEDL-UHFFFAOYSA-N 1 1 311.407 2.266 20 5 DEBDMO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000600942016 359867058 /nfs/dbraw/zinc/86/70/58/359867058.db2.gz QKUNNNBNBPVTNU-LBPRGKRZSA-N 1 1 321.308 2.360 20 5 DEBDMO CC(C)C[NH+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600964469 359875160 /nfs/dbraw/zinc/87/51/60/359875160.db2.gz AUSXBADLRPPAIV-UHFFFAOYSA-N 1 1 309.341 2.148 20 5 DEBDMO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCO1 ZINC000619060395 363689940 /nfs/dbraw/zinc/68/99/40/363689940.db2.gz AQTFPDOUEKSKEQ-STQMWFEESA-N 1 1 321.333 2.020 20 5 DEBDMO C[C@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C(=O)NC(C)(C)C ZINC000601108841 359923303 /nfs/dbraw/zinc/92/33/03/359923303.db2.gz PZKVDZDNSRLETP-JTQLQIEISA-N 1 1 316.361 2.280 20 5 DEBDMO COCCO[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601151319 359943122 /nfs/dbraw/zinc/94/31/22/359943122.db2.gz WCJSOOZYCQFWJO-CYBMUJFWSA-N 1 1 317.345 2.385 20 5 DEBDMO CO[C@H]1COCC[C@@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601172002 359952298 /nfs/dbraw/zinc/95/22/98/359952298.db2.gz SSXQBSCIPKIRMY-BZNIZROVSA-N 1 1 317.345 2.028 20 5 DEBDMO CON1CCC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601176246 359953492 /nfs/dbraw/zinc/95/34/92/359953492.db2.gz SZKRLKRIMSMBHJ-UHFFFAOYSA-N 1 1 302.334 2.003 20 5 DEBDMO CC[C@]1(O)CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000602738226 360528490 /nfs/dbraw/zinc/52/84/90/360528490.db2.gz BCZQMSLHSJTFIK-INIZCTEOSA-N 1 1 322.361 2.103 20 5 DEBDMO CC[C@]1(O)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602739323 360529569 /nfs/dbraw/zinc/52/95/69/360529569.db2.gz MPYJHVFGRRYEDH-HNNXBMFYSA-N 1 1 305.334 2.473 20 5 DEBDMO CC[C@]1(O)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602739323 360529570 /nfs/dbraw/zinc/52/95/70/360529570.db2.gz MPYJHVFGRRYEDH-HNNXBMFYSA-N 1 1 305.334 2.473 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCOc1ccccc1F ZINC000602765221 360541673 /nfs/dbraw/zinc/54/16/73/360541673.db2.gz FUINOIVNBLTGQR-UHFFFAOYSA-N 1 1 322.340 2.250 20 5 DEBDMO COc1ccc2c(c1)CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000602896738 360616017 /nfs/dbraw/zinc/61/60/17/360616017.db2.gz QWGFHRTXBWTJSJ-UHFFFAOYSA-N 1 1 316.361 2.167 20 5 DEBDMO COc1ccc2c(c1)CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000602896738 360616019 /nfs/dbraw/zinc/61/60/19/360616019.db2.gz QWGFHRTXBWTJSJ-UHFFFAOYSA-N 1 1 316.361 2.167 20 5 DEBDMO CC[C@]1(O)CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000602983810 360655343 /nfs/dbraw/zinc/65/53/43/360655343.db2.gz URFBEUASQJHLLP-HNNXBMFYSA-N 1 1 312.341 2.479 20 5 DEBDMO CC[C@]1(O)CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000602983810 360655349 /nfs/dbraw/zinc/65/53/49/360655349.db2.gz URFBEUASQJHLLP-HNNXBMFYSA-N 1 1 312.341 2.479 20 5 DEBDMO COc1cccc(C(=O)NCCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000443950492 238131353 /nfs/dbraw/zinc/13/13/53/238131353.db2.gz QUBPCDKAVPQOFC-UHFFFAOYSA-N 1 1 309.366 2.064 20 5 DEBDMO O=[N+]([O-])c1ccc(Cn2cc(C[NH+]3CCCC3)nn2)c(Cl)c1 ZINC000603213922 360749829 /nfs/dbraw/zinc/74/98/29/360749829.db2.gz CFUJIHHJWWSHHI-UHFFFAOYSA-N 1 1 321.768 2.484 20 5 DEBDMO CC[NH+](CC)Cc1cn(Cc2ccc([N+](=O)[O-])cc2OC)nn1 ZINC000603245163 360763352 /nfs/dbraw/zinc/76/33/52/360763352.db2.gz ZSHYCZCQCPNRCV-UHFFFAOYSA-N 1 1 319.365 2.085 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000271997074 209370888 /nfs/dbraw/zinc/37/08/88/209370888.db2.gz QVOXCKICRRGMIR-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO O=[N+]([O-])c1ccccc1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000603560169 360845545 /nfs/dbraw/zinc/84/55/45/360845545.db2.gz HIJXONZWUTYYQE-AWEZNQCLSA-N 1 1 305.378 2.286 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H]([C@@H]4CCOC4)C3)nc2c1 ZINC000444664918 238230523 /nfs/dbraw/zinc/23/05/23/238230523.db2.gz SGNSADXHCISFCA-NWDGAFQWSA-N 1 1 316.361 2.330 20 5 DEBDMO Cc1ccc(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292754507 223230148 /nfs/dbraw/zinc/23/01/48/223230148.db2.gz JZZIZILTYGDVFI-INIZCTEOSA-N 1 1 318.377 2.463 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CCO)C1 ZINC000609848944 361344282 /nfs/dbraw/zinc/34/42/82/361344282.db2.gz QLWWVEPOLMXUFO-QWHCGFSZSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CCO)C1 ZINC000609848944 361344287 /nfs/dbraw/zinc/34/42/87/361344287.db2.gz QLWWVEPOLMXUFO-QWHCGFSZSA-N 1 1 321.377 2.016 20 5 DEBDMO O=C(CC[N@@H+]1CCC[C@@H](CCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609848967 361344548 /nfs/dbraw/zinc/34/45/48/361344548.db2.gz VMPZQZONSIEEMT-ZDUSSCGKSA-N 1 1 321.377 2.018 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000610240078 361371460 /nfs/dbraw/zinc/37/14/60/361371460.db2.gz OCJMIRDXFURYBV-ZDUSSCGKSA-N 1 1 303.362 2.117 20 5 DEBDMO CSCCC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000281462115 216316507 /nfs/dbraw/zinc/31/65/07/216316507.db2.gz RHBMWZGQISCTNG-CYBMUJFWSA-N 1 1 314.407 2.019 20 5 DEBDMO O=C(C[N@@H+]1CCC12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610486544 361405923 /nfs/dbraw/zinc/40/59/23/361405923.db2.gz DGQPGUSGQXIQLO-UHFFFAOYSA-N 1 1 301.346 2.112 20 5 DEBDMO O=C(C[N@H+]1CCC12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610486544 361405928 /nfs/dbraw/zinc/40/59/28/361405928.db2.gz DGQPGUSGQXIQLO-UHFFFAOYSA-N 1 1 301.346 2.112 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000610677552 361443825 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ZINC000412093447 404128852 /nfs/dbraw/zinc/12/88/52/404128852.db2.gz RTTOUNUYBGPXNH-GHMZBOCLSA-N 1 1 304.350 2.064 20 5 DEBDMO CC(C)Oc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412098912 404133530 /nfs/dbraw/zinc/13/35/30/404133530.db2.gz YYJOOCDUNUKVPK-LBPRGKRZSA-N 1 1 321.377 2.158 20 5 DEBDMO CC(C)Oc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412098912 404133532 /nfs/dbraw/zinc/13/35/32/404133532.db2.gz YYJOOCDUNUKVPK-LBPRGKRZSA-N 1 1 321.377 2.158 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000412126602 404147745 /nfs/dbraw/zinc/14/77/45/404147745.db2.gz FBSCNKLNJGTCSK-SHPPOPEUSA-N 1 1 317.389 2.297 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000352219440 404223281 /nfs/dbraw/zinc/22/32/81/404223281.db2.gz CZXCGYMILDNDBL-ZDUSSCGKSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000344788403 404367866 /nfs/dbraw/zinc/36/78/66/404367866.db2.gz NKEYBZDQYAOFCO-CHWSQXEVSA-N 1 1 319.405 2.423 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000344788403 404367875 /nfs/dbraw/zinc/36/78/75/404367875.db2.gz NKEYBZDQYAOFCO-CHWSQXEVSA-N 1 1 319.405 2.423 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCOC(C)(C)C1 ZINC000370926049 404421085 /nfs/dbraw/zinc/42/10/85/404421085.db2.gz YTYINENSTWLJAM-LBPRGKRZSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCOC(C)(C)C1 ZINC000370926049 404421089 /nfs/dbraw/zinc/42/10/89/404421089.db2.gz YTYINENSTWLJAM-LBPRGKRZSA-N 1 1 321.377 2.423 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1C ZINC000356618662 404624001 /nfs/dbraw/zinc/62/40/01/404624001.db2.gz JUPSPAWOTBKBGF-NWDGAFQWSA-N 1 1 321.377 2.158 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000330571169 404690863 /nfs/dbraw/zinc/69/08/63/404690863.db2.gz DDTUIPZFKVSEHO-QWHCGFSZSA-N 1 1 305.378 2.078 20 5 DEBDMO C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000356827969 404702248 /nfs/dbraw/zinc/70/22/48/404702248.db2.gz NGSBNNPZZPWTIA-SNVBAGLBSA-N 1 1 309.366 2.007 20 5 DEBDMO Cc1ccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000414784599 404734476 /nfs/dbraw/zinc/73/44/76/404734476.db2.gz INJFRUSAAYKLAY-OAHLLOKOSA-N 1 1 319.405 2.091 20 5 DEBDMO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000415123606 404813062 /nfs/dbraw/zinc/81/30/62/404813062.db2.gz LLVNXGLTOBGGFM-RDJZCZTQSA-N 1 1 319.405 2.313 20 5 DEBDMO CNc1c(C(=O)Nc2cc[nH+]c(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000360936006 404856139 /nfs/dbraw/zinc/85/61/39/404856139.db2.gz CZJKDVQQRCMYDJ-UHFFFAOYSA-N 1 1 315.333 2.350 20 5 DEBDMO COc1ccc(OCCO[C@@H](C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000360945045 404858365 /nfs/dbraw/zinc/85/83/65/404858365.db2.gz CGCOQNNWIRRPBC-NSHDSACASA-N 1 1 321.333 2.353 20 5 DEBDMO C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000354204393 405096472 /nfs/dbraw/zinc/09/64/72/405096472.db2.gz OBARLSYHWSSWMQ-NEPJUHHUSA-N 1 1 303.362 2.214 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424336742 405071471 /nfs/dbraw/zinc/07/14/71/405071471.db2.gz QUCXAVAJFKYGGO-UKRRQHHQSA-N 1 1 320.393 2.091 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1N ZINC000424336742 405071476 /nfs/dbraw/zinc/07/14/76/405071476.db2.gz QUCXAVAJFKYGGO-UKRRQHHQSA-N 1 1 320.393 2.091 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000408102111 405112519 /nfs/dbraw/zinc/11/25/19/405112519.db2.gz ABALNKBEYQZPNO-IUCAKERBSA-N 1 1 307.379 2.128 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000408275773 405159007 /nfs/dbraw/zinc/15/90/07/405159007.db2.gz CYTWJTJPBKIMRL-VHSXEESVSA-N 1 1 310.329 2.290 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C[NH3+])C(C)(C)C ZINC000420357341 405330427 /nfs/dbraw/zinc/33/04/27/405330427.db2.gz HJWUXJZBEGJQQI-CQSZACIVSA-N 1 1 322.409 2.195 20 5 DEBDMO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000425987130 405334176 /nfs/dbraw/zinc/33/41/76/405334176.db2.gz IPVHSDOHUMDMSA-VHSXEESVSA-N 1 1 316.304 2.399 20 5 DEBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000425987130 405334177 /nfs/dbraw/zinc/33/41/77/405334177.db2.gz IPVHSDOHUMDMSA-VHSXEESVSA-N 1 1 316.304 2.399 20 5 DEBDMO Cc1c(CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000420848671 405395267 /nfs/dbraw/zinc/39/52/67/405395267.db2.gz XTOWANALBDDBLF-CQSZACIVSA-N 1 1 320.393 2.139 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420635322 405365371 /nfs/dbraw/zinc/36/53/71/405365371.db2.gz MGKCIOCBEDHHBI-ZDUSSCGKSA-N 1 1 317.349 2.175 20 5 DEBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000446069129 405368472 /nfs/dbraw/zinc/36/84/72/405368472.db2.gz UOWIWXCUFZIYTJ-AWEZNQCLSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000421710418 405605172 /nfs/dbraw/zinc/60/51/72/405605172.db2.gz KMKAFCVKAWWJJB-YPMHNXCESA-N 1 1 323.368 2.390 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000421748775 405625631 /nfs/dbraw/zinc/62/56/31/405625631.db2.gz NGYBSRUZVMCDDR-LBPRGKRZSA-N 1 1 303.362 2.178 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000421699432 405594102 /nfs/dbraw/zinc/59/41/02/405594102.db2.gz AZTAOCZPWMGIIQ-OAHLLOKOSA-N 1 1 319.405 2.425 20 5 DEBDMO C[C@H]1OCC[C@]1(C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000494265080 405670855 /nfs/dbraw/zinc/67/08/55/405670855.db2.gz MLKDXUHWNATHII-BMIGLBTASA-N 1 1 318.333 2.302 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000421764994 405635508 /nfs/dbraw/zinc/63/55/08/405635508.db2.gz XOODYROKFMSRFC-LBPRGKRZSA-N 1 1 305.378 2.424 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000457084282 405688745 /nfs/dbraw/zinc/68/87/45/405688745.db2.gz GJKBTRGHUFAJOY-CQSZACIVSA-N 1 1 323.368 2.218 20 5 DEBDMO COc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457097524 405696985 /nfs/dbraw/zinc/69/69/85/405696985.db2.gz SBDFHIUMCYARCK-LBPRGKRZSA-N 1 1 321.377 2.158 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000457134102 405716337 /nfs/dbraw/zinc/71/63/37/405716337.db2.gz VTEUYERNORNIKB-GFCCVEGCSA-N 1 1 321.377 2.158 20 5 DEBDMO C[N@@H+](CCCCNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000457162492 405729041 /nfs/dbraw/zinc/72/90/41/405729041.db2.gz GEFVCJSVGWOJJL-UHFFFAOYSA-N 1 1 309.341 2.338 20 5 DEBDMO COc1ccc(C(=O)NCCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000457192429 405745105 /nfs/dbraw/zinc/74/51/05/405745105.db2.gz YNTTWEMMHXAPSQ-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCC3CCOCC3)C2)nc1 ZINC000432777964 405807391 /nfs/dbraw/zinc/80/73/91/405807391.db2.gz CDRWDIIXUINYBF-CQSZACIVSA-N 1 1 320.393 2.293 20 5 DEBDMO COC(=O)Cc1ccc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000450432620 405894494 /nfs/dbraw/zinc/89/44/94/405894494.db2.gz BCEDJKCHRTZMPE-WCQYABFASA-N 1 1 321.377 2.205 20 5 DEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496343145 405964237 /nfs/dbraw/zinc/96/42/37/405964237.db2.gz LJLAUYAKINEEFI-QWHCGFSZSA-N 1 1 319.361 2.430 20 5 DEBDMO C[C@@H]1C[N@H+](CCNc2nccc3c2cccc3[N+](=O)[O-])CCO1 ZINC000562530365 406026942 /nfs/dbraw/zinc/02/69/42/406026942.db2.gz RUYIRBVBMRNQBS-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@@H]1C[N@@H+](CCNc2nccc3c2cccc3[N+](=O)[O-])CCO1 ZINC000562530365 406026946 /nfs/dbraw/zinc/02/69/46/406026946.db2.gz RUYIRBVBMRNQBS-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO CNC(=O)c1ccc(NCC[N@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000450951153 405998220 /nfs/dbraw/zinc/99/82/20/405998220.db2.gz OZFUFMYPHLFIDY-UHFFFAOYSA-N 1 1 320.393 2.241 20 5 DEBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000459774108 406041094 /nfs/dbraw/zinc/04/10/94/406041094.db2.gz WBZMGBGNCZAUNW-LBPRGKRZSA-N 1 1 306.341 2.493 20 5 DEBDMO Cc1cnc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000532166816 406052249 /nfs/dbraw/zinc/05/22/49/406052249.db2.gz HVCMRWPFJTUDRN-KBPBESRZSA-N 1 1 320.393 2.354 20 5 DEBDMO Cc1cnc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000532166817 406052364 /nfs/dbraw/zinc/05/23/64/406052364.db2.gz HVCMRWPFJTUDRN-KGLIPLIRSA-N 1 1 320.393 2.354 20 5 DEBDMO COC(C)(C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000533482085 406147000 /nfs/dbraw/zinc/14/70/00/406147000.db2.gz MQYHTJZDZHICPP-UHFFFAOYSA-N 1 1 309.366 2.280 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000519704081 406237603 /nfs/dbraw/zinc/23/76/03/406237603.db2.gz KEVWHUAOFSPPSZ-UHFFFAOYSA-N 1 1 307.350 2.274 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000519704081 406237607 /nfs/dbraw/zinc/23/76/07/406237607.db2.gz KEVWHUAOFSPPSZ-UHFFFAOYSA-N 1 1 307.350 2.274 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000487971399 406280166 /nfs/dbraw/zinc/28/01/66/406280166.db2.gz NGESVKGQMVQCMH-OAHLLOKOSA-N 1 1 307.394 2.375 20 5 DEBDMO C[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000569684566 406288741 /nfs/dbraw/zinc/28/87/41/406288741.db2.gz WSSSOXBXZTWFIT-IUODEOHRSA-N 1 1 305.378 2.251 20 5 DEBDMO CCCC[N@@H+](C)CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000522121990 406391986 /nfs/dbraw/zinc/39/19/86/406391986.db2.gz JMICLRWAXMCEIN-UHFFFAOYSA-N 1 1 319.365 2.387 20 5 DEBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@@H]1C ZINC000489459580 406407887 /nfs/dbraw/zinc/40/78/87/406407887.db2.gz CLUPWVIVZLBLKZ-CZUORRHYSA-N 1 1 324.377 2.099 20 5 DEBDMO CC(C)OC[C@@H](CO)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000571246544 406496473 /nfs/dbraw/zinc/49/64/73/406496473.db2.gz MGSWOXLBHZUBFS-DDJMYBDESA-N 1 1 308.378 2.326 20 5 DEBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000548453456 406517539 /nfs/dbraw/zinc/51/75/39/406517539.db2.gz AUDBMSKKKDINIK-CYBMUJFWSA-N 1 1 320.393 2.245 20 5 DEBDMO C[C@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000572830116 406745272 /nfs/dbraw/zinc/74/52/72/406745272.db2.gz HBKKJUZTFDVIOX-BFQNTYOBSA-N 1 1 317.389 2.297 20 5 DEBDMO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491794072 406723477 /nfs/dbraw/zinc/72/34/77/406723477.db2.gz JFEHZRSYKNWFRP-CDVVCGDMSA-N 1 1 315.373 2.303 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000491908840 406773685 /nfs/dbraw/zinc/77/36/85/406773685.db2.gz YBNFPLSDDGAJGA-XBWLEZLWSA-N 1 1 303.362 2.207 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000290965208 222034797 /nfs/dbraw/zinc/03/47/97/222034797.db2.gz NZBFFQPQGSTQJR-GFCCVEGCSA-N 1 1 323.393 2.454 20 5 DEBDMO Cc1ccc2c(C)cc(NCCn3cc([N+](=O)[O-])cn3)[nH+]c2c1 ZINC000359241461 424826843 /nfs/dbraw/zinc/82/68/43/424826843.db2.gz LMUXZJMCLBRHMO-UHFFFAOYSA-N 1 1 311.345 3.068 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000360970692 424841269 /nfs/dbraw/zinc/84/12/69/424841269.db2.gz SXUWUBRRLGAPSC-GFCCVEGCSA-N 1 1 315.377 2.682 20 5 DEBDMO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000344137970 424987214 /nfs/dbraw/zinc/98/72/14/424987214.db2.gz KGLQVQGJQRSWAT-VXGBXAGGSA-N 1 1 322.361 2.054 20 5 DEBDMO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000344137970 424987217 /nfs/dbraw/zinc/98/72/17/424987217.db2.gz KGLQVQGJQRSWAT-VXGBXAGGSA-N 1 1 322.361 2.054 20 5 DEBDMO C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173384671 267476329 /nfs/dbraw/zinc/47/63/29/267476329.db2.gz GOJDLAQHQCLUCH-LSDHHAIUSA-N 1 1 320.437 2.129 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429936009 269122259 /nfs/dbraw/zinc/12/22/59/269122259.db2.gz KEEFKQGBLRSJOM-ZDUSSCGKSA-N 1 1 319.405 2.473 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000430217652 269126488 /nfs/dbraw/zinc/12/64/88/269126488.db2.gz JZRWYGOGBVGJME-JTQLQIEISA-N 1 1 304.350 2.496 20 5 DEBDMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505807768 269312593 /nfs/dbraw/zinc/31/25/93/269312593.db2.gz DHAXDGJCXAMXEH-LBPRGKRZSA-N 1 1 309.341 2.082 20 5 DEBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505807768 269312594 /nfs/dbraw/zinc/31/25/94/269312594.db2.gz DHAXDGJCXAMXEH-LBPRGKRZSA-N 1 1 309.341 2.082 20 5 DEBDMO O=[N+]([O-])c1ccc2ccnc(N3CCN(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000413266253 275038745 /nfs/dbraw/zinc/03/87/45/275038745.db2.gz OEYKRJDNDXVJNI-UHFFFAOYSA-N 1 1 324.344 2.193 20 5 DEBDMO C[N@@H+]1CC[C@](O)(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417344186 277184250 /nfs/dbraw/zinc/18/42/50/277184250.db2.gz PQQAQCNOHAKLOE-SJORKVTESA-N 1 1 319.405 2.019 20 5 DEBDMO C[N@H+]1CC[C@](O)(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417344186 277184252 /nfs/dbraw/zinc/18/42/52/277184252.db2.gz PQQAQCNOHAKLOE-SJORKVTESA-N 1 1 319.405 2.019 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274013833 278313640 /nfs/dbraw/zinc/31/36/40/278313640.db2.gz OQGRZDTWRFGNPL-DGCLKSJQSA-N 1 1 318.377 2.192 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274013833 278313641 /nfs/dbraw/zinc/31/36/41/278313641.db2.gz OQGRZDTWRFGNPL-DGCLKSJQSA-N 1 1 318.377 2.192 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000357658095 278932029 /nfs/dbraw/zinc/93/20/29/278932029.db2.gz GUASEYSJGXVYFW-KBPBESRZSA-N 1 1 307.394 2.449 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345282666 279124896 /nfs/dbraw/zinc/12/48/96/279124896.db2.gz GIKFQRWZHQHGJV-BXKDBHETSA-N 1 1 311.769 2.461 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000269093385 290182105 /nfs/dbraw/zinc/18/21/05/290182105.db2.gz MBRYJTIWZBCQGC-DGCLKSJQSA-N 1 1 320.349 2.424 20 5 DEBDMO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000573862208 326099403 /nfs/dbraw/zinc/09/94/03/326099403.db2.gz ZRLBLKLSZNBMAA-SNVBAGLBSA-N 1 1 311.769 2.206 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000576779894 326318805 /nfs/dbraw/zinc/31/88/05/326318805.db2.gz DBGDUYOYLQARAW-VXGBXAGGSA-N 1 1 323.368 2.390 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000576779894 326318806 /nfs/dbraw/zinc/31/88/06/326318806.db2.gz DBGDUYOYLQARAW-VXGBXAGGSA-N 1 1 323.368 2.390 20 5 DEBDMO C[C@H]1COC(C)(C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331318254 534019445 /nfs/dbraw/zinc/01/94/45/534019445.db2.gz DLPMHAPXCBEAFK-LBPRGKRZSA-N 1 1 321.377 2.423 20 5 DEBDMO COc1cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000373918579 522397771 /nfs/dbraw/zinc/39/77/71/522397771.db2.gz RCDGZNDDWJHMHX-OAHLLOKOSA-N 1 1 310.325 2.089 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000373918579 522397776 /nfs/dbraw/zinc/39/77/76/522397776.db2.gz RCDGZNDDWJHMHX-OAHLLOKOSA-N 1 1 310.325 2.089 20 5 DEBDMO CN(Cc1cc(O)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000339193265 523181184 /nfs/dbraw/zinc/18/11/84/523181184.db2.gz DRQXOUQUHZYXMF-PBWFPOADSA-N 1 1 305.378 2.357 20 5 DEBDMO CN(Cc1cc(O)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000339193265 523181187 /nfs/dbraw/zinc/18/11/87/523181187.db2.gz DRQXOUQUHZYXMF-PBWFPOADSA-N 1 1 305.378 2.357 20 5 DEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245498171 524561948 /nfs/dbraw/zinc/56/19/48/524561948.db2.gz VNYODAOVPCMNEV-SMDDNHRTSA-N 1 1 306.366 2.399 20 5 DEBDMO CC1=CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000331705315 528122094 /nfs/dbraw/zinc/12/20/94/528122094.db2.gz XYRSSHHMGWJNBB-HNNXBMFYSA-N 1 1 301.346 2.352 20 5 DEBDMO CC1=CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000331705315 528122099 /nfs/dbraw/zinc/12/20/99/528122099.db2.gz XYRSSHHMGWJNBB-HNNXBMFYSA-N 1 1 301.346 2.352 20 5 DEBDMO CC[N@@H+](CCNC(=O)c1cccc(OC)c1[N+](=O)[O-])C(C)C ZINC000444263167 528504963 /nfs/dbraw/zinc/50/49/63/528504963.db2.gz DCXACZVARYOXFY-UHFFFAOYSA-N 1 1 309.366 2.064 20 5 DEBDMO CC1(C)CCC[N@@H+](CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000443965330 528937854 /nfs/dbraw/zinc/93/78/54/528937854.db2.gz RCAQJHWFKXWZRB-UHFFFAOYSA-N 1 1 320.393 2.228 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000346460579 535488673 /nfs/dbraw/zinc/48/86/73/535488673.db2.gz JXZDXQRQNQPFPC-CYBMUJFWSA-N 1 1 321.377 2.208 20 5 DEBDMO CO[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451567541 536745087 /nfs/dbraw/zinc/74/50/87/536745087.db2.gz MYUUDGOJTXMWPB-DOMZBBRYSA-N 1 1 321.377 2.280 20 5 DEBDMO C[N@H+](CC(=O)OCc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000120353633 622746085 /nfs/dbraw/zinc/74/60/85/622746085.db2.gz OSPBXOUCSUYRAG-ZDUSSCGKSA-N 1 1 310.375 2.075 20 5 DEBDMO C[N@@H+](CC(=O)OCc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000120353633 622746090 /nfs/dbraw/zinc/74/60/90/622746090.db2.gz OSPBXOUCSUYRAG-ZDUSSCGKSA-N 1 1 310.375 2.075 20 5 DEBDMO C[C@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)C[N@H+]1Cc1ccccc1 ZINC000892899008 625697244 /nfs/dbraw/zinc/69/72/44/625697244.db2.gz IDDREEBTFKVYBE-JSGCOSHPSA-N 1 1 315.377 2.403 20 5 DEBDMO Cc1csc(C[C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000933125467 624101136 /nfs/dbraw/zinc/10/11/36/624101136.db2.gz HIWFTPMEDIDRJT-GFCCVEGCSA-N 1 1 321.406 2.121 20 5 DEBDMO Cn1ncc([N+](=O)[O-])c1NCCC[N@@H+](C)Cc1ccccc1 ZINC000891590763 624486020 /nfs/dbraw/zinc/48/60/20/624486020.db2.gz ADHQSXISJNUWLT-UHFFFAOYSA-N 1 1 303.366 2.262 20 5 DEBDMO COc1ccc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)nc1 ZINC000934348343 624851965 /nfs/dbraw/zinc/85/19/65/624851965.db2.gz DXNUQCOGYOYQIP-CQSZACIVSA-N 1 1 317.349 2.032 20 5 DEBDMO C[C@]1(C2CC2)COCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934478940 624889855 /nfs/dbraw/zinc/88/98/55/624889855.db2.gz WMCUDZLRIHQMTC-HZPDHXFCSA-N 1 1 306.362 2.129 20 5 DEBDMO C[C@]1(C2CC2)COCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934478940 624889856 /nfs/dbraw/zinc/88/98/56/624889856.db2.gz WMCUDZLRIHQMTC-HZPDHXFCSA-N 1 1 306.362 2.129 20 5 DEBDMO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC000934560292 624920788 /nfs/dbraw/zinc/92/07/88/624920788.db2.gz JTBWROLOKCGAJY-NSHDSACASA-N 1 1 318.381 2.176 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000176736002 624937301 /nfs/dbraw/zinc/93/73/01/624937301.db2.gz XTHWTLSFDOKUEB-UHFFFAOYSA-N 1 1 309.341 2.209 20 5 DEBDMO CCOC[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000177633561 625044947 /nfs/dbraw/zinc/04/49/47/625044947.db2.gz SKPQUUKYVYJYJY-LBPRGKRZSA-N 1 1 304.350 2.260 20 5 DEBDMO C[C@]12CSC[C@H]1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000934770955 625104913 /nfs/dbraw/zinc/10/49/13/625104913.db2.gz NZDBVVBPNWYEIK-SNPRPXQTSA-N 1 1 308.403 2.313 20 5 DEBDMO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000892540103 625126588 /nfs/dbraw/zinc/12/65/88/625126588.db2.gz BRPWJUBBOARWAE-CQSZACIVSA-N 1 1 315.377 2.405 20 5 DEBDMO C[N@@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCSC1 ZINC000124957968 633450322 /nfs/dbraw/zinc/45/03/22/633450322.db2.gz ANUDYYGRRJCXRA-ZDUSSCGKSA-N 1 1 319.390 2.248 20 5 DEBDMO Cc1c(NC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000929220810 633611601 /nfs/dbraw/zinc/61/16/01/633611601.db2.gz FRDGLIXNWFCBBY-WBMJQRKESA-N 1 1 318.377 2.319 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](OC)CC2)c1[N+](=O)[O-] ZINC000893512641 634059488 /nfs/dbraw/zinc/05/94/88/634059488.db2.gz WBHTVVADSZKVGG-GFCCVEGCSA-N 1 1 310.350 2.310 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000893873516 636052497 /nfs/dbraw/zinc/05/24/97/636052497.db2.gz QKUYVZGYYICZHY-WQTVUKCASA-N 1 1 303.362 2.209 20 5 DEBDMO C[C@H]1[C@@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000893882303 636054797 /nfs/dbraw/zinc/05/47/97/636054797.db2.gz HHYABGAIMIPOSW-JSGCOSHPSA-N 1 1 315.377 2.403 20 5 DEBDMO C[C@@H]1[C@@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000893882304 636055135 /nfs/dbraw/zinc/05/51/35/636055135.db2.gz HHYABGAIMIPOSW-OCCSQVGLSA-N 1 1 315.377 2.403 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000893959116 636076400 /nfs/dbraw/zinc/07/64/00/636076400.db2.gz GIKCLXALEMBARI-LBPRGKRZSA-N 1 1 320.393 2.309 20 5 DEBDMO C[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000928248026 636806936 /nfs/dbraw/zinc/80/69/36/636806936.db2.gz HFGYSWQVXKARID-RISCZKNCSA-N 1 1 323.418 2.209 20 5 DEBDMO C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000928248025 636807254 /nfs/dbraw/zinc/80/72/54/636807254.db2.gz HFGYSWQVXKARID-BXUZGUMPSA-N 1 1 323.418 2.209 20 5 DEBDMO CC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000922909781 636849596 /nfs/dbraw/zinc/84/95/96/636849596.db2.gz VPIAVWQOCNBWAQ-DGCLKSJQSA-N 1 1 306.366 2.049 20 5 DEBDMO Cc1c(CNC(=O)NCC[N@@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000894395619 636996098 /nfs/dbraw/zinc/99/60/98/636996098.db2.gz GRQLXENAXLGDIL-LBPRGKRZSA-N 1 1 320.393 2.044 20 5 DEBDMO Cc1c(CNC(=O)NCC[N@@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000894397237 636998767 /nfs/dbraw/zinc/99/87/67/636998767.db2.gz SHFTVBVHEVYFEA-GFCCVEGCSA-N 1 1 320.393 2.187 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000923282975 637083149 /nfs/dbraw/zinc/08/31/49/637083149.db2.gz VZNCGPALUYZDKQ-GOEBONIOSA-N 1 1 317.389 2.223 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)c1[N+](=O)[O-] ZINC000894610114 637126426 /nfs/dbraw/zinc/12/64/26/637126426.db2.gz JFRMFFZRIRZQLY-CYBMUJFWSA-N 1 1 322.361 2.188 20 5 DEBDMO C[N@H+]1C[C@@]2(C)CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894796855 637212988 /nfs/dbraw/zinc/21/29/88/637212988.db2.gz FXBIDNWQJIZGIH-GASCZTMLSA-N 1 1 320.349 2.281 20 5 DEBDMO C[C@H](NC(=O)NCC[N@H+]1CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000895066290 637469023 /nfs/dbraw/zinc/46/90/23/637469023.db2.gz KQPJXORZKJCWCA-STQMWFEESA-N 1 1 320.393 2.439 20 5 DEBDMO CC(C)Oc1nc(N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)ccc1[N+](=O)[O-] ZINC000895191428 637774159 /nfs/dbraw/zinc/77/41/59/637774159.db2.gz PVUUQFYMHOKSDL-OLZOCXBDSA-N 1 1 320.393 2.450 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000895571102 638085700 /nfs/dbraw/zinc/08/57/00/638085700.db2.gz BIXAMPXJYYWNFN-OLZOCXBDSA-N 1 1 308.407 2.290 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@@H]4C[C@]4(O)C3)cs2)c1 ZINC000895649163 638125205 /nfs/dbraw/zinc/12/52/05/638125205.db2.gz OKMLFFCAUGTPNJ-NHYWBVRUSA-N 1 1 317.370 2.285 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@@H]4C[C@]4(O)C3)cs2)c1 ZINC000895649163 638125207 /nfs/dbraw/zinc/12/52/07/638125207.db2.gz OKMLFFCAUGTPNJ-NHYWBVRUSA-N 1 1 317.370 2.285 20 5 DEBDMO C[C@](CO)([NH2+]Cc1ccc(O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000895752579 638181029 /nfs/dbraw/zinc/18/10/29/638181029.db2.gz JZHSFCACNFRUJD-MRXNPFEDSA-N 1 1 320.320 2.437 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000895817417 638213405 /nfs/dbraw/zinc/21/34/05/638213405.db2.gz JEMQBGGNMKXOIS-CYBMUJFWSA-N 1 1 305.378 2.283 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000895873941 638239800 /nfs/dbraw/zinc/23/98/00/638239800.db2.gz CMJNCIPTYPCFIS-GFCCVEGCSA-N 1 1 303.362 2.178 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)c1[N+](=O)[O-] ZINC000895922649 638268075 /nfs/dbraw/zinc/26/80/75/638268075.db2.gz KXGYYRHHIMQGKU-GFCCVEGCSA-N 1 1 324.377 2.292 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC(C)(C)CC[C@@H]2CO)c1[N+](=O)[O-] ZINC000895922649 638268077 /nfs/dbraw/zinc/26/80/77/638268077.db2.gz KXGYYRHHIMQGKU-GFCCVEGCSA-N 1 1 324.377 2.292 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000896384207 638496199 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306.362 2.129 20 5 DEBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839635911 639777389 /nfs/dbraw/zinc/77/73/89/639777389.db2.gz LWXDLVIRFXILEJ-JTQLQIEISA-N 1 1 311.769 2.158 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000758413316 639957772 /nfs/dbraw/zinc/95/77/72/639957772.db2.gz FEFIWOLTNQNBPK-CHWSQXEVSA-N 1 1 321.352 2.399 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000758508845 639967260 /nfs/dbraw/zinc/96/72/60/639967260.db2.gz UDQNXCDBBLOYNY-ZYHUDNBSSA-N 1 1 309.341 2.255 20 5 DEBDMO C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000761067552 640261373 /nfs/dbraw/zinc/26/13/73/640261373.db2.gz FSVMPCKAVQJAHM-GFCCVEGCSA-N 1 1 316.361 2.386 20 5 DEBDMO Cc1[nH+]ccn1CCOC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000763403889 640538939 /nfs/dbraw/zinc/53/89/39/640538939.db2.gz GWSROOVJAIQXFX-LLVKDONJSA-N 1 1 303.318 2.447 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000929118909 640770987 /nfs/dbraw/zinc/77/09/87/640770987.db2.gz WGVPJZUBLOGDLP-SMDDNHRTSA-N 1 1 304.350 2.071 20 5 DEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000765859036 640824413 /nfs/dbraw/zinc/82/44/13/640824413.db2.gz LKPDYNAKFCXQSV-ZFWWWQNUSA-N 1 1 319.405 2.326 20 5 DEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000765859036 640824414 /nfs/dbraw/zinc/82/44/14/640824414.db2.gz LKPDYNAKFCXQSV-ZFWWWQNUSA-N 1 1 319.405 2.326 20 5 DEBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000767624073 641002595 /nfs/dbraw/zinc/00/25/95/641002595.db2.gz QBNZWCWVTDKRSQ-UHFFFAOYSA-N 1 1 307.281 2.486 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000898038061 641008671 /nfs/dbraw/zinc/00/86/71/641008671.db2.gz DYSYFHKPFBUOQE-GFCCVEGCSA-N 1 1 323.368 2.267 20 5 DEBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H]1CO ZINC000769084107 641171428 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308.378 2.375 20 5 DEBDMO Cc1nn(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000779866053 642552248 /nfs/dbraw/zinc/55/22/48/642552248.db2.gz SAFZIIPAXBLHHO-UHFFFAOYSA-N 1 1 309.414 2.109 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000901516520 642698126 /nfs/dbraw/zinc/69/81/26/642698126.db2.gz JGACXLFDHOCZEK-ZDUSSCGKSA-N 1 1 307.350 2.415 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000901516520 642698129 /nfs/dbraw/zinc/69/81/29/642698129.db2.gz JGACXLFDHOCZEK-ZDUSSCGKSA-N 1 1 307.350 2.415 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000782296201 642855627 /nfs/dbraw/zinc/85/56/27/642855627.db2.gz KKOPNKFCWARRQW-UHFFFAOYSA-N 1 1 302.334 2.014 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000782296201 642855629 /nfs/dbraw/zinc/85/56/29/642855629.db2.gz KKOPNKFCWARRQW-UHFFFAOYSA-N 1 1 302.334 2.014 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCc3ncsc3C2)cc1 ZINC000782635087 642910312 /nfs/dbraw/zinc/91/03/12/642910312.db2.gz WKQUCYCEEBWTBG-CYBMUJFWSA-N 1 1 305.359 2.143 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCc3ncsc3C2)cc1 ZINC000782635087 642910315 /nfs/dbraw/zinc/91/03/15/642910315.db2.gz WKQUCYCEEBWTBG-CYBMUJFWSA-N 1 1 305.359 2.143 20 5 DEBDMO COc1cc(CN2CC[C@@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000904411236 643662060 /nfs/dbraw/zinc/66/20/60/643662060.db2.gz KFYTXYHGWZXHRH-RYUDHWBXSA-N 1 1 323.393 2.029 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000788978004 643667613 /nfs/dbraw/zinc/66/76/13/643667613.db2.gz KPGLPEQDSJDPFD-NSHDSACASA-N 1 1 308.256 2.006 20 5 DEBDMO Cc1nn(C[N@@H+]2CCSCC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000790479789 643858401 /nfs/dbraw/zinc/85/84/01/643858401.db2.gz HHCCHCVYBOWRQU-SNVBAGLBSA-N 1 1 321.406 2.433 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000794587299 644440469 /nfs/dbraw/zinc/44/04/69/644440469.db2.gz XRJXLSYMALTUTQ-GJZGRUSLSA-N 1 1 302.334 2.188 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000794587299 644440471 /nfs/dbraw/zinc/44/04/71/644440471.db2.gz XRJXLSYMALTUTQ-GJZGRUSLSA-N 1 1 302.334 2.188 20 5 DEBDMO CCOC1CC2(C1)CC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C2 ZINC000795719385 644624844 /nfs/dbraw/zinc/62/48/44/644624844.db2.gz CYWUUXLWHBHSPO-UHFFFAOYSA-N 1 1 308.382 2.257 20 5 DEBDMO CCOC1CC2(C1)CC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C2 ZINC000795719385 644624849 /nfs/dbraw/zinc/62/48/49/644624849.db2.gz CYWUUXLWHBHSPO-UHFFFAOYSA-N 1 1 308.382 2.257 20 5 DEBDMO CO[C@H](C)C[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000795750702 644629948 /nfs/dbraw/zinc/62/99/48/644629948.db2.gz MHTCPVBCUKQJCM-GFCCVEGCSA-N 1 1 304.350 2.383 20 5 DEBDMO CO[C@H](C)C[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000795750702 644629951 /nfs/dbraw/zinc/62/99/51/644629951.db2.gz MHTCPVBCUKQJCM-GFCCVEGCSA-N 1 1 304.350 2.383 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000797520247 644890819 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CC1(C)CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840014831 645683446 /nfs/dbraw/zinc/68/34/46/645683446.db2.gz KPMYMFBICRMFAA-OAHLLOKOSA-N 1 1 319.361 2.221 20 5 DEBDMO C[C@H]1CN(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C(=O)[C@@H]1C ZINC000840065355 645852734 /nfs/dbraw/zinc/85/27/34/645852734.db2.gz OZXYKMPYYZSTCT-QWHCGFSZSA-N 1 1 305.378 2.141 20 5 DEBDMO C[C@H]1CN(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C(=O)[C@@H]1C ZINC000840065355 645852737 /nfs/dbraw/zinc/85/27/37/645852737.db2.gz OZXYKMPYYZSTCT-QWHCGFSZSA-N 1 1 305.378 2.141 20 5 DEBDMO C[N@H+]1CC[C@@H](C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000912652634 646130659 /nfs/dbraw/zinc/13/06/59/646130659.db2.gz KIRNUKLXPOULNU-CYBMUJFWSA-N 1 1 303.362 2.216 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000168633006 646593473 /nfs/dbraw/zinc/59/34/73/646593473.db2.gz XAQKAMAQPJZZQR-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000168633006 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JQFMSMSZDSQHKF-PBHICJAKSA-N 1 1 321.421 2.338 20 5 DEBDMO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000820688481 647896423 /nfs/dbraw/zinc/89/64/23/647896423.db2.gz SMTQDAAYNGZBDY-VZAMPYOESA-N 1 1 317.389 2.249 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[N@H+]4CCC[C@@H]4CO3)n2)cc1 ZINC000923757078 648026779 /nfs/dbraw/zinc/02/67/79/648026779.db2.gz CNIOPVMACITMOJ-CHWSQXEVSA-N 1 1 316.317 2.181 20 5 DEBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825130460 648708038 /nfs/dbraw/zinc/70/80/38/648708038.db2.gz YKMYYMUHRKDRDX-GWCFXTLKSA-N 1 1 314.769 2.220 20 5 DEBDMO COC[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000825158287 648713985 /nfs/dbraw/zinc/71/39/85/648713985.db2.gz ISKIRHUAMNYUTG-CQSZACIVSA-N 1 1 314.769 2.079 20 5 DEBDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000825158287 648713986 /nfs/dbraw/zinc/71/39/86/648713986.db2.gz ISKIRHUAMNYUTG-CQSZACIVSA-N 1 1 314.769 2.079 20 5 DEBDMO COC[C@]1(CO)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000825158555 648714019 /nfs/dbraw/zinc/71/40/19/648714019.db2.gz PVHOHMJFROLJOH-CQSZACIVSA-N 1 1 314.769 2.079 20 5 DEBDMO COC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000825158555 648714020 /nfs/dbraw/zinc/71/40/20/648714020.db2.gz PVHOHMJFROLJOH-CQSZACIVSA-N 1 1 314.769 2.079 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000825625644 648789454 /nfs/dbraw/zinc/78/94/54/648789454.db2.gz OGDFMOYHOAPMBB-AWEZNQCLSA-N 1 1 323.368 2.267 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826721449 648915195 /nfs/dbraw/zinc/91/51/95/648915195.db2.gz GHIVFFZYIUVOGF-JTQLQIEISA-N 1 1 311.769 2.320 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827367039 649024150 /nfs/dbraw/zinc/02/41/50/649024150.db2.gz PZYJAZKLQUGXNX-ZIAGYGMSSA-N 1 1 303.362 2.069 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000830813111 649499682 /nfs/dbraw/zinc/49/96/82/649499682.db2.gz YXHAWKGJVNNNRD-PEYYIBSZSA-N 1 1 324.352 2.096 20 5 DEBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC(F)(F)C[NH3+] ZINC000846666100 651344141 /nfs/dbraw/zinc/34/41/41/651344141.db2.gz DGKGAMICUITEIY-UHFFFAOYSA-N 1 1 321.711 2.191 20 5 DEBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000846839999 651356110 /nfs/dbraw/zinc/35/61/10/651356110.db2.gz WNWPXKPGQTXPSM-GFCCVEGCSA-N 1 1 304.325 2.457 20 5 DEBDMO CN1C[C@@H]([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])CCC1=O ZINC000846920754 651362124 /nfs/dbraw/zinc/36/21/24/651362124.db2.gz KBTRLIZSDZLEQD-LBPRGKRZSA-N 1 1 311.769 2.301 20 5 DEBDMO CN1C[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])CCC1=O ZINC000846920754 651362126 /nfs/dbraw/zinc/36/21/26/651362126.db2.gz KBTRLIZSDZLEQD-LBPRGKRZSA-N 1 1 311.769 2.301 20 5 DEBDMO CC[C@H]1CC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848489921 651463262 /nfs/dbraw/zinc/46/32/62/651463262.db2.gz KRTIRPDTGFKIHB-DZGCQCFKSA-N 1 1 303.362 2.353 20 5 DEBDMO CC[C@H]1CC[N@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848489921 651463264 /nfs/dbraw/zinc/46/32/64/651463264.db2.gz KRTIRPDTGFKIHB-DZGCQCFKSA-N 1 1 303.362 2.353 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(C)OCCCO1 ZINC000850464312 651934737 /nfs/dbraw/zinc/93/47/37/651934737.db2.gz DTEMKODZSFFUEP-LLVKDONJSA-N 1 1 310.350 2.407 20 5 DEBDMO CC1(C)CC[C@H](CO)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000856805108 651989226 /nfs/dbraw/zinc/98/92/26/651989226.db2.gz KLKCWDFOPIFSPE-CYBMUJFWSA-N 1 1 323.349 2.486 20 5 DEBDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000856805108 651989229 /nfs/dbraw/zinc/98/92/29/651989229.db2.gz KLKCWDFOPIFSPE-CYBMUJFWSA-N 1 1 323.349 2.486 20 5 DEBDMO Cc1noc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000851907739 652277125 /nfs/dbraw/zinc/27/71/25/652277125.db2.gz KGVNEKHRQJXRBI-OAHLLOKOSA-N 1 1 321.308 2.124 20 5 DEBDMO Cc1noc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000851907739 652277128 /nfs/dbraw/zinc/27/71/28/652277128.db2.gz KGVNEKHRQJXRBI-OAHLLOKOSA-N 1 1 321.308 2.124 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccccn1 ZINC000852037782 652320599 /nfs/dbraw/zinc/32/05/99/652320599.db2.gz ABTLYCMWQGYNGL-INIZCTEOSA-N 1 1 301.346 2.198 20 5 DEBDMO C[C@@H]1COC2(CCC2)C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852441509 652402224 /nfs/dbraw/zinc/40/22/24/652402224.db2.gz BCZNQYKPVKOJFG-IUODEOHRSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@@H]1COC2(CCC2)C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852441509 652402225 /nfs/dbraw/zinc/40/22/25/652402225.db2.gz BCZNQYKPVKOJFG-IUODEOHRSA-N 1 1 306.362 2.272 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000853591887 652575176 /nfs/dbraw/zinc/57/51/76/652575176.db2.gz YHOOFECJBMPNAG-STQMWFEESA-N 1 1 316.361 2.179 20 5 DEBDMO Cc1noc(COC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000853898266 652618841 /nfs/dbraw/zinc/61/88/41/652618841.db2.gz AFLMGUUJVFMNCD-WCABBAIRSA-N 1 1 311.338 2.196 20 5 DEBDMO Cc1noc(COC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000853898266 652618843 /nfs/dbraw/zinc/61/88/43/652618843.db2.gz AFLMGUUJVFMNCD-WCABBAIRSA-N 1 1 311.338 2.196 20 5 DEBDMO Cc1noc(COC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000853917645 652621118 /nfs/dbraw/zinc/62/11/18/652621118.db2.gz SSTCIKYUUQPNGJ-NSHDSACASA-N 1 1 311.338 2.199 20 5 DEBDMO C[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928246560 693747458 /nfs/dbraw/zinc/74/74/58/693747458.db2.gz AZXLOHRWPHHZFM-NEPJUHHUSA-N 1 1 323.418 2.209 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)c1F ZINC000928432733 693777650 /nfs/dbraw/zinc/77/76/50/693777650.db2.gz KBLUFRVTLFOZHI-DTWKUNHWSA-N 1 1 313.304 2.004 20 5 DEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928441649 693780093 /nfs/dbraw/zinc/78/00/93/693780093.db2.gz SULFRRKYJLXTNY-XPKDYRNWSA-N 1 1 319.405 2.372 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC3(C2)OCCO3)cc1 ZINC000090561501 684031970 /nfs/dbraw/zinc/03/19/70/684031970.db2.gz IGWYWWLADNJJBZ-UHFFFAOYSA-N 1 1 322.361 2.203 20 5 DEBDMO CC(C)OC[C@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000097038982 684055030 /nfs/dbraw/zinc/05/50/30/684055030.db2.gz WUWNYXOBKWQPRJ-CYBMUJFWSA-N 1 1 316.785 2.466 20 5 DEBDMO CC(C)OC[C@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000097038982 684055034 /nfs/dbraw/zinc/05/50/34/684055034.db2.gz WUWNYXOBKWQPRJ-CYBMUJFWSA-N 1 1 316.785 2.466 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000160416500 684327406 /nfs/dbraw/zinc/32/74/06/684327406.db2.gz VVJNIANVOAYCDA-JTQLQIEISA-N 1 1 311.769 2.320 20 5 DEBDMO CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1CCC[N@@H+](C)C1 ZINC000160424914 684327776 /nfs/dbraw/zinc/32/77/76/684327776.db2.gz MJGBQDBNPHWORL-JTQLQIEISA-N 1 1 311.769 2.414 20 5 DEBDMO COc1cccc(C[N@@H+](CC[N+](=O)[O-])C2CCC(O)CC2)c1 ZINC000929672406 694001528 /nfs/dbraw/zinc/00/15/28/694001528.db2.gz CEKIAOPYTMRMNG-UHFFFAOYSA-N 1 1 308.378 2.077 20 5 DEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000863032126 686423222 /nfs/dbraw/zinc/42/32/22/686423222.db2.gz DVWBOSFWDUGNEO-CYBMUJFWSA-N 1 1 321.352 2.481 20 5 DEBDMO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[NH+](C1CC1)C1CC1 ZINC000863302948 686472422 /nfs/dbraw/zinc/47/24/22/686472422.db2.gz PDKSZOIYQHLIOR-MRXNPFEDSA-N 1 1 315.373 2.495 20 5 DEBDMO CC[NH2+][C@@H](C)c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000863669855 686546834 /nfs/dbraw/zinc/54/68/34/686546834.db2.gz FBAPPGPHMLTQHY-VIFPVBQESA-N 1 1 306.322 2.248 20 5 DEBDMO C[N@H+]1CC[C@](O)(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC000865678742 687299568 /nfs/dbraw/zinc/29/95/68/687299568.db2.gz FBRSJENJEMWYJO-LBPRGKRZSA-N 1 1 320.176 2.380 20 5 DEBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c(C(F)F)c1 ZINC000865973344 687396859 /nfs/dbraw/zinc/39/68/59/687396859.db2.gz XOGCKKSVVWBWRL-SNVBAGLBSA-N 1 1 301.293 2.011 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3[C@@H]4OC[C@@H]5C[C@H]3C[C@@H]54)c2c1 ZINC000866046402 687421521 /nfs/dbraw/zinc/42/15/21/687421521.db2.gz YAVZCVLKZMXDHJ-CPTIBSQESA-N 1 1 311.341 2.400 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000866153356 687468151 /nfs/dbraw/zinc/46/81/51/687468151.db2.gz OIJMNYVSTRSMBU-FZMZJTMJSA-N 1 1 304.350 2.153 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000866206940 687491370 /nfs/dbraw/zinc/49/13/70/687491370.db2.gz GUOQGMGOEZVIJH-IINYFYTJSA-N 1 1 301.350 2.002 20 5 DEBDMO CC(=O)c1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866206167 687491783 /nfs/dbraw/zinc/49/17/83/687491783.db2.gz BWPAWBAAYCENOT-DOMZBBRYSA-N 1 1 303.362 2.328 20 5 DEBDMO CC(=O)c1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866206168 687491800 /nfs/dbraw/zinc/49/18/00/687491800.db2.gz BWPAWBAAYCENOT-IUODEOHRSA-N 1 1 303.362 2.328 20 5 DEBDMO Cc1cc(N2CCC(N3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000866213566 687494529 /nfs/dbraw/zinc/49/45/29/687494529.db2.gz SMAZONZVFJTFHH-UHFFFAOYSA-N 1 1 324.450 2.181 20 5 DEBDMO CCn1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C[C@@H]2CCCC[N@H+]2C)n1 ZINC000870784136 688651891 /nfs/dbraw/zinc/65/18/91/688651891.db2.gz FRCPHGNAYFCDCA-NEPJUHHUSA-N 1 1 324.381 2.231 20 5 DEBDMO CN(CC1CCCC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870875577 688675078 /nfs/dbraw/zinc/67/50/78/688675078.db2.gz QUTHCENXDALRFF-INIZCTEOSA-N 1 1 305.378 2.417 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000872019583 688914293 /nfs/dbraw/zinc/91/42/93/688914293.db2.gz WZRVOCGTLXIAMD-JTQLQIEISA-N 1 1 311.407 2.492 20 5 DEBDMO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043922 688918605 /nfs/dbraw/zinc/91/86/05/688918605.db2.gz ODSAPLPZWCLAGO-UWVGGRQHSA-N 1 1 318.370 2.208 20 5 DEBDMO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047205 688919119 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ZINC001169041597 785014776 /nfs/dbraw/zinc/01/47/76/785014776.db2.gz BJVGBAJKOGASEJ-PWSUYJOCSA-N 1 1 308.407 2.002 20 5 DEBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169041745 785014811 /nfs/dbraw/zinc/01/48/11/785014811.db2.gz CIROMEPGZCBQBR-JGGQBBKZSA-N 1 1 318.373 2.204 20 5 DEBDMO Cc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169054503 785024422 /nfs/dbraw/zinc/02/44/22/785024422.db2.gz MHOGQYWONXFECT-RBSFLKMASA-N 1 1 305.378 2.289 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170329866 786911421 /nfs/dbraw/zinc/91/14/21/786911421.db2.gz WFMJPQLVFMNIOP-MKBNYLNASA-N 1 1 308.378 2.237 20 5 DEBDMO COc1ccc(C[C@H](C)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170351071 786931224 /nfs/dbraw/zinc/93/12/24/786931224.db2.gz FCCRHVJLEVKJCX-RVSPLBMKSA-N 1 1 319.405 2.170 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170351071 786931230 /nfs/dbraw/zinc/93/12/30/786931230.db2.gz FCCRHVJLEVKJCX-RVSPLBMKSA-N 1 1 319.405 2.170 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170351071 786931237 /nfs/dbraw/zinc/93/12/37/786931237.db2.gz FCCRHVJLEVKJCX-RVSPLBMKSA-N 1 1 319.405 2.170 20 5 DEBDMO O=C(C1CC1)N1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001072375497 790127152 /nfs/dbraw/zinc/12/71/52/790127152.db2.gz BQPBZKPWFAPIJM-UHFFFAOYSA-N 1 1 315.373 2.039 20 5 DEBDMO O=C(C1CC1)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001072376772 790127235 /nfs/dbraw/zinc/12/72/35/790127235.db2.gz ZDKMYYNCNHLIRQ-UHFFFAOYSA-N 1 1 315.373 2.039 20 5 DEBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001093953337 792658825 /nfs/dbraw/zinc/65/88/25/792658825.db2.gz YFGFZVITLLRPJG-UHFFFAOYSA-N 1 1 322.409 2.162 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@@H](O)[C@@H](F)C1)CC2 ZINC001172906323 793524127 /nfs/dbraw/zinc/52/41/27/793524127.db2.gz XEHPZXIJNMOXTJ-CWRNSKLLSA-N 1 1 308.353 2.247 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H](CO)C[C@H](F)C1)CC2 ZINC001172908879 793525315 /nfs/dbraw/zinc/52/53/15/793525315.db2.gz PBYJIYGIJOFNBH-UHOFOFEASA-N 1 1 322.380 2.495 20 5 DEBDMO C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172918854 793532425 /nfs/dbraw/zinc/53/24/25/793532425.db2.gz CRRWVNIKPIDKQK-IXDOHACOSA-N 1 1 315.417 2.336 20 5 DEBDMO CN1C[C@@H]2C[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172918854 793532441 /nfs/dbraw/zinc/53/24/41/793532441.db2.gz CRRWVNIKPIDKQK-IXDOHACOSA-N 1 1 315.417 2.336 20 5 DEBDMO CN1C[C@@H]2C[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172918854 793532445 /nfs/dbraw/zinc/53/24/45/793532445.db2.gz CRRWVNIKPIDKQK-IXDOHACOSA-N 1 1 315.417 2.336 20 5 DEBDMO CN(C)C(=O)CC[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922148 793533446 /nfs/dbraw/zinc/53/34/46/793533446.db2.gz WHXMSOVSBXPBAI-OAHLLOKOSA-N 1 1 319.405 2.252 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2nonc2C)c1F ZINC001173176705 793619004 /nfs/dbraw/zinc/61/90/04/793619004.db2.gz LSWYVXXAIPBMOR-MRVPVSSYSA-N 1 1 324.312 2.155 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccon2)c1F ZINC001173177614 793619346 /nfs/dbraw/zinc/61/93/46/793619346.db2.gz VZVUSHKRRZJRRB-SECBINFHSA-N 1 1 309.297 2.451 20 5 DEBDMO CC(=O)N1CCC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173228935 793644952 /nfs/dbraw/zinc/64/49/52/793644952.db2.gz NWOOXSYPVIGHFI-ZDUSSCGKSA-N 1 1 305.378 2.080 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC2(CCOCC2)C1 ZINC001173231844 793645040 /nfs/dbraw/zinc/64/50/40/793645040.db2.gz DGXRBMZXDLEECG-AWEZNQCLSA-N 1 1 320.389 2.407 20 5 DEBDMO Cn1cc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)nn1 ZINC001176880726 794520214 /nfs/dbraw/zinc/52/02/14/794520214.db2.gz YVZAOWHZTSGRPA-LLVKDONJSA-N 1 1 319.340 2.242 20 5 DEBDMO Cn1cc([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)nn1 ZINC001176880726 794520217 /nfs/dbraw/zinc/52/02/17/794520217.db2.gz YVZAOWHZTSGRPA-LLVKDONJSA-N 1 1 319.340 2.242 20 5 DEBDMO CN(CC[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001177027031 794559849 /nfs/dbraw/zinc/55/98/49/794559849.db2.gz BEGIUNVDPPGWFU-ZDUSSCGKSA-N 1 1 315.414 2.375 20 5 DEBDMO C[C@@H](C(=O)NCc1c[nH+]c2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC001177740123 794738621 /nfs/dbraw/zinc/73/86/21/794738621.db2.gz BGKQBRREOJODCA-LLVKDONJSA-N 1 1 314.345 2.157 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001181838905 795548217 /nfs/dbraw/zinc/54/82/17/795548217.db2.gz HVDJEMDPKZPLLG-SNVBAGLBSA-N 1 1 311.769 2.414 20 5 DEBDMO Cc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC001123263565 795882613 /nfs/dbraw/zinc/88/26/13/795882613.db2.gz JEHUQQBPKNZISU-IACUBPJLSA-N 1 1 318.377 2.365 20 5 DEBDMO Cc1cc(F)cc(C(=O)NCc2c[nH+]c3n2CCC3)c1[N+](=O)[O-] ZINC001154937033 797643084 /nfs/dbraw/zinc/64/30/84/797643084.db2.gz BVVBTMHNFURZRB-UHFFFAOYSA-N 1 1 318.308 2.115 20 5 DEBDMO O=[N+]([O-])c1cccc(N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)n1 ZINC001155090620 797679024 /nfs/dbraw/zinc/67/90/24/797679024.db2.gz GVWHZJCNJYNXCN-OAHLLOKOSA-N 1 1 310.357 2.409 20 5 DEBDMO O=[N+]([O-])c1cccc(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)n1 ZINC001155090620 797679028 /nfs/dbraw/zinc/67/90/28/797679028.db2.gz GVWHZJCNJYNXCN-OAHLLOKOSA-N 1 1 310.357 2.409 20 5 DEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccnc3c2ccc2cccnc23)C1 ZINC001155819817 797856182 /nfs/dbraw/zinc/85/61/82/797856182.db2.gz FJLMQOVYLZQMOW-ZDUSSCGKSA-N 1 1 320.396 2.465 20 5 DEBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001157010161 798127318 /nfs/dbraw/zinc/12/73/18/798127318.db2.gz PKNNVKPJGFXGRR-ZDUSSCGKSA-N 1 1 315.377 2.457 20 5 DEBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@H+]3CC[C@H]3C2)c1 ZINC001158430973 798406624 /nfs/dbraw/zinc/40/66/24/798406624.db2.gz MQCZOLASXXIRSQ-VIFPVBQESA-N 1 1 319.752 2.086 20 5 DEBDMO C[C@H](Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)c1cnccn1 ZINC001158601495 798435848 /nfs/dbraw/zinc/43/58/48/798435848.db2.gz UAZFQELEWFWEQD-ZPMKCOPCSA-N 1 1 314.349 2.485 20 5 DEBDMO C[NH+]1CC2(CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001158863860 798480992 /nfs/dbraw/zinc/48/09/92/798480992.db2.gz JTCFQVPBMSIOKB-UHFFFAOYSA-N 1 1 303.149 2.048 20 5 DEBDMO Nc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001161186967 798807792 /nfs/dbraw/zinc/80/77/92/798807792.db2.gz HURVFZLROGURDT-LBPRGKRZSA-N 1 1 305.382 2.248 20 5 DEBDMO CC[N@H+]1CCCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001163771108 799428294 /nfs/dbraw/zinc/42/82/94/799428294.db2.gz FKFVXZKOPNYQAS-UHFFFAOYSA-N 1 1 320.180 2.224 20 5 DEBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CCOCCF ZINC001203254901 800024910 /nfs/dbraw/zinc/02/49/10/800024910.db2.gz OSWKGMQYKLXVPY-UHFFFAOYSA-N 1 1 321.146 2.433 20 5 DEBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933251949 800051688 /nfs/dbraw/zinc/05/16/88/800051688.db2.gz NCMRKURXGCVADH-IRXDYDNUSA-N 1 1 321.421 2.290 20 5 DEBDMO CC(C)C[C@H]1CN(C)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933251949 800051696 /nfs/dbraw/zinc/05/16/96/800051696.db2.gz NCMRKURXGCVADH-IRXDYDNUSA-N 1 1 321.421 2.290 20 5 DEBDMO CC(C)C[C@H]1CN(C)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933251949 800051704 /nfs/dbraw/zinc/05/17/04/800051704.db2.gz NCMRKURXGCVADH-IRXDYDNUSA-N 1 1 321.421 2.290 20 5 DEBDMO CO[C@H]1CC[C@H]1[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934114101 800264000 /nfs/dbraw/zinc/26/40/00/800264000.db2.gz QMPPFEKFEOHUFY-KGLIPLIRSA-N 1 1 307.350 2.033 20 5 DEBDMO C[N@H+]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000935174023 800584503 /nfs/dbraw/zinc/58/45/03/800584503.db2.gz XCVKSMQBJXMYNV-GJZGRUSLSA-N 1 1 317.389 2.251 20 5 DEBDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000935804743 800775068 /nfs/dbraw/zinc/77/50/68/800775068.db2.gz DWNRCLJCYRJNGF-HUUCEWRRSA-N 1 1 317.389 2.251 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@H]1CCc2[nH+]ccn2C1 ZINC001229403832 801270540 /nfs/dbraw/zinc/27/05/40/801270540.db2.gz RMJDNVZOQQOKSO-NSHDSACASA-N 1 1 311.301 2.128 20 5 DEBDMO CNC(=O)CC[N@@H+](C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232221169 801819368 /nfs/dbraw/zinc/81/93/68/801819368.db2.gz GIQWNQCJOWDYFC-UHFFFAOYSA-N 1 1 308.385 2.351 20 5 DEBDMO Cc1cc(F)c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)cc1[N+](=O)[O-] ZINC001234061505 802285321 /nfs/dbraw/zinc/28/53/21/802285321.db2.gz VBPNTAHQVNRCEN-RJIBLYRGSA-N 1 1 308.309 2.225 20 5 DEBDMO Cc1cc(F)c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)cc1[N+](=O)[O-] ZINC001234061505 802285328 /nfs/dbraw/zinc/28/53/28/802285328.db2.gz VBPNTAHQVNRCEN-RJIBLYRGSA-N 1 1 308.309 2.225 20 5 DEBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CCC[N@@H+](C)CC1 ZINC001222774857 802738881 /nfs/dbraw/zinc/73/88/81/802738881.db2.gz VEUXULFPVOATFZ-LBPRGKRZSA-N 1 1 322.361 2.382 20 5 DEBDMO COc1ccc(CO[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001223519190 802797527 /nfs/dbraw/zinc/79/75/27/802797527.db2.gz WZQGKPFTRZJCRZ-CYBMUJFWSA-N 1 1 303.318 2.332 20 5 DEBDMO COC(=O)[C@@H](O[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001223643888 802805211 /nfs/dbraw/zinc/80/52/11/802805211.db2.gz QLQHFGJBCZSNCW-DOMZBBRYSA-N 1 1 322.361 2.308 20 5 DEBDMO COC(=O)[C@@H](OC1C[NH+](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001223644782 802805241 /nfs/dbraw/zinc/80/52/41/802805241.db2.gz XMGDSCYEGJIKSI-AWEZNQCLSA-N 1 1 322.361 2.308 20 5 DEBDMO Cc1cccc(CO[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c1[N+](=O)[O-] ZINC001223661470 802806998 /nfs/dbraw/zinc/80/69/98/802806998.db2.gz QMOBFNWTMXOLTG-NWANDNLSSA-N 1 1 304.346 2.224 20 5 DEBDMO COc1cccc(CO[C@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001223812889 802817081 /nfs/dbraw/zinc/81/70/81/802817081.db2.gz RLIYVFDFOBLHNB-LBPRGKRZSA-N 1 1 303.318 2.332 20 5 DEBDMO CC[N@@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC001226340532 803093788 /nfs/dbraw/zinc/09/37/88/803093788.db2.gz ZRYGTLIDNRLLQE-SECBINFHSA-N 1 1 316.155 2.225 20 5 DEBDMO CC[N@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC001226340532 803093795 /nfs/dbraw/zinc/09/37/95/803093795.db2.gz ZRYGTLIDNRLLQE-SECBINFHSA-N 1 1 316.155 2.225 20 5 DEBDMO O=[N+]([O-])c1cccc2oc(O[C@H]3CCc4[nH+]ccn4C3)nc21 ZINC001227235536 803219223 /nfs/dbraw/zinc/21/92/23/803219223.db2.gz FKUXIRRZORZVAR-VIFPVBQESA-N 1 1 300.274 2.326 20 5 DEBDMO COC(=O)c1cccc(O[C@H]2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC001227895000 803292291 /nfs/dbraw/zinc/29/22/91/803292291.db2.gz STYYYQLCRAPBRJ-NSHDSACASA-N 1 1 308.334 2.245 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228137449 803324503 /nfs/dbraw/zinc/32/45/03/803324503.db2.gz DIPQAAOSJBWOJT-GFCCVEGCSA-N 1 1 317.345 2.243 20 5 DEBDMO Cc1nc(NC[C@H]2CC[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001330690907 1149258590 /nfs/dbraw/zinc/25/85/90/1149258590.db2.gz YMMPJCJDPGWHQJ-CQSZACIVSA-N 1 1 313.361 2.380 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335439442 1150415850 /nfs/dbraw/zinc/41/58/50/1150415850.db2.gz DDGSQTVJVYINGT-CJNGLKHVSA-N 1 1 321.421 2.338 20 5 DEBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC2(CCC2)C1 ZINC001607077732 1071288321 /nfs/dbraw/zinc/28/83/21/1071288321.db2.gz QQXYTFMGJSJLTF-UHFFFAOYSA-N 1 1 314.349 2.151 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CC2CCC1CC2 ZINC001607084173 1071292526 /nfs/dbraw/zinc/29/25/26/1071292526.db2.gz UGRBCLQFLGAIQK-UHFFFAOYSA-N 1 1 314.349 2.149 20 5 DEBDMO CC(C)(NC(=O)CC[N@H+]1CC[C@H](F)C1)c1ccccc1[N+](=O)[O-] ZINC001468485028 1059799711 /nfs/dbraw/zinc/79/97/11/1059799711.db2.gz IXPDUTVXSCWCDJ-LBPRGKRZSA-N 1 1 323.368 2.380 20 5 DEBDMO C[C@@H]1[C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)N1C ZINC001473586603 1060699317 /nfs/dbraw/zinc/69/93/17/1060699317.db2.gz SWADCJJDMWLIES-AGIUHOORSA-N 1 1 305.378 2.077 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)N1C ZINC001473586603 1060699325 /nfs/dbraw/zinc/69/93/25/1060699325.db2.gz SWADCJJDMWLIES-AGIUHOORSA-N 1 1 305.378 2.077 20 5 DEBDMO C[C@H]([NH2+][C@@H](C)c1ccnn1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001473735137 1060718361 /nfs/dbraw/zinc/71/83/61/1060718361.db2.gz RTCJYUAJWOCUAS-QWRGUYRKSA-N 1 1 317.349 2.006 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)n1 ZINC001538547028 1072345105 /nfs/dbraw/zinc/34/51/05/1072345105.db2.gz UAWHVYBKZATOND-CQSZACIVSA-N 1 1 320.393 2.101 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)n1 ZINC001538547028 1072345114 /nfs/dbraw/zinc/34/51/14/1072345114.db2.gz UAWHVYBKZATOND-CQSZACIVSA-N 1 1 320.393 2.101 20 5 DEBDMO CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001495917628 1065173718 /nfs/dbraw/zinc/17/37/18/1065173718.db2.gz RDFIJCRJZGTBHB-LSMGEYOZSA-N 1 1 309.410 2.027 20 5 DEBDMO C[C@@H](NC(=O)CC[N@H+]1CC[C@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC001625072259 1078237482 /nfs/dbraw/zinc/23/74/82/1078237482.db2.gz SNPXRSKOAKZTMG-YPMHNXCESA-N 1 1 309.341 2.206 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001625594935 1078248224 /nfs/dbraw/zinc/24/82/24/1078248224.db2.gz QSQZBNGANYSWND-DGCLKSJQSA-N 1 1 320.393 2.148 20 5 DEBDMO CN(C)c1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC001626756951 1078262321 /nfs/dbraw/zinc/26/23/21/1078262321.db2.gz HPRGVOHATCOIIU-UHFFFAOYSA-N 1 1 315.333 2.378 20 5 DEBDMO CC(C)(NC(=O)CC[N@H+]1CC[C@@H](F)C1)c1ccc([N+](=O)[O-])cc1 ZINC001635275201 1078447021 /nfs/dbraw/zinc/44/70/21/1078447021.db2.gz OOCSRSLUDOFJKK-CYBMUJFWSA-N 1 1 323.368 2.380 20 5 DEBDMO Cc1nc(C)c(NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)s1 ZINC001579849375 1067438565 /nfs/dbraw/zinc/43/85/65/1067438565.db2.gz QIUSGYJTAAETIK-CQSZACIVSA-N 1 1 320.374 2.481 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001514832798 1068789256 /nfs/dbraw/zinc/78/92/56/1068789256.db2.gz ZYYDKMNJXUMOHK-XMELGKRDSA-N 1 1 303.362 2.209 20 5 DEBDMO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1ccoc1 ZINC001483714820 1078851130 /nfs/dbraw/zinc/85/11/30/1078851130.db2.gz FXKZWJCCCCRGPC-UHFFFAOYSA-N 1 1 321.358 2.302 20 5 DEBDMO Cc1[nH]c(CNC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)c(C)[nH+]1 ZINC001645072473 1078874808 /nfs/dbraw/zinc/87/48/08/1078874808.db2.gz HRDLMAFPEUICHS-UHFFFAOYSA-N 1 1 324.287 2.451 20 5 DEBDMO C[C@H](NC(=O)CC[N@H+]1CC[C@@H](F)C1)c1ccccc1[N+](=O)[O-] ZINC001644863590 1078866182 /nfs/dbraw/zinc/86/61/82/1078866182.db2.gz FYQUJBXOGLFJIN-NWDGAFQWSA-N 1 1 309.341 2.206 20 5 DEBDMO Cn1c[nH+]cc1CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001559163214 1075114058 /nfs/dbraw/zinc/11/40/58/1075114058.db2.gz MRQNGYHIHAYLEJ-UHFFFAOYSA-N 1 1 315.308 2.092 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC001559304430 1075119592 /nfs/dbraw/zinc/11/95/92/1075119592.db2.gz WMJXLLHOYULMGW-WCQGTBRESA-N 1 1 306.322 2.255 20 5 DEBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590191058 1076580379 /nfs/dbraw/zinc/58/03/79/1076580379.db2.gz OQJRJDZAJUXCID-ZJUUUORDSA-N 1 1 302.338 2.005 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001597304620 1077092316 /nfs/dbraw/zinc/09/23/16/1077092316.db2.gz DSRQAIIFPOJVLE-ZDUSSCGKSA-N 1 1 323.418 2.143 20 5 DEBDMO Cc1cc(CNc2nn(C)cc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC001655537350 1080004434 /nfs/dbraw/zinc/00/44/34/1080004434.db2.gz QOKJRIOYDOQVQP-UHFFFAOYSA-N 1 1 316.365 2.244 20 5 DEBDMO Cc1cocc1C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001266308792 1081963191 /nfs/dbraw/zinc/96/31/91/1081963191.db2.gz DDPHAYBZXVJMHO-UHFFFAOYSA-N 1 1 317.345 2.358 20 5 DEBDMO CC(F)(F)C(=O)NC/C=C/C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001482976954 1082589834 /nfs/dbraw/zinc/58/98/34/1082589834.db2.gz VBSUJJBRHHFHFQ-NSCUHMNNSA-N 1 1 319.333 2.074 20 5 DEBDMO COC[C@@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC000691322089 1083621138 /nfs/dbraw/zinc/62/11/38/1083621138.db2.gz BXOOHCJWXAHEGK-GFCCVEGCSA-N 1 1 302.758 2.341 20 5 DEBDMO COC[C@@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC000691322089 1083621135 /nfs/dbraw/zinc/62/11/35/1083621135.db2.gz BXOOHCJWXAHEGK-GFCCVEGCSA-N 1 1 302.758 2.341 20 5 DEBDMO CC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001168741031 1086186970 /nfs/dbraw/zinc/18/69/70/1086186970.db2.gz DFCUCKMQVFUYHS-ZDUSSCGKSA-N 1 1 319.321 2.477 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001128652768 1086316242 /nfs/dbraw/zinc/31/62/42/1086316242.db2.gz QFRUSVQUDYGAJT-CQSZACIVSA-N 1 1 320.393 2.148 20 5 DEBDMO O=[N+]([O-])c1cc(Cl)c(N2CC([NH2+]C3COC3)C2)c(Cl)c1 ZINC001164220777 1089301968 /nfs/dbraw/zinc/30/19/68/1089301968.db2.gz MYCABLJKGZMCIE-UHFFFAOYSA-N 1 1 318.160 2.079 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N[C@@H]1C[NH2+]CC1(F)F)CC2 ZINC001246456428 1140904559 /nfs/dbraw/zinc/90/45/59/1140904559.db2.gz AKEJZBUEMGFRDV-GXTWGEPZSA-N 1 1 311.332 2.039 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001323948949 1141914304 /nfs/dbraw/zinc/91/43/04/1141914304.db2.gz PODHEFIZMRFVJP-GFCCVEGCSA-N 1 1 322.409 2.487 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(c3nc4ccc([N+](=O)[O-])cc4s3)C[C@@H]21 ZINC001324429443 1142076035 /nfs/dbraw/zinc/07/60/35/1142076035.db2.gz TWMUWOYHCUYLNJ-SKDRFNHKSA-N 1 1 304.375 2.345 20 5 DEBDMO CCOc1cccc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001336726226 1142548581 /nfs/dbraw/zinc/54/85/81/1142548581.db2.gz NMNIUMVOZXSHME-JSGCOSHPSA-N 1 1 322.409 2.040 20 5 DEBDMO COC(=O)CC(C)(C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001253462789 1142874028 /nfs/dbraw/zinc/87/40/28/1142874028.db2.gz MXSNVDWTYFUQAF-UHFFFAOYSA-N 1 1 310.350 2.247 20 5 DEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CC=CC1 ZINC001339493730 1143043209 /nfs/dbraw/zinc/04/32/09/1143043209.db2.gz UQKCKGLGDTYHDU-GFCCVEGCSA-N 1 1 321.402 2.063 20 5 DEBDMO C[N@@H+](C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)CN ZINC001254468560 1143129561 /nfs/dbraw/zinc/12/95/61/1143129561.db2.gz MWNFXHSGIIGVTI-UHFFFAOYSA-N 1 1 306.410 2.233 20 5 DEBDMO CN(C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C[NH3+] ZINC001254468560 1143129579 /nfs/dbraw/zinc/12/95/79/1143129579.db2.gz MWNFXHSGIIGVTI-UHFFFAOYSA-N 1 1 306.410 2.233 20 5 DEBDMO CC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254566357 1143250274 /nfs/dbraw/zinc/25/02/74/1143250274.db2.gz STXAMEXJUDDDSU-WFASDCNBSA-N 1 1 305.378 2.078 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(N3CCC3)CC1)C2 ZINC001254609899 1143282336 /nfs/dbraw/zinc/28/23/36/1143282336.db2.gz FCPLOOKSHXMYQB-KRWDZBQOSA-N 1 1 301.390 2.232 20 5 DEBDMO O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001256661362 1143860597 /nfs/dbraw/zinc/86/05/97/1143860597.db2.gz BJTJPHZZSICZPR-LBPRGKRZSA-N 1 1 321.352 2.225 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001262710040 1144329276 /nfs/dbraw/zinc/32/92/76/1144329276.db2.gz CTDLCMDAESXRDV-LLVKDONJSA-N 1 1 301.350 2.434 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353329204 1151824363 /nfs/dbraw/zinc/82/43/63/1151824363.db2.gz PCBMWTFNMSMPKA-HIFRSBDPSA-N 1 1 307.394 2.091 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353329204 1151824361 /nfs/dbraw/zinc/82/43/61/1151824361.db2.gz PCBMWTFNMSMPKA-HIFRSBDPSA-N 1 1 307.394 2.091 20 5 DEBDMO C[C@H](C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC001289376444 1146821621 /nfs/dbraw/zinc/82/16/21/1146821621.db2.gz DVVPHDOJEDEHFG-QEORTHHSSA-N 1 1 317.389 2.108 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001339268032 1147399398 /nfs/dbraw/zinc/39/93/98/1147399398.db2.gz WATSAWAYCIYIRS-OWCLPIDISA-N 1 1 317.389 2.299 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000278297371 214075198 /nfs/dbraw/zinc/07/51/98/214075198.db2.gz XNWJLNAECHRTEC-ZDUSSCGKSA-N 1 1 308.382 2.211 20 5 DEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000278381774 214129495 /nfs/dbraw/zinc/12/94/95/214129495.db2.gz CXUQFQQNBKVZQB-AWEZNQCLSA-N 1 1 319.405 2.280 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000426474604 230798693 /nfs/dbraw/zinc/79/86/93/230798693.db2.gz UTSKSRYEBZKMRU-FZMZJTMJSA-N 1 1 319.361 2.416 20 5 DEBDMO COc1ccc(OCC[N@@H+](C)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000152229631 282138328 /nfs/dbraw/zinc/13/83/28/282138328.db2.gz HTERWXRERGPYAR-UHFFFAOYSA-N 1 1 324.377 2.219 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCSCC1 ZINC000089980807 185273567 /nfs/dbraw/zinc/27/35/67/185273567.db2.gz WPNKKOHFCPXPTC-LLVKDONJSA-N 1 1 309.391 2.361 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCSCC1 ZINC000089980807 185273568 /nfs/dbraw/zinc/27/35/68/185273568.db2.gz WPNKKOHFCPXPTC-LLVKDONJSA-N 1 1 309.391 2.361 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)c(F)c1 ZINC000090517009 185300020 /nfs/dbraw/zinc/30/00/20/185300020.db2.gz YMSCNYMTRGRMMZ-UHFFFAOYSA-N 1 1 323.299 2.167 20 5 DEBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272781717 210184652 /nfs/dbraw/zinc/18/46/52/210184652.db2.gz RYOOKBADUSUMDF-RYUDHWBXSA-N 1 1 320.393 2.306 20 5 DEBDMO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CCn4cc[nH+]c4C3)c2c1 ZINC000614524703 362401772 /nfs/dbraw/zinc/40/17/72/362401772.db2.gz LTRTYPVTKJCCSW-JTQLQIEISA-N 1 1 310.317 2.161 20 5 DEBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCC[C@H]1O ZINC000331871791 530023390 /nfs/dbraw/zinc/02/33/90/530023390.db2.gz YKWMSWWQWQPPNA-IINYFYTJSA-N 1 1 304.350 2.064 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115436335 185683654 /nfs/dbraw/zinc/68/36/54/185683654.db2.gz GBXHTUILTMUJAJ-GFCCVEGCSA-N 1 1 321.377 2.017 20 5 DEBDMO C[C@H]1OCC[C@@]12C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000279676001 215053275 /nfs/dbraw/zinc/05/32/75/215053275.db2.gz DWDAGYPIVJRYKT-CKEIUWERSA-N 1 1 320.389 2.406 20 5 DEBDMO C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000139725423 186024118 /nfs/dbraw/zinc/02/41/18/186024118.db2.gz GZNDWDBXUSCZSF-SMDDNHRTSA-N 1 1 306.366 2.049 20 5 DEBDMO CN(C(=O)Nc1ccncc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287110965 219321111 /nfs/dbraw/zinc/32/11/11/219321111.db2.gz NYAINZSXZZYHGH-FOSCPWQOSA-N 1 1 319.365 2.079 20 5 DEBDMO CC[C@]1([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCOC1 ZINC000616866118 362952488 /nfs/dbraw/zinc/95/24/88/362952488.db2.gz OSCBBSREMJHNII-HNNXBMFYSA-N 1 1 318.333 2.304 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1(O)CCCC1 ZINC000152398291 186068731 /nfs/dbraw/zinc/06/87/31/186068731.db2.gz HPZFAKBAERIFDR-LBPRGKRZSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](C)(O)CC1 ZINC000280028258 215321966 /nfs/dbraw/zinc/32/19/66/215321966.db2.gz KTHVRCIUUUKTCK-LRDDRELGSA-N 1 1 321.377 2.159 20 5 DEBDMO CC[N@@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171982887 198019769 /nfs/dbraw/zinc/01/97/69/198019769.db2.gz PNSSPUAAAWNCAF-UHFFFAOYSA-N 1 1 307.375 2.491 20 5 DEBDMO COCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000172771453 198147989 /nfs/dbraw/zinc/14/79/89/198147989.db2.gz QVSVODJRNSIIHM-UHFFFAOYSA-N 1 1 302.762 2.023 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])c1 ZINC000172972283 198172056 /nfs/dbraw/zinc/17/20/56/198172056.db2.gz KEZPFELUQARUOO-TXEJJXNPSA-N 1 1 319.361 2.130 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])c1 ZINC000172972283 198172058 /nfs/dbraw/zinc/17/20/58/198172058.db2.gz KEZPFELUQARUOO-TXEJJXNPSA-N 1 1 319.361 2.130 20 5 DEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000072875091 191246443 /nfs/dbraw/zinc/24/64/43/191246443.db2.gz YPMYXJJUGCXTBN-NSHDSACASA-N 1 1 307.350 2.416 20 5 DEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000072875091 191246445 /nfs/dbraw/zinc/24/64/45/191246445.db2.gz YPMYXJJUGCXTBN-NSHDSACASA-N 1 1 307.350 2.416 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000173710744 198243557 /nfs/dbraw/zinc/24/35/57/198243557.db2.gz BWTKQCSLZMRQPH-GXTWGEPZSA-N 1 1 324.377 2.218 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000174869132 198395303 /nfs/dbraw/zinc/39/53/03/198395303.db2.gz GTYKEFCVPRBBNB-AWEZNQCLSA-N 1 1 318.352 2.495 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000174873846 198395879 /nfs/dbraw/zinc/39/58/79/198395879.db2.gz ICODAEXWMZHGPZ-HNNXBMFYSA-N 1 1 300.362 2.356 20 5 DEBDMO C[N@H+](Cc1ccco1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182175331 199398343 /nfs/dbraw/zinc/39/83/43/199398343.db2.gz UFBZRUUYONSUSD-GFCCVEGCSA-N 1 1 306.318 2.060 20 5 DEBDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000006734293 353997513 /nfs/dbraw/zinc/99/75/13/353997513.db2.gz QDDGABNVWBAISS-INIZCTEOSA-N 1 1 316.357 2.467 20 5 DEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000834817447 649851302 /nfs/dbraw/zinc/85/13/02/649851302.db2.gz RHICAWRKKPARAJ-CYBMUJFWSA-N 1 1 315.732 2.022 20 5 DEBDMO CC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000027343998 354091102 /nfs/dbraw/zinc/09/11/02/354091102.db2.gz HBIXXQWDGQTWHD-UHFFFAOYSA-N 1 1 303.362 2.216 20 5 DEBDMO COc1ccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047145649 354308483 /nfs/dbraw/zinc/30/84/83/354308483.db2.gz KYTBCTRURQBHRJ-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000067165083 354750136 /nfs/dbraw/zinc/75/01/36/354750136.db2.gz BZDUNSBVDQWHSH-HUUCEWRRSA-N 1 1 303.362 2.260 20 5 DEBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000070979517 354893213 /nfs/dbraw/zinc/89/32/13/354893213.db2.gz SSSLRNPAPZEKSS-CYBMUJFWSA-N 1 1 315.329 2.192 20 5 DEBDMO Cc1cnc(NC[C@@H](CC(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000078628688 355271114 /nfs/dbraw/zinc/27/11/14/355271114.db2.gz YSLGDRFEVCZBFV-CQSZACIVSA-N 1 1 322.409 2.457 20 5 DEBDMO Cc1cc(NCCc2cn3c([nH+]2)CCCC3)ncc1[N+](=O)[O-] ZINC000080597849 355372562 /nfs/dbraw/zinc/37/25/62/355372562.db2.gz FVRPPVOUBOFANZ-UHFFFAOYSA-N 1 1 301.350 2.486 20 5 DEBDMO CCC1(O)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083213685 355464737 /nfs/dbraw/zinc/46/47/37/355464737.db2.gz ZZMMLGOXUDTLML-UHFFFAOYSA-N 1 1 305.334 2.473 20 5 DEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000087121448 355505513 /nfs/dbraw/zinc/50/55/13/355505513.db2.gz VWJDQEMHPJYNJX-JKSUJKDBSA-N 1 1 317.389 2.270 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000088726622 355518425 /nfs/dbraw/zinc/51/84/25/355518425.db2.gz CBRZMLHALVPUEO-UHFFFAOYSA-N 1 1 307.394 2.450 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCOCCO)C2CCC2)c(F)c1 ZINC000595600822 358497280 /nfs/dbraw/zinc/49/72/80/358497280.db2.gz PGEQFUOBJXQAPH-UHFFFAOYSA-N 1 1 312.341 2.097 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+](CCOCCO)C2CCC2)c(F)c1 ZINC000595600822 358497281 /nfs/dbraw/zinc/49/72/81/358497281.db2.gz PGEQFUOBJXQAPH-UHFFFAOYSA-N 1 1 312.341 2.097 20 5 DEBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CCC1 ZINC000111299418 355747884 /nfs/dbraw/zinc/74/78/84/355747884.db2.gz WSUKRRZDDUGRGC-UHFFFAOYSA-N 1 1 303.362 2.216 20 5 DEBDMO COC(=O)[C@H](C)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000171299265 356000028 /nfs/dbraw/zinc/00/00/28/356000028.db2.gz MSCXKEAAQTUUNJ-GFCCVEGCSA-N 1 1 322.361 2.247 20 5 DEBDMO CCOc1cccc(NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000184120907 199676051 /nfs/dbraw/zinc/67/60/51/199676051.db2.gz PNUZIDKPOSJGCZ-ZDUSSCGKSA-N 1 1 323.393 2.374 20 5 DEBDMO COCC[C@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000291255027 356380799 /nfs/dbraw/zinc/38/07/99/356380799.db2.gz OGUQFKKRXOWHGP-HNNXBMFYSA-N 1 1 324.377 2.101 20 5 DEBDMO COCC[C@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000291255027 356380800 /nfs/dbraw/zinc/38/08/00/356380800.db2.gz OGUQFKKRXOWHGP-HNNXBMFYSA-N 1 1 324.377 2.101 20 5 DEBDMO C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000319945331 356442328 /nfs/dbraw/zinc/44/23/28/356442328.db2.gz HFJQKYVCNDUSRB-AWEZNQCLSA-N 1 1 320.437 2.271 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000081363444 192257819 /nfs/dbraw/zinc/25/78/19/192257819.db2.gz WBJFWHXNACBMRB-LLVKDONJSA-N 1 1 311.407 2.460 20 5 DEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000081624844 192304532 /nfs/dbraw/zinc/30/45/32/192304532.db2.gz NEMJEIWEZZEDFP-CQSZACIVSA-N 1 1 323.393 2.372 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000618455983 363498425 /nfs/dbraw/zinc/49/84/25/363498425.db2.gz UMCMBPWWJPUVKJ-CYBMUJFWSA-N 1 1 303.362 2.117 20 5 DEBDMO C[C@@H](c1nc(-c2c([N+](=O)[O-])ncn2C)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000350896864 356583994 /nfs/dbraw/zinc/58/39/94/356583994.db2.gz FJCIBCWGLKGGRJ-AEJSXWLSSA-N 1 1 320.353 2.312 20 5 DEBDMO C[N@H+]1CCC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000385112408 356687370 /nfs/dbraw/zinc/68/73/70/356687370.db2.gz WAUXSSGPRTVICQ-SECBINFHSA-N 1 1 307.379 2.353 20 5 DEBDMO COCC1([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591021406 357662288 /nfs/dbraw/zinc/66/22/88/357662288.db2.gz HEAZKHDBVVYUAS-UHFFFAOYSA-N 1 1 307.350 2.034 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591062966 357669163 /nfs/dbraw/zinc/66/91/63/357669163.db2.gz CZNOEBJHTFKNKR-LSDHHAIUSA-N 1 1 320.389 2.457 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000591529859 357733488 /nfs/dbraw/zinc/73/34/88/357733488.db2.gz IFLUQASQAAGDKS-CYBMUJFWSA-N 1 1 305.378 2.378 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000591529859 357733489 /nfs/dbraw/zinc/73/34/89/357733489.db2.gz IFLUQASQAAGDKS-CYBMUJFWSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000179487447 199044511 /nfs/dbraw/zinc/04/45/11/199044511.db2.gz FPZUVFREGCKJSH-AWEZNQCLSA-N 1 1 303.362 2.146 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000179487447 199044512 /nfs/dbraw/zinc/04/45/12/199044512.db2.gz FPZUVFREGCKJSH-AWEZNQCLSA-N 1 1 303.362 2.146 20 5 DEBDMO Cc1cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000593187627 358029374 /nfs/dbraw/zinc/02/93/74/358029374.db2.gz MYYHDLXJWCSEFP-AGIUHOORSA-N 1 1 305.378 2.456 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000593187017 358029570 /nfs/dbraw/zinc/02/95/70/358029570.db2.gz CRFDYZQXHSQCLP-WOPDTQHZSA-N 1 1 321.377 2.157 20 5 DEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593470136 358086426 /nfs/dbraw/zinc/08/64/26/358086426.db2.gz PXPKVABRXMJQFY-GFCCVEGCSA-N 1 1 323.368 2.077 20 5 DEBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cn2)[C@H](Cc2ccccc2)C1 ZINC000593503799 358092978 /nfs/dbraw/zinc/09/29/78/358092978.db2.gz LHFSYSNYLHIXRE-MRXNPFEDSA-N 1 1 312.373 2.353 20 5 DEBDMO C[C@@H](CCO)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593694692 358126015 /nfs/dbraw/zinc/12/60/15/358126015.db2.gz PYBXHNWRSHMUML-LBPRGKRZSA-N 1 1 318.377 2.198 20 5 DEBDMO NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594599266 358301982 /nfs/dbraw/zinc/30/19/82/358301982.db2.gz IQKXWZCVDXBRKO-CHWSQXEVSA-N 1 1 318.377 2.123 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000594992760 358374914 /nfs/dbraw/zinc/37/49/14/358374914.db2.gz XCYDKAGJCKVIOH-CYBMUJFWSA-N 1 1 323.393 2.186 20 5 DEBDMO CCCN1CC[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000594992760 358374918 /nfs/dbraw/zinc/37/49/18/358374918.db2.gz XCYDKAGJCKVIOH-CYBMUJFWSA-N 1 1 323.393 2.186 20 5 DEBDMO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595680320 358520591 /nfs/dbraw/zinc/52/05/91/358520591.db2.gz ZKQVNFIIOVBYJW-NHYWBVRUSA-N 1 1 318.377 2.454 20 5 DEBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595680320 358520595 /nfs/dbraw/zinc/52/05/95/358520595.db2.gz ZKQVNFIIOVBYJW-NHYWBVRUSA-N 1 1 318.377 2.454 20 5 DEBDMO COCCC[N@@H+](CCOC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595293473 358414925 /nfs/dbraw/zinc/41/49/25/358414925.db2.gz OOOIYCQEMUSJQC-UHFFFAOYSA-N 1 1 300.330 2.219 20 5 DEBDMO Cc1noc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000595331416 358423868 /nfs/dbraw/zinc/42/38/68/358423868.db2.gz KEQWUOVSTOTOFF-ZDUSSCGKSA-N 1 1 308.382 2.055 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000595766222 358543854 /nfs/dbraw/zinc/54/38/54/358543854.db2.gz NDWOXXHPXIIORL-SWLSCSKDSA-N 1 1 321.377 2.077 20 5 DEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181130104 199255669 /nfs/dbraw/zinc/25/56/69/199255669.db2.gz ZTDAHEGRDONTAR-LBPRGKRZSA-N 1 1 320.393 2.123 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596093655 358609263 /nfs/dbraw/zinc/60/92/63/358609263.db2.gz CVXFLJMLMNMORW-GFCCVEGCSA-N 1 1 320.393 2.226 20 5 DEBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596469581 358693070 /nfs/dbraw/zinc/69/30/70/358693070.db2.gz DOPWMTLOFFYZJP-GFCCVEGCSA-N 1 1 320.393 2.070 20 5 DEBDMO CCc1nn(C)c(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596570011 358716831 /nfs/dbraw/zinc/71/68/31/358716831.db2.gz GNGVWYYJLFBFEI-CYBMUJFWSA-N 1 1 321.425 2.425 20 5 DEBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1=CCCOC1 ZINC000597206597 358853612 /nfs/dbraw/zinc/85/36/12/358853612.db2.gz SICFELDPTIIAKW-UHFFFAOYSA-N 1 1 320.345 2.145 20 5 DEBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1=CCCOC1 ZINC000597206597 358853614 /nfs/dbraw/zinc/85/36/14/358853614.db2.gz SICFELDPTIIAKW-UHFFFAOYSA-N 1 1 320.345 2.145 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597854312 359022028 /nfs/dbraw/zinc/02/20/28/359022028.db2.gz GETDHNBZWFJVJN-GFCCVEGCSA-N 1 1 305.378 2.445 20 5 DEBDMO C[C@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000598912199 359355178 /nfs/dbraw/zinc/35/51/78/359355178.db2.gz ODLQTLNSFXVGTG-WDEREUQCSA-N 1 1 304.350 2.308 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187313939 200093777 /nfs/dbraw/zinc/09/37/77/200093777.db2.gz XTYNGQVSEYNWNQ-VXGBXAGGSA-N 1 1 320.393 2.027 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000600997975 359887472 /nfs/dbraw/zinc/88/74/72/359887472.db2.gz PKRUZRVIMSVIKZ-NSHDSACASA-N 1 1 309.341 2.196 20 5 DEBDMO CC(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000189083979 200345751 /nfs/dbraw/zinc/34/57/51/200345751.db2.gz CRYXOJCBFRCSRG-GFCCVEGCSA-N 1 1 305.378 2.400 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000281167966 216125979 /nfs/dbraw/zinc/12/59/79/216125979.db2.gz MCMSRESCKVCVRP-LLVKDONJSA-N 1 1 322.365 2.063 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(CN[C@@H]3CC[N@H+]4CCCC[C@@H]34)nc2c1 ZINC000602514940 360412794 /nfs/dbraw/zinc/41/27/94/360412794.db2.gz SIECRZQIGJSKKG-OCCSQVGLSA-N 1 1 316.361 2.452 20 5 DEBDMO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000602734905 360525631 /nfs/dbraw/zinc/52/56/31/360525631.db2.gz HUJWFKYGZXKNKA-HNNXBMFYSA-N 1 1 305.378 2.394 20 5 DEBDMO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000602734905 360525634 /nfs/dbraw/zinc/52/56/34/360525634.db2.gz HUJWFKYGZXKNKA-HNNXBMFYSA-N 1 1 305.378 2.394 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000602773638 360546332 /nfs/dbraw/zinc/54/63/32/360546332.db2.gz WCWNCDSSQKJYCQ-GFCCVEGCSA-N 1 1 310.398 2.115 20 5 DEBDMO COC(=O)C[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000604305053 360895243 /nfs/dbraw/zinc/89/52/43/360895243.db2.gz QHBSGWNHADJOMW-ZDUSSCGKSA-N 1 1 322.361 2.391 20 5 DEBDMO CCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000604435972 360906016 /nfs/dbraw/zinc/90/60/16/360906016.db2.gz SDCKHGIZQOOGMD-IUODEOHRSA-N 1 1 321.377 2.423 20 5 DEBDMO CCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000604435972 360906020 /nfs/dbraw/zinc/90/60/20/360906020.db2.gz SDCKHGIZQOOGMD-IUODEOHRSA-N 1 1 321.377 2.423 20 5 DEBDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000609382812 361307198 /nfs/dbraw/zinc/30/71/98/361307198.db2.gz FCLCGPYSDSKXAQ-CQSZACIVSA-N 1 1 303.362 2.117 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609848943 361344650 /nfs/dbraw/zinc/34/46/50/361344650.db2.gz QLWWVEPOLMXUFO-OLZOCXBDSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CCO)C1 ZINC000609848943 361344654 /nfs/dbraw/zinc/34/46/54/361344654.db2.gz QLWWVEPOLMXUFO-OLZOCXBDSA-N 1 1 321.377 2.016 20 5 DEBDMO CCCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193670096 201100291 /nfs/dbraw/zinc/10/02/91/201100291.db2.gz WWRRCVGKGOWNFJ-UHFFFAOYSA-N 1 1 311.338 2.488 20 5 DEBDMO CCCCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193670096 201100294 /nfs/dbraw/zinc/10/02/94/201100294.db2.gz WWRRCVGKGOWNFJ-UHFFFAOYSA-N 1 1 311.338 2.488 20 5 DEBDMO COCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193883290 201137329 /nfs/dbraw/zinc/13/73/29/201137329.db2.gz DQDCVVDNALKPFM-UHFFFAOYSA-N 1 1 309.322 2.361 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611088066 361526053 /nfs/dbraw/zinc/52/60/53/361526053.db2.gz BBDGGCIEYCTPMT-LBPRGKRZSA-N 1 1 323.418 2.240 20 5 DEBDMO CC[N@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611088066 361526056 /nfs/dbraw/zinc/52/60/56/361526056.db2.gz BBDGGCIEYCTPMT-LBPRGKRZSA-N 1 1 323.418 2.240 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cc(C)[nH+]c1C ZINC000611164988 361538592 /nfs/dbraw/zinc/53/85/92/361538592.db2.gz MDFIVMTVQBJFQU-UHFFFAOYSA-N 1 1 304.306 2.055 20 5 DEBDMO COCC1([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000611178836 361542060 /nfs/dbraw/zinc/54/20/60/361542060.db2.gz PRZHFGQDXLDLDH-UHFFFAOYSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194466921 201232443 /nfs/dbraw/zinc/23/24/43/201232443.db2.gz IGVQJNONJKUNHJ-LLVKDONJSA-N 1 1 316.361 2.474 20 5 DEBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611712187 361664399 /nfs/dbraw/zinc/66/43/99/361664399.db2.gz IEBRKVCIBBTLLF-NSHDSACASA-N 1 1 324.344 2.265 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000194782218 201287342 /nfs/dbraw/zinc/28/73/42/201287342.db2.gz FEGDVVUXSULZFI-QWHCGFSZSA-N 1 1 303.362 2.212 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611706671 361663402 /nfs/dbraw/zinc/66/34/02/361663402.db2.gz JIMSFDFGVQAWIL-GFCCVEGCSA-N 1 1 315.377 2.316 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000619567006 363827222 /nfs/dbraw/zinc/82/72/22/363827222.db2.gz HGUYUFIAOMWOKC-AWEZNQCLSA-N 1 1 305.378 2.460 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000271832677 209253209 /nfs/dbraw/zinc/25/32/09/209253209.db2.gz PABSSSRUPKHSET-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](CCO)C1CCOCC1 ZINC000275469543 212353754 /nfs/dbraw/zinc/35/37/54/212353754.db2.gz CMUQANWFBZVDFD-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000275470540 212353026 /nfs/dbraw/zinc/35/30/26/212353026.db2.gz BGCCYIMTISZMAQ-LLVKDONJSA-N 1 1 311.357 2.015 20 5 DEBDMO CO[C@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000451571795 243136281 /nfs/dbraw/zinc/13/62/81/243136281.db2.gz PZFKIQQPKIJSBU-WFASDCNBSA-N 1 1 321.377 2.199 20 5 DEBDMO CO[C@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000451571795 243136295 /nfs/dbraw/zinc/13/62/95/243136295.db2.gz PZFKIQQPKIJSBU-WFASDCNBSA-N 1 1 321.377 2.199 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264595709 204016348 /nfs/dbraw/zinc/01/63/48/204016348.db2.gz IEYJWGVCXLOWTP-NWDGAFQWSA-N 1 1 304.268 2.482 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264595709 204016353 /nfs/dbraw/zinc/01/63/53/204016353.db2.gz IEYJWGVCXLOWTP-NWDGAFQWSA-N 1 1 304.268 2.482 20 5 DEBDMO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264999799 204333154 /nfs/dbraw/zinc/33/31/54/204333154.db2.gz DQSZPCLBGLDFGB-LSDHHAIUSA-N 1 1 321.377 2.159 20 5 DEBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264999799 204333159 /nfs/dbraw/zinc/33/31/59/204333159.db2.gz DQSZPCLBGLDFGB-LSDHHAIUSA-N 1 1 321.377 2.159 20 5 DEBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000272542578 296183719 /nfs/dbraw/zinc/18/37/19/296183719.db2.gz OBPNWNPXNYHQPL-CYBMUJFWSA-N 1 1 319.361 2.001 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288551925 220227834 /nfs/dbraw/zinc/22/78/34/220227834.db2.gz SXAFUJUWIXARMB-LLVKDONJSA-N 1 1 321.377 2.078 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288551925 220227836 /nfs/dbraw/zinc/22/78/36/220227836.db2.gz SXAFUJUWIXARMB-LLVKDONJSA-N 1 1 321.377 2.078 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000458162564 248175968 /nfs/dbraw/zinc/17/59/68/248175968.db2.gz IRHRZBGJEIBIHY-LLVKDONJSA-N 1 1 309.341 2.196 20 5 DEBDMO CC1=CC[N@@H+](CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000492558220 249089295 /nfs/dbraw/zinc/08/92/95/249089295.db2.gz FKQVNUKHIIGKKI-QPJJXVBHSA-N 1 1 315.373 2.376 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159785143 197364007 /nfs/dbraw/zinc/36/40/07/197364007.db2.gz QIJZAOKWQIONTA-XUJVJEKNSA-N 1 1 321.377 2.015 20 5 DEBDMO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285184520 218323644 /nfs/dbraw/zinc/32/36/44/218323644.db2.gz BZNWARONGOAOBU-OLZOCXBDSA-N 1 1 307.394 2.372 20 5 DEBDMO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285184520 218323646 /nfs/dbraw/zinc/32/36/46/218323646.db2.gz BZNWARONGOAOBU-OLZOCXBDSA-N 1 1 307.394 2.372 20 5 DEBDMO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285184525 218324078 /nfs/dbraw/zinc/32/40/78/218324078.db2.gz BZNWARONGOAOBU-QWHCGFSZSA-N 1 1 307.394 2.372 20 5 DEBDMO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285184525 218324081 /nfs/dbraw/zinc/32/40/81/218324081.db2.gz BZNWARONGOAOBU-QWHCGFSZSA-N 1 1 307.394 2.372 20 5 DEBDMO CC(C)N1CCC[C@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000285320260 218380696 /nfs/dbraw/zinc/38/06/96/218380696.db2.gz MYIWKDODLPFMQQ-INIZCTEOSA-N 1 1 319.405 2.469 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000110814986 194360737 /nfs/dbraw/zinc/36/07/37/194360737.db2.gz UONJEHKUXROBDN-UHFFFAOYSA-N 1 1 311.769 2.416 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCO)C2CCCCC2)c1 ZINC000270313366 208385790 /nfs/dbraw/zinc/38/57/90/208385790.db2.gz QDLUWZCCRLESKK-INIZCTEOSA-N 1 1 308.378 2.255 20 5 DEBDMO Cc1cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000157027622 197156057 /nfs/dbraw/zinc/15/60/57/197156057.db2.gz DMUUWAMVFUIZTH-ZBFHGGJFSA-N 1 1 317.389 2.460 20 5 DEBDMO Cc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000155217164 197033095 /nfs/dbraw/zinc/03/30/95/197033095.db2.gz NYPYGYALMUMAOU-BBRMVZONSA-N 1 1 317.389 2.460 20 5 DEBDMO CN(C)c1ncc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000289637280 221119550 /nfs/dbraw/zinc/11/95/50/221119550.db2.gz XHQGYNIWQWVOJH-UHFFFAOYSA-N 1 1 315.377 2.125 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C)C1 ZINC000299690840 533227849 /nfs/dbraw/zinc/22/78/49/533227849.db2.gz YVCORPLZNVYXNQ-GHMZBOCLSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C)C1 ZINC000299690840 533227854 /nfs/dbraw/zinc/22/78/54/533227854.db2.gz YVCORPLZNVYXNQ-GHMZBOCLSA-N 1 1 307.350 2.272 20 5 DEBDMO O=[N+]([O-])c1cc(F)c(N[C@@H]2CCC[N@H+](CCCO)C2)c(F)c1 ZINC000295006639 224373913 /nfs/dbraw/zinc/37/39/13/224373913.db2.gz SBYINYFBTQJGIH-SNVBAGLBSA-N 1 1 315.320 2.132 20 5 DEBDMO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000122039188 195393420 /nfs/dbraw/zinc/39/34/20/195393420.db2.gz JJSNVSQMZRBCIE-GFCCVEGCSA-N 1 1 305.378 2.365 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000340696304 132161109 /nfs/dbraw/zinc/16/11/09/132161109.db2.gz LGZXXOYEBRJONC-STQMWFEESA-N 1 1 319.405 2.471 20 5 DEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CC)CC1 ZINC000351501815 132909471 /nfs/dbraw/zinc/90/94/71/132909471.db2.gz ZFNOXVWSVGTTAW-OAHLLOKOSA-N 1 1 319.405 2.328 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000353689556 132993627 /nfs/dbraw/zinc/99/36/27/132993627.db2.gz MVQFDDXGMKAPSP-UHFFFAOYSA-N 1 1 314.301 2.276 20 5 DEBDMO CC[C@H](C)[N@@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355600339 133036708 /nfs/dbraw/zinc/03/67/08/133036708.db2.gz FLAZLPVCVMIPFJ-NSHDSACASA-N 1 1 310.350 2.377 20 5 DEBDMO COC(=O)COc1ccc(C[N@@H+](C)CC2CCC2)cc1[N+](=O)[O-] ZINC000355607033 133037491 /nfs/dbraw/zinc/03/74/91/133037491.db2.gz MFHAULZHWGKTOJ-UHFFFAOYSA-N 1 1 322.361 2.379 20 5 DEBDMO CC[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000355753299 133046420 /nfs/dbraw/zinc/04/64/20/133046420.db2.gz ZOOSJGULVHUNEF-GFCCVEGCSA-N 1 1 322.361 2.379 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1c[nH]c3nccnc13)CC2 ZINC000356207836 133072218 /nfs/dbraw/zinc/07/22/18/133072218.db2.gz CNHSJEJKJOHWPS-UHFFFAOYSA-N 1 1 309.329 2.376 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1c[nH]c3nccnc13)CC2 ZINC000356207836 133072219 /nfs/dbraw/zinc/07/22/19/133072219.db2.gz CNHSJEJKJOHWPS-UHFFFAOYSA-N 1 1 309.329 2.376 20 5 DEBDMO C[C@H]1C[N@H+](C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358132326 133123077 /nfs/dbraw/zinc/12/30/77/133123077.db2.gz OVEWHTOGRONNHS-NSHDSACASA-N 1 1 323.368 2.174 20 5 DEBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358132326 133123078 /nfs/dbraw/zinc/12/30/78/133123078.db2.gz OVEWHTOGRONNHS-NSHDSACASA-N 1 1 323.368 2.174 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCOC(C)(C)C1 ZINC000377391773 133328582 /nfs/dbraw/zinc/32/85/82/133328582.db2.gz NKIURINOJFCOAD-LBPRGKRZSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCOC(C)(C)C1 ZINC000377391773 133328583 /nfs/dbraw/zinc/32/85/83/133328583.db2.gz NKIURINOJFCOAD-LBPRGKRZSA-N 1 1 321.377 2.423 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)CC[C@@H]21 ZINC000372066122 404483481 /nfs/dbraw/zinc/48/34/81/404483481.db2.gz LFWFNMDOZVQACA-MNOVXSKESA-N 1 1 317.349 2.052 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000246236298 145096119 /nfs/dbraw/zinc/09/61/19/145096119.db2.gz HCVZKELCHKZCFN-BMFZPTHFSA-N 1 1 306.362 2.129 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246803251 145115320 /nfs/dbraw/zinc/11/53/20/145115320.db2.gz JDWSBQSJOJZBKB-UKRRQHHQSA-N 1 1 324.402 2.180 20 5 DEBDMO CC(=O)N1CC[C@H](C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255672121 145204600 /nfs/dbraw/zinc/20/46/00/145204600.db2.gz HQPFJIWRPSIPMQ-ZQMJAJRESA-N 1 1 317.389 2.408 20 5 DEBDMO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000320552104 145374875 /nfs/dbraw/zinc/37/48/75/145374875.db2.gz QDUTZWZSOYCVET-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@@H]1C[C@@H](CO)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000344148494 145811578 /nfs/dbraw/zinc/81/15/78/145811578.db2.gz RFNYYSWFSSMXDO-OLZOCXBDSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346280325 146053478 /nfs/dbraw/zinc/05/34/78/146053478.db2.gz VQDDYQJKMRRSRJ-ZENOOKHLSA-N 1 1 317.389 2.397 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000346639193 146115537 /nfs/dbraw/zinc/11/55/37/146115537.db2.gz JPGVTDFTQCDVFR-LSDHHAIUSA-N 1 1 321.421 2.353 20 5 DEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000346971001 146172828 /nfs/dbraw/zinc/17/28/28/146172828.db2.gz ZELUEVSBEUZWHO-TUAOUCFPSA-N 1 1 308.382 2.019 20 5 DEBDMO Cc1nc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000348341268 146257629 /nfs/dbraw/zinc/25/76/29/146257629.db2.gz MLLMHYXBRNAZBR-CQSZACIVSA-N 1 1 304.394 2.466 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000348403427 146266741 /nfs/dbraw/zinc/26/67/41/146266741.db2.gz LVJBXVLRNQOUSM-INIZCTEOSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000348403427 146266742 /nfs/dbraw/zinc/26/67/42/146266742.db2.gz LVJBXVLRNQOUSM-INIZCTEOSA-N 1 1 321.377 2.079 20 5 DEBDMO C[C@@]1(O)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000348410927 146267827 /nfs/dbraw/zinc/26/78/27/146267827.db2.gz SLYDJHOUJBYDLY-OAHLLOKOSA-N 1 1 304.350 2.208 20 5 DEBDMO C[C@@]1(O)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000348410927 146267829 /nfs/dbraw/zinc/26/78/29/146267829.db2.gz SLYDJHOUJBYDLY-OAHLLOKOSA-N 1 1 304.350 2.208 20 5 DEBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H](C)O ZINC000348710515 146299660 /nfs/dbraw/zinc/29/96/60/146299660.db2.gz CUYTZPJPZNVKAX-VIFPVBQESA-N 1 1 304.293 2.399 20 5 DEBDMO O=C(Nc1c[nH+]ccc1-n1cccn1)c1ccccc1[N+](=O)[O-] ZINC000358628269 147168394 /nfs/dbraw/zinc/16/83/94/147168394.db2.gz KBMILWWVOSCURO-UHFFFAOYSA-N 1 1 309.285 2.428 20 5 DEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000359374869 147317158 /nfs/dbraw/zinc/31/71/58/147317158.db2.gz YNVCHMNDMNGTAR-ZFWWWQNUSA-N 1 1 319.405 2.469 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nc1 ZINC000361810886 147590825 /nfs/dbraw/zinc/59/08/25/147590825.db2.gz GLXDBZAXNFTRDS-ZIAGYGMSSA-N 1 1 306.366 2.045 20 5 DEBDMO O=[N+]([O-])c1cccnc1N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000361810557 147590921 /nfs/dbraw/zinc/59/09/21/147590921.db2.gz DPVPMUMHZOTTCF-OLZOCXBDSA-N 1 1 306.366 2.045 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000375456858 148375064 /nfs/dbraw/zinc/37/50/64/148375064.db2.gz BCVPWDYLMYSBLZ-WOSRLPQWSA-N 1 1 322.409 2.234 20 5 DEBDMO CCCC[N@@H+](CCCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000342288578 404487896 /nfs/dbraw/zinc/48/78/96/404487896.db2.gz YZVZXYOHOJKYGC-UHFFFAOYSA-N 1 1 323.393 2.326 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+](C(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000074237395 401734290 /nfs/dbraw/zinc/73/42/90/401734290.db2.gz CEPCPEYIDWJXDL-UHFFFAOYSA-N 1 1 307.350 2.415 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000112311636 401738578 /nfs/dbraw/zinc/73/85/78/401738578.db2.gz VJVLUHKXUWQXFX-UHFFFAOYSA-N 1 1 309.366 2.065 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000007486631 401740807 /nfs/dbraw/zinc/74/08/07/401740807.db2.gz XOSOUCVGLVBMBE-NSHDSACASA-N 1 1 307.350 2.416 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000007486631 401740809 /nfs/dbraw/zinc/74/08/09/401740809.db2.gz XOSOUCVGLVBMBE-NSHDSACASA-N 1 1 307.350 2.416 20 5 DEBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+](C)Cc1ccccc1 ZINC000110354611 401688948 /nfs/dbraw/zinc/68/89/48/401688948.db2.gz JXQMZXALUZNVNX-GFCCVEGCSA-N 1 1 317.345 2.438 20 5 DEBDMO CCOCCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352608305 404488574 /nfs/dbraw/zinc/48/85/74/404488574.db2.gz IQFUSNFPXMIIID-CQSZACIVSA-N 1 1 312.341 2.361 20 5 DEBDMO CCOCCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352608305 404488578 /nfs/dbraw/zinc/48/85/78/404488578.db2.gz IQFUSNFPXMIIID-CQSZACIVSA-N 1 1 312.341 2.361 20 5 DEBDMO COC(=O)CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000113508409 401780806 /nfs/dbraw/zinc/78/08/06/401780806.db2.gz DZZVNERSMFZCKD-UHFFFAOYSA-N 1 1 310.350 2.377 20 5 DEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000130171388 401821051 /nfs/dbraw/zinc/82/10/51/401821051.db2.gz OSBSFPQYLMQBBE-UHFFFAOYSA-N 1 1 307.394 2.389 20 5 DEBDMO C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000134788736 401914407 /nfs/dbraw/zinc/91/44/07/401914407.db2.gz GKTGXBDGJGTRQG-SECBINFHSA-N 1 1 311.769 2.461 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089932060 401974192 /nfs/dbraw/zinc/97/41/92/401974192.db2.gz SEBIZOSXZULBGC-STQMWFEESA-N 1 1 324.377 2.075 20 5 DEBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000089938018 401974993 /nfs/dbraw/zinc/97/49/93/401974993.db2.gz DKBNQXIOPSYFKL-LLVKDONJSA-N 1 1 312.391 2.420 20 5 DEBDMO O=C(C[N@@H+](C[C@H]1CCOC1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000047405759 401981772 /nfs/dbraw/zinc/98/17/72/401981772.db2.gz ZLQVGOPYVNWQSH-GFCCVEGCSA-N 1 1 319.361 2.034 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089304359 401941583 /nfs/dbraw/zinc/94/15/83/401941583.db2.gz NNFSQSCYMRKSTI-HNNXBMFYSA-N 1 1 305.378 2.128 20 5 DEBDMO CC[C@]1(C)C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000135669139 401950042 /nfs/dbraw/zinc/95/00/42/401950042.db2.gz WHLBGLIXWZDJNJ-MRXNPFEDSA-N 1 1 324.377 2.483 20 5 DEBDMO CC[C@]1(C)C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000135669139 401950045 /nfs/dbraw/zinc/95/00/45/401950045.db2.gz WHLBGLIXWZDJNJ-MRXNPFEDSA-N 1 1 324.377 2.483 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc(O)c3)C2)nc1 ZINC000093534683 402016709 /nfs/dbraw/zinc/01/67/09/402016709.db2.gz SKSQHHJXCTWTDD-ZDUSSCGKSA-N 1 1 314.345 2.382 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000121193846 402019160 /nfs/dbraw/zinc/01/91/60/402019160.db2.gz UXQBRIPUABDTIU-LLVKDONJSA-N 1 1 309.391 2.279 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000121193846 402019162 /nfs/dbraw/zinc/01/91/62/402019162.db2.gz UXQBRIPUABDTIU-LLVKDONJSA-N 1 1 309.391 2.279 20 5 DEBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050445124 402028634 /nfs/dbraw/zinc/02/86/34/402028634.db2.gz KIJUXZWUYJOTDT-VIFPVBQESA-N 1 1 300.742 2.489 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000054794657 402071684 /nfs/dbraw/zinc/07/16/84/402071684.db2.gz MEMOVWDHLNCBBC-LLVKDONJSA-N 1 1 309.341 2.196 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000054794659 402072099 /nfs/dbraw/zinc/07/20/99/402072099.db2.gz MEMOVWDHLNCBBC-NSHDSACASA-N 1 1 309.341 2.196 20 5 DEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000123704317 402142709 /nfs/dbraw/zinc/14/27/09/402142709.db2.gz MQMQHDQUGJHSHX-UHFFFAOYSA-N 1 1 321.421 2.385 20 5 DEBDMO COC(=O)[C@H](C)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000123996713 402158646 /nfs/dbraw/zinc/15/86/46/402158646.db2.gz JFGZKLOGWXCPEH-GFCCVEGCSA-N 1 1 310.350 2.105 20 5 DEBDMO CCC[NH+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068240343 402189106 /nfs/dbraw/zinc/18/91/06/402189106.db2.gz KUKSJOAZJLZILF-UHFFFAOYSA-N 1 1 323.418 2.241 20 5 DEBDMO COC(=O)CC[N@@H+](CC(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153822554 402172312 /nfs/dbraw/zinc/17/23/12/402172312.db2.gz BVYGHYBPCHVUQC-OAHLLOKOSA-N 1 1 324.377 2.149 20 5 DEBDMO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000106863162 402218601 /nfs/dbraw/zinc/21/86/01/402218601.db2.gz AZROQEMITYBANF-IAQYHMDHSA-N 1 1 322.361 2.197 20 5 DEBDMO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000106863162 402218602 /nfs/dbraw/zinc/21/86/02/402218602.db2.gz AZROQEMITYBANF-IAQYHMDHSA-N 1 1 322.361 2.197 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000154681024 402225643 /nfs/dbraw/zinc/22/56/43/402225643.db2.gz LKSWQTWFDMIKRE-HOCLYGCPSA-N 1 1 317.389 2.080 20 5 DEBDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176287979 402296938 /nfs/dbraw/zinc/29/69/38/402296938.db2.gz KKNSLXTZILPONO-AWEZNQCLSA-N 1 1 303.366 2.357 20 5 DEBDMO Cc1cccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177041282 402362896 /nfs/dbraw/zinc/36/28/96/402362896.db2.gz GNKNNEFRKIXEQO-VXGBXAGGSA-N 1 1 303.362 2.258 20 5 DEBDMO Cc1cccc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177041267 402362987 /nfs/dbraw/zinc/36/29/87/402362987.db2.gz GNKNNEFRKIXEQO-RYUDHWBXSA-N 1 1 303.362 2.258 20 5 DEBDMO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000161125137 402374217 /nfs/dbraw/zinc/37/42/17/402374217.db2.gz RTFOBJKIALSJMS-UHFFFAOYSA-N 1 1 304.350 2.359 20 5 DEBDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000161125137 402374219 /nfs/dbraw/zinc/37/42/19/402374219.db2.gz RTFOBJKIALSJMS-UHFFFAOYSA-N 1 1 304.350 2.359 20 5 DEBDMO Cc1c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000164614313 402465516 /nfs/dbraw/zinc/46/55/16/402465516.db2.gz KASANQNTZZAJHL-XJKSGUPXSA-N 1 1 317.389 2.460 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178177484 402468626 /nfs/dbraw/zinc/46/86/26/402468626.db2.gz UVLFMLJJYJIBRS-NWDGAFQWSA-N 1 1 320.393 2.027 20 5 DEBDMO CN(C)C1(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CCC1 ZINC000186974538 402475299 /nfs/dbraw/zinc/47/52/99/402475299.db2.gz MZKAUSIQWXYENI-UHFFFAOYSA-N 1 1 307.394 2.390 20 5 DEBDMO CN(C)C1(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CCC1 ZINC000186974538 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Cc1nc(NCC[N@@H+]2CCc3sccc3C2)ncc1[N+](=O)[O-] ZINC000295461980 403938730 /nfs/dbraw/zinc/93/87/30/403938730.db2.gz IABNSNAXJVSSSO-UHFFFAOYSA-N 1 1 319.390 2.225 20 5 DEBDMO Cc1nc(NCC[N@H+]2CCc3sccc3C2)ncc1[N+](=O)[O-] ZINC000295461980 403938734 /nfs/dbraw/zinc/93/87/34/403938734.db2.gz IABNSNAXJVSSSO-UHFFFAOYSA-N 1 1 319.390 2.225 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000378507503 292295358 /nfs/dbraw/zinc/29/53/58/292295358.db2.gz LMTXLDVWZSSYIC-GDBMZVCRSA-N 1 1 319.405 2.371 20 5 DEBDMO CCCNC(=O)CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000411725008 403952275 /nfs/dbraw/zinc/95/22/75/403952275.db2.gz VKTJHWPMQPMLJK-UHFFFAOYSA-N 1 1 307.394 2.376 20 5 DEBDMO Cc1cc(F)cc2c1C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000337394255 403994112 /nfs/dbraw/zinc/99/41/12/403994112.db2.gz IKGZBHOKDOSKBR-UHFFFAOYSA-N 1 1 304.325 2.297 20 5 DEBDMO Cc1cc(F)cc2c1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000337394255 403994119 /nfs/dbraw/zinc/99/41/19/403994119.db2.gz IKGZBHOKDOSKBR-UHFFFAOYSA-N 1 1 304.325 2.297 20 5 DEBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000337422266 404013466 /nfs/dbraw/zinc/01/34/66/404013466.db2.gz BRPDGAHQRHITKP-MEDUHNTESA-N 1 1 322.361 2.234 20 5 DEBDMO CCCCC[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000362948196 404020362 /nfs/dbraw/zinc/02/03/62/404020362.db2.gz GCBPKKSJKGMFGM-ZFWWWQNUSA-N 1 1 310.398 2.197 20 5 DEBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000352015258 404079675 /nfs/dbraw/zinc/07/96/75/404079675.db2.gz PVMRLZDIZJNPOB-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000352015258 404079679 /nfs/dbraw/zinc/07/96/79/404079679.db2.gz PVMRLZDIZJNPOB-UWVGGRQHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000412093457 404128916 /nfs/dbraw/zinc/12/89/16/404128916.db2.gz RTTOUNUYBGPXNH-QWRGUYRKSA-N 1 1 304.350 2.064 20 5 DEBDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000412093457 404128921 /nfs/dbraw/zinc/12/89/21/404128921.db2.gz RTTOUNUYBGPXNH-QWRGUYRKSA-N 1 1 304.350 2.064 20 5 DEBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C1CC1 ZINC000290497424 404193490 /nfs/dbraw/zinc/19/34/90/404193490.db2.gz AMGONVKJRQAUNW-CJNGLKHVSA-N 1 1 320.389 2.455 20 5 DEBDMO C[N@@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000290508060 404198528 /nfs/dbraw/zinc/19/85/28/404198528.db2.gz BEPRCDQLLUMSTH-LLVKDONJSA-N 1 1 300.742 2.082 20 5 DEBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H](C)[N@@H+]1C ZINC000296480527 404268419 /nfs/dbraw/zinc/26/84/19/404268419.db2.gz DTHKLTIMRUIXLQ-AOOOYVTPSA-N 1 1 310.329 2.290 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000290718153 404283898 /nfs/dbraw/zinc/28/38/98/404283898.db2.gz YJXYTQUBZNDIGB-SNVBAGLBSA-N 1 1 319.365 2.386 20 5 DEBDMO COC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000296781803 404319494 /nfs/dbraw/zinc/31/94/94/404319494.db2.gz QFJMGXZFZUCGLV-BLLLJJGKSA-N 1 1 321.377 2.280 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296897172 404363869 /nfs/dbraw/zinc/36/38/69/404363869.db2.gz VQLIYVOGLMKSRF-VXGBXAGGSA-N 1 1 307.350 2.428 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296897172 404363876 /nfs/dbraw/zinc/36/38/76/404363876.db2.gz VQLIYVOGLMKSRF-VXGBXAGGSA-N 1 1 307.350 2.428 20 5 DEBDMO [NH3+][C@@H]1CCC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000342100371 404367281 /nfs/dbraw/zinc/36/72/81/404367281.db2.gz JZSBAGHDLFVLDV-HZSPNIEDSA-N 1 1 305.378 2.033 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000291316007 404379684 /nfs/dbraw/zinc/37/96/84/404379684.db2.gz VAORUIICAYHANV-CYBMUJFWSA-N 1 1 322.409 2.465 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000338537987 404388834 /nfs/dbraw/zinc/38/88/34/404388834.db2.gz YCVXTSHPEUHXEG-UHFFFAOYSA-N 1 1 323.393 2.455 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000345060597 404523840 /nfs/dbraw/zinc/52/38/40/404523840.db2.gz HDOGYPBXDNMVPO-OLZOCXBDSA-N 1 1 319.405 2.423 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000345060597 404523851 /nfs/dbraw/zinc/52/38/51/404523851.db2.gz HDOGYPBXDNMVPO-OLZOCXBDSA-N 1 1 319.405 2.423 20 5 DEBDMO CCC[N@@H+](C)CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000345173887 404592742 /nfs/dbraw/zinc/59/27/42/404592742.db2.gz UJSPRVGYVOFGRB-UHFFFAOYSA-N 1 1 305.378 2.428 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000291967652 404605511 /nfs/dbraw/zinc/60/55/11/404605511.db2.gz HQNHBVLQPJGXMF-LLVKDONJSA-N 1 1 308.382 2.027 20 5 DEBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000351620048 404673828 /nfs/dbraw/zinc/67/38/28/404673828.db2.gz LTSICKWPVGUXDT-DZGCQCFKSA-N 1 1 308.378 2.457 20 5 DEBDMO C[N@@H+](CC[C@H]1CCCO1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000342609923 404677719 /nfs/dbraw/zinc/67/77/19/404677719.db2.gz WQSMRQAOUQFYRC-OAHLLOKOSA-N 1 1 322.361 2.462 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000356758591 404682702 /nfs/dbraw/zinc/68/27/02/404682702.db2.gz FAAKJQIMCQRMRW-NSHDSACASA-N 1 1 309.366 2.062 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000357671558 404741010 /nfs/dbraw/zinc/74/10/10/404741010.db2.gz ZFIHYMVMSJZRPU-LBPRGKRZSA-N 1 1 308.382 2.123 20 5 DEBDMO Cn1ccnc1[C@@H]([NH2+]C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000353439836 404831590 /nfs/dbraw/zinc/83/15/90/404831590.db2.gz JPJQFDUYZXYMGB-HNNXBMFYSA-N 1 1 316.361 2.186 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1 ZINC000367212322 404967485 /nfs/dbraw/zinc/96/74/85/404967485.db2.gz QEUWMLTUIKELJH-HOTGVXAUSA-N 1 1 306.362 2.017 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1 ZINC000367212322 404967489 /nfs/dbraw/zinc/96/74/89/404967489.db2.gz QEUWMLTUIKELJH-HOTGVXAUSA-N 1 1 306.362 2.017 20 5 DEBDMO [NH3+]C1(c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000424347423 405074782 /nfs/dbraw/zinc/07/47/82/405074782.db2.gz RGDPVZMMJHINKH-UHFFFAOYSA-N 1 1 304.306 2.469 20 5 DEBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000361482581 405093428 /nfs/dbraw/zinc/09/34/28/405093428.db2.gz XYEHRXRWGMEEBV-CQSZACIVSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000408167723 405129523 /nfs/dbraw/zinc/12/95/23/405129523.db2.gz GBAPSLHKYDUKTE-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000408167723 405129528 /nfs/dbraw/zinc/12/95/28/405129528.db2.gz GBAPSLHKYDUKTE-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@@H+]1C ZINC000408071858 405104826 /nfs/dbraw/zinc/10/48/26/405104826.db2.gz QMFSGRKCFQKPIY-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@H+]1C ZINC000408071858 405104833 /nfs/dbraw/zinc/10/48/33/405104833.db2.gz QMFSGRKCFQKPIY-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO COC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000452032809 405132616 /nfs/dbraw/zinc/13/26/16/405132616.db2.gz BKVNJDPRMMDLGR-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO COC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000452032809 405132623 /nfs/dbraw/zinc/13/26/23/405132623.db2.gz BKVNJDPRMMDLGR-AWEZNQCLSA-N 1 1 321.377 2.343 20 5 DEBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000367810065 405160923 /nfs/dbraw/zinc/16/09/23/405160923.db2.gz MNELBPHXRHJSJJ-BBRMVZONSA-N 1 1 304.346 2.370 20 5 DEBDMO CC(C)[C@]1(CO)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000368074605 405226948 /nfs/dbraw/zinc/22/69/48/405226948.db2.gz OMAFVZJYBBVRKB-MRXNPFEDSA-N 1 1 308.378 2.314 20 5 DEBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000419371755 405244964 /nfs/dbraw/zinc/24/49/64/405244964.db2.gz LIHLGWSTHCEOPK-RQJABVFESA-N 1 1 308.378 2.311 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)C(C)C ZINC000439882373 405295762 /nfs/dbraw/zinc/29/57/62/405295762.db2.gz IRDROAQIXPLMGI-UHFFFAOYSA-N 1 1 324.381 2.455 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000426460183 405360976 /nfs/dbraw/zinc/36/09/76/405360976.db2.gz MNZWNAQBPNGRHN-JGGQBBKZSA-N 1 1 306.362 2.209 20 5 DEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000446035816 405366646 /nfs/dbraw/zinc/36/66/46/405366646.db2.gz OAYHPDYBPKUXGS-JTQLQIEISA-N 1 1 311.769 2.333 20 5 DEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000446035816 405366648 /nfs/dbraw/zinc/36/66/48/405366648.db2.gz OAYHPDYBPKUXGS-JTQLQIEISA-N 1 1 311.769 2.333 20 5 DEBDMO Cc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000421036895 405438116 /nfs/dbraw/zinc/43/81/16/405438116.db2.gz OKNOZUZEPMZJOL-ZDUSSCGKSA-N 1 1 306.366 2.461 20 5 DEBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000421365839 405475288 /nfs/dbraw/zinc/47/52/88/405475288.db2.gz UVDGZSXPBVOONO-VXGBXAGGSA-N 1 1 324.377 2.062 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000493795035 405561535 /nfs/dbraw/zinc/56/15/35/405561535.db2.gz SVWWJYQSAHDSES-ZPIQOJFGSA-N 1 1 317.389 2.456 20 5 DEBDMO CNC(=O)[C@@]1(C)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000430773379 405506585 /nfs/dbraw/zinc/50/65/85/405506585.db2.gz SXPGZSLSJFRDRY-WRLNGNIRSA-N 1 1 303.362 2.066 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493274016 405534594 /nfs/dbraw/zinc/53/45/94/405534594.db2.gz RLBIELMIOCXUOJ-DYLGSBMWSA-N 1 1 321.352 2.300 20 5 DEBDMO CSc1cccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000421711067 405606788 /nfs/dbraw/zinc/60/67/88/405606788.db2.gz NQDWRRWPNMQTDQ-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421714556 405610099 /nfs/dbraw/zinc/61/00/99/405610099.db2.gz VTLWJRUNPFILFK-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000580592746 405652181 /nfs/dbraw/zinc/65/21/81/405652181.db2.gz PNCBQCPLGDSWKJ-ZDUSSCGKSA-N 1 1 321.377 2.247 20 5 DEBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000580592746 405652187 /nfs/dbraw/zinc/65/21/87/405652187.db2.gz PNCBQCPLGDSWKJ-ZDUSSCGKSA-N 1 1 321.377 2.247 20 5 DEBDMO COc1cccc(C(=O)NCC[N@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457057280 405674486 /nfs/dbraw/zinc/67/44/86/405674486.db2.gz ORKJFVBDOFZANU-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO COC[C@@]1(CO)CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000449698912 405698201 /nfs/dbraw/zinc/69/82/01/405698201.db2.gz OUYXBWAZCHSOIV-QHIITQONSA-N 1 1 320.389 2.329 20 5 DEBDMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000457137191 405719554 /nfs/dbraw/zinc/71/95/54/405719554.db2.gz XCSMTRCXAZJAOU-CQSZACIVSA-N 1 1 305.378 2.458 20 5 DEBDMO CNC(=O)CCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000583449835 405744057 /nfs/dbraw/zinc/74/40/57/405744057.db2.gz XRRKNJKTKKKRQS-AWEZNQCLSA-N 1 1 305.378 2.300 20 5 DEBDMO CCC([NH3+])(CC)CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423289929 405749321 /nfs/dbraw/zinc/74/93/21/405749321.db2.gz YNBRAWWTJNDENA-GFCCVEGCSA-N 1 1 322.409 2.419 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000459272357 405829312 /nfs/dbraw/zinc/82/93/12/405829312.db2.gz XCNUAJGXSSGQBN-GFCCVEGCSA-N 1 1 306.366 2.448 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000433011901 405850058 /nfs/dbraw/zinc/85/00/58/405850058.db2.gz HKJHVJYSQBAQJN-HNNXBMFYSA-N 1 1 306.362 2.353 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCN(OC)CC1 ZINC000459579964 405964946 /nfs/dbraw/zinc/96/49/46/405964946.db2.gz LANPANGWZJDQSH-UHFFFAOYSA-N 1 1 309.366 2.061 20 5 DEBDMO COC(=O)[C@@H]([NH2+]CCCNc1ccc([N+](=O)[O-])c(C)c1)C(C)C ZINC000450601718 405973355 /nfs/dbraw/zinc/97/33/55/405973355.db2.gz QBZPNWBICSUQQL-HNNXBMFYSA-N 1 1 323.393 2.492 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCCC[C@H]1O)CCO2 ZINC000567740278 406131513 /nfs/dbraw/zinc/13/15/13/406131513.db2.gz RQDMUFWQJGLXFQ-SWLSCSKDSA-N 1 1 306.362 2.340 20 5 DEBDMO COC(C)(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000533342419 406137983 /nfs/dbraw/zinc/13/79/83/406137983.db2.gz UIGKRANYLBKINR-LLVKDONJSA-N 1 1 309.366 2.279 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000533432022 406143634 /nfs/dbraw/zinc/14/36/34/406143634.db2.gz WWWQATDBLPLMMZ-WDEREUQCSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000533432022 406143635 /nfs/dbraw/zinc/14/36/35/406143635.db2.gz WWWQATDBLPLMMZ-WDEREUQCSA-N 1 1 307.350 2.272 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000536553885 406264568 /nfs/dbraw/zinc/26/45/68/406264568.db2.gz LNVDRVDYROXJPD-QWHCGFSZSA-N 1 1 320.393 2.219 20 5 DEBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000523332704 406421134 /nfs/dbraw/zinc/42/11/34/406421134.db2.gz CDKSMMFASFWFRH-ZDUSSCGKSA-N 1 1 305.378 2.363 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000569201823 292396509 /nfs/dbraw/zinc/39/65/09/292396509.db2.gz PPTYYUNPPGCMFS-SKDRFNHKSA-N 1 1 309.753 2.024 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1(C)C ZINC000549724169 406590072 /nfs/dbraw/zinc/59/00/72/406590072.db2.gz IZAWQCAHJVCENJ-UHFFFAOYSA-N 1 1 316.361 2.242 20 5 DEBDMO CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000491685284 406669381 /nfs/dbraw/zinc/66/93/81/406669381.db2.gz KTFAHAYOVSVWKZ-AJHXJQRKSA-N 1 1 315.373 2.303 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000491915896 406776838 /nfs/dbraw/zinc/77/68/38/406776838.db2.gz QHBHXMUFDSQVHV-SNRDVKANSA-N 1 1 303.362 2.207 20 5 DEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000554636808 406819935 /nfs/dbraw/zinc/81/99/35/406819935.db2.gz NRSOHOVKLOTXCQ-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000554636808 406819941 /nfs/dbraw/zinc/81/99/41/406819941.db2.gz NRSOHOVKLOTXCQ-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129358192 196041746 /nfs/dbraw/zinc/04/17/46/196041746.db2.gz LMZPGYPSNWFNTB-HUUCEWRRSA-N 1 1 319.405 2.310 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCc3cncs3)C2)nc1 ZINC000411372278 227394605 /nfs/dbraw/zinc/39/46/05/227394605.db2.gz CDZCDGJGXORYOO-NSHDSACASA-N 1 1 319.390 2.175 20 5 DEBDMO COCC[N@H+]1CC[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413136092 228281382 /nfs/dbraw/zinc/28/13/82/228281382.db2.gz NJONTBSAAGWJRY-ZDUSSCGKSA-N 1 1 316.361 2.276 20 5 DEBDMO CC(C)Oc1nc(N[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000521899218 421804537 /nfs/dbraw/zinc/80/45/37/421804537.db2.gz OHSOTURWFIWVTR-LLVKDONJSA-N 1 1 306.366 2.426 20 5 DEBDMO CC(C)Oc1nc(N[C@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000565226338 424904563 /nfs/dbraw/zinc/90/45/63/424904563.db2.gz MFTDCTDYVVXEMK-GFCCVEGCSA-N 1 1 310.398 2.918 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000568646148 424919224 /nfs/dbraw/zinc/91/92/24/424919224.db2.gz CAFBGNZBGJJVPF-ZDUSSCGKSA-N 1 1 322.409 2.921 20 5 DEBDMO O=[N+]([O-])c1cccc2ncnc(NCc3c[nH+]c4n3CCCC4)c21 ZINC000561348509 424890856 /nfs/dbraw/zinc/89/08/56/424890856.db2.gz KKDPXCJXRZXUGR-UHFFFAOYSA-N 1 1 324.344 2.683 20 5 DEBDMO C[C@H]1[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CCC[N@H+]1C ZINC000343434390 424977701 /nfs/dbraw/zinc/97/77/01/424977701.db2.gz ALNFFMVSTYVQPQ-SMDDNHRTSA-N 1 1 300.362 3.038 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000596558075 425027496 /nfs/dbraw/zinc/02/74/96/425027496.db2.gz MPOGGPIYJORTLL-HNNXBMFYSA-N 1 1 312.373 2.985 20 5 DEBDMO Cc1cc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596558834 425027565 /nfs/dbraw/zinc/02/75/65/425027565.db2.gz TXKIIZBPBXWPQV-HNNXBMFYSA-N 1 1 312.373 2.985 20 5 DEBDMO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000173384656 267476513 /nfs/dbraw/zinc/47/65/13/267476513.db2.gz GOJDLAQHQCLUCH-CABCVRRESA-N 1 1 320.437 2.129 20 5 DEBDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430217855 269126927 /nfs/dbraw/zinc/12/69/27/269126927.db2.gz LNSFIGXYLBMJRY-CYBMUJFWSA-N 1 1 322.361 2.379 20 5 DEBDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430217855 269126929 /nfs/dbraw/zinc/12/69/29/269126929.db2.gz LNSFIGXYLBMJRY-CYBMUJFWSA-N 1 1 322.361 2.379 20 5 DEBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCO[C@H]1C ZINC000430242117 269128096 /nfs/dbraw/zinc/12/80/96/269128096.db2.gz HZCFWCSLNIVUDT-SWLSCSKDSA-N 1 1 324.377 2.229 20 5 DEBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCO[C@H]1C ZINC000430242117 269128098 /nfs/dbraw/zinc/12/80/98/269128098.db2.gz HZCFWCSLNIVUDT-SWLSCSKDSA-N 1 1 324.377 2.229 20 5 DEBDMO CN1C[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)OC1=O ZINC000495590635 269158071 /nfs/dbraw/zinc/15/80/71/269158071.db2.gz DGWCNASKVYUMTJ-AWEZNQCLSA-N 1 1 305.334 2.010 20 5 DEBDMO CN1C[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)OC1=O ZINC000495590635 269158072 /nfs/dbraw/zinc/15/80/72/269158072.db2.gz DGWCNASKVYUMTJ-AWEZNQCLSA-N 1 1 305.334 2.010 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000515105742 269343435 /nfs/dbraw/zinc/34/34/35/269343435.db2.gz PEFCRDQINNCWTD-NSHDSACASA-N 1 1 302.334 2.020 20 5 DEBDMO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000275359830 274271392 /nfs/dbraw/zinc/27/13/92/274271392.db2.gz LGFWGBQJCOPREM-GHMZBOCLSA-N 1 1 313.785 2.140 20 5 DEBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000275359830 274271393 /nfs/dbraw/zinc/27/13/93/274271393.db2.gz LGFWGBQJCOPREM-GHMZBOCLSA-N 1 1 313.785 2.140 20 5 DEBDMO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000450791557 274363267 /nfs/dbraw/zinc/36/32/67/274363267.db2.gz MJWIBIOHDVORDS-PHIMTYICSA-N 1 1 313.785 2.140 20 5 DEBDMO C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275429988 274365219 /nfs/dbraw/zinc/36/52/19/274365219.db2.gz DRSIFIKFZPFQBS-LLVKDONJSA-N 1 1 311.357 2.015 20 5 DEBDMO CC[N@@H+](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000209825883 276344731 /nfs/dbraw/zinc/34/47/31/276344731.db2.gz HPGAYXNHIMGWNR-YHYXMXQVSA-N 1 1 303.362 2.209 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(C(N)=O)CC1 ZINC000182737892 281021131 /nfs/dbraw/zinc/02/11/31/281021131.db2.gz IWFXYAQXLNAGNQ-LBPRGKRZSA-N 1 1 306.366 2.051 20 5 DEBDMO Cc1ccnc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488716014 302272147 /nfs/dbraw/zinc/27/21/47/302272147.db2.gz QICLWMJCLKPDAA-IACUBPJLSA-N 1 1 304.394 2.465 20 5 DEBDMO C[C@@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000574250352 326136476 /nfs/dbraw/zinc/13/64/76/326136476.db2.gz JJAMHNXVJNLTAX-CHWSQXEVSA-N 1 1 305.378 2.156 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCn2cc([N+](=O)[O-])cc(Cl)c2=O)C1 ZINC000576479622 326297310 /nfs/dbraw/zinc/29/73/10/326297310.db2.gz HDLPQVWAEQFFMM-PHIMTYICSA-N 1 1 313.785 2.388 20 5 DEBDMO C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC001357776919 1152337714 /nfs/dbraw/zinc/33/77/14/1152337714.db2.gz QAPWUGUNZOTGNG-WFASDCNBSA-N 1 1 320.393 2.439 20 5 DEBDMO Cc1cc(F)c(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000296637763 533811862 /nfs/dbraw/zinc/81/18/62/533811862.db2.gz DCQBCAAZNJJTAT-NSHDSACASA-N 1 1 322.340 2.354 20 5 DEBDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296648764 533814319 /nfs/dbraw/zinc/81/43/19/533814319.db2.gz YQOZNGFLQTXMHH-HLVVYCRESA-N 1 1 304.394 2.453 20 5 DEBDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296648764 533814321 /nfs/dbraw/zinc/81/43/21/533814321.db2.gz YQOZNGFLQTXMHH-HLVVYCRESA-N 1 1 304.394 2.453 20 5 DEBDMO CC[N@@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000154697935 521053376 /nfs/dbraw/zinc/05/33/76/521053376.db2.gz PCHPGQRCICUOAO-UHFFFAOYSA-N 1 1 311.357 2.123 20 5 DEBDMO CCC[N@@H+](CC)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355614781 521615331 /nfs/dbraw/zinc/61/53/31/521615331.db2.gz WVWSIZAQDJHFQI-UHFFFAOYSA-N 1 1 310.350 2.379 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1O ZINC000337355689 522680837 /nfs/dbraw/zinc/68/08/37/522680837.db2.gz CAZWIKJPDYTBBK-GJZGRUSLSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000338345768 525413738 /nfs/dbraw/zinc/41/37/38/525413738.db2.gz RRLGGOAGCMUOBJ-SNVBAGLBSA-N 1 1 318.308 2.418 20 5 DEBDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000127498119 525729189 /nfs/dbraw/zinc/72/91/89/525729189.db2.gz FSJWYXGRCPKNFP-HUUCEWRRSA-N 1 1 320.437 2.190 20 5 DEBDMO O=[N+]([O-])c1ccc2ccnc(NCC[N@H+]3CCCOCC3)c2c1 ZINC000413250586 534885210 /nfs/dbraw/zinc/88/52/10/534885210.db2.gz RVSAPXSRHYLVPG-UHFFFAOYSA-N 1 1 316.361 2.277 20 5 DEBDMO CCOCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000292385582 528755180 /nfs/dbraw/zinc/75/51/80/528755180.db2.gz DJGZFECQYIKFSW-UHFFFAOYSA-N 1 1 311.357 2.201 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411233913 529080628 /nfs/dbraw/zinc/08/06/28/529080628.db2.gz ZCRNQZYUGKETJV-OWCLPIDISA-N 1 1 317.389 2.299 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297421844 529104139 /nfs/dbraw/zinc/10/41/39/529104139.db2.gz YKUCRWQOFVKZSG-WFASDCNBSA-N 1 1 320.393 2.439 20 5 DEBDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304375930 535510177 /nfs/dbraw/zinc/51/01/77/535510177.db2.gz XEPFFDOZQSRQBE-BPLDGKMQSA-N 1 1 310.398 2.053 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000458225722 536363569 /nfs/dbraw/zinc/36/35/69/536363569.db2.gz RXFBGNWVMYDBBD-LBPRGKRZSA-N 1 1 323.368 2.125 20 5 DEBDMO C[N@H+]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000493288363 536399059 /nfs/dbraw/zinc/39/90/59/536399059.db2.gz NHUBDGUZDRIBIP-ALCCZGGFSA-N 1 1 321.352 2.300 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000492401296 536460565 /nfs/dbraw/zinc/46/05/65/536460565.db2.gz UNPPGAXCYAZMKP-ULJGCTHBSA-N 1 1 315.373 2.161 20 5 DEBDMO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451558339 536692730 /nfs/dbraw/zinc/69/27/30/536692730.db2.gz GBHNYPBXHNSEPR-YWPYICTPSA-N 1 1 321.377 2.279 20 5 DEBDMO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451558339 536692735 /nfs/dbraw/zinc/69/27/35/536692735.db2.gz GBHNYPBXHNSEPR-YWPYICTPSA-N 1 1 321.377 2.279 20 5 DEBDMO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000892704829 625434562 /nfs/dbraw/zinc/43/45/62/625434562.db2.gz TXUOSEKPUNPJFD-CQSZACIVSA-N 1 1 315.377 2.039 20 5 DEBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCC[N@@H+]2CC[N+](=O)[O-] ZINC000933497102 624473764 /nfs/dbraw/zinc/47/37/64/624473764.db2.gz NFMLUIWZOZGDDU-WFASDCNBSA-N 1 1 313.398 2.032 20 5 DEBDMO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCC[N@H+]2CC[N+](=O)[O-] ZINC000933497102 624473765 /nfs/dbraw/zinc/47/37/65/624473765.db2.gz NFMLUIWZOZGDDU-WFASDCNBSA-N 1 1 313.398 2.032 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@H]1C ZINC000892085232 624775575 /nfs/dbraw/zinc/77/55/75/624775575.db2.gz KYKKRTGJHXZCQQ-NEPJUHHUSA-N 1 1 323.393 2.224 20 5 DEBDMO CC[C@H](C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])N1CCCC1 ZINC000892554205 625146175 /nfs/dbraw/zinc/14/61/75/625146175.db2.gz BHUUQQPXLRCJAG-CYBMUJFWSA-N 1 1 323.393 2.273 20 5 DEBDMO C[C@H]([NH2+]CCCNC(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180450143 625203996 /nfs/dbraw/zinc/20/39/96/625203996.db2.gz AZOJIZQMQPKISG-VIFPVBQESA-N 1 1 319.283 2.314 20 5 DEBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000893201114 625223493 /nfs/dbraw/zinc/22/34/93/625223493.db2.gz WSSOATNRAIMUHL-NSHDSACASA-N 1 1 321.406 2.273 20 5 DEBDMO Cc1c[nH+]ccc1OC1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000893541563 634327156 /nfs/dbraw/zinc/32/71/56/634327156.db2.gz XHTHHNVBGQOHCJ-UHFFFAOYSA-N 1 1 317.349 2.080 20 5 DEBDMO O=C(NCC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001000345274 635150568 /nfs/dbraw/zinc/15/05/68/635150568.db2.gz JXBVZXBJEAQPLS-UHFFFAOYSA-N 1 1 315.373 2.253 20 5 DEBDMO C[C@@H]([NH2+]Cc1c2c(nn1C)CCOC2)c1ccccc1[N+](=O)[O-] ZINC000921965947 635768746 /nfs/dbraw/zinc/76/87/46/635768746.db2.gz FJQAJKRXNOXESR-LLVKDONJSA-N 1 1 316.361 2.252 20 5 DEBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1c([N+](=O)[O-])cnn1C ZINC000893887078 636056194 /nfs/dbraw/zinc/05/61/94/636056194.db2.gz JVVUMHFOWYHLFW-GFCCVEGCSA-N 1 1 303.366 2.261 20 5 DEBDMO 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DEBDMO CC[N@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000754230471 639405021 /nfs/dbraw/zinc/40/50/21/639405021.db2.gz XMTDSCACWSVHSV-YSKGHYERSA-N 1 1 303.362 2.161 20 5 DEBDMO CC[N@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000754230469 639405465 /nfs/dbraw/zinc/40/54/65/639405465.db2.gz XMTDSCACWSVHSV-XURPKSDJSA-N 1 1 303.362 2.161 20 5 DEBDMO CCC[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CC1 ZINC000728903428 639631534 /nfs/dbraw/zinc/63/15/34/639631534.db2.gz YSMUNBNCGFXJPK-UHFFFAOYSA-N 1 1 303.160 2.386 20 5 DEBDMO CCC[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CC1 ZINC000728903428 639631536 /nfs/dbraw/zinc/63/15/36/639631536.db2.gz YSMUNBNCGFXJPK-UHFFFAOYSA-N 1 1 303.160 2.386 20 5 DEBDMO CC(=O)N1CCC(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC001029920595 639804456 /nfs/dbraw/zinc/80/44/56/639804456.db2.gz HXVPOQGCAGOKDZ-UHFFFAOYSA-N 1 1 311.407 2.347 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839706342 639818914 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323.437 2.012 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000757796211 639882636 /nfs/dbraw/zinc/88/26/36/639882636.db2.gz RYICNTLPARAMIX-JQWIXIFHSA-N 1 1 301.350 2.137 20 5 DEBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000761046795 640258506 /nfs/dbraw/zinc/25/85/06/640258506.db2.gz UIFGDKXIQLJGFD-JTQLQIEISA-N 1 1 317.267 2.078 20 5 DEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000761046795 640258509 /nfs/dbraw/zinc/25/85/09/640258509.db2.gz UIFGDKXIQLJGFD-JTQLQIEISA-N 1 1 317.267 2.078 20 5 DEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000765859034 640824401 /nfs/dbraw/zinc/82/44/01/640824401.db2.gz LKPDYNAKFCXQSV-UKRRQHHQSA-N 1 1 319.405 2.326 20 5 DEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000765859034 640824403 /nfs/dbraw/zinc/82/44/03/640824403.db2.gz LKPDYNAKFCXQSV-UKRRQHHQSA-N 1 1 319.405 2.326 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1C ZINC000898012749 641000903 /nfs/dbraw/zinc/00/09/03/641000903.db2.gz FMNCFXIBUGJWGF-DZGCQCFKSA-N 1 1 317.389 2.378 20 5 DEBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000898036622 641007841 /nfs/dbraw/zinc/00/78/41/641007841.db2.gz GWLJTRPZZVMCAV-WQVCFCJDSA-N 1 1 317.389 2.299 20 5 DEBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000771402295 641505910 /nfs/dbraw/zinc/50/59/10/641505910.db2.gz DWVRYPBTDDSEDD-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000771402295 641505912 /nfs/dbraw/zinc/50/59/12/641505912.db2.gz DWVRYPBTDDSEDD-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000776274676 642152006 /nfs/dbraw/zinc/15/20/06/642152006.db2.gz BWQUJYWVWLRGHC-HLLBOEOZSA-N 1 1 320.389 2.377 20 5 DEBDMO 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CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000930647783 694209399 /nfs/dbraw/zinc/20/93/99/694209399.db2.gz CVQQSXICEXOLDZ-UHFFFAOYSA-N 1 1 309.391 2.141 20 5 DEBDMO C[C@@H]1C[C@H](C)CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870854519 688668195 /nfs/dbraw/zinc/66/81/95/688668195.db2.gz IZIDOEKIFAJGJN-BFQNTYOBSA-N 1 1 305.378 2.273 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(=O)NCC1CC1 ZINC000872059712 688920630 /nfs/dbraw/zinc/92/06/30/688920630.db2.gz ICZKLSLPGXDEPV-SNVBAGLBSA-N 1 1 323.418 2.494 20 5 DEBDMO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085593 688924831 /nfs/dbraw/zinc/92/48/31/688924831.db2.gz PUVBTYVRVINPBM-MWLCHTKSSA-N 1 1 323.324 2.368 20 5 DEBDMO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085592 688925014 /nfs/dbraw/zinc/92/50/14/688925014.db2.gz PUVBTYVRVINPBM-KOLCDFICSA-N 1 1 323.324 2.368 20 5 DEBDMO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1F 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VPHURBGRZVTGFH-BMIGLBTASA-N 1 1 305.378 2.297 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000877437086 690112489 /nfs/dbraw/zinc/11/24/89/690112489.db2.gz VPHURBGRZVTGFH-BMIGLBTASA-N 1 1 305.378 2.297 20 5 DEBDMO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3nnc(C4CC4)s3)C2)c1 ZINC000877591350 690161377 /nfs/dbraw/zinc/16/13/77/690161377.db2.gz CFXRFDRKRZYABE-UHFFFAOYSA-N 1 1 320.378 2.014 20 5 DEBDMO CN1C[C@]2(C)C[NH+](CCc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000931310153 694364057 /nfs/dbraw/zinc/36/40/57/694364057.db2.gz IPOUKADNXIVKLT-IAGOWNOFSA-N 1 1 303.406 2.411 20 5 DEBDMO CO[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000879323652 690620135 /nfs/dbraw/zinc/62/01/35/690620135.db2.gz STYXLMKZAZDHFG-GXTWGEPZSA-N 1 1 321.377 2.341 20 5 DEBDMO CO[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000879323652 690620136 /nfs/dbraw/zinc/62/01/36/690620136.db2.gz STYXLMKZAZDHFG-GXTWGEPZSA-N 1 1 321.377 2.341 20 5 DEBDMO 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XRMQCCZLNWQMDC-QLFBSQMISA-N 1 1 304.346 2.226 20 5 DEBDMO Cc1noc(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)c1[N+](=O)[O-] ZINC000932134269 694557012 /nfs/dbraw/zinc/55/70/12/694557012.db2.gz ZZOGZGSWUKTLHY-LLVKDONJSA-N 1 1 305.338 2.004 20 5 DEBDMO Cc1noc(C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)c1[N+](=O)[O-] ZINC000932134269 694557014 /nfs/dbraw/zinc/55/70/14/694557014.db2.gz ZZOGZGSWUKTLHY-LLVKDONJSA-N 1 1 305.338 2.004 20 5 DEBDMO COc1c(C(=O)NCC[N@H+]2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000890072521 692853262 /nfs/dbraw/zinc/85/32/62/692853262.db2.gz WMFAJDHQMSNERI-UHFFFAOYSA-N 1 1 321.377 2.065 20 5 DEBDMO Cc1cccc(C(=O)NCC[N@H+]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000890079638 692857151 /nfs/dbraw/zinc/85/71/51/692857151.db2.gz GXBLNAMQTUVXLH-UHFFFAOYSA-N 1 1 305.378 2.365 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335439442 1150415838 /nfs/dbraw/zinc/41/58/38/1150415838.db2.gz DDGSQTVJVYINGT-CJNGLKHVSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335439442 1150415840 /nfs/dbraw/zinc/41/58/40/1150415840.db2.gz DDGSQTVJVYINGT-CJNGLKHVSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335459594 1150423001 /nfs/dbraw/zinc/42/30/01/1150423001.db2.gz IIJAFWDJQIQDOI-DZGCQCFKSA-N 1 1 307.394 2.091 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335459594 1150423002 /nfs/dbraw/zinc/42/30/02/1150423002.db2.gz IIJAFWDJQIQDOI-DZGCQCFKSA-N 1 1 307.394 2.091 20 5 DEBDMO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3cccc([N+](=O)[O-])c3)C[N@H+]2C1 ZINC001346369432 1150975385 /nfs/dbraw/zinc/97/53/85/1150975385.db2.gz QZGIZVLFTZJURP-YUELXQCFSA-N 1 1 317.389 2.331 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001350120603 1151326090 /nfs/dbraw/zinc/32/60/90/1151326090.db2.gz OQUVSBQBVGFOLP-XHVZSJERSA-N 1 1 322.340 2.196 20 5 DEBDMO 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Cc1nccnc1O[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169054667 785024218 /nfs/dbraw/zinc/02/42/18/785024218.db2.gz NJJGHQGIEUFIEV-QLFBSQMISA-N 1 1 320.393 2.074 20 5 DEBDMO C[N@@H+]1CCc2c(N[C@H]3CCC[C@@H](O)C3)ccc([N+](=O)[O-])c2C1 ZINC001169252602 785117025 /nfs/dbraw/zinc/11/70/25/785117025.db2.gz CXEWWMXVCJTXQN-NWDGAFQWSA-N 1 1 305.378 2.298 20 5 DEBDMO C[N@H+]1CCc2c(N[C@H]3CCC[C@@H](O)C3)ccc([N+](=O)[O-])c2C1 ZINC001169252602 785117030 /nfs/dbraw/zinc/11/70/30/785117030.db2.gz CXEWWMXVCJTXQN-NWDGAFQWSA-N 1 1 305.378 2.298 20 5 DEBDMO COc1ccc(C[C@H](C)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170352831 786917387 /nfs/dbraw/zinc/91/73/87/786917387.db2.gz RIXSYICYIBUXCG-AEGPPILISA-N 1 1 319.405 2.028 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170352831 786917417 /nfs/dbraw/zinc/91/74/17/786917417.db2.gz RIXSYICYIBUXCG-AEGPPILISA-N 1 1 319.405 2.028 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170352831 786917423 /nfs/dbraw/zinc/91/74/23/786917423.db2.gz RIXSYICYIBUXCG-AEGPPILISA-N 1 1 319.405 2.028 20 5 DEBDMO C[N@H+]1CC[C@@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000712529841 792199385 /nfs/dbraw/zinc/19/93/85/792199385.db2.gz NHJNPLDUVQJMFL-SECBINFHSA-N 1 1 300.156 2.473 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(O)CC2)c1F ZINC001173187059 793622342 /nfs/dbraw/zinc/62/23/42/793622342.db2.gz WAKSRIOLCCNIFT-JTQLQIEISA-N 1 1 312.341 2.130 20 5 DEBDMO CC[NH+]1C[C@@H]2CN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001173238398 793656432 /nfs/dbraw/zinc/65/64/32/793656432.db2.gz RFHYBMOTIPLDDW-FVQBIDKESA-N 1 1 303.406 2.409 20 5 DEBDMO CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001177313504 794638433 /nfs/dbraw/zinc/63/84/33/794638433.db2.gz ABWSAMRUDAHTSW-HUUCEWRRSA-N 1 1 311.426 2.059 20 5 DEBDMO O=C([O-])CCC[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001119551411 795321367 /nfs/dbraw/zinc/32/13/67/795321367.db2.gz ZWFKWHPXDDVAAR-UHFFFAOYSA-N 1 1 321.377 2.014 20 5 DEBDMO O=[N+]([O-])c1cc([N+](=O)[O-])cc(N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC001119939179 795375681 /nfs/dbraw/zinc/37/56/81/795375681.db2.gz QLYFFZNJMMQFLA-LLVKDONJSA-N 1 1 306.322 2.178 20 5 DEBDMO C[NH+](C)Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)no1 ZINC001120249329 795428345 /nfs/dbraw/zinc/42/83/45/795428345.db2.gz JIEANTAYZYXDLP-UHFFFAOYSA-N 1 1 305.290 2.001 20 5 DEBDMO Cc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1[N+](=O)[O-] ZINC001123263790 795882166 /nfs/dbraw/zinc/88/21/66/795882166.db2.gz JEHUQQBPKNZISU-MRVWCRGKSA-N 1 1 318.377 2.365 20 5 DEBDMO O=C(c1ccnc2c1ccc1cccnc12)N1CC[N@H+]2CC[C@@H]2C1 ZINC001155810146 797852625 /nfs/dbraw/zinc/85/26/25/797852625.db2.gz FLTPFTSITGFGOO-CQSZACIVSA-N 1 1 318.380 2.313 20 5 DEBDMO Cc1nc(Cl)nc(NCc2ccc(N)[nH+]c2C)c1[N+](=O)[O-] ZINC001156974503 798120465 /nfs/dbraw/zinc/12/04/65/798120465.db2.gz LJCNEKUPHKQGPU-UHFFFAOYSA-N 1 1 308.729 2.244 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC001157265946 798173601 /nfs/dbraw/zinc/17/36/01/798173601.db2.gz MAHWRDQTLTXAOG-ABAIWWIYSA-N 1 1 313.361 2.068 20 5 DEBDMO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c2ccncc12 ZINC001160950941 798769295 /nfs/dbraw/zinc/76/92/95/798769295.db2.gz VISSPDMXQQHGJH-UHFFFAOYSA-N 1 1 322.328 2.311 20 5 DEBDMO O=[N+]([O-])c1cnc(Cl)nc1NCC[C@@H]1CC[NH2+]CC1(F)F ZINC001162807655 799180892 /nfs/dbraw/zinc/18/08/92/799180892.db2.gz HACSZYTUYQSIPJ-ZETCQYMHSA-N 1 1 321.715 2.085 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000932728135 799912340 /nfs/dbraw/zinc/91/23/40/799912340.db2.gz DAEOSNLRUCEUDA-LSDHHAIUSA-N 1 1 305.378 2.155 20 5 DEBDMO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000933290214 800062750 /nfs/dbraw/zinc/06/27/50/800062750.db2.gz PKBPVCXVMZLHDY-ZDUSSCGKSA-N 1 1 309.341 2.128 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000933490769 800109395 /nfs/dbraw/zinc/10/93/95/800109395.db2.gz FVBCDGWZWUJJPI-OYNZBZHQSA-N 1 1 317.389 2.297 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)cc1 ZINC000933669330 800156321 /nfs/dbraw/zinc/15/63/21/800156321.db2.gz FSPABWWSUDUNLO-HOCLYGCPSA-N 1 1 306.362 2.222 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)cc1 ZINC000933669330 800156322 /nfs/dbraw/zinc/15/63/22/800156322.db2.gz FSPABWWSUDUNLO-HOCLYGCPSA-N 1 1 306.362 2.222 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000933926179 800217414 /nfs/dbraw/zinc/21/74/14/800217414.db2.gz AYZQQLWNIFWWAJ-LBPRGKRZSA-N 1 1 323.368 2.125 20 5 DEBDMO C[C@H]1CSCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934302601 800317337 /nfs/dbraw/zinc/31/73/37/800317337.db2.gz WBRQJTZNDREFLI-NSHDSACASA-N 1 1 309.391 2.361 20 5 DEBDMO C[C@H]1CSCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934302601 800317340 /nfs/dbraw/zinc/31/73/40/800317340.db2.gz WBRQJTZNDREFLI-NSHDSACASA-N 1 1 309.391 2.361 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000935098061 800558890 /nfs/dbraw/zinc/55/88/90/800558890.db2.gz BZNNBLGSENBZBY-MRXNPFEDSA-N 1 1 317.389 2.352 20 5 DEBDMO C[N@H+]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000935173334 800583831 /nfs/dbraw/zinc/58/38/31/800583831.db2.gz KKYGMHDWPAVPPR-UHFFFAOYSA-N 1 1 323.368 2.219 20 5 DEBDMO C[N@H+]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000935174022 800584543 /nfs/dbraw/zinc/58/45/43/800584543.db2.gz XCVKSMQBJXMYNV-CABCVRRESA-N 1 1 317.389 2.251 20 5 DEBDMO Cc1ccc(O[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230492179 801405177 /nfs/dbraw/zinc/40/51/77/801405177.db2.gz KHOLHHLLLHDCTA-SNVBAGLBSA-N 1 1 318.289 2.402 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC001214500284 801722695 /nfs/dbraw/zinc/72/26/95/801722695.db2.gz CXFJAAHKDPJRMO-GFCCVEGCSA-N 1 1 306.366 2.461 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CCOc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233785067 802210543 /nfs/dbraw/zinc/21/05/43/802210543.db2.gz HBJWFQKOQSBXJQ-GFCCVEGCSA-N 1 1 317.345 2.243 20 5 DEBDMO CC[N@H+]1CCC[C@@H](OCc2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001223449247 802791278 /nfs/dbraw/zinc/79/12/78/802791278.db2.gz YHIXIXWLNGWUTM-CQSZACIVSA-N 1 1 322.361 2.382 20 5 DEBDMO COc1ccc(CO[C@@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC001223647988 802806714 /nfs/dbraw/zinc/80/67/14/802806714.db2.gz HBBPKKZCZRRRTE-GFCCVEGCSA-N 1 1 303.318 2.332 20 5 DEBDMO C[N@H+]1CC[C@H](Oc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001225504202 802974652 /nfs/dbraw/zinc/97/46/52/802974652.db2.gz NNKGYBNTWHEAFQ-VIFPVBQESA-N 1 1 301.140 2.440 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)n1 ZINC001526815977 1070354917 /nfs/dbraw/zinc/35/49/17/1070354917.db2.gz ZXAHSVFDQHIMGS-STQMWFEESA-N 1 1 320.393 2.291 20 5 DEBDMO O=C(Nc1cccc2c1C[N@H+](C1CC1)C2)c1cc([N+](=O)[O-])n[nH]1 ZINC001466606165 1059498860 /nfs/dbraw/zinc/49/88/60/1059498860.db2.gz SOWQJFNSIGHTJN-UHFFFAOYSA-N 1 1 313.317 2.048 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC001471789216 1060295950 /nfs/dbraw/zinc/29/59/50/1060295950.db2.gz XPVWXCOZNUWVSH-UHFFFAOYSA-N 1 1 316.361 2.346 20 5 DEBDMO Cn1cc([N+](=O)[O-])c(NCCC[N@H+]2CCc3ccccc3C2)n1 ZINC001472655558 1060564545 /nfs/dbraw/zinc/56/45/45/1060564545.db2.gz RLGFSBGCKBCVCZ-UHFFFAOYSA-N 1 1 315.377 2.189 20 5 DEBDMO CCCCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001508165682 1063589167 /nfs/dbraw/zinc/58/91/67/1063589167.db2.gz QFMIZEYTMTXYPJ-HUUCEWRRSA-N 1 1 323.437 2.203 20 5 DEBDMO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001617209689 1078141021 /nfs/dbraw/zinc/14/10/21/1078141021.db2.gz ZHKCNPPKQVZQPQ-MEBBXXQBSA-N 1 1 318.333 2.302 20 5 DEBDMO C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C[N@H+]2C1 ZINC001625754322 1078251026 /nfs/dbraw/zinc/25/10/26/1078251026.db2.gz IRVCLTQGXLNKQY-NTZNESFSSA-N 1 1 318.377 2.236 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001635815275 1078459364 /nfs/dbraw/zinc/45/93/64/1078459364.db2.gz OVEFHJDBMIWMHL-AWEZNQCLSA-N 1 1 305.378 2.363 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001635815276 1078459518 /nfs/dbraw/zinc/45/95/18/1078459518.db2.gz OVEFHJDBMIWMHL-CQSZACIVSA-N 1 1 305.378 2.363 20 5 DEBDMO Cc1[nH]c(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001638893310 1078586275 /nfs/dbraw/zinc/58/62/75/1078586275.db2.gz ULFNQPRJCRVCIU-KGLIPLIRSA-N 1 1 314.345 2.355 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C)CC2(C)C)c1C ZINC001639140673 1078597832 /nfs/dbraw/zinc/59/78/32/1078597832.db2.gz VJVBMEYOKNTVOT-ZDUSSCGKSA-N 1 1 305.378 2.282 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C(C)(C)C1 ZINC001639263178 1078603607 /nfs/dbraw/zinc/60/36/07/1078603607.db2.gz LDHDPXJRZRVJLK-AWEZNQCLSA-N 1 1 305.378 2.363 20 5 DEBDMO C[N@@H+](CCCC1CCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001571330650 1068227000 /nfs/dbraw/zinc/22/70/00/1068227000.db2.gz SHEFZASTTLPRKJ-HZPDHXFCSA-N 1 1 323.437 2.155 20 5 DEBDMO C[N@H+](CCCC1CCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001571330650 1068227014 /nfs/dbraw/zinc/22/70/14/1068227014.db2.gz SHEFZASTTLPRKJ-HZPDHXFCSA-N 1 1 323.437 2.155 20 5 DEBDMO C[N@@H+](CCCC1CCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001571330650 1068227026 /nfs/dbraw/zinc/22/70/26/1068227026.db2.gz SHEFZASTTLPRKJ-HZPDHXFCSA-N 1 1 323.437 2.155 20 5 DEBDMO Cc1cc(NC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001520384911 1069129985 /nfs/dbraw/zinc/12/99/85/1069129985.db2.gz WLLKUEHUZFDJEM-CYBMUJFWSA-N 1 1 306.366 2.461 20 5 DEBDMO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001543965883 1072513073 /nfs/dbraw/zinc/51/30/73/1072513073.db2.gz DLGAHTAHDZDLGG-LLVKDONJSA-N 1 1 323.780 2.144 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC[C@H]21 ZINC001329298490 1148882264 /nfs/dbraw/zinc/88/22/64/1148882264.db2.gz NJSKFHPNHTYRRF-BXUZGUMPSA-N 1 1 302.378 2.093 20 5 DEBDMO CCc1ccc(C(=O)NCc2c[nH+]c3n2CCC3)cc1[N+](=O)[O-] ZINC001558323878 1075089352 /nfs/dbraw/zinc/08/93/52/1075089352.db2.gz AJBSSDHRUOVVBI-UHFFFAOYSA-N 1 1 314.345 2.230 20 5 DEBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590309995 1076608870 /nfs/dbraw/zinc/60/88/70/1076608870.db2.gz RRNWBFRVYWPZME-OUAUKWLOSA-N 1 1 316.365 2.251 20 5 DEBDMO CSc1cccc(C(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC001597313391 1077092600 /nfs/dbraw/zinc/09/26/00/1077092600.db2.gz LVVJQQVINBKBMJ-GFCCVEGCSA-N 1 1 323.418 2.387 20 5 DEBDMO C[C@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609167814 1077782505 /nfs/dbraw/zinc/78/25/05/1077782505.db2.gz BUEHQDLZOJRWOP-UWVGGRQHSA-N 1 1 302.338 2.005 20 5 DEBDMO CC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001609200610 1077796656 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ZINC001254567367 1143251558 /nfs/dbraw/zinc/25/15/58/1143251558.db2.gz CIPHHARTZUESHS-HIFRSBDPSA-N 1 1 317.389 2.223 20 5 DEBDMO C[N@H+](Cc1nnc2ccccn21)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254594482 1143272518 /nfs/dbraw/zinc/27/25/18/1143272518.db2.gz RJMYZXJJDPMYQI-OAHLLOKOSA-N 1 1 323.356 2.237 20 5 DEBDMO C[N@@H+](Cc1nnc2ccccn21)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254594482 1143272526 /nfs/dbraw/zinc/27/25/26/1143272526.db2.gz RJMYZXJJDPMYQI-OAHLLOKOSA-N 1 1 323.356 2.237 20 5 DEBDMO COc1cc(N2CCC([NH2+]CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC001256083118 1143829181 /nfs/dbraw/zinc/82/91/81/1143829181.db2.gz MYLKQELCTBXWBM-UHFFFAOYSA-N 1 1 315.320 2.427 20 5 DEBDMO Cc1[nH]c(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC001303892860 1144207177 /nfs/dbraw/zinc/20/71/77/1144207177.db2.gz VZGLTERLUAJMPQ-UHFFFAOYSA-N 1 1 324.287 2.343 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)C1 ZINC001262365613 1144309571 /nfs/dbraw/zinc/30/95/71/1144309571.db2.gz HELWEHXNDCTCKH-HNNXBMFYSA-N 1 1 320.349 2.425 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000612485480 361840617 /nfs/dbraw/zinc/84/06/17/361840617.db2.gz SZQPIISCYFTWPF-NWDGAFQWSA-N 1 1 323.368 2.390 20 5 DEBDMO C[N@@H+](CCCc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517292 185300067 /nfs/dbraw/zinc/30/00/67/185300067.db2.gz CEYOXTTWYLGFDF-UHFFFAOYSA-N 1 1 315.373 2.321 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000092627229 185330212 /nfs/dbraw/zinc/33/02/12/185330212.db2.gz LAEWRTXTRVMLRO-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO CCOCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000181478670 199304175 /nfs/dbraw/zinc/30/41/75/199304175.db2.gz UYVFOUGAJQQVTB-UHFFFAOYSA-N 1 1 318.377 2.464 20 5 DEBDMO CC[C@]1(CO)CCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000189607390 282313996 /nfs/dbraw/zinc/31/39/96/282313996.db2.gz KFLVUNZJLFXUNF-OAHLLOKOSA-N 1 1 312.341 2.479 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272675296 210078811 /nfs/dbraw/zinc/07/88/11/210078811.db2.gz UNPPGAXCYAZMKP-ODINRWKCSA-N 1 1 315.373 2.161 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000616403980 362848054 /nfs/dbraw/zinc/84/80/54/362848054.db2.gz ATLIBEJZZGTQKM-LLVKDONJSA-N 1 1 321.377 2.078 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000616403980 362848059 /nfs/dbraw/zinc/84/80/59/362848059.db2.gz ATLIBEJZZGTQKM-LLVKDONJSA-N 1 1 321.377 2.078 20 5 DEBDMO CNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182025467 199376319 /nfs/dbraw/zinc/37/63/19/199376319.db2.gz OECNDPARWSACCU-UHFFFAOYSA-N 1 1 311.769 2.206 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC1CCOCC1 ZINC000155729979 186107702 /nfs/dbraw/zinc/10/77/02/186107702.db2.gz JWGXSXQTBQITBQ-UHFFFAOYSA-N 1 1 321.377 2.200 20 5 DEBDMO CC[C@@H](C)C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000171949064 198013517 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C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617724551 363235374 /nfs/dbraw/zinc/23/53/74/363235374.db2.gz QJKUUAQBYLQTND-IUODEOHRSA-N 1 1 317.389 2.299 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)cn1 ZINC000027231150 354090060 /nfs/dbraw/zinc/09/00/60/354090060.db2.gz KODGWDMFDXMLKY-UHFFFAOYSA-N 1 1 316.336 2.451 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000046878853 354295102 /nfs/dbraw/zinc/29/51/02/354295102.db2.gz RNENYELZVDCCOZ-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000047405031 354315695 /nfs/dbraw/zinc/31/56/95/354315695.db2.gz IMXLYYNVSVNWLX-SNVBAGLBSA-N 1 1 309.395 2.448 20 5 DEBDMO C[N@@H+](CCNC(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000054281602 354457774 /nfs/dbraw/zinc/45/77/74/354457774.db2.gz SUERUNSAIQBOKG-UHFFFAOYSA-N 1 1 313.357 2.457 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056334771 354529150 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C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000076691241 355161827 /nfs/dbraw/zinc/16/18/27/355161827.db2.gz ULLAEPFKRTYIEW-CYBMUJFWSA-N 1 1 315.377 2.039 20 5 DEBDMO CCCNC(=O)C[N@@H+](CCC)CCc1ccc([N+](=O)[O-])cc1 ZINC000077211986 355188761 /nfs/dbraw/zinc/18/87/61/355188761.db2.gz CUFBCKQONHRVAW-UHFFFAOYSA-N 1 1 307.394 2.376 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000078583572 355269227 /nfs/dbraw/zinc/26/92/27/355269227.db2.gz HXCKKMQUZHALDF-JTQLQIEISA-N 1 1 309.395 2.082 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083446408 355467391 /nfs/dbraw/zinc/46/73/91/355467391.db2.gz LGCMVTFDYWSBJO-UHFFFAOYSA-N 1 1 317.349 2.101 20 5 DEBDMO C[C@H](O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000089928091 355547398 /nfs/dbraw/zinc/54/73/98/355547398.db2.gz NZNKUUPUQXTERH-QWHCGFSZSA-N 1 1 321.377 2.016 20 5 DEBDMO O=[N+]([O-])c1cnn(CCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000090539292 355563272 /nfs/dbraw/zinc/56/32/72/355563272.db2.gz LSURFDRTGZRXPP-UHFFFAOYSA-N 1 1 321.425 2.178 20 5 DEBDMO CC[C@H](C)[N@H+](CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595602540 358497657 /nfs/dbraw/zinc/49/76/57/358497657.db2.gz WRGJRXIYZJNVLM-LBPRGKRZSA-N 1 1 314.407 2.489 20 5 DEBDMO CC[C@H](C)[N@@H+](CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595602540 358497659 /nfs/dbraw/zinc/49/76/59/358497659.db2.gz WRGJRXIYZJNVLM-LBPRGKRZSA-N 1 1 314.407 2.489 20 5 DEBDMO C[N@@H+](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000104792672 355718459 /nfs/dbraw/zinc/71/84/59/355718459.db2.gz LHXGPSYMOLRKTF-UHFFFAOYSA-N 1 1 320.393 2.268 20 5 DEBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136992669 355868891 /nfs/dbraw/zinc/86/88/91/355868891.db2.gz FKIAESUYJZGINB-NSHDSACASA-N 1 1 323.780 2.462 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000141389674 355889912 /nfs/dbraw/zinc/88/99/12/355889912.db2.gz DFBKKAJPULUNHK-LBPRGKRZSA-N 1 1 307.325 2.044 20 5 DEBDMO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185222922 356204929 /nfs/dbraw/zinc/20/49/29/356204929.db2.gz GXXALBKZTDUJSR-NWDGAFQWSA-N 1 1 323.368 2.295 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCn4c[nH+]cc4C3)n2)o1 ZINC000351143244 356621643 /nfs/dbraw/zinc/62/16/43/356621643.db2.gz FTQNJZCIKZMGRY-QMMMGPOBSA-N 1 1 301.262 2.164 20 5 DEBDMO CCOc1cc(C[N@@H+](C)C[C@@H](C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000276886785 213154896 /nfs/dbraw/zinc/15/48/96/213154896.db2.gz JNEKXFZADCLGMA-LLVKDONJSA-N 1 1 310.350 2.234 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000584700408 357292942 /nfs/dbraw/zinc/29/29/42/357292942.db2.gz KDQRZEOAAGCCJW-IUODEOHRSA-N 1 1 302.378 2.443 20 5 DEBDMO CC[N@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000588068910 357392189 /nfs/dbraw/zinc/39/21/89/357392189.db2.gz OESDRYIOQWDSBF-LLVKDONJSA-N 1 1 301.350 2.068 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000588823589 357427015 /nfs/dbraw/zinc/42/70/15/357427015.db2.gz JBUPUOVKUASIFY-QWHCGFSZSA-N 1 1 307.398 2.040 20 5 DEBDMO Cc1cc(NCCCN2CCC[N@H+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000589685875 357489436 /nfs/dbraw/zinc/48/94/36/357489436.db2.gz ZDSXDWYUCNULCY-UHFFFAOYSA-N 1 1 324.400 2.482 20 5 DEBDMO Cc1cc(NCCC[N@H+]2CCCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000589685875 357489438 /nfs/dbraw/zinc/48/94/38/357489438.db2.gz ZDSXDWYUCNULCY-UHFFFAOYSA-N 1 1 324.400 2.482 20 5 DEBDMO Cc1cc(NCCC[N@@H+]2CCCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000589685875 357489439 /nfs/dbraw/zinc/48/94/39/357489439.db2.gz ZDSXDWYUCNULCY-UHFFFAOYSA-N 1 1 324.400 2.482 20 5 DEBDMO C[C@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000590083699 357516876 /nfs/dbraw/zinc/51/68/76/357516876.db2.gz IECSLOMFNIVMPG-NHYWBVRUSA-N 1 1 316.361 2.274 20 5 DEBDMO C[C@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000590083699 357516877 /nfs/dbraw/zinc/51/68/77/357516877.db2.gz IECSLOMFNIVMPG-NHYWBVRUSA-N 1 1 316.361 2.274 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000590913241 357642332 /nfs/dbraw/zinc/64/23/32/357642332.db2.gz MECVJRCSQOUPIV-OCCSQVGLSA-N 1 1 320.393 2.391 20 5 DEBDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000611938861 540268762 /nfs/dbraw/zinc/26/87/62/540268762.db2.gz AALAQKGAYYCWCG-LLVKDONJSA-N 1 1 314.345 2.248 20 5 DEBDMO CC(=O)N1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000179810831 199083205 /nfs/dbraw/zinc/08/32/05/199083205.db2.gz BPGIWZOCASRKOB-QPJJXVBHSA-N 1 1 303.362 2.162 20 5 DEBDMO CC(=O)N1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000179810831 199083206 /nfs/dbraw/zinc/08/32/06/199083206.db2.gz BPGIWZOCASRKOB-QPJJXVBHSA-N 1 1 303.362 2.162 20 5 DEBDMO [NH3+]C[C@]12CCC[C@H]1CN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000593729054 358131134 /nfs/dbraw/zinc/13/11/34/358131134.db2.gz DNUOKMLLDSNTAB-BBRMVZONSA-N 1 1 305.378 2.034 20 5 DEBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(F)c(F)c(F)c1 ZINC000180489142 199165769 /nfs/dbraw/zinc/16/57/69/199165769.db2.gz YEXUPZORNWNMTO-UHFFFAOYSA-N 1 1 314.267 2.341 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(F)c(F)c(F)c1 ZINC000180489142 199165771 /nfs/dbraw/zinc/16/57/71/199165771.db2.gz YEXUPZORNWNMTO-UHFFFAOYSA-N 1 1 314.267 2.341 20 5 DEBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594197140 358221709 /nfs/dbraw/zinc/22/17/09/358221709.db2.gz AHFSODDXVGKGLH-GDBMZVCRSA-N 1 1 317.389 2.270 20 5 DEBDMO NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594599271 358301566 /nfs/dbraw/zinc/30/15/66/358301566.db2.gz IQKXWZCVDXBRKO-QWHCGFSZSA-N 1 1 318.377 2.123 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000595012106 358377792 /nfs/dbraw/zinc/37/77/92/358377792.db2.gz NQJNRJSHUDZPMG-RYUDHWBXSA-N 1 1 305.378 2.491 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000595012106 358377793 /nfs/dbraw/zinc/37/77/93/358377793.db2.gz NQJNRJSHUDZPMG-RYUDHWBXSA-N 1 1 305.378 2.491 20 5 DEBDMO Cc1noc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595437701 358448284 /nfs/dbraw/zinc/44/82/84/358448284.db2.gz IDFULVARRSQOGL-GWCFXTLKSA-N 1 1 305.334 2.145 20 5 DEBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000595833120 358559267 /nfs/dbraw/zinc/55/92/67/358559267.db2.gz RVEASSDWUIXLNU-AWEZNQCLSA-N 1 1 303.362 2.039 20 5 DEBDMO C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@H+]1CCC[C@H](C)C1 ZINC000596076652 358604607 /nfs/dbraw/zinc/60/46/07/358604607.db2.gz BKOKXPAWXDBOJI-NWDGAFQWSA-N 1 1 320.393 2.226 20 5 DEBDMO Cc1cc(NC2CC[NH+](CCN(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596075545 358604667 /nfs/dbraw/zinc/60/46/67/358604667.db2.gz GVBPGCJMGWTVQS-UHFFFAOYSA-N 1 1 312.439 2.403 20 5 DEBDMO C[N@@H+]1CCO[C@@H](CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000596097383 358610462 /nfs/dbraw/zinc/61/04/62/358610462.db2.gz NBRRJWHBUIPCPC-JTQLQIEISA-N 1 1 319.283 2.356 20 5 DEBDMO C[N@H+]1CCO[C@@H](CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000596097383 358610464 /nfs/dbraw/zinc/61/04/64/358610464.db2.gz NBRRJWHBUIPCPC-JTQLQIEISA-N 1 1 319.283 2.356 20 5 DEBDMO CN(Cc1cnc[nH]1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000596311778 358665185 /nfs/dbraw/zinc/66/51/85/358665185.db2.gz FLBXWENUPXVZGR-UHFFFAOYSA-N 1 1 301.228 2.368 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000596337117 358669591 /nfs/dbraw/zinc/66/95/91/358669591.db2.gz UJXRDONPWHSLHO-JTQLQIEISA-N 1 1 322.365 2.061 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000597860031 359025492 /nfs/dbraw/zinc/02/54/92/359025492.db2.gz KHGMZWNPIBZOPF-LLVKDONJSA-N 1 1 320.393 2.027 20 5 DEBDMO COc1cccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597924850 359043100 /nfs/dbraw/zinc/04/31/00/359043100.db2.gz SYLWGPSNOMXXCW-LLVKDONJSA-N 1 1 321.377 2.206 20 5 DEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000597716657 358987237 /nfs/dbraw/zinc/98/72/37/358987237.db2.gz RHQCIQPVPLQKQO-MRXNPFEDSA-N 1 1 321.352 2.292 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598342551 359170751 /nfs/dbraw/zinc/17/07/51/359170751.db2.gz KKZBHQUFCCXFKX-NSHDSACASA-N 1 1 311.769 2.462 20 5 DEBDMO COc1cc(C[NH2+]Cc2ccc[nH]c2=O)c([N+](=O)[O-])cc1OC ZINC000599005117 359381324 /nfs/dbraw/zinc/38/13/24/359381324.db2.gz BQKXWCVGJBCSJU-UHFFFAOYSA-N 1 1 319.317 2.002 20 5 DEBDMO Cc1ncccc1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000598996159 359379014 /nfs/dbraw/zinc/37/90/14/359379014.db2.gz MJTXOLUPWRKWNR-UHFFFAOYSA-N 1 1 315.329 2.359 20 5 DEBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000599198956 359430910 /nfs/dbraw/zinc/43/09/10/359430910.db2.gz CKLWSLSQQNASPV-JTQLQIEISA-N 1 1 319.283 2.092 20 5 DEBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC2(C)COC2)cccc1[N+](=O)[O-] ZINC000599571630 359530001 /nfs/dbraw/zinc/53/00/01/359530001.db2.gz OHLAURIHGXGOGJ-GFCCVEGCSA-N 1 1 321.377 2.199 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600314175 359719995 /nfs/dbraw/zinc/71/99/95/359719995.db2.gz MHVVTNCQOPUFNH-CYBMUJFWSA-N 1 1 305.378 2.365 20 5 DEBDMO CC[N@H+](CC(N)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000188059062 200188141 /nfs/dbraw/zinc/18/81/41/200188141.db2.gz NXGDYAHWROCUTP-UHFFFAOYSA-N 1 1 303.318 2.162 20 5 DEBDMO CC[N@@H+](CC(N)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000188059062 200188143 /nfs/dbraw/zinc/18/81/43/200188143.db2.gz NXGDYAHWROCUTP-UHFFFAOYSA-N 1 1 303.318 2.162 20 5 DEBDMO CC(C)Oc1nc(N2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000601186675 359956306 /nfs/dbraw/zinc/95/63/06/359956306.db2.gz UTNZPLFLBATZEX-UHFFFAOYSA-N 1 1 308.382 2.307 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000601145199 359940351 /nfs/dbraw/zinc/94/03/51/359940351.db2.gz RZGBEWLZLWJVBO-LLVKDONJSA-N 1 1 315.255 2.080 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601259879 359984433 /nfs/dbraw/zinc/98/44/33/359984433.db2.gz FGWOQOUZORJDHB-LLVKDONJSA-N 1 1 309.341 2.148 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601454324 360044809 /nfs/dbraw/zinc/04/48/09/360044809.db2.gz YZSMOYRTEXLENU-LLVKDONJSA-N 1 1 309.341 2.337 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)Cn2cc[nH+]c2C2CC2)c1 ZINC000601958732 360208467 /nfs/dbraw/zinc/20/84/67/360208467.db2.gz JYKCKMFADGWGGA-CYBMUJFWSA-N 1 1 303.318 2.109 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000602516780 360413825 /nfs/dbraw/zinc/41/38/25/360413825.db2.gz RDJISQLHPNHPTF-RYUDHWBXSA-N 1 1 316.361 2.452 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000602789197 360555689 /nfs/dbraw/zinc/55/56/89/360555689.db2.gz SPAMEGOBCQNEJP-QWHCGFSZSA-N 1 1 310.423 2.460 20 5 DEBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602783324 360551328 /nfs/dbraw/zinc/55/13/28/360551328.db2.gz KWIJFXZKLLUPBY-WFASDCNBSA-N 1 1 310.398 2.235 20 5 DEBDMO CC[C@]1(O)CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602983987 360655628 /nfs/dbraw/zinc/65/56/28/360655628.db2.gz YVFBGTCDSGMCHQ-INIZCTEOSA-N 1 1 321.377 2.160 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCCO)C1CC1 ZINC000609846131 361343200 /nfs/dbraw/zinc/34/32/00/361343200.db2.gz DJCTYHFWHIAQQY-UHFFFAOYSA-N 1 1 321.377 2.079 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CCO)C1 ZINC000609848942 361344665 /nfs/dbraw/zinc/34/46/65/361344665.db2.gz QLWWVEPOLMXUFO-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CCO)C1 ZINC000609848942 361344671 /nfs/dbraw/zinc/34/46/71/361344671.db2.gz QLWWVEPOLMXUFO-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO Cc1cc[nH+]c(N2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000610808878 361470081 /nfs/dbraw/zinc/47/00/81/361470081.db2.gz MMYODRAAWFPGBJ-UHFFFAOYSA-N 1 1 313.361 2.328 20 5 DEBDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194045915 201168363 /nfs/dbraw/zinc/16/83/63/201168363.db2.gz SMBHCJSGQVBRMC-LLVKDONJSA-N 1 1 309.322 2.361 20 5 DEBDMO CCOC(=O)c1cc(N2CC[N@@H+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000611084793 361524585 /nfs/dbraw/zinc/52/45/85/361524585.db2.gz UEQHLTMMPXMQRT-LBPRGKRZSA-N 1 1 321.377 2.302 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1C ZINC000611087774 361524683 /nfs/dbraw/zinc/52/46/83/361524683.db2.gz JEWZKOKIRIRKAO-LLVKDONJSA-N 1 1 316.361 2.242 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1C ZINC000611087774 361524692 /nfs/dbraw/zinc/52/46/92/361524692.db2.gz JEWZKOKIRIRKAO-LLVKDONJSA-N 1 1 316.361 2.242 20 5 DEBDMO CC[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000611092093 361525143 /nfs/dbraw/zinc/52/51/43/361525143.db2.gz IPOGNVZWRFYZJW-LLVKDONJSA-N 1 1 304.350 2.262 20 5 DEBDMO CC[N@@H+](C[C@H]1CCOC1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611205156 361548683 /nfs/dbraw/zinc/54/86/83/361548683.db2.gz KDGZTBYQIDLAGT-CHWSQXEVSA-N 1 1 321.377 2.280 20 5 DEBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000611560856 361632159 /nfs/dbraw/zinc/63/21/59/361632159.db2.gz RBPZKCGMEINLNH-AWEZNQCLSA-N 1 1 318.377 2.026 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC=CCC1 ZINC000611517631 361621075 /nfs/dbraw/zinc/62/10/75/361621075.db2.gz YXILKFMBCGEHDE-UHFFFAOYSA-N 1 1 305.334 2.194 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1cccn1C ZINC000611568513 361635115 /nfs/dbraw/zinc/63/51/15/361635115.db2.gz RFRQWFAJJZFRRO-AWEZNQCLSA-N 1 1 303.366 2.275 20 5 DEBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1c([N+](=O)[O-])ncn1C ZINC000271753419 209183694 /nfs/dbraw/zinc/18/36/94/209183694.db2.gz CEZJEQDQQJKGBJ-GFCCVEGCSA-N 1 1 303.366 2.261 20 5 DEBDMO CO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000451579650 243149437 /nfs/dbraw/zinc/14/94/37/243149437.db2.gz YTGAVUGMYMXXSR-IINYFYTJSA-N 1 1 304.350 2.328 20 5 DEBDMO CO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000451579650 243149443 /nfs/dbraw/zinc/14/94/43/243149443.db2.gz YTGAVUGMYMXXSR-IINYFYTJSA-N 1 1 304.350 2.328 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000093482634 193258881 /nfs/dbraw/zinc/25/88/81/193258881.db2.gz WRCUHSUKUOPXTP-DGCLKSJQSA-N 1 1 324.377 2.347 20 5 DEBDMO COc1cc(C[N@H+](C)CCSC)c([N+](=O)[O-])cc1OC ZINC000093509512 193262173 /nfs/dbraw/zinc/26/21/73/193262173.db2.gz WPSOKJAFLNCFHG-UHFFFAOYSA-N 1 1 300.380 2.407 20 5 DEBDMO COc1cc(C[N@@H+](C)CCSC)c([N+](=O)[O-])cc1OC ZINC000093509512 193262174 /nfs/dbraw/zinc/26/21/74/193262174.db2.gz WPSOKJAFLNCFHG-UHFFFAOYSA-N 1 1 300.380 2.407 20 5 DEBDMO COC(=O)CC1(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282476197 217023009 /nfs/dbraw/zinc/02/30/09/217023009.db2.gz OHMPEXCDNMPQQT-UHFFFAOYSA-N 1 1 306.362 2.412 20 5 DEBDMO CCCCOCCNC(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271699429 209137209 /nfs/dbraw/zinc/13/72/09/209137209.db2.gz HDPYXJMIHCFJKJ-CYBMUJFWSA-N 1 1 323.393 2.178 20 5 DEBDMO C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454640380 246015923 /nfs/dbraw/zinc/01/59/23/246015923.db2.gz KCBKOIHFTMLWLI-AAEUAGOBSA-N 1 1 318.377 2.192 20 5 DEBDMO COc1ccc(NC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000455106532 246383853 /nfs/dbraw/zinc/38/38/53/246383853.db2.gz RZTKXSCRYCJMIA-PHIMTYICSA-N 1 1 322.365 2.160 20 5 DEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000267973973 206369801 /nfs/dbraw/zinc/36/98/01/206369801.db2.gz VWJDQEMHPJYNJX-CVEARBPZSA-N 1 1 317.389 2.270 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000268015656 206397700 /nfs/dbraw/zinc/39/77/00/206397700.db2.gz HXMFZYITELFABZ-ZDUSSCGKSA-N 1 1 304.325 2.420 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458223479 248214798 /nfs/dbraw/zinc/21/47/98/248214798.db2.gz RCYVYKHWCSGCLV-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000492341379 249043203 /nfs/dbraw/zinc/04/32/03/249043203.db2.gz 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196383710 /nfs/dbraw/zinc/38/37/10/196383710.db2.gz XALDYHUDOPLUSG-AWEZNQCLSA-N 1 1 323.393 2.181 20 5 DEBDMO C[C@@H]1C[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000422624990 230156936 /nfs/dbraw/zinc/15/69/36/230156936.db2.gz AGUISUWXPPPBLA-RDBSUJKOSA-N 1 1 307.394 2.279 20 5 DEBDMO Cc1cc(NC[C@H]2CC[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596558835 425027113 /nfs/dbraw/zinc/02/71/13/425027113.db2.gz TXKIIZBPBXWPQV-OAHLLOKOSA-N 1 1 312.373 2.985 20 5 DEBDMO Cc1nc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596569631 425027686 /nfs/dbraw/zinc/02/76/86/425027686.db2.gz AKAZTHNRQUALAJ-CQSZACIVSA-N 1 1 304.394 2.832 20 5 DEBDMO C[C@H]1C[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000450353694 425070125 /nfs/dbraw/zinc/07/01/25/425070125.db2.gz GHLVRKVXNBBHNB-WCQYABFASA-N 1 1 300.362 3.038 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000430192107 269125803 /nfs/dbraw/zinc/12/58/03/269125803.db2.gz AADBQOZAGPDUCA-HNNXBMFYSA-N 1 1 302.330 2.427 20 5 DEBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430206605 269126715 /nfs/dbraw/zinc/12/67/15/269126715.db2.gz XIEJQIPXBCSZMO-LLVKDONJSA-N 1 1 310.350 2.377 20 5 DEBDMO CNc1ccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000518480663 269399049 /nfs/dbraw/zinc/39/90/49/269399049.db2.gz VXGYKKSNKAQJAJ-GFCCVEGCSA-N 1 1 320.393 2.098 20 5 DEBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)cs1 ZINC000288623934 275033127 /nfs/dbraw/zinc/03/31/27/275033127.db2.gz SATUJJUARKDBCC-SMDDNHRTSA-N 1 1 306.343 2.241 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000357325114 276075272 /nfs/dbraw/zinc/07/52/72/276075272.db2.gz STQBOIMNBQXTML-GFCCVEGCSA-N 1 1 315.377 2.316 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CC[C@@H]21 ZINC000133619603 277085015 /nfs/dbraw/zinc/08/50/15/277085015.db2.gz MEFORXURZZVHNG-QWRGUYRKSA-N 1 1 321.406 2.225 20 5 DEBDMO CN1CC[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451548793 277163915 /nfs/dbraw/zinc/16/39/15/277163915.db2.gz OKZAHFLJFZWZPP-ZFWWWQNUSA-N 1 1 303.362 2.005 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272634261 277175627 /nfs/dbraw/zinc/17/56/27/277175627.db2.gz NMEZAQXYVGJZCH-IINYFYTJSA-N 1 1 323.780 2.414 20 5 DEBDMO CC(C)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000352927723 278024565 /nfs/dbraw/zinc/02/45/65/278024565.db2.gz AMUFAIGUVYKURX-LBPRGKRZSA-N 1 1 305.378 2.494 20 5 DEBDMO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000352927723 278024567 /nfs/dbraw/zinc/02/45/67/278024567.db2.gz AMUFAIGUVYKURX-LBPRGKRZSA-N 1 1 305.378 2.494 20 5 DEBDMO Cc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000488711250 301339084 /nfs/dbraw/zinc/33/90/84/301339084.db2.gz HMLOYISLUXJHRF-MBNYWOFBSA-N 1 1 304.394 2.465 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001120726998 782094343 /nfs/dbraw/zinc/09/43/43/782094343.db2.gz OVMOBLIBQITMHP-LLVKDONJSA-N 1 1 311.769 2.462 20 5 DEBDMO Cc1nc(NCC[N@H+](C)Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000297616328 534487977 /nfs/dbraw/zinc/48/79/77/534487977.db2.gz WBJQOSJBWKTSQU-UHFFFAOYSA-N 1 1 319.340 2.376 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000106864848 524905736 /nfs/dbraw/zinc/90/57/36/524905736.db2.gz QETJVCNJMCXGPW-OLZOCXBDSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000106864848 524905746 /nfs/dbraw/zinc/90/57/46/524905746.db2.gz QETJVCNJMCXGPW-OLZOCXBDSA-N 1 1 321.377 2.077 20 5 DEBDMO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339192420 525418304 /nfs/dbraw/zinc/41/83/04/525418304.db2.gz DOQXDUDGKNOWMU-OCCSQVGLSA-N 1 1 305.378 2.359 20 5 DEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000377157151 534879771 /nfs/dbraw/zinc/87/97/71/534879771.db2.gz DHSYDOCBGUXMRH-AWEZNQCLSA-N 1 1 301.346 2.248 20 5 DEBDMO CCOc1cc(NCC[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000188499256 528327029 /nfs/dbraw/zinc/32/70/29/528327029.db2.gz YCSLVOXDJLWCHB-UHFFFAOYSA-N 1 1 309.366 2.128 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000452111121 535242414 /nfs/dbraw/zinc/24/24/14/535242414.db2.gz BIFDOBTUQZOCEM-HNNXBMFYSA-N 1 1 307.394 2.388 20 5 DEBDMO C[C@H]1C[C@@H](Nc2ccc3nonc3c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000892876885 625683034 /nfs/dbraw/zinc/68/30/34/625683034.db2.gz YPHOEFOYAFJLTG-DTWKUNHWSA-N 1 1 303.322 2.168 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000933172424 624112199 /nfs/dbraw/zinc/11/21/99/624112199.db2.gz KBBKLGCLOPHFDR-CHWSQXEVSA-N 1 1 322.361 2.247 20 5 DEBDMO COCC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])CC(C)C ZINC000891679068 624528717 /nfs/dbraw/zinc/52/87/17/624528717.db2.gz QOFLKTWHEALDPJ-UHFFFAOYSA-N 1 1 312.366 2.413 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)C[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000891948757 624675854 /nfs/dbraw/zinc/67/58/54/624675854.db2.gz LPBZOZIUOIMVON-NSHDSACASA-N 1 1 310.350 2.167 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000892081218 624774470 /nfs/dbraw/zinc/77/44/70/624774470.db2.gz WEXWBPHPRIRTSY-SNVBAGLBSA-N 1 1 305.338 2.273 20 5 DEBDMO C[N@@H+]1CC=C(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000893098724 625112230 /nfs/dbraw/zinc/11/22/30/625112230.db2.gz BXEPPXLHAAEQOZ-UHFFFAOYSA-N 1 1 316.336 2.378 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](CO)C2)c1Br ZINC000236505316 625135794 /nfs/dbraw/zinc/13/57/94/625135794.db2.gz FHGXFIMSHFAXSE-SECBINFHSA-N 1 1 315.167 2.172 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](CO)C2)c1Br ZINC000236505316 625135796 /nfs/dbraw/zinc/13/57/96/625135796.db2.gz FHGXFIMSHFAXSE-SECBINFHSA-N 1 1 315.167 2.172 20 5 DEBDMO Cc1nn(C[NH+]2CCC(C)(O)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000179548679 625799613 /nfs/dbraw/zinc/79/96/13/625799613.db2.gz HQMATWDMYWCXCA-UHFFFAOYSA-N 1 1 304.350 2.057 20 5 DEBDMO CC[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCCC1 ZINC000123983819 633125323 /nfs/dbraw/zinc/12/53/23/633125323.db2.gz OTDRKLFZOSNCKG-UHFFFAOYSA-N 1 1 317.345 2.413 20 5 DEBDMO CC[N@@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCCC1 ZINC000123983819 633125327 /nfs/dbraw/zinc/12/53/27/633125327.db2.gz OTDRKLFZOSNCKG-UHFFFAOYSA-N 1 1 317.345 2.413 20 5 DEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000836947609 650147281 /nfs/dbraw/zinc/14/72/81/650147281.db2.gz JNOJKFAMOIWBEE-LBPRGKRZSA-N 1 1 309.341 2.290 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000836947609 650147284 /nfs/dbraw/zinc/14/72/84/650147284.db2.gz JNOJKFAMOIWBEE-LBPRGKRZSA-N 1 1 309.341 2.290 20 5 DEBDMO CCC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981565954 635533853 /nfs/dbraw/zinc/53/38/53/635533853.db2.gz OOVYJGOZCCGWLK-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000922167393 635962564 /nfs/dbraw/zinc/96/25/64/635962564.db2.gz SJYCYBNNKVCWCR-VIFPVBQESA-N 1 1 315.732 2.211 20 5 DEBDMO C[C@H](NC(=O)NCC[N@H+]1CC[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000894016179 636093024 /nfs/dbraw/zinc/09/30/24/636093024.db2.gz NHINKPPMXNREJU-OLZOCXBDSA-N 1 1 320.393 2.297 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)CCCSC)c1[N+](=O)[O-] ZINC000894246298 636546729 /nfs/dbraw/zinc/54/67/29/636546729.db2.gz QVIOZSORGJLVNW-UHFFFAOYSA-N 1 1 300.380 2.494 20 5 DEBDMO Cc1ccc(CNC[C@H]2CC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000922952384 636875757 /nfs/dbraw/zinc/87/57/57/636875757.db2.gz XRGCQWWFODZEAG-MRXNPFEDSA-N 1 1 319.405 2.246 20 5 DEBDMO Cc1ccc(CNC[C@H]2CC[N@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000922952384 636875759 /nfs/dbraw/zinc/87/57/59/636875759.db2.gz XRGCQWWFODZEAG-MRXNPFEDSA-N 1 1 319.405 2.246 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C)CCCn2ccnc2)c1[N+](=O)[O-] ZINC000894476674 637062376 /nfs/dbraw/zinc/06/23/76/637062376.db2.gz SGZAQNSDRQYYLZ-UHFFFAOYSA-N 1 1 320.349 2.028 20 5 DEBDMO C[N@H+]1C[C@@]2(C)CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894797016 637212632 /nfs/dbraw/zinc/21/26/32/637212632.db2.gz HSXYSZCJHFNKPM-OKILXGFUSA-N 1 1 310.785 2.421 20 5 DEBDMO C[C@H]1[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928435415 637228788 /nfs/dbraw/zinc/22/87/88/637228788.db2.gz RWYYDNBMNCQMNV-WCQYABFASA-N 1 1 305.378 2.081 20 5 DEBDMO C/C(=C\C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928436077 637230390 /nfs/dbraw/zinc/23/03/90/637230390.db2.gz IKMBJQRCCMWGNU-QBEHZEROSA-N 1 1 303.362 2.207 20 5 DEBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000928443054 637244353 /nfs/dbraw/zinc/24/43/53/637244353.db2.gz XMZUJJPQQAGACH-PKFCDNJMSA-N 1 1 309.341 2.046 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000895099441 637556607 /nfs/dbraw/zinc/55/66/07/637556607.db2.gz HMFFLXYFEXFATJ-TXEJJXNPSA-N 1 1 315.377 2.457 20 5 DEBDMO O=C(OCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673849 650346631 /nfs/dbraw/zinc/34/66/31/650346631.db2.gz BCHGHBAAQZUOCB-HZPDHXFCSA-N 1 1 318.373 2.381 20 5 DEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000340853992 637683160 /nfs/dbraw/zinc/68/31/60/637683160.db2.gz KKYVINJOSACYKX-LBPRGKRZSA-N 1 1 318.381 2.237 20 5 DEBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000928562079 637703298 /nfs/dbraw/zinc/70/32/98/637703298.db2.gz DJSBLTOMOHSUGZ-SECBINFHSA-N 1 1 317.267 2.048 20 5 DEBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000928562079 637703301 /nfs/dbraw/zinc/70/33/01/637703301.db2.gz DJSBLTOMOHSUGZ-SECBINFHSA-N 1 1 317.267 2.048 20 5 DEBDMO CC(=O)c1ccc(N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000895193326 637779224 /nfs/dbraw/zinc/77/92/24/637779224.db2.gz URGDJBNAVSGWDO-UONOGXRCSA-N 1 1 303.362 2.470 20 5 DEBDMO Cc1cc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)ncc1[N+](=O)[O-] ZINC000895565618 638092032 /nfs/dbraw/zinc/09/20/32/638092032.db2.gz AYCVXQDKZWQSPY-AAEUAGOBSA-N 1 1 308.407 2.290 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)C)CC2)c1C ZINC000895646814 638124683 /nfs/dbraw/zinc/12/46/83/638124683.db2.gz NOUKOABXDXGHCS-UHFFFAOYSA-N 1 1 305.378 2.378 20 5 DEBDMO O=C1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CN1CC1CC1 ZINC000896036899 638325967 /nfs/dbraw/zinc/32/59/67/638325967.db2.gz YHCIIDXNOIPFEV-ZDUSSCGKSA-N 1 1 323.780 2.349 20 5 DEBDMO O=[N+]([O-])c1c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2ccccn21 ZINC000727827050 638404233 /nfs/dbraw/zinc/40/42/33/638404233.db2.gz SVIIVKSHCIDIRZ-NSHDSACASA-N 1 1 312.333 2.350 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000896666177 638634334 /nfs/dbraw/zinc/63/43/34/638634334.db2.gz DCMKASSDJHVPCL-AAEUAGOBSA-N 1 1 305.378 2.424 20 5 DEBDMO Cc1nn(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749953941 638697879 /nfs/dbraw/zinc/69/78/79/638697879.db2.gz GXMMINQYUBMFGD-QWRGUYRKSA-N 1 1 321.406 2.431 20 5 DEBDMO Cc1nn(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749953941 638697881 /nfs/dbraw/zinc/69/78/81/638697881.db2.gz GXMMINQYUBMFGD-QWRGUYRKSA-N 1 1 321.406 2.431 20 5 DEBDMO CCOc1cc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000896914969 639071343 /nfs/dbraw/zinc/07/13/43/639071343.db2.gz SDMVASVSPDRZHT-BLLLJJGKSA-N 1 1 305.378 2.381 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000754783008 639473145 /nfs/dbraw/zinc/47/31/45/639473145.db2.gz LAUSSIAPJZOQQZ-CQSZACIVSA-N 1 1 308.382 2.114 20 5 DEBDMO COC1CC[NH+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000761280068 640294193 /nfs/dbraw/zinc/29/41/93/640294193.db2.gz LNAZEWAXCNVYDB-UHFFFAOYSA-N 1 1 304.350 2.321 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000765632593 640803054 /nfs/dbraw/zinc/80/30/54/640803054.db2.gz ATBINSIQWDUIIT-MNOVXSKESA-N 1 1 308.338 2.422 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1C ZINC000897800828 640937222 /nfs/dbraw/zinc/93/72/22/640937222.db2.gz CFDJVHBBUZKDKR-KGLIPLIRSA-N 1 1 317.389 2.235 20 5 DEBDMO CC[N@H+](CC(C)C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000193395901 641134520 /nfs/dbraw/zinc/13/45/20/641134520.db2.gz BISAUGIIEPWLMP-UHFFFAOYSA-N 1 1 305.334 2.126 20 5 DEBDMO CC[N@@H+](CC(C)C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000193395901 641134522 /nfs/dbraw/zinc/13/45/22/641134522.db2.gz BISAUGIIEPWLMP-UHFFFAOYSA-N 1 1 305.334 2.126 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@H+]1C ZINC000771402303 641506293 /nfs/dbraw/zinc/50/62/93/641506293.db2.gz DWVRYPBTDDSEDD-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000771402303 641506297 /nfs/dbraw/zinc/50/62/97/641506297.db2.gz DWVRYPBTDDSEDD-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000776274679 642152241 /nfs/dbraw/zinc/15/22/41/642152241.db2.gz BWQUJYWVWLRGHC-YQQAZPJKSA-N 1 1 320.389 2.377 20 5 DEBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@@H]1O ZINC000778247558 642360139 /nfs/dbraw/zinc/36/01/39/642360139.db2.gz XTOOYMSFANCNEI-KBMXLJTQSA-N 1 1 308.378 2.111 20 5 DEBDMO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000781394713 642746748 /nfs/dbraw/zinc/74/67/48/642746748.db2.gz QQJVTKAULQSIHH-LLVKDONJSA-N 1 1 301.350 2.305 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3ncsc3C2)c1 ZINC000782633023 642910062 /nfs/dbraw/zinc/91/00/62/642910062.db2.gz BTQITWRUYXTVQW-CYBMUJFWSA-N 1 1 305.359 2.143 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3ncsc3C2)c1 ZINC000782633023 642910066 /nfs/dbraw/zinc/91/00/66/642910066.db2.gz BTQITWRUYXTVQW-CYBMUJFWSA-N 1 1 305.359 2.143 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000783914661 643067533 /nfs/dbraw/zinc/06/75/33/643067533.db2.gz BLSBVRDDQBORNL-JTQLQIEISA-N 1 1 311.769 2.462 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000842836860 650835733 /nfs/dbraw/zinc/83/57/33/650835733.db2.gz RZRNARGWQDCYMB-LBPRGKRZSA-N 1 1 321.377 2.454 20 5 DEBDMO Cc1c(-c2noc(C[C@H]3CC[N@H+](C)C3)n2)cccc1[N+](=O)[O-] ZINC000904085847 643565414 /nfs/dbraw/zinc/56/54/14/643565414.db2.gz DWQWZGSTPWTIKH-LLVKDONJSA-N 1 1 302.334 2.447 20 5 DEBDMO CCC[N@H+]1CCC[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000907152020 644463537 /nfs/dbraw/zinc/46/35/37/644463537.db2.gz XLDVEKDRHZLYPR-HNNXBMFYSA-N 1 1 319.405 2.376 20 5 DEBDMO Cc1ccncc1C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796511636 644748209 /nfs/dbraw/zinc/74/82/09/644748209.db2.gz YZSZRFMRCDMSEC-INIZCTEOSA-N 1 1 301.346 2.464 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cc[nH+]c1C ZINC000908283324 644809202 /nfs/dbraw/zinc/80/92/02/644809202.db2.gz ZUXNPHSZINQAOO-UHFFFAOYSA-N 1 1 304.306 2.137 20 5 DEBDMO O=C(CCCC[NH+]1CCOCC1)OCc1ccc([N+](=O)[O-])cc1 ZINC000798193033 644980862 /nfs/dbraw/zinc/98/08/62/644980862.db2.gz TZNOSLIRXMAENH-UHFFFAOYSA-N 1 1 322.361 2.141 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910283307 645388838 /nfs/dbraw/zinc/38/88/38/645388838.db2.gz KVCLDZSQTWQHEC-CYBMUJFWSA-N 1 1 305.378 2.080 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000843777178 651028264 /nfs/dbraw/zinc/02/82/64/651028264.db2.gz CLHYJHBTUDNEFQ-SNVBAGLBSA-N 1 1 307.325 2.009 20 5 DEBDMO CC[N@@H+](CC1CC1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839996605 645631636 /nfs/dbraw/zinc/63/16/36/645631636.db2.gz NHSJTPZDYCUWAD-MRXNPFEDSA-N 1 1 319.361 2.221 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000843805946 651032752 /nfs/dbraw/zinc/03/27/52/651032752.db2.gz PYYOGDSLDOBODH-GXSJLCMTSA-N 1 1 309.341 2.255 20 5 DEBDMO CO[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000840125541 646008736 /nfs/dbraw/zinc/00/87/36/646008736.db2.gz MMHGKKXPYVPWHU-NHYWBVRUSA-N 1 1 304.350 2.259 20 5 DEBDMO COc1cc(CO[NH+]=C(N)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000809995756 646309720 /nfs/dbraw/zinc/30/97/20/646309720.db2.gz NHUDCKMPFDUQIT-UHFFFAOYSA-N 1 1 309.322 2.028 20 5 DEBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000913534024 646388517 /nfs/dbraw/zinc/38/85/17/646388517.db2.gz JKWCYBNPNTZMJZ-AOOOYVTPSA-N 1 1 309.753 2.167 20 5 DEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000913534024 646388522 /nfs/dbraw/zinc/38/85/22/646388522.db2.gz JKWCYBNPNTZMJZ-AOOOYVTPSA-N 1 1 309.753 2.167 20 5 DEBDMO COc1cc(C(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000810837592 646430391 /nfs/dbraw/zinc/43/03/91/646430391.db2.gz NNLDTFMDDDAHEN-CHWSQXEVSA-N 1 1 320.345 2.387 20 5 DEBDMO CNc1c(C(=O)O[C@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000810841057 646432083 /nfs/dbraw/zinc/43/20/83/646432083.db2.gz KDSDZAJLNLFTEE-NEPJUHHUSA-N 1 1 319.361 2.420 20 5 DEBDMO Cc1nn(C[N@H+](C(C)C)[C@@H]2CCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000812290232 646625472 /nfs/dbraw/zinc/62/54/72/646625472.db2.gz AWMBNQDIBYRCAF-GFCCVEGCSA-N 1 1 319.365 2.105 20 5 DEBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812848981 646704842 /nfs/dbraw/zinc/70/48/42/646704842.db2.gz FQRYRRGUXYZKJQ-CZUORRHYSA-N 1 1 318.377 2.235 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC2(CC1)OCCCO2 ZINC000815153527 646980711 /nfs/dbraw/zinc/98/07/11/646980711.db2.gz FGIHSKZZDWICKD-UHFFFAOYSA-N 1 1 310.325 2.463 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000817043827 647216172 /nfs/dbraw/zinc/21/61/72/647216172.db2.gz RGSIDEHAYPBSNV-INIZCTEOSA-N 1 1 321.352 2.210 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000152948609 647303485 /nfs/dbraw/zinc/30/34/85/647303485.db2.gz SAFNBCFCCKAZIQ-PWSUYJOCSA-N 1 1 321.352 2.397 20 5 DEBDMO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817906931 647377987 /nfs/dbraw/zinc/37/79/87/647377987.db2.gz HQDUWKPZDRADEP-PWSUYJOCSA-N 1 1 313.785 2.105 20 5 DEBDMO C[N@@H+](CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819017722 647565020 /nfs/dbraw/zinc/56/50/20/647565020.db2.gz KVMAXIOHRCATMT-MRXNPFEDSA-N 1 1 307.394 2.092 20 5 DEBDMO CN(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819017722 647565022 /nfs/dbraw/zinc/56/50/22/647565022.db2.gz KVMAXIOHRCATMT-MRXNPFEDSA-N 1 1 307.394 2.092 20 5 DEBDMO CC(C)C[N@@H+]1CC[C@@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819151409 647595287 /nfs/dbraw/zinc/59/52/87/647595287.db2.gz BLBRGCVXDYAPIH-WMLDXEAASA-N 1 1 321.421 2.196 20 5 DEBDMO CC(C)C[N@H+]1CC[C@@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819151409 647595293 /nfs/dbraw/zinc/59/52/93/647595293.db2.gz BLBRGCVXDYAPIH-WMLDXEAASA-N 1 1 321.421 2.196 20 5 DEBDMO C[NH+](C)[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000819909762 647739149 /nfs/dbraw/zinc/73/91/49/647739149.db2.gz HZDFTKFBCJIPIN-HNNXBMFYSA-N 1 1 314.345 2.418 20 5 DEBDMO O=C1N(C[NH+]2CCCCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154665741 648063970 /nfs/dbraw/zinc/06/39/70/648063970.db2.gz MVQCPHCYHOHNOM-UHFFFAOYSA-N 1 1 304.350 2.280 20 5 DEBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC000821705024 648093887 /nfs/dbraw/zinc/09/38/87/648093887.db2.gz GBVRDQMCNRELTK-LBPRGKRZSA-N 1 1 303.362 2.134 20 5 DEBDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825130465 648708709 /nfs/dbraw/zinc/70/87/09/648708709.db2.gz YKMYYMUHRKDRDX-ZWNOBZJWSA-N 1 1 314.769 2.220 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827374303 649025759 /nfs/dbraw/zinc/02/57/59/649025759.db2.gz MXNCJBABMHQKQU-GXFFZTMASA-N 1 1 323.780 2.414 20 5 DEBDMO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000830101868 649394487 /nfs/dbraw/zinc/39/44/87/649394487.db2.gz AALPPKOTUBSFTA-GHMZBOCLSA-N 1 1 321.160 2.405 20 5 DEBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000830734876 649489207 /nfs/dbraw/zinc/48/92/07/649489207.db2.gz NVXLOMQFGNGEEH-IUODEOHRSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000830734876 649489209 /nfs/dbraw/zinc/48/92/09/649489209.db2.gz NVXLOMQFGNGEEH-IUODEOHRSA-N 1 1 306.362 2.272 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1F ZINC000830823136 649501126 /nfs/dbraw/zinc/50/11/26/649501126.db2.gz MKLXJUHNLUEPQS-WOSRLPQWSA-N 1 1 324.352 2.096 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1F ZINC000832298935 649694045 /nfs/dbraw/zinc/69/40/45/649694045.db2.gz VIKQTTKLKIXJCF-SKDRFNHKSA-N 1 1 322.258 2.479 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1F ZINC000832298935 649694047 /nfs/dbraw/zinc/69/40/47/649694047.db2.gz VIKQTTKLKIXJCF-SKDRFNHKSA-N 1 1 322.258 2.479 20 5 DEBDMO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000844420532 651126057 /nfs/dbraw/zinc/12/60/57/651126057.db2.gz BSLOVZUBZFBHPN-DOMZBBRYSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000844420532 651126058 /nfs/dbraw/zinc/12/60/58/651126058.db2.gz BSLOVZUBZFBHPN-DOMZBBRYSA-N 1 1 306.362 2.272 20 5 DEBDMO CNc1ccc(C(=O)OC[C@@]23CC[N@@H+](C2)CCC3)cc1[N+](=O)[O-] ZINC000845790262 651282179 /nfs/dbraw/zinc/28/21/79/651282179.db2.gz ACBKPDNFOKQJTO-INIZCTEOSA-N 1 1 319.361 2.279 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000845816578 651285150 /nfs/dbraw/zinc/28/51/50/651285150.db2.gz WGHBYSNUAZIXHK-MNOVXSKESA-N 1 1 308.334 2.100 20 5 DEBDMO CC1(O)CC[NH+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848482060 651462478 /nfs/dbraw/zinc/46/24/78/651462478.db2.gz KYPKRNRCAVZNTC-UHFFFAOYSA-N 1 1 316.361 2.263 20 5 DEBDMO CC[C@@H]1CC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848489922 651463214 /nfs/dbraw/zinc/46/32/14/651463214.db2.gz KRTIRPDTGFKIHB-HIFRSBDPSA-N 1 1 303.362 2.353 20 5 DEBDMO CC[C@@H]1CC[N@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848489922 651463216 /nfs/dbraw/zinc/46/32/16/651463216.db2.gz 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GGZKFVBWSVJOIH-DOMZBBRYSA-N 1 1 318.377 2.325 20 5 DEBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318340422 1147813173 /nfs/dbraw/zinc/81/31/73/1147813173.db2.gz NYZIFDKINQNKCD-ZDUSSCGKSA-N 1 1 307.325 2.044 20 5 DEBDMO O=[N+]([O-])c1cnn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000278581030 214253811 /nfs/dbraw/zinc/25/38/11/214253811.db2.gz OTVVIZDOCVHEOI-MRXNPFEDSA-N 1 1 316.361 2.082 20 5 DEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000278770838 214388548 /nfs/dbraw/zinc/38/85/48/214388548.db2.gz WMWZLXQGRXBAAK-CQSZACIVSA-N 1 1 319.405 2.280 20 5 DEBDMO CCCO[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090530017 185300820 /nfs/dbraw/zinc/30/08/20/185300820.db2.gz SZFMCXIBMIMHED-HNNXBMFYSA-N 1 1 323.393 2.038 20 5 DEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000297477626 529730556 /nfs/dbraw/zinc/73/05/56/529730556.db2.gz SOMOWCKMJQSDTA-NSHDSACASA-N 1 1 306.366 2.230 20 5 DEBDMO CC[C@@H](C)[N@@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286728655 219133385 /nfs/dbraw/zinc/13/33/85/219133385.db2.gz BLSKIPDNFTZTSY-GFCCVEGCSA-N 1 1 309.366 2.016 20 5 DEBDMO C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000272736537 210141862 /nfs/dbraw/zinc/14/18/62/210141862.db2.gz LNXFHHFRFHXIKN-LBPRGKRZSA-N 1 1 318.377 2.044 20 5 DEBDMO C[C@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000330906721 232151934 /nfs/dbraw/zinc/15/19/34/232151934.db2.gz NFXUMJFEMXNCBJ-NWDGAFQWSA-N 1 1 323.418 2.286 20 5 DEBDMO C[N@@H+](CCCCCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000279685792 215061069 /nfs/dbraw/zinc/06/10/69/215061069.db2.gz HAKJQYAANQNTRH-UHFFFAOYSA-N 1 1 320.349 2.239 20 5 DEBDMO Cc1c(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000272632377 210035985 /nfs/dbraw/zinc/03/59/85/210035985.db2.gz BORCSYALANBPSM-LBPRGKRZSA-N 1 1 303.362 2.283 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCCCO ZINC000279715702 215085942 /nfs/dbraw/zinc/08/59/42/215085942.db2.gz LAUWODXALJVFSY-GFCCVEGCSA-N 1 1 309.366 2.016 20 5 DEBDMO COc1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272617916 210017795 /nfs/dbraw/zinc/01/77/95/210017795.db2.gz LLIWCCDUWHGAQV-UKRRQHHQSA-N 1 1 305.378 2.129 20 5 DEBDMO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279792039 215151660 /nfs/dbraw/zinc/15/16/60/215151660.db2.gz OKPGTEYTFRKZIP-STQMWFEESA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279792039 215151661 /nfs/dbraw/zinc/15/16/61/215151661.db2.gz OKPGTEYTFRKZIP-STQMWFEESA-N 1 1 321.377 2.159 20 5 DEBDMO Cc1ccnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000616765443 362931347 /nfs/dbraw/zinc/93/13/47/362931347.db2.gz NQPLYCZHTPJMBB-CYBMUJFWSA-N 1 1 313.361 2.380 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000072858472 191239857 /nfs/dbraw/zinc/23/98/57/191239857.db2.gz FHTANZRZMLEGOO-CQSZACIVSA-N 1 1 307.394 2.247 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC(C[NH+](C)C)CC1 ZINC000330518917 282885247 /nfs/dbraw/zinc/88/52/47/282885247.db2.gz NIJJGEUQEVKLDM-UHFFFAOYSA-N 1 1 307.394 2.377 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+](C2CC2)C2(CO)CCC2)c1 ZINC000595539248 358478274 /nfs/dbraw/zinc/47/82/74/358478274.db2.gz KHTFWOAOQDZNFJ-UHFFFAOYSA-N 1 1 306.362 2.353 20 5 DEBDMO Cc1c(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000046878015 354294411 /nfs/dbraw/zinc/29/44/11/354294411.db2.gz FQELXRRKQYTPAY-LBPRGKRZSA-N 1 1 305.378 2.365 20 5 DEBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000047676313 354327144 /nfs/dbraw/zinc/32/71/44/354327144.db2.gz QHGAKVOWJDCLPH-UHFFFAOYSA-N 1 1 302.334 2.228 20 5 DEBDMO CCCNC(=O)[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000050995302 354378045 /nfs/dbraw/zinc/37/80/45/354378045.db2.gz CWKXZQHPUTVGCO-HNNXBMFYSA-N 1 1 319.405 2.376 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000067682631 354773277 /nfs/dbraw/zinc/77/32/77/354773277.db2.gz VYVYEOHUZNKHSO-AWEZNQCLSA-N 1 1 320.393 2.124 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000069044397 354845396 /nfs/dbraw/zinc/84/53/96/354845396.db2.gz DBFLBMRKXDVSEN-CYBMUJFWSA-N 1 1 305.378 2.445 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000069470526 354865208 /nfs/dbraw/zinc/86/52/08/354865208.db2.gz FLAXMSFBQXZMDS-GFCCVEGCSA-N 1 1 321.377 2.065 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2CCO)c2c(c1)COCO2 ZINC000070951327 354892568 /nfs/dbraw/zinc/89/25/68/354892568.db2.gz RWIMNIHDBPVRKW-CQSZACIVSA-N 1 1 322.361 2.198 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](CCO)C3)nc2c1 ZINC000618279938 363447017 /nfs/dbraw/zinc/44/70/17/363447017.db2.gz GDARINXLEQGXKE-NSHDSACASA-N 1 1 304.350 2.066 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](CCO)C3)nc2c1 ZINC000618279938 363447022 /nfs/dbraw/zinc/44/70/22/363447022.db2.gz GDARINXLEQGXKE-NSHDSACASA-N 1 1 304.350 2.066 20 5 DEBDMO CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000072723990 354917558 /nfs/dbraw/zinc/91/75/58/354917558.db2.gz SMHRRWQQNJEDNQ-GFCCVEGCSA-N 1 1 321.377 2.159 20 5 DEBDMO Cc1ccc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000080640968 355377195 /nfs/dbraw/zinc/37/71/95/355377195.db2.gz BHLTUEKSFWYJSW-HNNXBMFYSA-N 1 1 318.421 2.119 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000083424404 355467181 /nfs/dbraw/zinc/46/71/81/355467181.db2.gz YBEWGGNGDKCWCE-UHFFFAOYSA-N 1 1 301.350 2.135 20 5 DEBDMO CCOc1cc(C[N@@H+]2CCCN(C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000276964009 213206786 /nfs/dbraw/zinc/20/67/86/213206786.db2.gz VVQANNTXOVBRPI-UHFFFAOYSA-N 1 1 321.377 2.048 20 5 DEBDMO CCOc1cc(C[N@H+]2CCCN(C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000276964009 213206789 /nfs/dbraw/zinc/20/67/89/213206789.db2.gz VVQANNTXOVBRPI-UHFFFAOYSA-N 1 1 321.377 2.048 20 5 DEBDMO C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000180397633 356050159 /nfs/dbraw/zinc/05/01/59/356050159.db2.gz JOALDXKDQRTNQL-SECBINFHSA-N 1 1 306.347 2.341 20 5 DEBDMO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682878 356208976 /nfs/dbraw/zinc/20/89/76/356208976.db2.gz QBSCOGIHPYJTNP-ZIAGYGMSSA-N 1 1 321.425 2.034 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293354564 356389367 /nfs/dbraw/zinc/38/93/67/356389367.db2.gz ZNVQRJSCNLFVNI-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CO)CC1 ZINC000293354564 356389369 /nfs/dbraw/zinc/38/93/69/356389369.db2.gz ZNVQRJSCNLFVNI-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000315913533 356426403 /nfs/dbraw/zinc/42/64/03/356426403.db2.gz QJSRLCLCVIPOLC-LBPRGKRZSA-N 1 1 301.350 2.434 20 5 DEBDMO CC(C)O[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000579953267 357057785 /nfs/dbraw/zinc/05/77/85/357057785.db2.gz NQIHLNPISZZBHG-OAHLLOKOSA-N 1 1 321.377 2.057 20 5 DEBDMO CC(C)O[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000579953267 357057788 /nfs/dbraw/zinc/05/77/88/357057788.db2.gz NQIHLNPISZZBHG-OAHLLOKOSA-N 1 1 321.377 2.057 20 5 DEBDMO CCOc1cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000276848509 213131339 /nfs/dbraw/zinc/13/13/39/213131339.db2.gz DFVQERHOCIPLRL-WIUDPPPLSA-N 1 1 314.407 2.192 20 5 DEBDMO CCOc1cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000276848509 213131344 /nfs/dbraw/zinc/13/13/44/213131344.db2.gz DFVQERHOCIPLRL-WIUDPPPLSA-N 1 1 314.407 2.192 20 5 DEBDMO CN1CCC([N@@H+]2CC[C@H](Nc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000587977435 357384296 /nfs/dbraw/zinc/38/42/96/357384296.db2.gz ZCDRCAOXGXQDTF-LBPRGKRZSA-N 1 1 322.384 2.314 20 5 DEBDMO CN1CCC([N@H+]2CC[C@H](Nc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000587977435 357384298 /nfs/dbraw/zinc/38/42/98/357384298.db2.gz ZCDRCAOXGXQDTF-LBPRGKRZSA-N 1 1 322.384 2.314 20 5 DEBDMO CC[N@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000588068911 357391999 /nfs/dbraw/zinc/39/19/99/357391999.db2.gz OESDRYIOQWDSBF-NSHDSACASA-N 1 1 301.350 2.068 20 5 DEBDMO Cc1ccc([C@@H](C)NC[C@@H](O)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000590605229 357566665 /nfs/dbraw/zinc/56/66/65/357566665.db2.gz FIXHHNPFBPLYCT-UKRRQHHQSA-N 1 1 309.410 2.255 20 5 DEBDMO CCCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000591934373 357800745 /nfs/dbraw/zinc/80/07/45/357800745.db2.gz XCVUTYNKBODWEX-OAHLLOKOSA-N 1 1 320.393 2.221 20 5 DEBDMO CC[N@H+](CCSC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000592204420 357851568 /nfs/dbraw/zinc/85/15/68/357851568.db2.gz RZBYOSZLRWDUMI-UHFFFAOYSA-N 1 1 323.418 2.169 20 5 DEBDMO CC[N@@H+](CCSC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000592204420 357851571 /nfs/dbraw/zinc/85/15/71/357851571.db2.gz RZBYOSZLRWDUMI-UHFFFAOYSA-N 1 1 323.418 2.169 20 5 DEBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000179241443 199004338 /nfs/dbraw/zinc/00/43/38/199004338.db2.gz KSVYHVWDBXDRTJ-LDZOIKDWSA-N 1 1 308.378 2.111 20 5 DEBDMO CNC(=O)CC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179409021 199029830 /nfs/dbraw/zinc/02/98/30/199029830.db2.gz JKAHDFADBDOQEM-UHFFFAOYSA-N 1 1 317.345 2.423 20 5 DEBDMO CCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592833345 357954210 /nfs/dbraw/zinc/95/42/10/357954210.db2.gz YWUDCWBUSKKBLZ-CQSZACIVSA-N 1 1 305.378 2.460 20 5 DEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593063177 357998689 /nfs/dbraw/zinc/99/86/89/357998689.db2.gz QZWHLOBZHHLIGC-STQMWFEESA-N 1 1 321.377 2.423 20 5 DEBDMO CCCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000593748572 358136369 /nfs/dbraw/zinc/13/63/69/358136369.db2.gz JRJPKNSOFZLTQG-AWEZNQCLSA-N 1 1 323.368 2.219 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCCC[C@H]1CO ZINC000594017136 358190313 /nfs/dbraw/zinc/19/03/13/358190313.db2.gz RTNZNZMCQFYXPR-AWEZNQCLSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCCC[C@H]1CO ZINC000594017136 358190314 /nfs/dbraw/zinc/19/03/14/358190314.db2.gz RTNZNZMCQFYXPR-AWEZNQCLSA-N 1 1 321.377 2.079 20 5 DEBDMO C[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000594516470 358287939 /nfs/dbraw/zinc/28/79/39/358287939.db2.gz ZVTSTEQQBRFUBI-DZGCQCFKSA-N 1 1 319.405 2.499 20 5 DEBDMO C[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000594516473 358288189 /nfs/dbraw/zinc/28/81/89/358288189.db2.gz ZVTSTEQQBRFUBI-ZFWWWQNUSA-N 1 1 319.405 2.499 20 5 DEBDMO Cc1noc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595437704 358448293 /nfs/dbraw/zinc/44/82/93/358448293.db2.gz IDFULVARRSQOGL-ZWNOBZJWSA-N 1 1 305.334 2.145 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595812750 358554988 /nfs/dbraw/zinc/55/49/88/358554988.db2.gz YQYQSQBQLFGYDR-RYUDHWBXSA-N 1 1 317.345 2.235 20 5 DEBDMO C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@H+]1CCCC[C@@H]1C ZINC000596075218 358604567 /nfs/dbraw/zinc/60/45/67/358604567.db2.gz ZKJPOZJDFUJUFA-NWDGAFQWSA-N 1 1 320.393 2.369 20 5 DEBDMO Cc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])s1 ZINC000596142705 358621683 /nfs/dbraw/zinc/62/16/83/358621683.db2.gz VFBLCYPVKHZZEA-GFCCVEGCSA-N 1 1 311.407 2.123 20 5 DEBDMO CCCn1cc[nH+]c1CCCN(C)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596210930 358640375 /nfs/dbraw/zinc/64/03/75/358640375.db2.gz RVQOQMMVFNKADF-UHFFFAOYSA-N 1 1 318.381 2.248 20 5 DEBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1([NH3+])CCCC1 ZINC000596648228 358732113 /nfs/dbraw/zinc/73/21/13/358732113.db2.gz MNSBLXNWMIQBCN-LBPRGKRZSA-N 1 1 320.393 2.173 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000597205894 358852780 /nfs/dbraw/zinc/85/27/80/358852780.db2.gz MKMSBFRGXBUUMI-KBPBESRZSA-N 1 1 303.362 2.004 20 5 DEBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597925547 359043758 /nfs/dbraw/zinc/04/37/58/359043758.db2.gz XDNOTOYUOOSCOE-GFCCVEGCSA-N 1 1 321.377 2.206 20 5 DEBDMO C[N@H+]1CCCC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000598979836 359374669 /nfs/dbraw/zinc/37/46/69/359374669.db2.gz PYXYCODLBKANMG-CQSZACIVSA-N 1 1 320.393 2.126 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(CO)CC1 ZINC000186966493 200040354 /nfs/dbraw/zinc/04/03/54/200040354.db2.gz AUOZIBDJWXDKRC-LBPRGKRZSA-N 1 1 321.377 2.016 20 5 DEBDMO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000600311751 359719626 /nfs/dbraw/zinc/71/96/26/359719626.db2.gz CJOWMHHZOAXUIT-CYBMUJFWSA-N 1 1 305.378 2.365 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCCO)Cc2ccccn2)c1 ZINC000281094553 216075600 /nfs/dbraw/zinc/07/56/00/216075600.db2.gz VJVXAHQQEQCUBK-UHFFFAOYSA-N 1 1 301.346 2.374 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@H+](CCCO)Cc2ccccn2)c1 ZINC000281094553 216075604 /nfs/dbraw/zinc/07/56/04/216075604.db2.gz VJVXAHQQEQCUBK-UHFFFAOYSA-N 1 1 301.346 2.374 20 5 DEBDMO CS[C@@H](CO)[C@@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601120413 359929705 /nfs/dbraw/zinc/92/97/05/359929705.db2.gz HUISXJSVYOXMDF-OTYXRUKQSA-N 1 1 307.375 2.089 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCOC[C@H]3CCOC3)c2c1 ZINC000601115510 359926739 /nfs/dbraw/zinc/92/67/39/359926739.db2.gz HHRZXMWNPUBXNP-LBPRGKRZSA-N 1 1 317.345 2.030 20 5 DEBDMO COC(=O)[C@H]1CC[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000601156778 359945873 /nfs/dbraw/zinc/94/58/73/359945873.db2.gz ZJWXRWNEGMLAKX-WDEREUQCSA-N 1 1 315.329 2.319 20 5 DEBDMO CN(C)C(=O)[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601175261 359953138 /nfs/dbraw/zinc/95/31/38/359953138.db2.gz FCLDHFRGHPROCS-NSHDSACASA-N 1 1 314.345 2.058 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CCn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000601914146 360189707 /nfs/dbraw/zinc/18/97/07/360189707.db2.gz UZXLJNPWHSFRTE-GHMZBOCLSA-N 1 1 303.366 2.367 20 5 DEBDMO CC(C)c1[nH+]ccn1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000602108059 360266912 /nfs/dbraw/zinc/26/69/12/360266912.db2.gz RRJHJYCUUPLRLT-UHFFFAOYSA-N 1 1 316.361 2.274 20 5 DEBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602783901 360552745 /nfs/dbraw/zinc/55/27/45/360552745.db2.gz HRPKKQMFODUVBX-KBPBESRZSA-N 1 1 322.409 2.379 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000602782120 360551434 /nfs/dbraw/zinc/55/14/34/360551434.db2.gz VIOMYHNNYPTJKN-CQSZACIVSA-N 1 1 301.350 2.332 20 5 DEBDMO O=[N+]([O-])c1ccccc1N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000603560170 360845408 /nfs/dbraw/zinc/84/54/08/360845408.db2.gz HIJXONZWUTYYQE-CQSZACIVSA-N 1 1 305.378 2.286 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H]([C@H]4CCOC4)C3)nc2c1 ZINC000444664916 238223865 /nfs/dbraw/zinc/22/38/65/238223865.db2.gz SGNSADXHCISFCA-NEPJUHHUSA-N 1 1 316.361 2.330 20 5 DEBDMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383622 361308017 /nfs/dbraw/zinc/30/80/17/361308017.db2.gz XHBPOKJHCDEIIK-AWEZNQCLSA-N 1 1 303.362 2.117 20 5 DEBDMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000609383557 361308205 /nfs/dbraw/zinc/30/82/05/361308205.db2.gz UBFPIWYBTRHLJN-CYBMUJFWSA-N 1 1 303.362 2.117 20 5 DEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609391174 361309577 /nfs/dbraw/zinc/30/95/77/361309577.db2.gz CLPGUICPHAHFKO-ZDUSSCGKSA-N 1 1 304.350 2.201 20 5 DEBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000609997402 361351543 /nfs/dbraw/zinc/35/15/43/361351543.db2.gz OAVORSXQTWLDMK-UHFFFAOYSA-N 1 1 320.393 2.024 20 5 DEBDMO O=C(CC[N@@H+]1CCC[C@@H](CCO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000610213660 361367965 /nfs/dbraw/zinc/36/79/65/361367965.db2.gz MBEZTKBIUWJEFA-ZDUSSCGKSA-N 1 1 321.377 2.018 20 5 DEBDMO COC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610605199 361430434 /nfs/dbraw/zinc/43/04/34/361430434.db2.gz PWPUZAKGYDGZLD-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO COC[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610605199 361430437 /nfs/dbraw/zinc/43/04/37/361430437.db2.gz PWPUZAKGYDGZLD-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194029114 201165372 /nfs/dbraw/zinc/16/53/72/201165372.db2.gz IYNTVAVXBPFHNB-LBPRGKRZSA-N 1 1 322.365 2.277 20 5 DEBDMO CC(C)[NH2+][C@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000610924484 361492727 /nfs/dbraw/zinc/49/27/27/361492727.db2.gz QZFAEBJXRIRQEM-NSHDSACASA-N 1 1 323.397 2.044 20 5 DEBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCSC1 ZINC000611254221 361563669 /nfs/dbraw/zinc/56/36/69/361563669.db2.gz WFILZVNVPWGOFP-LLVKDONJSA-N 1 1 310.375 2.303 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000619578327 363832935 /nfs/dbraw/zinc/83/29/35/363832935.db2.gz GKGJUTDQHRVOAG-AWEZNQCLSA-N 1 1 305.378 2.460 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451657393 243273734 /nfs/dbraw/zinc/27/37/34/243273734.db2.gz YPQSTBDLVPTGBZ-MJBXVCDLSA-N 1 1 307.394 2.043 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OC 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ZNVXRLKRYHEPSF-UHFFFAOYSA-N 1 1 319.361 2.445 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)cc1 ZINC000273934901 211189016 /nfs/dbraw/zinc/18/90/16/211189016.db2.gz IVOGCCZDAZLYBS-OLZOCXBDSA-N 1 1 316.317 2.181 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1)C1CC1 ZINC000159711407 197361561 /nfs/dbraw/zinc/36/15/61/197361561.db2.gz YGRZVTNRVRVWNQ-UHFFFAOYSA-N 1 1 313.357 2.421 20 5 DEBDMO COCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000112355643 194464546 /nfs/dbraw/zinc/46/45/46/194464546.db2.gz LMTLWIFHZUVJTC-LBPRGKRZSA-N 1 1 321.377 2.280 20 5 DEBDMO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269167272 207288513 /nfs/dbraw/zinc/28/85/13/207288513.db2.gz GDUUJCHXBLMOKY-GFCCVEGCSA-N 1 1 321.377 2.151 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269167272 207288517 /nfs/dbraw/zinc/28/85/17/207288517.db2.gz GDUUJCHXBLMOKY-GFCCVEGCSA-N 1 1 321.377 2.151 20 5 DEBDMO CNC(=O)c1ccc(N[C@H](C)C2=CC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000272997762 210377648 /nfs/dbraw/zinc/37/76/48/210377648.db2.gz QVGYWMJTAVADNJ-LLVKDONJSA-N 1 1 318.377 2.017 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155595121 197070066 /nfs/dbraw/zinc/07/00/66/197070066.db2.gz WYBYHXCHPNCGJW-GJZGRUSLSA-N 1 1 317.389 2.460 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000294775848 224213734 /nfs/dbraw/zinc/21/37/34/224213734.db2.gz CGIUVSNWDKXGCK-UHFFFAOYSA-N 1 1 322.752 2.492 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1 ZINC000543576383 285295824 /nfs/dbraw/zinc/29/58/24/285295824.db2.gz BNLXHSFNSMOZJI-LBPRGKRZSA-N 1 1 320.393 2.098 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000330991462 533219909 /nfs/dbraw/zinc/21/99/09/533219909.db2.gz NCSNDNORKDWHBR-HNNXBMFYSA-N 1 1 307.394 2.375 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)Nc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000357812169 133101925 /nfs/dbraw/zinc/10/19/25/133101925.db2.gz RFONCIXJKIFIMD-NSHDSACASA-N 1 1 324.381 2.309 20 5 DEBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000359942745 133154085 /nfs/dbraw/zinc/15/40/85/133154085.db2.gz OLDNLLMPIATROA-RYUDHWBXSA-N 1 1 321.377 2.076 20 5 DEBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000359942745 133154086 /nfs/dbraw/zinc/15/40/86/133154086.db2.gz OLDNLLMPIATROA-RYUDHWBXSA-N 1 1 321.377 2.076 20 5 DEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000376619676 133302378 /nfs/dbraw/zinc/30/23/78/133302378.db2.gz PISSQWCMLJATJT-AWEZNQCLSA-N 1 1 317.389 2.270 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000372960502 133371927 /nfs/dbraw/zinc/37/19/27/133371927.db2.gz WEIIVVSSXCVHCF-IUODEOHRSA-N 1 1 318.377 2.461 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248139366 145148604 /nfs/dbraw/zinc/14/86/04/145148604.db2.gz PLUWJPWCJUAFCJ-GOEBONIOSA-N 1 1 317.389 2.080 20 5 DEBDMO C[N@@H+]1CCC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248118407 145148634 /nfs/dbraw/zinc/14/86/34/145148634.db2.gz NAJLAQSNVKWMPF-RHSMWYFYSA-N 1 1 319.405 2.390 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248118407 145148635 /nfs/dbraw/zinc/14/86/35/145148635.db2.gz NAJLAQSNVKWMPF-RHSMWYFYSA-N 1 1 319.405 2.390 20 5 DEBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]2CCCC[C@@H]12 ZINC000248422722 145153804 /nfs/dbraw/zinc/15/38/04/145153804.db2.gz MTXBKHCZDICOLU-SNPRPXQTSA-N 1 1 305.378 2.267 20 5 DEBDMO COc1c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)nn1C ZINC000318102752 145367670 /nfs/dbraw/zinc/36/76/70/145367670.db2.gz APOLAOHKYANZDW-JTQLQIEISA-N 1 1 304.350 2.496 20 5 DEBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+]1CCCC[C@@H]1C ZINC000344988439 404486099 /nfs/dbraw/zinc/48/60/99/404486099.db2.gz NKXWBFCGXHHQOY-NWDGAFQWSA-N 1 1 320.393 2.170 20 5 DEBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346165072 146029084 /nfs/dbraw/zinc/02/90/84/146029084.db2.gz DRTMVBCWGGBYPS-GVXVVHGQSA-N 1 1 323.418 2.459 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000346460580 146086037 /nfs/dbraw/zinc/08/60/37/146086037.db2.gz JXZDXQRQNQPFPC-ZDUSSCGKSA-N 1 1 321.377 2.208 20 5 DEBDMO CN(C)c1cc(NC(=O)COc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000346919189 146164454 /nfs/dbraw/zinc/16/44/54/146164454.db2.gz IVZNEEPKFVQNGX-UHFFFAOYSA-N 1 1 316.317 2.073 20 5 DEBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](C)O ZINC000348710514 146299638 /nfs/dbraw/zinc/29/96/38/146299638.db2.gz CUYTZPJPZNVKAX-SECBINFHSA-N 1 1 304.293 2.399 20 5 DEBDMO COc1ccc(CN2CCN(C)c3[nH+]cccc32)cc1[N+](=O)[O-] ZINC000348956266 146333210 /nfs/dbraw/zinc/33/32/10/146333210.db2.gz MFTYHDXDFWRPJA-UHFFFAOYSA-N 1 1 314.345 2.455 20 5 DEBDMO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349237046 146361242 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DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000073995450 401727016 /nfs/dbraw/zinc/72/70/16/401727016.db2.gz GJXAKBFURVVJQS-GXTWGEPZSA-N 1 1 303.362 2.212 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000007486621 401741004 /nfs/dbraw/zinc/74/10/04/401741004.db2.gz HBTVMCLZGULFAE-NSHDSACASA-N 1 1 307.350 2.416 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000007486621 401741007 /nfs/dbraw/zinc/74/10/07/401741007.db2.gz HBTVMCLZGULFAE-NSHDSACASA-N 1 1 307.350 2.416 20 5 DEBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCn1cccn1 ZINC000111282282 401708356 /nfs/dbraw/zinc/70/83/56/401708356.db2.gz IQMPLTMOONYKGD-UHFFFAOYSA-N 1 1 304.350 2.192 20 5 DEBDMO COc1ccc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000076294107 401789097 /nfs/dbraw/zinc/78/90/97/401789097.db2.gz HYCDRQPXAGNFBN-CYBMUJFWSA-N 1 1 322.361 2.188 20 5 DEBDMO CO[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000076348119 401792611 /nfs/dbraw/zinc/79/26/11/401792611.db2.gz MSVIGXBRJZYCIP-GFCCVEGCSA-N 1 1 307.350 2.034 20 5 DEBDMO Cn1nccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130232556 401823909 /nfs/dbraw/zinc/82/39/09/401823909.db2.gz DTQRVILCGRDHBY-UHFFFAOYSA-N 1 1 316.361 2.372 20 5 DEBDMO C[N@@H+](CCOCC1CC1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000088600729 401934260 /nfs/dbraw/zinc/93/42/60/401934260.db2.gz CLOBELNHILWKOH-UHFFFAOYSA-N 1 1 321.377 2.282 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000084138505 401902636 /nfs/dbraw/zinc/90/26/36/401902636.db2.gz RIUMJUFDJBLKIZ-UHFFFAOYSA-N 1 1 306.288 2.456 20 5 DEBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134656319 401910056 /nfs/dbraw/zinc/91/00/56/401910056.db2.gz XPVGAHIZNGRSGY-SNVBAGLBSA-N 1 1 323.780 2.462 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCc3ccncc3)C2)nc1 ZINC000118866503 401913110 /nfs/dbraw/zinc/91/31/10/401913110.db2.gz SOQONTNNHJKNDO-AWEZNQCLSA-N 1 1 313.361 2.114 20 5 DEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000045753282 401961054 /nfs/dbraw/zinc/96/10/54/401961054.db2.gz KBWSFSCSWZDXRS-CYBMUJFWSA-N 1 1 321.377 2.343 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089304356 401941598 /nfs/dbraw/zinc/94/15/98/401941598.db2.gz NNFSQSCYMRKSTI-OAHLLOKOSA-N 1 1 305.378 2.128 20 5 DEBDMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000121166622 402018343 /nfs/dbraw/zinc/01/83/43/402018343.db2.gz WFJRUMYGRMNPIV-SWLSCSKDSA-N 1 1 305.378 2.315 20 5 DEBDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000053753441 402059392 /nfs/dbraw/zinc/05/93/92/402059392.db2.gz XFSCJGFEFIUMPD-LBPRGKRZSA-N 1 1 306.366 2.448 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1 ZINC000122269593 402069987 /nfs/dbraw/zinc/06/99/87/402069987.db2.gz RFPMKVHPJPODQJ-CQSZACIVSA-N 1 1 313.361 2.380 20 5 DEBDMO Cc1c(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000154063119 402189897 /nfs/dbraw/zinc/18/98/97/402189897.db2.gz HXYKTJDYVUDPDD-HNNXBMFYSA-N 1 1 305.378 2.315 20 5 DEBDMO Cc1c(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000154063119 402189899 /nfs/dbraw/zinc/18/98/99/402189899.db2.gz HXYKTJDYVUDPDD-HNNXBMFYSA-N 1 1 305.378 2.315 20 5 DEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000154176992 402196942 /nfs/dbraw/zinc/19/69/42/402196942.db2.gz KPDOVWBSTVNIDT-LBPRGKRZSA-N 1 1 309.366 2.428 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000154681123 402225818 /nfs/dbraw/zinc/22/58/18/402225818.db2.gz LKSWQTWFDMIKRE-ZBFHGGJFSA-N 1 1 317.389 2.080 20 5 DEBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)CN1 ZINC000125556040 402239101 /nfs/dbraw/zinc/23/91/01/402239101.db2.gz TWAYUQQAAOKZRD-DOMZBBRYSA-N 1 1 321.352 2.225 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000107890766 402243291 /nfs/dbraw/zinc/24/32/91/402243291.db2.gz OTMOBWHHPVDKQL-PSKZRQQASA-N 1 1 303.362 2.066 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000184783320 402299595 /nfs/dbraw/zinc/29/95/95/402299595.db2.gz NXYCGVXBHILIQL-UHFFFAOYSA-N 1 1 318.377 2.010 20 5 DEBDMO Cc1cc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177088816 402368578 /nfs/dbraw/zinc/36/85/78/402368578.db2.gz RYNJDMVLAFIABM-AAEUAGOBSA-N 1 1 303.362 2.258 20 5 DEBDMO COc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000245498418 402465866 /nfs/dbraw/zinc/46/58/66/402465866.db2.gz WBUDETBKDCRSFM-KGLIPLIRSA-N 1 1 305.378 2.272 20 5 DEBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000247117831 402557511 /nfs/dbraw/zinc/55/75/11/402557511.db2.gz RMVAAKGLWJYSFO-CHWSQXEVSA-N 1 1 321.377 2.199 20 5 DEBDMO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000171755316 402618354 /nfs/dbraw/zinc/61/83/54/402618354.db2.gz AWCSLIDQTAZBNS-OLZOCXBDSA-N 1 1 320.393 2.297 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000191093994 402641403 /nfs/dbraw/zinc/64/14/03/402641403.db2.gz WIPCYRYRUNRSNA-NSHDSACASA-N 1 1 323.393 2.372 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000172337606 402651057 /nfs/dbraw/zinc/65/10/57/402651057.db2.gz QXIRQIXTGNKBFT-CQSZACIVSA-N 1 1 306.366 2.399 20 5 DEBDMO CC(C)c1[nH+]ccn1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182257076 402676552 /nfs/dbraw/zinc/67/65/52/402676552.db2.gz XWOLJJOWBBDRIO-GFCCVEGCSA-N 1 1 305.334 2.355 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000173350831 402693813 /nfs/dbraw/zinc/69/38/13/402693813.db2.gz NENRLNIZDRHCDE-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000173384644 402695435 /nfs/dbraw/zinc/69/54/35/402695435.db2.gz GOJDLAQHQCLUCH-GJZGRUSLSA-N 1 1 320.437 2.129 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000255914111 402699160 /nfs/dbraw/zinc/69/91/60/402699160.db2.gz OTMOBWHHPVDKQL-LMVHVUTASA-N 1 1 303.362 2.066 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000174485997 402743497 /nfs/dbraw/zinc/74/34/97/402743497.db2.gz WEADLNQEDACMFL-GFCCVEGCSA-N 1 1 321.377 2.017 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000264159283 402853129 /nfs/dbraw/zinc/85/31/29/402853129.db2.gz XSILPQHBFNANMN-NSHDSACASA-N 1 1 308.382 2.097 20 5 DEBDMO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272449394 402938759 /nfs/dbraw/zinc/93/87/59/402938759.db2.gz ANMBZRAUSZEXIB-LBPRGKRZSA-N 1 1 321.377 2.104 20 5 DEBDMO CC(C)[C@@H](O)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272552747 402951915 /nfs/dbraw/zinc/95/19/15/402951915.db2.gz RONZQYBZOTWGGZ-GJZGRUSLSA-N 1 1 318.377 2.024 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000266745951 402988370 /nfs/dbraw/zinc/98/83/70/402988370.db2.gz RFXPUQHSXKYCMU-DOMZBBRYSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000266745951 402988372 /nfs/dbraw/zinc/98/83/72/402988372.db2.gz RFXPUQHSXKYCMU-DOMZBBRYSA-N 1 1 321.377 2.423 20 5 DEBDMO CC(C)(C(=O)NCC[N@@H+]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000280358736 402991555 /nfs/dbraw/zinc/99/15/55/402991555.db2.gz XTUANOXMDOQPHS-UHFFFAOYSA-N 1 1 317.389 2.251 20 5 DEBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[N@@H+](C)C1CC1 ZINC000273373235 402998905 /nfs/dbraw/zinc/99/89/05/402998905.db2.gz HDLANJPGLSCZAE-VIFPVBQESA-N 1 1 310.329 2.338 20 5 DEBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000273391567 403000403 /nfs/dbraw/zinc/00/04/03/403000403.db2.gz UYODCAYPPWVWCR-HZSPNIEDSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000273391573 403000519 /nfs/dbraw/zinc/00/05/19/403000519.db2.gz UYODCAYPPWVWCR-RDBSUJKOSA-N 1 1 308.378 2.455 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000267095924 403015145 /nfs/dbraw/zinc/01/51/45/403015145.db2.gz RLRSLBHEQTWDKF-CYBMUJFWSA-N 1 1 304.325 2.420 20 5 DEBDMO Cc1nnc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000273621046 403020409 /nfs/dbraw/zinc/02/04/09/403020409.db2.gz QLCRNZYYFDOXEZ-SECBINFHSA-N 1 1 308.363 2.484 20 5 DEBDMO COc1ccc(OCC[N@@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000266553874 402973355 /nfs/dbraw/zinc/97/33/55/402973355.db2.gz UYVKRWXYXAVKKW-AWEZNQCLSA-N 1 1 324.377 2.483 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000280223796 402977033 /nfs/dbraw/zinc/97/70/33/402977033.db2.gz LOQPKIBBQMDIPA-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO Cc1cc(N[C@@H](C)CCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000274426471 403054645 /nfs/dbraw/zinc/05/46/45/403054645.db2.gz DEXXZWJUFSAXCU-AWEZNQCLSA-N 1 1 306.410 2.341 20 5 DEBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000274430486 403055125 /nfs/dbraw/zinc/05/51/25/403055125.db2.gz DUDGXUZXEXYZJI-LBPRGKRZSA-N 1 1 310.373 2.172 20 5 DEBDMO COCCn1cc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000282100951 403122672 /nfs/dbraw/zinc/12/26/72/403122672.db2.gz SNEJDTJPRGPIHS-UHFFFAOYSA-N 1 1 324.768 2.381 20 5 DEBDMO COCC[N@@H+]1CC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269656324 403154335 /nfs/dbraw/zinc/15/43/35/403154335.db2.gz SFMBVVLFDZZXBK-VIFPVBQESA-N 1 1 301.293 2.006 20 5 DEBDMO COCC[N@H+]1CC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269656324 403154336 /nfs/dbraw/zinc/15/43/36/403154336.db2.gz SFMBVVLFDZZXBK-VIFPVBQESA-N 1 1 301.293 2.006 20 5 DEBDMO Cc1cc(F)c(NC(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000284007277 403238697 /nfs/dbraw/zinc/23/86/97/403238697.db2.gz NPPIUILRCXMQCI-UHFFFAOYSA-N 1 1 310.329 2.212 20 5 DEBDMO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284081608 403243612 /nfs/dbraw/zinc/24/36/12/403243612.db2.gz LLTXJIHXOICCHG-GWCFXTLKSA-N 1 1 309.322 2.238 20 5 DEBDMO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284081608 403243615 /nfs/dbraw/zinc/24/36/15/403243615.db2.gz LLTXJIHXOICCHG-GWCFXTLKSA-N 1 1 309.322 2.238 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCCCO1 ZINC000342683524 403308003 /nfs/dbraw/zinc/30/80/03/403308003.db2.gz ZTVSDTYXJSUPRW-QWHCGFSZSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCCCO1 ZINC000342683524 403308007 /nfs/dbraw/zinc/30/80/07/403308007.db2.gz ZTVSDTYXJSUPRW-QWHCGFSZSA-N 1 1 321.377 2.423 20 5 DEBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2CCC[C@@H]21 ZINC000339718753 403428343 /nfs/dbraw/zinc/42/83/43/403428343.db2.gz LGXMLGDNFOBJRZ-UONOGXRCSA-N 1 1 305.378 2.267 20 5 DEBDMO CO[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285850461 403394918 /nfs/dbraw/zinc/39/49/18/403394918.db2.gz WZUHEUJPFLHKCB-SECBINFHSA-N 1 1 315.757 2.153 20 5 DEBDMO CO[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285850461 403394920 /nfs/dbraw/zinc/39/49/20/403394920.db2.gz WZUHEUJPFLHKCB-SECBINFHSA-N 1 1 315.757 2.153 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000298516297 403403087 /nfs/dbraw/zinc/40/30/87/403403087.db2.gz PYILIDLLQISDSB-NSHDSACASA-N 1 1 317.345 2.065 20 5 DEBDMO CCC[NH+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000339895942 403486528 /nfs/dbraw/zinc/48/65/28/403486528.db2.gz MFBWXEOZCYRTHH-UHFFFAOYSA-N 1 1 319.405 2.427 20 5 DEBDMO CCOC(=O)c1cc(N2CC[N@@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000343281281 403523538 /nfs/dbraw/zinc/52/35/38/403523538.db2.gz HKSNNHKXYHXQNC-GFCCVEGCSA-N 1 1 321.377 2.302 20 5 DEBDMO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000299082149 403517102 /nfs/dbraw/zinc/51/71/02/403517102.db2.gz XRMPOIGEPPGRMV-STQMWFEESA-N 1 1 305.378 2.445 20 5 DEBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000332339246 403554826 /nfs/dbraw/zinc/55/48/26/403554826.db2.gz RWXNNYXUCIIYEN-LLVKDONJSA-N 1 1 316.361 2.290 20 5 DEBDMO CNC(=O)c1ccc(NCC[N@@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000301185215 403598969 /nfs/dbraw/zinc/59/89/69/403598969.db2.gz JIQOHVQBGKWHLS-UHFFFAOYSA-N 1 1 320.393 2.241 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345982561 403558422 /nfs/dbraw/zinc/55/84/22/403558422.db2.gz MMXVWGSNKQBVNE-STQMWFEESA-N 1 1 305.378 2.078 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000294042485 403632402 /nfs/dbraw/zinc/63/24/02/403632402.db2.gz SSOXKEQURBZPGL-TXEJJXNPSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000294042485 403632405 /nfs/dbraw/zinc/63/24/05/403632405.db2.gz SSOXKEQURBZPGL-TXEJJXNPSA-N 1 1 321.377 2.158 20 5 DEBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301893516 403697294 /nfs/dbraw/zinc/69/72/94/403697294.db2.gz APMAFUZESRMNSE-LBPRGKRZSA-N 1 1 318.381 2.314 20 5 DEBDMO COc1cc(C[N@H+](C)CC(C)(C)CO)c([N+](=O)[O-])cc1F ZINC000295293479 403836382 /nfs/dbraw/zinc/83/63/82/403836382.db2.gz UJJMEMLULIPVOJ-UHFFFAOYSA-N 1 1 300.330 2.193 20 5 DEBDMO COc1cc(C[N@@H+](C)CC(C)(C)CO)c([N+](=O)[O-])cc1F ZINC000295293479 403836385 /nfs/dbraw/zinc/83/63/85/403836385.db2.gz UJJMEMLULIPVOJ-UHFFFAOYSA-N 1 1 300.330 2.193 20 5 DEBDMO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295290714 403833692 /nfs/dbraw/zinc/83/36/92/403833692.db2.gz INGYNZVZIPHZBL-GFCCVEGCSA-N 1 1 303.362 2.151 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000343945828 403802911 /nfs/dbraw/zinc/80/29/11/403802911.db2.gz GRDABJTWDVPIMS-ZDUSSCGKSA-N 1 1 320.393 2.241 20 5 DEBDMO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295341377 403867987 /nfs/dbraw/zinc/86/79/87/403867987.db2.gz MOKZVPVUHBQGRQ-ZDUSSCGKSA-N 1 1 317.389 2.080 20 5 DEBDMO Cc1cc(N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000361808693 403878754 /nfs/dbraw/zinc/87/87/54/403878754.db2.gz BPBCLJNUPCEWNG-UHFFFAOYSA-N 1 1 321.358 2.264 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCC[N@H+](C)CCN(C)C ZINC000344059335 403882972 /nfs/dbraw/zinc/88/29/72/403882972.db2.gz LPXOXYJPMUTLLS-HNNXBMFYSA-N 1 1 322.453 2.471 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCC[N@@H+](C)CCN(C)C ZINC000344059335 403882978 /nfs/dbraw/zinc/88/29/78/403882978.db2.gz LPXOXYJPMUTLLS-HNNXBMFYSA-N 1 1 322.453 2.471 20 5 DEBDMO Cc1cc(N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc[nH+]1 ZINC000361820274 403885789 /nfs/dbraw/zinc/88/57/89/403885789.db2.gz CAZITLAWOOVNRY-UHFFFAOYSA-N 1 1 321.358 2.432 20 5 DEBDMO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411556839 403894193 /nfs/dbraw/zinc/89/41/93/403894193.db2.gz PRICTGNPOYADRO-VBNZEHGJSA-N 1 1 317.389 2.156 20 5 DEBDMO COc1ccc(OCC[N@H+]2CC[C@@H](CO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000344177811 403959169 /nfs/dbraw/zinc/95/91/69/403959169.db2.gz SJAPLTVARUPVBW-QWHCGFSZSA-N 1 1 324.377 2.075 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000412038140 404075707 /nfs/dbraw/zinc/07/57/07/404075707.db2.gz JBWPNOKXPWZNST-GFCCVEGCSA-N 1 1 317.349 2.019 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000412038140 404075713 /nfs/dbraw/zinc/07/57/13/404075713.db2.gz JBWPNOKXPWZNST-GFCCVEGCSA-N 1 1 317.349 2.019 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000412038140 404075723 /nfs/dbraw/zinc/07/57/23/404075723.db2.gz JBWPNOKXPWZNST-GFCCVEGCSA-N 1 1 317.349 2.019 20 5 DEBDMO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000369408033 404080392 /nfs/dbraw/zinc/08/03/92/404080392.db2.gz JLIDFBYJICVPAX-XFBWCDHKSA-N 1 1 306.362 2.128 20 5 DEBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000369408033 404080398 /nfs/dbraw/zinc/08/03/98/404080398.db2.gz JLIDFBYJICVPAX-XFBWCDHKSA-N 1 1 306.362 2.128 20 5 DEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000351980251 404054324 /nfs/dbraw/zinc/05/43/24/404054324.db2.gz BDJROSGZFUHYTQ-ZDUSSCGKSA-N 1 1 319.405 2.425 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344472009 404163680 /nfs/dbraw/zinc/16/36/80/404163680.db2.gz WBPXJCDFAYDGEE-OKILXGFUSA-N 1 1 319.405 2.469 20 5 DEBDMO COc1ccc([C@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000363588183 404194892 /nfs/dbraw/zinc/19/48/92/404194892.db2.gz XUYJCMRUWHMINJ-ZDUSSCGKSA-N 1 1 316.361 2.326 20 5 DEBDMO C[C@H](NC(=O)NC[C@H](C)[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296328844 404199170 /nfs/dbraw/zinc/19/91/70/404199170.db2.gz GPEVSWWIHZCQGQ-RYUDHWBXSA-N 1 1 320.393 2.438 20 5 DEBDMO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H](C)O ZINC000352188424 404200776 /nfs/dbraw/zinc/20/07/76/404200776.db2.gz YXHGGYWMVNSUGS-LLVKDONJSA-N 1 1 305.334 2.453 20 5 DEBDMO C[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000352640913 404507391 /nfs/dbraw/zinc/50/73/91/404507391.db2.gz USDSBPPMFSAVLR-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000352640913 404507397 /nfs/dbraw/zinc/50/73/97/404507397.db2.gz USDSBPPMFSAVLR-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO COC(=O)Cc1ccc(NC[C@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000297249252 404518304 /nfs/dbraw/zinc/51/83/04/404518304.db2.gz VGMXULWKDJZCGI-NSHDSACASA-N 1 1 321.377 2.205 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1C1CC1 ZINC000373269821 404537069 /nfs/dbraw/zinc/53/70/69/404537069.db2.gz WMNQYTCPVNIEBX-KBPBESRZSA-N 1 1 306.362 2.209 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000291947783 404594376 /nfs/dbraw/zinc/59/43/76/404594376.db2.gz DYEDLXFOSSLGQW-LLVKDONJSA-N 1 1 308.382 2.027 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1C ZINC000356618664 404624765 /nfs/dbraw/zinc/62/47/65/404624765.db2.gz JUPSPAWOTBKBGF-RYUDHWBXSA-N 1 1 321.377 2.158 20 5 DEBDMO CCc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330569612 404690699 /nfs/dbraw/zinc/69/06/99/404690699.db2.gz CJRJRLYZVJFNAV-RYUDHWBXSA-N 1 1 305.378 2.322 20 5 DEBDMO CCc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330569612 404690701 /nfs/dbraw/zinc/69/07/01/404690701.db2.gz CJRJRLYZVJFNAV-RYUDHWBXSA-N 1 1 305.378 2.322 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC[C@H]1CCCO1 ZINC000342612553 404678317 /nfs/dbraw/zinc/67/83/17/404678317.db2.gz YKCAORKWGIKLLM-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000330571167 404691010 /nfs/dbraw/zinc/69/10/10/404691010.db2.gz DDTUIPZFKVSEHO-CHWSQXEVSA-N 1 1 305.378 2.078 20 5 DEBDMO CCc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330569611 404691363 /nfs/dbraw/zinc/69/13/63/404691363.db2.gz CJRJRLYZVJFNAV-NWDGAFQWSA-N 1 1 305.378 2.322 20 5 DEBDMO CCc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330569611 404691367 /nfs/dbraw/zinc/69/13/67/404691367.db2.gz CJRJRLYZVJFNAV-NWDGAFQWSA-N 1 1 305.378 2.322 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000351604095 404666965 /nfs/dbraw/zinc/66/69/65/404666965.db2.gz DCTVFHADJHFEBM-NXEZZACHSA-N 1 1 310.329 2.338 20 5 DEBDMO C[NH+](C)CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000356806714 404697485 /nfs/dbraw/zinc/69/74/85/404697485.db2.gz ULIWVYJGKRLXGP-UHFFFAOYSA-N 1 1 321.377 2.247 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000356867793 404712145 /nfs/dbraw/zinc/71/21/45/404712145.db2.gz WLVVKAHJTWOYEN-HZSPNIEDSA-N 1 1 321.425 2.166 20 5 DEBDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000366241048 404778091 /nfs/dbraw/zinc/77/80/91/404778091.db2.gz OHSTWOCIOSXUGL-CHWSQXEVSA-N 1 1 308.382 2.108 20 5 DEBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000366241048 404778092 /nfs/dbraw/zinc/77/80/92/404778092.db2.gz OHSTWOCIOSXUGL-CHWSQXEVSA-N 1 1 308.382 2.108 20 5 DEBDMO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000377335154 404836338 /nfs/dbraw/zinc/83/63/38/404836338.db2.gz FVOXKZCAPARPGS-IUODEOHRSA-N 1 1 313.361 2.460 20 5 DEBDMO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000415117964 404811548 /nfs/dbraw/zinc/81/15/48/404811548.db2.gz DMIBAXKNYCCBBI-NVXWUHKLSA-N 1 1 319.405 2.313 20 5 DEBDMO CNc1c(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000360936007 404856048 /nfs/dbraw/zinc/85/60/48/404856048.db2.gz CZMKWADOMARTFB-LLVKDONJSA-N 1 1 318.377 2.017 20 5 DEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000354021714 405006852 /nfs/dbraw/zinc/00/68/52/405006852.db2.gz YSJPCBIEVYVZDZ-NSHDSACASA-N 1 1 316.361 2.242 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451984310 405117877 /nfs/dbraw/zinc/11/78/77/405117877.db2.gz DAPXXYAHMOKPRL-CHWSQXEVSA-N 1 1 320.393 2.391 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451984310 405117879 /nfs/dbraw/zinc/11/78/79/405117879.db2.gz DAPXXYAHMOKPRL-CHWSQXEVSA-N 1 1 320.393 2.391 20 5 DEBDMO CSCC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361583294 405144212 /nfs/dbraw/zinc/14/42/12/405144212.db2.gz KUOZTKFCRGENJR-UHFFFAOYSA-N 1 1 308.363 2.440 20 5 DEBDMO CSCC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361583294 405144215 /nfs/dbraw/zinc/14/42/15/405144215.db2.gz KUOZTKFCRGENJR-UHFFFAOYSA-N 1 1 308.363 2.440 20 5 DEBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000408276818 405159919 /nfs/dbraw/zinc/15/99/19/405159919.db2.gz LMACBMXFCUKWIQ-ZWNOBZJWSA-N 1 1 322.340 2.434 20 5 DEBDMO CSCCC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000439474222 405280970 /nfs/dbraw/zinc/28/09/70/405280970.db2.gz WMGPRDWPXJIEDX-CQSZACIVSA-N 1 1 323.418 2.385 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1CCO ZINC000426219804 405344793 /nfs/dbraw/zinc/34/47/93/405344793.db2.gz ZUYHABJJRLPRPG-ZDUSSCGKSA-N 1 1 321.377 2.079 20 5 DEBDMO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000420934848 405409533 /nfs/dbraw/zinc/40/95/33/405409533.db2.gz HKDHHMLOWPKVCL-QWRGUYRKSA-N 1 1 312.341 2.193 20 5 DEBDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000420934848 405409534 /nfs/dbraw/zinc/40/95/34/405409534.db2.gz HKDHHMLOWPKVCL-QWRGUYRKSA-N 1 1 312.341 2.193 20 5 DEBDMO O=C(C[N@H+]1CC[C@H]2CCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000426455523 405360712 /nfs/dbraw/zinc/36/07/12/405360712.db2.gz TWSJPXGNNREVKN-DOMZBBRYSA-N 1 1 315.373 2.358 20 5 DEBDMO C[C@@H]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000429568105 405438184 /nfs/dbraw/zinc/43/81/84/405438184.db2.gz HSYQXRIEZDRBPJ-VNHYZAJKSA-N 1 1 308.378 2.455 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000493795031 405561134 /nfs/dbraw/zinc/56/11/34/405561134.db2.gz SVWWJYQSAHDSES-LZNQSLFOSA-N 1 1 317.389 2.456 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421711584 405606801 /nfs/dbraw/zinc/60/68/01/405606801.db2.gz OXDJPLVVSVMLPW-ZDUSSCGKSA-N 1 1 305.378 2.378 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421758760 405632125 /nfs/dbraw/zinc/63/21/25/405632125.db2.gz AUPWNNIENKWKAB-UHFFFAOYSA-N 1 1 305.378 2.379 20 5 DEBDMO COc1c(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457082162 405686383 /nfs/dbraw/zinc/68/63/83/405686383.db2.gz DQRSGBCVYYODMD-LBPRGKRZSA-N 1 1 321.377 2.158 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCC3CCOCC3)C2)nc1 ZINC000432777962 405806833 /nfs/dbraw/zinc/80/68/33/405806833.db2.gz CDRWDIIXUINYBF-AWEZNQCLSA-N 1 1 320.393 2.293 20 5 DEBDMO COc1ccc2c(c1)CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000530870702 405874669 /nfs/dbraw/zinc/87/46/69/405874669.db2.gz ZHSZNEMTHGFGJR-UHFFFAOYSA-N 1 1 316.361 2.248 20 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/nfs/dbraw/zinc/40/93/18/406409318.db2.gz ZFHYQHPJKVBGMF-IAQYHMDHSA-N 1 1 312.341 2.360 20 5 DEBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCO[C@@H]1C ZINC000489466812 406409321 /nfs/dbraw/zinc/40/93/21/406409321.db2.gz ZFHYQHPJKVBGMF-IAQYHMDHSA-N 1 1 312.341 2.360 20 5 DEBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CC1(C)C ZINC000489499609 406413479 /nfs/dbraw/zinc/41/34/79/406413479.db2.gz MDRRGPRCYBPHRS-CQSZACIVSA-N 1 1 303.362 2.214 20 5 DEBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CC1(C)C ZINC000489499609 406413484 /nfs/dbraw/zinc/41/34/84/406413484.db2.gz MDRRGPRCYBPHRS-CQSZACIVSA-N 1 1 303.362 2.214 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000524719640 406455424 /nfs/dbraw/zinc/45/54/24/406455424.db2.gz FEVRUWVYIAWTDN-SNVBAGLBSA-N 1 1 311.769 2.320 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(=N[C@H]3CC[N@H+](C4CCCC4)C3)[nH]c2c1 ZINC000572472046 406673437 /nfs/dbraw/zinc/67/34/37/406673437.db2.gz QVHIGJXWSCCCEC-NSHDSACASA-N 1 1 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ZINC000344137968 424987207 /nfs/dbraw/zinc/98/72/07/424987207.db2.gz KGLQVQGJQRSWAT-NWDGAFQWSA-N 1 1 322.361 2.054 20 5 DEBDMO O=[N+]([O-])c1ccccc1CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000352385498 425045629 /nfs/dbraw/zinc/04/56/29/425045629.db2.gz IDTQFSIZOHAKNU-UHFFFAOYSA-N 1 1 313.361 2.987 20 5 DEBDMO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000430239046 269127024 /nfs/dbraw/zinc/12/70/24/269127024.db2.gz MQOZRCKOJRNRSP-UHFFFAOYSA-N 1 1 310.350 2.377 20 5 DEBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000430262368 269128333 /nfs/dbraw/zinc/12/83/33/269128333.db2.gz TWQMJJQDSTWLHZ-CQSZACIVSA-N 1 1 311.769 2.206 20 5 DEBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000443345549 269136597 /nfs/dbraw/zinc/13/65/97/269136597.db2.gz SENWJPGSMKIXQW-WWGRRREGSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+]1Cc1ccccc1 ZINC000413529034 274360810 /nfs/dbraw/zinc/36/08/10/274360810.db2.gz FYRSKJUXMALFNU-CYBMUJFWSA-N 1 1 315.377 2.039 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000252656404 277181358 /nfs/dbraw/zinc/18/13/58/277181358.db2.gz GGIOLVZLBIWIGJ-ZFWWWQNUSA-N 1 1 303.362 2.151 20 5 DEBDMO CNc1c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000320624478 277301600 /nfs/dbraw/zinc/30/16/00/277301600.db2.gz SABXUZCYJQOTFA-LLVKDONJSA-N 1 1 308.382 2.095 20 5 DEBDMO COC(=O)CC1(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000440774636 277314124 /nfs/dbraw/zinc/31/41/24/277314124.db2.gz KAPZSTMIBZODKT-UHFFFAOYSA-N 1 1 304.346 2.296 20 5 DEBDMO COC(=O)CC1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000440774636 277314125 /nfs/dbraw/zinc/31/41/25/277314125.db2.gz KAPZSTMIBZODKT-UHFFFAOYSA-N 1 1 304.346 2.296 20 5 DEBDMO COc1cc(C[N@@H+]2[C@H](C)CCC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000184266981 277377823 /nfs/dbraw/zinc/37/78/23/277377823.db2.gz PBISNVRSCQUJJH-PWSUYJOCSA-N 1 1 312.341 2.478 20 5 DEBDMO COc1cc(C[N@H+]2[C@H](C)CCC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000184266981 277377824 /nfs/dbraw/zinc/37/78/24/277377824.db2.gz PBISNVRSCQUJJH-PWSUYJOCSA-N 1 1 312.341 2.478 20 5 DEBDMO C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000186771859 278134746 /nfs/dbraw/zinc/13/47/46/278134746.db2.gz OJKWKZBBYULBLY-NSHDSACASA-N 1 1 323.368 2.390 20 5 DEBDMO CC(=O)c1ccc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000272214070 278247776 /nfs/dbraw/zinc/24/77/76/278247776.db2.gz QTDVFKJCMYGAIO-MLGOLLRUSA-N 1 1 303.362 2.328 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340315324 279354893 /nfs/dbraw/zinc/35/48/93/279354893.db2.gz WZEQFZRWXALUTP-UHFFFAOYSA-N 1 1 307.394 2.329 20 5 DEBDMO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC[N@H+]1C ZINC000343441128 280105995 /nfs/dbraw/zinc/10/59/95/280105995.db2.gz BTCWLEOIAWREFZ-ZANVPECISA-N 1 1 311.769 2.461 20 5 DEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000054620221 281480320 /nfs/dbraw/zinc/48/03/20/281480320.db2.gz CKCATVXNKQPUOV-LLVKDONJSA-N 1 1 316.361 2.474 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284848498 290251165 /nfs/dbraw/zinc/25/11/65/290251165.db2.gz RKQACEBYVKPMMK-WQVCFCJDSA-N 1 1 305.378 2.061 20 5 DEBDMO Cc1nc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000295742448 293297461 /nfs/dbraw/zinc/29/74/61/293297461.db2.gz YMCRAMHONCSIFM-LLVKDONJSA-N 1 1 305.382 2.004 20 5 DEBDMO Cc1ccnc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488716016 302272159 /nfs/dbraw/zinc/27/21/59/302272159.db2.gz QICLWMJCLKPDAA-KWCYVHTRSA-N 1 1 304.394 2.465 20 5 DEBDMO CC(F)(F)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000583852877 337342776 /nfs/dbraw/zinc/34/27/76/337342776.db2.gz YLUWKZWCPARTAH-UHFFFAOYSA-N 1 1 300.309 2.157 20 5 DEBDMO C[C@H]1COCC[N@@H+]1CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000413002228 534028409 /nfs/dbraw/zinc/02/84/09/534028409.db2.gz QVCVFUDNZYDQMR-ZDUSSCGKSA-N 1 1 316.361 2.179 20 5 DEBDMO C[C@H]1COCC[N@H+]1CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000413002228 534028416 /nfs/dbraw/zinc/02/84/16/534028416.db2.gz QVCVFUDNZYDQMR-ZDUSSCGKSA-N 1 1 316.361 2.179 20 5 DEBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c2ncccc12)[NH+]1CCOCC1 ZINC000413051489 534091911 /nfs/dbraw/zinc/09/19/11/534091911.db2.gz LDEPBYOAYYGHID-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000156286345 524896083 /nfs/dbraw/zinc/89/60/83/524896083.db2.gz ZUKWBATWIRBAQZ-ABAIWWIYSA-N 1 1 323.368 2.075 20 5 DEBDMO Cc1c(CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249365763 525703969 /nfs/dbraw/zinc/70/39/69/525703969.db2.gz MKJSJSBMTFIBBL-ZDUSSCGKSA-N 1 1 321.421 2.180 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000299352948 529010844 /nfs/dbraw/zinc/01/08/44/529010844.db2.gz HIAHSBYRKYYJCW-AWEZNQCLSA-N 1 1 319.405 2.374 20 5 DEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000456334817 535851847 /nfs/dbraw/zinc/85/18/47/535851847.db2.gz ABMYDXZGGIYLLD-CQSZACIVSA-N 1 1 305.378 2.460 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000493067021 536362488 /nfs/dbraw/zinc/36/24/88/536362488.db2.gz UZGQQRFCRLINHD-VFNNOXKTSA-N 1 1 317.389 2.456 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000374903750 536460802 /nfs/dbraw/zinc/46/08/02/536460802.db2.gz QTFFVQIRTNQXDQ-QNQFUXMYSA-N 1 1 315.373 2.161 20 5 DEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC[N@@H+](C)C(C)C ZINC000450301812 537014824 /nfs/dbraw/zinc/01/48/24/537014824.db2.gz JJBOQVYQMFABJZ-UHFFFAOYSA-N 1 1 318.377 2.326 20 5 DEBDMO Cc1ccc(COC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000835481426 649927443 /nfs/dbraw/zinc/92/74/43/649927443.db2.gz VDICRRFLVHXLMJ-ZDUSSCGKSA-N 1 1 324.402 2.384 20 5 DEBDMO Cc1ccc(COC(=O)C[N@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000835481426 649927446 /nfs/dbraw/zinc/92/74/46/649927446.db2.gz VDICRRFLVHXLMJ-ZDUSSCGKSA-N 1 1 324.402 2.384 20 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CC[C@@H]1C[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CCCO1 ZINC000894246271 636545565 /nfs/dbraw/zinc/54/55/65/636545565.db2.gz QKBIMBAJSXJTLD-GFCCVEGCSA-N 1 1 310.350 2.310 20 5 DEBDMO CC[C@@H]1C[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CCCO1 ZINC000894246271 636545569 /nfs/dbraw/zinc/54/55/69/636545569.db2.gz QKBIMBAJSXJTLD-GFCCVEGCSA-N 1 1 310.350 2.310 20 5 DEBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@H+]2C2CCOCC2)c(F)c1 ZINC000922956334 636883835 /nfs/dbraw/zinc/88/38/35/636883835.db2.gz YEEGMAGVTZTYNU-OAHLLOKOSA-N 1 1 323.368 2.077 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c(F)c1 ZINC000922956334 636883840 /nfs/dbraw/zinc/88/38/40/636883840.db2.gz YEEGMAGVTZTYNU-OAHLLOKOSA-N 1 1 323.368 2.077 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000923296661 637097662 /nfs/dbraw/zinc/09/76/62/637097662.db2.gz VFTXOXARZJBDHK-NWDGAFQWSA-N 1 1 307.325 2.043 20 5 DEBDMO C[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000923389266 637155779 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304.350 2.321 20 5 DEBDMO Cc1nn(C[N@@H+]2CCOCC[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000774658423 641938060 /nfs/dbraw/zinc/93/80/60/641938060.db2.gz ABJXTYMPWFPASJ-NSHDSACASA-N 1 1 304.350 2.321 20 5 DEBDMO C[C@@H]1[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000842369889 650719815 /nfs/dbraw/zinc/71/98/15/650719815.db2.gz PMAVXKURDNIQKA-MIGQKNRLSA-N 1 1 318.373 2.248 20 5 DEBDMO C[C@@H]1[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000842369889 650719817 /nfs/dbraw/zinc/71/98/17/650719817.db2.gz PMAVXKURDNIQKA-MIGQKNRLSA-N 1 1 318.373 2.248 20 5 DEBDMO C[C@@H]1[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000842369889 650719821 /nfs/dbraw/zinc/71/98/21/650719821.db2.gz PMAVXKURDNIQKA-MIGQKNRLSA-N 1 1 318.373 2.248 20 5 DEBDMO COC(=O)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776586780 642188268 /nfs/dbraw/zinc/18/82/68/642188268.db2.gz PHSBWJQBISEBGF-OAHLLOKOSA-N 1 1 322.361 2.046 20 5 DEBDMO COC(=O)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776586780 642188270 /nfs/dbraw/zinc/18/82/70/642188270.db2.gz PHSBWJQBISEBGF-OAHLLOKOSA-N 1 1 322.361 2.046 20 5 DEBDMO CC(C)CO[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587109 642189541 /nfs/dbraw/zinc/18/95/41/642189541.db2.gz UIVPAGOHAJUPEC-CVEARBPZSA-N 1 1 308.378 2.375 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000776589116 642189746 /nfs/dbraw/zinc/18/97/46/642189746.db2.gz PLNSPOCTBPOSHK-HNNXBMFYSA-N 1 1 306.362 2.131 20 5 DEBDMO COc1ccccc1[C@H](CNCC[N+](=O)[O-])[NH+]1CCCCC1 ZINC000899869819 642197788 /nfs/dbraw/zinc/19/77/88/642197788.db2.gz APLXZLMMIKRTKF-HNNXBMFYSA-N 1 1 307.394 2.089 20 5 DEBDMO COc1ccccc1[C@@H](CNCC[N+](=O)[O-])[NH+]1CCCCC1 ZINC000899869820 642197811 /nfs/dbraw/zinc/19/78/11/642197811.db2.gz APLXZLMMIKRTKF-OAHLLOKOSA-N 1 1 307.394 2.089 20 5 DEBDMO Cc1nn(C[N@H+]2CCC[C@@H]2C2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000776770843 642206345 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COc1cc([C@H](C)[NH2+]Cc2cc(C)nn2C)cc([N+](=O)[O-])c1 ZINC000903164548 643273178 /nfs/dbraw/zinc/27/31/78/643273178.db2.gz IOAAPENMCGMQQM-NSHDSACASA-N 1 1 304.350 2.496 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@@H]1C[NH3+] ZINC000904411508 643662126 /nfs/dbraw/zinc/66/21/26/643662126.db2.gz LIKRKWNKBNEEDS-NXEZZACHSA-N 1 1 313.785 2.371 20 5 DEBDMO CC[C@H]1CC[N@@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000793818357 644308197 /nfs/dbraw/zinc/30/81/97/644308197.db2.gz DFCMCBWALVKRRO-LBPRGKRZSA-N 1 1 304.350 2.279 20 5 DEBDMO CC[C@H]1CC[N@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000793818357 644308200 /nfs/dbraw/zinc/30/82/00/644308200.db2.gz DFCMCBWALVKRRO-LBPRGKRZSA-N 1 1 304.350 2.279 20 5 DEBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000794626988 644447956 /nfs/dbraw/zinc/44/79/56/644447956.db2.gz ZDAWLXFTHKXWML-LLVKDONJSA-N 1 1 303.318 2.335 20 5 DEBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000794626988 644447959 /nfs/dbraw/zinc/44/79/59/644447959.db2.gz ZDAWLXFTHKXWML-LLVKDONJSA-N 1 1 303.318 2.335 20 5 DEBDMO Cc1ccncc1C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796506157 644747047 /nfs/dbraw/zinc/74/70/47/644747047.db2.gz KRJHKQHADMNXDO-INIZCTEOSA-N 1 1 301.346 2.464 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000802137958 645487544 /nfs/dbraw/zinc/48/75/44/645487544.db2.gz XUVNUSHOFOPVIP-AWEZNQCLSA-N 1 1 322.361 2.169 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000843787028 651029466 /nfs/dbraw/zinc/02/94/66/651029466.db2.gz LBUQSEPKHWEFRD-SECBINFHSA-N 1 1 309.341 2.255 20 5 DEBDMO CC1(C)CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000804631167 645799505 /nfs/dbraw/zinc/79/95/05/645799505.db2.gz OITMKFKSKCICIU-UHFFFAOYSA-N 1 1 313.785 2.141 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000840092708 645944723 /nfs/dbraw/zinc/94/47/23/645944723.db2.gz WVVFMGZFXYUQRO-CYBMUJFWSA-N 1 1 317.393 2.236 20 5 DEBDMO CO[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000840125539 646008906 /nfs/dbraw/zinc/00/89/06/646008906.db2.gz MMHGKKXPYVPWHU-IAQYHMDHSA-N 1 1 304.350 2.259 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(C2OCCO2)CC1 ZINC000171668273 646709918 /nfs/dbraw/zinc/70/99/18/646709918.db2.gz QLWUIPMBEDJIKO-UHFFFAOYSA-N 1 1 310.325 2.319 20 5 DEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC12CC[NH+](CC1)C2 ZINC000913625191 646977447 /nfs/dbraw/zinc/97/74/47/646977447.db2.gz DOUFYOHLBYLVBE-NSHDSACASA-N 1 1 321.402 2.040 20 5 DEBDMO C[C@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578406 647032273 /nfs/dbraw/zinc/03/22/73/647032273.db2.gz NOLATEKBQZMSQF-SMDDNHRTSA-N 1 1 304.394 2.312 20 5 DEBDMO C[C@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578406 647032280 /nfs/dbraw/zinc/03/22/80/647032280.db2.gz NOLATEKBQZMSQF-SMDDNHRTSA-N 1 1 304.394 2.312 20 5 DEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@H]2C1 ZINC000816952492 647204606 /nfs/dbraw/zinc/20/46/06/647204606.db2.gz MDUXIKBQHIPJQD-MFKMUULPSA-N 1 1 309.753 2.024 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](CCO)CC2)c1 ZINC000817297236 647261616 /nfs/dbraw/zinc/26/16/16/647261616.db2.gz PABFLHZBLHIWPZ-BBRMVZONSA-N 1 1 308.378 2.113 20 5 DEBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925408217 647296017 /nfs/dbraw/zinc/29/60/17/647296017.db2.gz PMBLNKNBYWPOIB-HNNXBMFYSA-N 1 1 320.393 2.219 20 5 DEBDMO COC[C@H](CCC[NH3+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817907153 647379236 /nfs/dbraw/zinc/37/92/36/647379236.db2.gz KTOSLYXSQHQQLM-NSHDSACASA-N 1 1 301.774 2.092 20 5 DEBDMO COCC[N@H+]1CC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000731208244 647456608 /nfs/dbraw/zinc/45/66/08/647456608.db2.gz BCKBKPVZCROUMQ-SNVBAGLBSA-N 1 1 322.390 2.337 20 5 DEBDMO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818984353 647557825 /nfs/dbraw/zinc/55/78/25/647557825.db2.gz FJVCOHQLIQNBPN-YOEHRIQHSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818984353 647557827 /nfs/dbraw/zinc/55/78/27/647557827.db2.gz FJVCOHQLIQNBPN-YOEHRIQHSA-N 1 1 321.421 2.338 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)cc1N1CC(C[NH+]2CCOCC2)C1 ZINC000820591045 647876257 /nfs/dbraw/zinc/87/62/57/647876257.db2.gz AXKASOQSHUAOEI-UHFFFAOYSA-N 1 1 311.769 2.017 20 5 DEBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCCC[C@@H]23)nc2ccccn21 ZINC000917073770 647963461 /nfs/dbraw/zinc/96/34/61/647963461.db2.gz ZONPHPUKRUHJFA-RYUDHWBXSA-N 1 1 301.350 2.281 20 5 DEBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc2ccccn21 ZINC000917082668 647963877 /nfs/dbraw/zinc/96/38/77/647963877.db2.gz XBAMRMSVGCMPTC-NEPJUHHUSA-N 1 1 301.350 2.281 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=S)NCc1cccc([N+](=O)[O-])c1 ZINC000921272384 648285176 /nfs/dbraw/zinc/28/51/76/648285176.db2.gz WWSHRAKHCVNBMH-AWEZNQCLSA-N 1 1 322.434 2.043 20 5 DEBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000825768519 648811232 /nfs/dbraw/zinc/81/12/32/648811232.db2.gz PRSTWEUDVIHIBJ-UHFFFAOYSA-N 1 1 309.341 2.290 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827288266 649008426 /nfs/dbraw/zinc/00/84/26/649008426.db2.gz NIJDMSNAKXMFJY-JQWIXIFHSA-N 1 1 323.780 2.414 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827310088 649012474 /nfs/dbraw/zinc/01/24/74/649012474.db2.gz JQCATNDPBBLQNT-FZMZJTMJSA-N 1 1 321.352 2.209 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000830219308 649411563 /nfs/dbraw/zinc/41/15/63/649411563.db2.gz NRUFMPOHVKXPRT-HZPDHXFCSA-N 1 1 306.362 2.129 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000830219308 649411564 /nfs/dbraw/zinc/41/15/64/649411564.db2.gz NRUFMPOHVKXPRT-HZPDHXFCSA-N 1 1 306.362 2.129 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844323910 651112096 /nfs/dbraw/zinc/11/20/96/651112096.db2.gz RXNDTJYELGKBRX-OAHLLOKOSA-N 1 1 319.361 2.052 20 5 DEBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000844423409 651126832 /nfs/dbraw/zinc/12/68/32/651126832.db2.gz ZPPDFZQHERJMSN-IUODEOHRSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000844423409 651126834 /nfs/dbraw/zinc/12/68/34/651126834.db2.gz ZPPDFZQHERJMSN-IUODEOHRSA-N 1 1 306.362 2.272 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(C)OCCCO1 ZINC000850464313 651934499 /nfs/dbraw/zinc/93/44/99/651934499.db2.gz DTEMKODZSFFUEP-NSHDSACASA-N 1 1 310.350 2.407 20 5 DEBDMO Cc1noc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c1[N+](=O)[O-] ZINC000851989212 652304363 /nfs/dbraw/zinc/30/43/63/652304363.db2.gz HJBOZQGQTCNRIQ-NSHDSACASA-N 1 1 305.338 2.004 20 5 DEBDMO Cc1noc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1[N+](=O)[O-] ZINC000851989212 652304370 /nfs/dbraw/zinc/30/43/70/652304370.db2.gz HJBOZQGQTCNRIQ-NSHDSACASA-N 1 1 305.338 2.004 20 5 DEBDMO Cc1noc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c1[N+](=O)[O-] ZINC000852193104 652361434 /nfs/dbraw/zinc/36/14/34/652361434.db2.gz XXUYELZYGPPBQR-OAHLLOKOSA-N 1 1 305.334 2.231 20 5 DEBDMO Cc1noc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c1[N+](=O)[O-] ZINC000852193104 652361436 /nfs/dbraw/zinc/36/14/36/652361436.db2.gz XXUYELZYGPPBQR-OAHLLOKOSA-N 1 1 305.334 2.231 20 5 DEBDMO CCOCC[NH+]1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000853279598 652532928 /nfs/dbraw/zinc/53/29/28/652532928.db2.gz SNIAWHHFGWCWFJ-UHFFFAOYSA-N 1 1 323.393 2.070 20 5 DEBDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000853773665 652601948 /nfs/dbraw/zinc/60/19/48/652601948.db2.gz LNTGGIDADCHQRD-LBPRGKRZSA-N 1 1 312.389 2.418 20 5 DEBDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000853773665 652601950 /nfs/dbraw/zinc/60/19/50/652601950.db2.gz LNTGGIDADCHQRD-LBPRGKRZSA-N 1 1 312.389 2.418 20 5 DEBDMO Cc1noc(COC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000853898264 652618835 /nfs/dbraw/zinc/61/88/35/652618835.db2.gz AFLMGUUJVFMNCD-NGZCFLSTSA-N 1 1 311.338 2.196 20 5 DEBDMO Cc1noc(COC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000853898264 652618837 /nfs/dbraw/zinc/61/88/37/652618837.db2.gz AFLMGUUJVFMNCD-NGZCFLSTSA-N 1 1 311.338 2.196 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc1Cl ZINC000928429743 693777713 /nfs/dbraw/zinc/77/77/13/693777713.db2.gz DMRPVXHMSBQBDN-SKDRFNHKSA-N 1 1 311.769 2.379 20 5 DEBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@@H](CO)C2)c1 ZINC000929696348 694006911 /nfs/dbraw/zinc/00/69/11/694006911.db2.gz LCRNMVDLECZCNI-SECBINFHSA-N 1 1 315.167 2.172 20 5 DEBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@@H](CO)C2)c1 ZINC000929696348 694006913 /nfs/dbraw/zinc/00/69/13/694006913.db2.gz LCRNMVDLECZCNI-SECBINFHSA-N 1 1 315.167 2.172 20 5 DEBDMO O=[N+]([O-])c1cc(CO)c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000865447377 687215302 /nfs/dbraw/zinc/21/53/02/687215302.db2.gz HDKAOAONNUPHMG-RYUDHWBXSA-N 1 1 309.341 2.265 20 5 DEBDMO Cc1nnc(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000930141080 694098861 /nfs/dbraw/zinc/09/88/61/694098861.db2.gz PJMJCETVHJAGLJ-UHFFFAOYSA-N 1 1 302.334 2.493 20 5 DEBDMO C[C@@](CO)([NH2+]Cc1ccc(F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000865705316 687308000 /nfs/dbraw/zinc/30/80/00/687308000.db2.gz NMKYJVOZTBPJFK-HNNXBMFYSA-N 1 1 305.309 2.126 20 5 DEBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccnn1C ZINC000865839848 687350198 /nfs/dbraw/zinc/35/01/98/687350198.db2.gz VJUDBIXLFNVDQX-SNVBAGLBSA-N 1 1 318.333 2.046 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000866206938 687491870 /nfs/dbraw/zinc/49/18/70/687491870.db2.gz GUOQGMGOEZVIJH-HZMBPMFUSA-N 1 1 301.350 2.002 20 5 DEBDMO C[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000867951839 687846842 /nfs/dbraw/zinc/84/68/42/687846842.db2.gz NOGZKGXZFRTYRO-WBMJQRKESA-N 1 1 305.378 2.417 20 5 DEBDMO C[C@]([NH3+])(C(=O)N1C[C@@H]2CC=CC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000867991994 687865717 /nfs/dbraw/zinc/86/57/17/687865717.db2.gz HZBVDGWWLRIULG-IIYDPXPESA-N 1 1 315.373 2.193 20 5 DEBDMO Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000868367242 687992815 /nfs/dbraw/zinc/99/28/15/687992815.db2.gz IEBFCIRZGKDWPJ-AWEZNQCLSA-N 1 1 320.393 2.044 20 5 DEBDMO Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000869054377 688208161 /nfs/dbraw/zinc/20/81/61/688208161.db2.gz LEOIJBCITXDAOU-AWEZNQCLSA-N 1 1 320.393 2.139 20 5 DEBDMO CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](CC)C1 ZINC000869247341 688253272 /nfs/dbraw/zinc/25/32/72/688253272.db2.gz IFDFMPAPUJVVKM-CYBMUJFWSA-N 1 1 323.368 2.219 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1 ZINC000871153547 688736824 /nfs/dbraw/zinc/73/68/24/688736824.db2.gz PVFQXFIINKNXML-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO COc1ccc(NC(=O)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000930772913 694237946 /nfs/dbraw/zinc/23/79/46/694237946.db2.gz JSRLNCYZIGJDBM-LLVKDONJSA-N 1 1 322.365 2.209 20 5 DEBDMO CCc1nncn1CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872042238 688918313 /nfs/dbraw/zinc/91/83/13/688918313.db2.gz ZXIQNQJPRNMZBW-JTQLQIEISA-N 1 1 307.329 2.239 20 5 DEBDMO COc1cc(N2CC[C@H]3[C@H]2CCC[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000872779852 689091763 /nfs/dbraw/zinc/09/17/63/689091763.db2.gz JAYBZOPQZNEOAD-NWDGAFQWSA-N 1 1 309.341 2.415 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000930864188 694257816 /nfs/dbraw/zinc/25/78/16/694257816.db2.gz SPUGZWODQQVVLM-BETUJISGSA-N 1 1 318.377 2.237 20 5 DEBDMO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000930910846 694269398 /nfs/dbraw/zinc/26/93/98/694269398.db2.gz JJZOXISPWCCHOB-CKYFFXLPSA-N 1 1 309.341 2.208 20 5 DEBDMO CSC1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000877124690 690023949 /nfs/dbraw/zinc/02/39/49/690023949.db2.gz ZHGFOLLMRAVCRY-OAHLLOKOSA-N 1 1 323.418 2.123 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931195251 694337265 /nfs/dbraw/zinc/33/72/65/694337265.db2.gz VIFGOGSHWAXPAQ-NSHDSACASA-N 1 1 316.361 2.462 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931195251 694337269 /nfs/dbraw/zinc/33/72/69/694337269.db2.gz VIFGOGSHWAXPAQ-NSHDSACASA-N 1 1 316.361 2.462 20 5 DEBDMO Cc1ccc(C[NH2+]Cc2cc3c(cn2)OCCO3)cc1[N+](=O)[O-] ZINC000877729874 690207411 /nfs/dbraw/zinc/20/74/11/690207411.db2.gz DQXIPZUTNFGMHN-UHFFFAOYSA-N 1 1 315.329 2.359 20 5 DEBDMO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCOC1 ZINC000878167790 690333826 /nfs/dbraw/zinc/33/38/26/690333826.db2.gz JWYZNINHFVQBKS-NSHDSACASA-N 1 1 318.333 2.113 20 5 DEBDMO CC(C)(O)C[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000878203051 690346283 /nfs/dbraw/zinc/34/62/83/690346283.db2.gz WONPXLAVIZKVKL-OAHLLOKOSA-N 1 1 308.378 2.081 20 5 DEBDMO C[N@@H+]1C[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C[C@H]2C1 ZINC000931297522 694359904 /nfs/dbraw/zinc/35/99/04/694359904.db2.gz JYAYXPYDXXOYMA-AOOOYVTPSA-N 1 1 324.768 2.274 20 5 DEBDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878600626 690451191 /nfs/dbraw/zinc/45/11/91/690451191.db2.gz CMGHZRUUQHJYQC-PHIMTYICSA-N 1 1 318.333 2.254 20 5 DEBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878600626 690451193 /nfs/dbraw/zinc/45/11/93/690451193.db2.gz CMGHZRUUQHJYQC-PHIMTYICSA-N 1 1 318.333 2.254 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000878876861 690518888 /nfs/dbraw/zinc/51/88/88/690518888.db2.gz WFCVFIIMFRCCBM-LSDHHAIUSA-N 1 1 302.334 2.188 20 5 DEBDMO COC[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000879161838 690581254 /nfs/dbraw/zinc/58/12/54/690581254.db2.gz DRHFZGPRHWDCLT-GFCCVEGCSA-N 1 1 323.176 2.389 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879583737 690681114 /nfs/dbraw/zinc/68/11/14/690681114.db2.gz ZPRYLQAPCLPGFX-SWLSCSKDSA-N 1 1 305.378 2.129 20 5 DEBDMO COc1cc(C[NH2+][C@@H](C)c2ccnn2C)c([N+](=O)[O-])cc1F ZINC000879687218 690706543 /nfs/dbraw/zinc/70/65/43/690706543.db2.gz PPGQOZZLTVFUIM-VIFPVBQESA-N 1 1 308.313 2.327 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880004468 690778868 /nfs/dbraw/zinc/77/88/68/690778868.db2.gz LQDHDSSRTNWGML-NSHDSACASA-N 1 1 306.288 2.374 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880004467 690779290 /nfs/dbraw/zinc/77/92/90/690779290.db2.gz LQDHDSSRTNWGML-LLVKDONJSA-N 1 1 306.288 2.374 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](CF)C3)n2)cc1 ZINC000880297662 690862848 /nfs/dbraw/zinc/86/28/48/690862848.db2.gz RGAZTWDFMGGECH-SNVBAGLBSA-N 1 1 306.297 2.436 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](CF)C3)n2)cc1 ZINC000880297662 690862850 /nfs/dbraw/zinc/86/28/50/690862850.db2.gz RGAZTWDFMGGECH-SNVBAGLBSA-N 1 1 306.297 2.436 20 5 DEBDMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000880310458 690866959 /nfs/dbraw/zinc/86/69/59/690866959.db2.gz WNQXCXVPUBLNCI-BETUJISGSA-N 1 1 323.780 2.158 20 5 DEBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000880310458 690866963 /nfs/dbraw/zinc/86/69/63/690866963.db2.gz WNQXCXVPUBLNCI-BETUJISGSA-N 1 1 323.780 2.158 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](C)CC[C@@H]1CO ZINC000880438331 690899343 /nfs/dbraw/zinc/89/93/43/690899343.db2.gz BUIZNUYJLPOPPU-TZMCWYRMSA-N 1 1 321.377 2.077 20 5 DEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000931495322 694412760 /nfs/dbraw/zinc/41/27/60/694412760.db2.gz ISCWIBBXKSNNGD-GXFFZTMASA-N 1 1 306.366 2.371 20 5 DEBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000882701060 691342905 /nfs/dbraw/zinc/34/29/05/691342905.db2.gz XJNOTWBQHCZLLI-STQMWFEESA-N 1 1 303.362 2.328 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000882961347 691398314 /nfs/dbraw/zinc/39/83/14/691398314.db2.gz LNTIVYQZMHGNJH-CYBMUJFWSA-N 1 1 320.393 2.239 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000884003991 691630879 /nfs/dbraw/zinc/63/08/79/691630879.db2.gz YXEMNDLDWOFLLI-CYBMUJFWSA-N 1 1 308.407 2.366 20 5 DEBDMO COc1cc(CN2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)c([N+](=O)[O-])cc1F ZINC000931719571 694463469 /nfs/dbraw/zinc/46/34/69/694463469.db2.gz DFUSRXYRYKXSEB-OLZOCXBDSA-N 1 1 323.368 2.411 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000884483279 691748523 /nfs/dbraw/zinc/74/85/23/691748523.db2.gz QRTRGQCEDCQIDM-WBMJQRKESA-N 1 1 316.361 2.403 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886570807 692112901 /nfs/dbraw/zinc/11/29/01/692112901.db2.gz XPCVXMLLCKIYGO-PHIMTYICSA-N 1 1 309.347 2.298 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886836293 692205616 /nfs/dbraw/zinc/20/56/16/692205616.db2.gz YMYBVRBDDRTVIA-BBRMVZONSA-N 1 1 306.362 2.475 20 5 DEBDMO COc1ccc(C(=O)NCC[N@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000890081743 692859470 /nfs/dbraw/zinc/85/94/70/692859470.db2.gz MJTKWBMGARRGMH-UHFFFAOYSA-N 1 1 321.377 2.065 20 5 DEBDMO Cc1cnc(COC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000890153382 692876908 /nfs/dbraw/zinc/87/69/08/692876908.db2.gz UGBNFFQOUMPKLW-AAEUAGOBSA-N 1 1 321.377 2.380 20 5 DEBDMO CCC[N@@H+](CC)CCNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001333736311 1150084918 /nfs/dbraw/zinc/08/49/18/1150084918.db2.gz AVSYYASFCCXPGT-UHFFFAOYSA-N 1 1 311.382 2.131 20 5 DEBDMO Cc1[nH+]ccn1Cc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC001333736088 1150085076 /nfs/dbraw/zinc/08/50/76/1150085076.db2.gz QINLURXXJFFASI-UHFFFAOYSA-N 1 1 313.317 2.430 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001350076099 1151322108 /nfs/dbraw/zinc/32/21/08/1151322108.db2.gz BCPXJDRXJTTXEO-GMXVVIOVSA-N 1 1 321.352 2.112 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)n1 ZINC001545773754 1173202036 /nfs/dbraw/zinc/20/20/36/1173202036.db2.gz SFVVQQPXZYAJGM-ZDUSSCGKSA-N 1 1 320.393 2.006 20 5 DEBDMO CCC(=O)NCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001333268840 1150022713 /nfs/dbraw/zinc/02/27/13/1150022713.db2.gz IXIIGHPNVHOEQY-UHFFFAOYSA-N 1 1 303.362 2.253 20 5 DEBDMO CCC(=O)NCC1=CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001333268840 1150022719 /nfs/dbraw/zinc/02/27/19/1150022719.db2.gz IXIIGHPNVHOEQY-UHFFFAOYSA-N 1 1 303.362 2.253 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168623441 780607878 /nfs/dbraw/zinc/60/78/78/780607878.db2.gz UHGSMYOHTLCGLL-NSHDSACASA-N 1 1 311.769 2.462 20 5 DEBDMO O=C(Nc1c[nH+]ccc1Nc1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC001144349244 790870449 /nfs/dbraw/zinc/87/04/49/790870449.db2.gz DGZHQLALDRSMSA-UHFFFAOYSA-N 1 1 324.300 2.131 20 5 DEBDMO C[N@@H+]1CCCC[C@H]1C(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000745079950 784674250 /nfs/dbraw/zinc/67/42/50/784674250.db2.gz NSIQRSSRSHRAKX-HNNXBMFYSA-N 1 1 322.361 2.391 20 5 DEBDMO C[N@H+]1CCCC[C@H]1C(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000745079950 784674255 /nfs/dbraw/zinc/67/42/55/784674255.db2.gz NSIQRSSRSHRAKX-HNNXBMFYSA-N 1 1 322.361 2.391 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCCN(c3ccc(F)cn3)CC2)C1 ZINC001169007659 785000135 /nfs/dbraw/zinc/00/01/35/785000135.db2.gz OZXVGYWVJTWMIA-DZGCQCFKSA-N 1 1 322.384 2.178 20 5 DEBDMO COC(=O)c1cccc2c1CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169048433 785021227 /nfs/dbraw/zinc/02/12/27/785021227.db2.gz UZJZQJJUVGCJEC-OCCSQVGLSA-N 1 1 318.373 2.277 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170334808 786914768 /nfs/dbraw/zinc/91/47/68/786914768.db2.gz JAONLRJBJFHUIT-BNOWGMLFSA-N 1 1 306.362 2.113 20 5 DEBDMO COc1ccc(C[C@@H](C)N2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170343147 786928923 /nfs/dbraw/zinc/92/89/23/786928923.db2.gz NZEPZFFOJXCIDL-UKRRQHHQSA-N 1 1 319.405 2.314 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC001170351541 786931878 /nfs/dbraw/zinc/93/18/78/786931878.db2.gz CXNYRNQMVNDUMD-LRDDRELGSA-N 1 1 306.362 2.399 20 5 DEBDMO [NH3+]Cc1ccc2cn(-c3ccc4[nH]cnc4c3[N+](=O)[O-])nc2c1 ZINC001171323044 791699136 /nfs/dbraw/zinc/69/91/36/791699136.db2.gz GZOVZNYHQYPFFN-UHFFFAOYSA-N 1 1 308.301 2.269 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000129131051 791809261 /nfs/dbraw/zinc/80/92/61/791809261.db2.gz AERPTUKRQVGGNM-MLGOLLRUSA-N 1 1 316.361 2.403 20 5 DEBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001093952486 792658634 /nfs/dbraw/zinc/65/86/34/792658634.db2.gz GCDCJVKZMKAYQB-UHFFFAOYSA-N 1 1 322.409 2.162 20 5 DEBDMO COC(=O)[C@H]1CCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906665 793523668 /nfs/dbraw/zinc/52/36/68/793523668.db2.gz XUZIIDNTCUQJAA-GDBMZVCRSA-N 1 1 318.373 2.480 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](F)[C@@H](O)C1)CC2 ZINC001172907152 793524119 /nfs/dbraw/zinc/52/41/19/793524119.db2.gz DPZAALMOXFHGQV-BMFZPTHFSA-N 1 1 308.353 2.247 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C2(C)COC2)c1F ZINC001173195352 793624910 /nfs/dbraw/zinc/62/49/10/793624910.db2.gz FADIAXWXOHCBHF-SNVBAGLBSA-N 1 1 312.341 2.394 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)C2(C)COC2)c1F ZINC001173195352 793624915 /nfs/dbraw/zinc/62/49/15/793624915.db2.gz FADIAXWXOHCBHF-SNVBAGLBSA-N 1 1 312.341 2.394 20 5 DEBDMO Cc1noc(C2([NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173221113 793637693 /nfs/dbraw/zinc/63/76/93/793637693.db2.gz JCGSIAHHLAQQHR-JTQLQIEISA-N 1 1 302.334 2.496 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001173233708 793646336 /nfs/dbraw/zinc/64/63/36/793646336.db2.gz MFYULDRTWBODNL-OCCSQVGLSA-N 1 1 307.369 2.254 20 5 DEBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001173238174 793654692 /nfs/dbraw/zinc/65/46/92/793654692.db2.gz OJIMLZDEDLGOIX-CJNGLKHVSA-N 1 1 317.389 2.223 20 5 DEBDMO COC(=O)[C@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC001173238742 793656497 /nfs/dbraw/zinc/65/64/97/793656497.db2.gz XDODJTYSCYHSOW-HUBLWGQQSA-N 1 1 306.362 2.267 20 5 DEBDMO CN(CC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001177027030 794560543 /nfs/dbraw/zinc/56/05/43/794560543.db2.gz BEGIUNVDPPGWFU-CYBMUJFWSA-N 1 1 315.414 2.375 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001178709024 794983138 /nfs/dbraw/zinc/98/31/38/794983138.db2.gz JRSAVHSUOGZZNB-AWEZNQCLSA-N 1 1 319.405 2.329 20 5 DEBDMO Cc1cc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC001123359196 795900300 /nfs/dbraw/zinc/90/03/00/795900300.db2.gz FZUGEPOAEVRYIS-ZDUSSCGKSA-N 1 1 306.366 2.461 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246195701 798145288 /nfs/dbraw/zinc/14/52/88/798145288.db2.gz AERPTUKRQVGGNM-BLLLJJGKSA-N 1 1 316.361 2.403 20 5 DEBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)n1 ZINC001157264315 798171880 /nfs/dbraw/zinc/17/18/80/798171880.db2.gz FCXDKAYKFBNIIB-JQWIXIFHSA-N 1 1 310.785 2.482 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC001157265949 798173005 /nfs/dbraw/zinc/17/30/05/798173005.db2.gz MAHWRDQTLTXAOG-XHDPSFHLSA-N 1 1 313.361 2.068 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]21 ZINC001157284381 798177133 /nfs/dbraw/zinc/17/71/33/798177133.db2.gz XOTIBPIHRJIWAH-SMDDNHRTSA-N 1 1 313.361 2.068 20 5 DEBDMO Nc1cc([N+](=O)[O-])cnc1-n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC001157612675 798241953 /nfs/dbraw/zinc/24/19/53/798241953.db2.gz XSKFZZRYUIAATF-UHFFFAOYSA-N 1 1 324.344 2.048 20 5 DEBDMO Cc1ccc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)c(N)c1[N+](=O)[O-] ZINC001158232305 798365135 /nfs/dbraw/zinc/36/51/35/798365135.db2.gz VZQMLFGJPAYGJU-WCQYABFASA-N 1 1 318.377 2.441 20 5 DEBDMO CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160107353 798648328 /nfs/dbraw/zinc/64/83/28/798648328.db2.gz NVQDZOONMMGRNB-HZPDHXFCSA-N 1 1 323.437 2.226 20 5 DEBDMO CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160107353 798648331 /nfs/dbraw/zinc/64/83/31/798648331.db2.gz NVQDZOONMMGRNB-HZPDHXFCSA-N 1 1 323.437 2.226 20 5 DEBDMO CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160107353 798648336 /nfs/dbraw/zinc/64/83/36/798648336.db2.gz NVQDZOONMMGRNB-HZPDHXFCSA-N 1 1 323.437 2.226 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001160557170 798704455 /nfs/dbraw/zinc/70/44/55/798704455.db2.gz SOROMCNPDXDXRN-NSHDSACASA-N 1 1 307.350 2.274 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001160557170 798704458 /nfs/dbraw/zinc/70/44/58/798704458.db2.gz SOROMCNPDXDXRN-NSHDSACASA-N 1 1 307.350 2.274 20 5 DEBDMO Cc1cnc(NCC[C@H]2CC[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001162808335 799180802 /nfs/dbraw/zinc/18/08/02/799180802.db2.gz PYGTWBBWFONNJA-SNVBAGLBSA-N 1 1 300.309 2.345 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3c4ccccc4ncc3[N+](=O)[O-])[C@@H]2C1 ZINC001164380693 799589248 /nfs/dbraw/zinc/58/92/48/799589248.db2.gz ZCNAYIDXFCWPKZ-NJZAAPMLSA-N 1 1 312.373 2.317 20 5 DEBDMO Cc1[nH+]cc2n1CCN(c1ncnc3cc([N+](=O)[O-])ccc31)C2 ZINC001165384895 799717723 /nfs/dbraw/zinc/71/77/23/799717723.db2.gz JHQJHNLJEUWDCA-UHFFFAOYSA-N 1 1 310.317 2.063 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000932729134 799913206 /nfs/dbraw/zinc/91/32/06/799913206.db2.gz VTXKQXVRJRTHLY-UHFFFAOYSA-N 1 1 311.357 2.123 20 5 DEBDMO O=C1N[C@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)CO1 ZINC000932775237 799931185 /nfs/dbraw/zinc/93/11/85/799931185.db2.gz LGNCWLXRWBAMHN-ZDUSSCGKSA-N 1 1 323.324 2.054 20 5 DEBDMO C[C@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC001166969865 799993780 /nfs/dbraw/zinc/99/37/80/799993780.db2.gz VVRMAXVIHYVKQQ-WTIVYXKASA-N 1 1 306.366 2.136 20 5 DEBDMO C[N@H+]1C[C@@H]2CN(Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@]2(C)C1 ZINC000933731484 800173716 /nfs/dbraw/zinc/17/37/16/800173716.db2.gz ASWNNZKVBATFBN-BMIGLBTASA-N 1 1 311.332 2.257 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2C2OCCO2)cc1 ZINC000933894775 800207634 /nfs/dbraw/zinc/20/76/34/800207634.db2.gz LEEKTGXJSYEZGU-OAHLLOKOSA-N 1 1 322.361 2.201 20 5 DEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933926136 800216826 /nfs/dbraw/zinc/21/68/26/800216826.db2.gz AKCRUVBYJVLOJE-UHOFOFEASA-N 1 1 317.389 2.156 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000934120011 800266401 /nfs/dbraw/zinc/26/64/01/800266401.db2.gz VMVNLZAERXDRCK-BYCMXARLSA-N 1 1 321.377 2.339 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000934120011 800266405 /nfs/dbraw/zinc/26/64/05/800266405.db2.gz VMVNLZAERXDRCK-BYCMXARLSA-N 1 1 321.377 2.339 20 5 DEBDMO O=C1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCCCCN1 ZINC000934157422 800276344 /nfs/dbraw/zinc/27/63/44/800276344.db2.gz JIXYRDHDENMMMS-UHFFFAOYSA-N 1 1 309.341 2.226 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934265138 800304138 /nfs/dbraw/zinc/30/41/38/800304138.db2.gz XNSMRWSOPQBKBA-XOKHGSTOSA-N 1 1 319.405 2.187 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934265138 800304143 /nfs/dbraw/zinc/30/41/43/800304143.db2.gz XNSMRWSOPQBKBA-XOKHGSTOSA-N 1 1 319.405 2.187 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934265138 800304150 /nfs/dbraw/zinc/30/41/50/800304150.db2.gz XNSMRWSOPQBKBA-XOKHGSTOSA-N 1 1 319.405 2.187 20 5 DEBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001229377820 801266072 /nfs/dbraw/zinc/26/60/72/801266072.db2.gz RSUNYQVRXSSORL-DRCTWCGVSA-N 1 1 310.737 2.431 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001229377820 801266077 /nfs/dbraw/zinc/26/60/77/801266077.db2.gz RSUNYQVRXSSORL-DRCTWCGVSA-N 1 1 310.737 2.431 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(O[C@@H]3CCc4[nH+]ccn4C3)nc2c1 ZINC001229489434 801283689 /nfs/dbraw/zinc/28/36/89/801283689.db2.gz CBMMRGJNLPIXHZ-SNVBAGLBSA-N 1 1 300.274 2.326 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230231751 801373707 /nfs/dbraw/zinc/37/37/07/801373707.db2.gz RDZLLDNHPNURRG-JTQLQIEISA-N 1 1 305.338 2.118 20 5 DEBDMO CC[N@H+]1CCC[C@@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231057002 801567083 /nfs/dbraw/zinc/56/70/83/801567083.db2.gz WFAVLYAEJRODDM-LLVKDONJSA-N 1 1 302.334 2.401 20 5 DEBDMO C[N@@H+](CCCNC(=O)c1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC001231243309 801614299 /nfs/dbraw/zinc/61/42/99/801614299.db2.gz SHFNXVQSPCNEOG-UHFFFAOYSA-N 1 1 317.345 2.440 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC001214562883 801731251 /nfs/dbraw/zinc/73/12/51/801731251.db2.gz YFDHNQFOAFFXLF-LBPRGKRZSA-N 1 1 306.366 2.461 20 5 DEBDMO Cc1nc(Cl)nc(O[C@H]2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC001227334060 803231768 /nfs/dbraw/zinc/23/17/68/803231768.db2.gz CTGXGYFMURHQPK-VIFPVBQESA-N 1 1 300.746 2.210 20 5 DEBDMO C[N@H+]1CC[C@H](Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)C1 ZINC001227363313 803234079 /nfs/dbraw/zinc/23/40/79/803234079.db2.gz AVONGYKDMPWLEO-QMMMGPOBSA-N 1 1 308.725 2.274 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228758355 803407732 /nfs/dbraw/zinc/40/77/32/803407732.db2.gz DIDNSPPIFRSJEK-LLVKDONJSA-N 1 1 300.742 2.348 20 5 DEBDMO O=[N+]([O-])CC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC001334076038 1150187774 /nfs/dbraw/zinc/18/77/74/1150187774.db2.gz IUCHKJCJKUXLGE-UHFFFAOYSA-N 1 1 308.378 2.213 20 5 DEBDMO CC(C)(C)[NH+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC001335465821 1150424829 /nfs/dbraw/zinc/42/48/29/1150424829.db2.gz MFIHABXAJMCANK-UHFFFAOYSA-N 1 1 309.341 2.290 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CCC(O)CC3)C2)nc1 ZINC001328395742 1148785466 /nfs/dbraw/zinc/78/54/66/1148785466.db2.gz YTIMNUIXCGIXQQ-JVWICGRDSA-N 1 1 320.393 2.027 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CCC(O)CC3)C2)nc1 ZINC001328395744 1148786014 /nfs/dbraw/zinc/78/60/14/1148786014.db2.gz YTIMNUIXCGIXQQ-OWYJLGKBSA-N 1 1 320.393 2.027 20 5 DEBDMO COc1ccc(NC(=O)N2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001526711475 1070337956 /nfs/dbraw/zinc/33/79/56/1070337956.db2.gz LSMLBCXUQRNBKL-UHFFFAOYSA-N 1 1 322.365 2.161 20 5 DEBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCS(=O)CC1 ZINC001459671187 1058200272 /nfs/dbraw/zinc/20/02/72/1058200272.db2.gz UBZXDUQTAUPEHG-UHFFFAOYSA-N 1 1 300.355 2.077 20 5 DEBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCS(=O)CC1 ZINC001459671187 1058200287 /nfs/dbraw/zinc/20/02/87/1058200287.db2.gz UBZXDUQTAUPEHG-UHFFFAOYSA-N 1 1 300.355 2.077 20 5 DEBDMO CC(C)(NC(=O)CC[N@H+]1CC[C@@H](F)C1)c1ccccc1[N+](=O)[O-] ZINC001468485027 1059797836 /nfs/dbraw/zinc/79/78/36/1059797836.db2.gz IXPDUTVXSCWCDJ-GFCCVEGCSA-N 1 1 323.368 2.380 20 5 DEBDMO Cc1noc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC001473839673 1060741947 /nfs/dbraw/zinc/74/19/47/1060741947.db2.gz GQQDRDRXYBXUBK-OAHLLOKOSA-N 1 1 323.324 2.114 20 5 DEBDMO CO[C@H](C)C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001474204357 1060830606 /nfs/dbraw/zinc/83/06/06/1060830606.db2.gz GVPHOCTVNXIXHI-MRVPVSSYSA-N 1 1 303.156 2.482 20 5 DEBDMO CC/C=C\CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001494196567 1064168414 /nfs/dbraw/zinc/16/84/14/1064168414.db2.gz RQUUUNGAGLELCB-KSLSASGISA-N 1 1 323.437 2.178 20 5 DEBDMO CC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001494196567 1064168416 /nfs/dbraw/zinc/16/84/16/1064168416.db2.gz RQUUUNGAGLELCB-KSLSASGISA-N 1 1 323.437 2.178 20 5 DEBDMO CC/C=C\CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001494196567 1064168419 /nfs/dbraw/zinc/16/84/19/1064168419.db2.gz RQUUUNGAGLELCB-KSLSASGISA-N 1 1 323.437 2.178 20 5 DEBDMO CCc1ccc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001617998044 1078150497 /nfs/dbraw/zinc/15/04/97/1078150497.db2.gz INTHCGTYFQLRMK-PBHICJAKSA-N 1 1 317.389 2.181 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001626679066 1078260454 /nfs/dbraw/zinc/26/04/54/1078260454.db2.gz QHRFTAIRFKCREY-NWDGAFQWSA-N 1 1 320.393 2.027 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)C(C)C ZINC001628292557 1078295471 /nfs/dbraw/zinc/29/54/71/1078295471.db2.gz KHTPFTXECNYAPM-UHFFFAOYSA-N 1 1 309.366 2.064 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001637200597 1078508344 /nfs/dbraw/zinc/50/83/44/1078508344.db2.gz NMWGHZDEYLKPOH-NSHDSACASA-N 1 1 306.366 2.236 20 5 DEBDMO CN(CC[N@@H+](C)CCO)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001642932823 1078778509 /nfs/dbraw/zinc/77/85/09/1078778509.db2.gz WELYUDVLFFWNFK-UHFFFAOYSA-N 1 1 322.192 2.262 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc([N+](=O)[O-])c1 ZINC001520384493 1069130128 /nfs/dbraw/zinc/13/01/28/1069130128.db2.gz LMADFWNNFXDUCZ-MRXNPFEDSA-N 1 1 318.377 2.463 20 5 DEBDMO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC001547459882 1072605162 /nfs/dbraw/zinc/60/51/62/1072605162.db2.gz WUDJSJRMYHWSMF-VIFPVBQESA-N 1 1 311.769 2.461 20 5 DEBDMO Nc1nnc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)o1 ZINC001647896975 1074983883 /nfs/dbraw/zinc/98/38/83/1074983883.db2.gz FNASXWXOPRCXFB-JTQLQIEISA-N 1 1 321.312 2.079 20 5 DEBDMO Nc1nnc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)o1 ZINC001647896975 1074983886 /nfs/dbraw/zinc/98/38/86/1074983886.db2.gz FNASXWXOPRCXFB-JTQLQIEISA-N 1 1 321.312 2.079 20 5 DEBDMO C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001558603165 1075101210 /nfs/dbraw/zinc/10/12/10/1075101210.db2.gz KQDHMQLVPCJUFT-CHWSQXEVSA-N 1 1 305.378 2.156 20 5 DEBDMO CCc1[nH+]ccn1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC001559279872 1075117702 /nfs/dbraw/zinc/11/77/02/1075117702.db2.gz HKXGHXBHTYAKAD-UHFFFAOYSA-N 1 1 300.322 2.114 20 5 DEBDMO CC(C)[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001589695418 1076506396 /nfs/dbraw/zinc/50/63/96/1076506396.db2.gz PFYDGXRTVWKRMS-UHFFFAOYSA-N 1 1 302.338 2.148 20 5 DEBDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590157540 1076576173 /nfs/dbraw/zinc/57/61/73/1076576173.db2.gz OUBBSTBEBOPAAL-SNVBAGLBSA-N 1 1 314.349 2.173 20 5 DEBDMO CC(C)CC(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001481609846 1080134471 /nfs/dbraw/zinc/13/44/71/1080134471.db2.gz RMTFWIXUNNXXDS-UHFFFAOYSA-N 1 1 305.378 2.189 20 5 DEBDMO CCOC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[nH]n1 ZINC001659957025 1080257082 /nfs/dbraw/zinc/25/70/82/1080257082.db2.gz MOSCAKZMLMTJOO-SNVBAGLBSA-N 1 1 318.333 2.345 20 5 DEBDMO COC(=O)COc1ccc(C[NH+]2CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC001659981708 1080258931 /nfs/dbraw/zinc/25/89/31/1080258931.db2.gz SDIRZLUQKBDWDW-UHFFFAOYSA-N 1 1 320.345 2.133 20 5 DEBDMO Cc1cc([C@@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)[nH]n1 ZINC001660333253 1080312914 /nfs/dbraw/zinc/31/29/14/1080312914.db2.gz QWFWVNVXTXPICF-ZDUSSCGKSA-N 1 1 304.354 2.050 20 5 DEBDMO Cc1cc([C@@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)[nH]n1 ZINC001660333253 1080312917 /nfs/dbraw/zinc/31/29/17/1080312917.db2.gz QWFWVNVXTXPICF-ZDUSSCGKSA-N 1 1 304.354 2.050 20 5 DEBDMO CC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC001669774796 1081466417 /nfs/dbraw/zinc/46/64/17/1081466417.db2.gz JWDDZWMPQHOXFU-GFCCVEGCSA-N 1 1 306.366 2.461 20 5 DEBDMO O=C(NC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccco1 ZINC001482973172 1082590228 /nfs/dbraw/zinc/59/02/28/1082590228.db2.gz ANRWFPRENJTSOY-UPHRSURJSA-N 1 1 321.358 2.325 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001649175442 1091799265 /nfs/dbraw/zinc/79/92/65/1091799265.db2.gz GUVQJMKRCGIILM-CYBMUJFWSA-N 1 1 305.378 2.320 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](C2CC2)C1 ZINC001649175442 1091799275 /nfs/dbraw/zinc/79/92/75/1091799275.db2.gz GUVQJMKRCGIILM-CYBMUJFWSA-N 1 1 305.378 2.320 20 5 DEBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001296877622 1139828185 /nfs/dbraw/zinc/82/81/85/1139828185.db2.gz SZYPGKRRXREBLK-CQSZACIVSA-N 1 1 323.368 2.030 20 5 DEBDMO CC[NH+](CC)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC001319941833 1140805346 /nfs/dbraw/zinc/80/53/46/1140805346.db2.gz SMNTUXRNQUUDMV-UHFFFAOYSA-N 1 1 321.377 2.247 20 5 DEBDMO COc1ccc(C[C@H](C)[NH2+][C@@H]2CNCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001246109251 1140862089 /nfs/dbraw/zinc/86/20/89/1140862089.db2.gz AMQWGUHWWHJUKB-TYNCELHUSA-N 1 1 307.394 2.122 20 5 DEBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC001320887519 1140970836 /nfs/dbraw/zinc/97/08/36/1140970836.db2.gz DZGAWFJKCMXQJV-GFCCVEGCSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN[C@@H](C(F)(F)F)C1 ZINC001246983244 1141215730 /nfs/dbraw/zinc/21/57/30/1141215730.db2.gz GLZMFGPRTYWOKF-GXFFZTMASA-N 1 1 317.311 2.362 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN[C@@H](C(F)(F)F)C1 ZINC001246983244 1141215748 /nfs/dbraw/zinc/21/57/48/1141215748.db2.gz GLZMFGPRTYWOKF-GXFFZTMASA-N 1 1 317.311 2.362 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001337533045 1142765615 /nfs/dbraw/zinc/76/56/15/1142765615.db2.gz AKSRFMPCDZOFDS-LLVKDONJSA-N 1 1 316.361 2.290 20 5 DEBDMO CCc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001337534797 1142766151 /nfs/dbraw/zinc/76/61/51/1142766151.db2.gz JLXCARCFFBPYLD-CQSZACIVSA-N 1 1 305.378 2.371 20 5 DEBDMO CC(C)[N@@H+](CCN)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465651 1143128590 /nfs/dbraw/zinc/12/85/90/1143128590.db2.gz IOLMMSMTJIVPLV-UHFFFAOYSA-N 1 1 306.410 2.233 20 5 DEBDMO CC(C)N(CC[NH3+])C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465651 1143128614 /nfs/dbraw/zinc/12/86/14/1143128614.db2.gz IOLMMSMTJIVPLV-UHFFFAOYSA-N 1 1 306.410 2.233 20 5 DEBDMO O=C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254474381 1143133348 /nfs/dbraw/zinc/13/33/48/1143133348.db2.gz OPZRHWLYYRZOGB-UHFFFAOYSA-N 1 1 303.362 2.229 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001254553037 1143246261 /nfs/dbraw/zinc/24/62/61/1143246261.db2.gz QWMWJPFCSHUCRX-DGCLKSJQSA-N 1 1 314.332 2.475 20 5 DEBDMO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254557235 1143246525 /nfs/dbraw/zinc/24/65/25/1143246525.db2.gz OSZGVZMBEACNFQ-SLHHOWHOSA-N 1 1 320.389 2.404 20 5 DEBDMO COC1C[C@@H]2COC[C@H](C1)[N@H+]2[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254557235 1143246540 /nfs/dbraw/zinc/24/65/40/1143246540.db2.gz OSZGVZMBEACNFQ-SLHHOWHOSA-N 1 1 320.389 2.404 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001254560238 1143247679 /nfs/dbraw/zinc/24/76/79/1143247679.db2.gz QJWHNICCZVMTEJ-MLGOLLRUSA-N 1 1 319.361 2.100 20 5 DEBDMO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595476 1143273032 /nfs/dbraw/zinc/27/30/32/1143273032.db2.gz XPUZKBCLCPLVBN-GOEBONIOSA-N 1 1 304.346 2.090 20 5 DEBDMO COC(=O)[C@@]1(C)CCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595476 1143273045 /nfs/dbraw/zinc/27/30/45/1143273045.db2.gz XPUZKBCLCPLVBN-GOEBONIOSA-N 1 1 304.346 2.090 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[N@H+]3CCCC[C@H]3C1)C2 ZINC001254600777 1143274213 /nfs/dbraw/zinc/27/42/13/1143274213.db2.gz RLZCUCVMHZYYNN-DLBZAZTESA-N 1 1 301.390 2.232 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCN3CCCC[C@H]3C1)C2 ZINC001254600777 1143274231 /nfs/dbraw/zinc/27/42/31/1143274231.db2.gz RLZCUCVMHZYYNN-DLBZAZTESA-N 1 1 301.390 2.232 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCN3CCCC[C@H]3C1)C2 ZINC001254600777 1143274253 /nfs/dbraw/zinc/27/42/53/1143274253.db2.gz RLZCUCVMHZYYNN-DLBZAZTESA-N 1 1 301.390 2.232 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[N@H+]3CCCC[C@@H]3C1)C2 ZINC001254600778 1143274788 /nfs/dbraw/zinc/27/47/88/1143274788.db2.gz RLZCUCVMHZYYNN-IAGOWNOFSA-N 1 1 301.390 2.232 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCN3CCCC[C@@H]3C1)C2 ZINC001254600778 1143274798 /nfs/dbraw/zinc/27/47/98/1143274798.db2.gz RLZCUCVMHZYYNN-IAGOWNOFSA-N 1 1 301.390 2.232 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCN3CCCC[C@@H]3C1)C2 ZINC001254600778 1143274810 /nfs/dbraw/zinc/27/48/10/1143274810.db2.gz RLZCUCVMHZYYNN-IAGOWNOFSA-N 1 1 301.390 2.232 20 5 DEBDMO COC(=O)[C@@]1(C)CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602067 1143277188 /nfs/dbraw/zinc/27/71/88/1143277188.db2.gz AFNMKPDLMXTCMN-WBVHZDCISA-N 1 1 318.373 2.337 20 5 DEBDMO Cc1noc([C@@H]2CC[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254608017 1143278397 /nfs/dbraw/zinc/27/83/97/1143278397.db2.gz OLCXAGJDXZVFDM-IUODEOHRSA-N 1 1 314.345 2.243 20 5 DEBDMO O=c1[nH]ccc2c1CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254606855 1143281096 /nfs/dbraw/zinc/28/10/96/1143281096.db2.gz IRFFOCFHSAHXTD-HNNXBMFYSA-N 1 1 311.341 2.221 20 5 DEBDMO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611432 1143282077 /nfs/dbraw/zinc/28/20/77/1143282077.db2.gz XOOZSOZDPLUVIV-SHPPOPEUSA-N 1 1 316.357 2.088 20 5 DEBDMO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611432 1143282084 /nfs/dbraw/zinc/28/20/84/1143282084.db2.gz XOOZSOZDPLUVIV-SHPPOPEUSA-N 1 1 316.357 2.088 20 5 DEBDMO CC[N@@H+](CCn1ccnc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611689 1143282383 /nfs/dbraw/zinc/28/23/83/1143282383.db2.gz RMSKDHPHBYKFRV-INIZCTEOSA-N 1 1 300.362 2.281 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001254943571 1143365892 /nfs/dbraw/zinc/36/58/92/1143365892.db2.gz JXACCFOJBIHQDV-QWHCGFSZSA-N 1 1 320.393 2.391 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001302569391 1147313168 /nfs/dbraw/zinc/31/31/68/1147313168.db2.gz IJIHZVYVMNEEPG-FZMZJTMJSA-N 1 1 321.352 2.209 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001304040943 1147343620 /nfs/dbraw/zinc/34/36/20/1147343620.db2.gz CYFANBUWMGPXNF-CQSZACIVSA-N 1 1 305.378 2.363 20 5 DEBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001318268299 1147805162 /nfs/dbraw/zinc/80/51/62/1147805162.db2.gz YXVBJYRGHDJOTI-LLVKDONJSA-N 1 1 321.352 2.225 20 5 DEBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001318268299 1147805165 /nfs/dbraw/zinc/80/51/65/1147805165.db2.gz YXVBJYRGHDJOTI-LLVKDONJSA-N 1 1 321.352 2.225 20 5 DEBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318340421 1147813392 /nfs/dbraw/zinc/81/33/92/1147813392.db2.gz NYZIFDKINQNKCD-CYBMUJFWSA-N 1 1 307.325 2.044 20 5 DEBDMO COC(=O)N1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001324743771 1147838887 /nfs/dbraw/zinc/83/88/87/1147838887.db2.gz IFDAOQXATMONKA-UHFFFAOYSA-N 1 1 307.350 2.177 20 5 DEBDMO COC(=O)N1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001324743771 1147838891 /nfs/dbraw/zinc/83/88/91/1147838891.db2.gz IFDAOQXATMONKA-UHFFFAOYSA-N 1 1 307.350 2.177 20 5 DEBDMO C[C@H](NCc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000612489227 361841495 /nfs/dbraw/zinc/84/14/95/361841495.db2.gz ZCRUBRLSMDHOCN-QWHCGFSZSA-N 1 1 321.425 2.071 20 5 DEBDMO Cn1nncc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278622456 214282638 /nfs/dbraw/zinc/28/26/38/214282638.db2.gz DTMLRQTVRNRBIN-UHFFFAOYSA-N 1 1 315.255 2.032 20 5 DEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000278754047 214376651 /nfs/dbraw/zinc/37/66/51/214376651.db2.gz MXLMUCAENPXNEK-LBPRGKRZSA-N 1 1 323.368 2.423 20 5 DEBDMO CC[C@H](C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330731560 529658884 /nfs/dbraw/zinc/65/88/84/529658884.db2.gz ITGQKJIUPHDENU-NSHDSACASA-N 1 1 311.407 2.460 20 5 DEBDMO CCOCC[N@H+](CC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092537762 185324775 /nfs/dbraw/zinc/32/47/75/185324775.db2.gz KRFGWCOADKDEOT-UHFFFAOYSA-N 1 1 312.366 2.470 20 5 DEBDMO CCOCC[N@@H+](CC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092537762 185324776 /nfs/dbraw/zinc/32/47/76/185324776.db2.gz KRFGWCOADKDEOT-UHFFFAOYSA-N 1 1 312.366 2.470 20 5 DEBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272781714 210185335 /nfs/dbraw/zinc/18/53/35/210185335.db2.gz RYOOKBADUSUMDF-NWDGAFQWSA-N 1 1 320.393 2.306 20 5 DEBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272781712 210184243 /nfs/dbraw/zinc/18/42/43/210184243.db2.gz RYOOKBADUSUMDF-NEPJUHHUSA-N 1 1 320.393 2.306 20 5 DEBDMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2nncs2)cc1[N+](=O)[O-] ZINC000181829310 199358301 /nfs/dbraw/zinc/35/83/01/199358301.db2.gz YZFNRARJNOMZDO-VIFPVBQESA-N 1 1 321.362 2.044 20 5 DEBDMO C[C@@H]1OCC[C@]12C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000279676005 215054100 /nfs/dbraw/zinc/05/41/00/215054100.db2.gz DWDAGYPIVJRYKT-KEYYUXOJSA-N 1 1 320.389 2.406 20 5 DEBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279715515 215085221 /nfs/dbraw/zinc/08/52/21/215085221.db2.gz IKABFJWPMUDEKZ-DUVNUKRYSA-N 1 1 308.378 2.254 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000139198894 186021218 /nfs/dbraw/zinc/02/12/18/186021218.db2.gz OJTDEIVCASYYCW-QWHCGFSZSA-N 1 1 321.377 2.341 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(O)CC1 ZINC000280105020 215379161 /nfs/dbraw/zinc/37/91/61/215379161.db2.gz PFHVMZIRLOSSBX-LRDDRELGSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(O)CC1 ZINC000280105020 215379164 /nfs/dbraw/zinc/37/91/64/215379164.db2.gz PFHVMZIRLOSSBX-LRDDRELGSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(O)CC1 ZINC000280105025 215379344 /nfs/dbraw/zinc/37/93/44/215379344.db2.gz PFHVMZIRLOSSBX-WBMJQRKESA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(O)CC1 ZINC000280105025 215379347 /nfs/dbraw/zinc/37/93/47/215379347.db2.gz PFHVMZIRLOSSBX-WBMJQRKESA-N 1 1 321.377 2.159 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCCC[C@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000173710716 198243117 /nfs/dbraw/zinc/24/31/17/198243117.db2.gz BWTKQCSLZMRQPH-JSGCOSHPSA-N 1 1 324.377 2.218 20 5 DEBDMO COc1ccc(OCC[N@H+]2CCCC[C@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000173710733 198243573 /nfs/dbraw/zinc/24/35/73/198243573.db2.gz BWTKQCSLZMRQPH-OCCSQVGLSA-N 1 1 324.377 2.218 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000174156346 198299463 /nfs/dbraw/zinc/29/94/63/198299463.db2.gz XGVSKMKHDYROQU-OLZOCXBDSA-N 1 1 321.377 2.280 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000174645325 198364907 /nfs/dbraw/zinc/36/49/07/198364907.db2.gz JGCLKAMHTRSBPW-UHFFFAOYSA-N 1 1 322.409 2.123 20 5 DEBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182163206 199396465 /nfs/dbraw/zinc/39/64/65/199396465.db2.gz DONZBUQUZGLCRS-LLVKDONJSA-N 1 1 311.769 2.206 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000052229878 354398128 /nfs/dbraw/zinc/39/81/28/354398128.db2.gz DJGPPZPENSWOCP-UHFFFAOYSA-N 1 1 303.322 2.230 20 5 DEBDMO CNC(=O)c1ccc(NCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000053562630 354439222 /nfs/dbraw/zinc/43/92/22/354439222.db2.gz RLXXNJJQVHQFPG-LBPRGKRZSA-N 1 1 320.393 2.098 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)CC1 ZINC000060499909 354616845 /nfs/dbraw/zinc/61/68/45/354616845.db2.gz UQBAHFJAUIEQSO-UHFFFAOYSA-N 1 1 321.377 2.161 20 5 DEBDMO Cc1c(C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-] ZINC000072832582 354923551 /nfs/dbraw/zinc/92/35/51/354923551.db2.gz CAIJEMNINXGTMS-MRXNPFEDSA-N 1 1 303.362 2.005 20 5 DEBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1F ZINC000090517000 355563445 /nfs/dbraw/zinc/56/34/45/355563445.db2.gz JIRAPABPSNWZGN-UHFFFAOYSA-N 1 1 323.299 2.167 20 5 DEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1F ZINC000090517000 355563447 /nfs/dbraw/zinc/56/34/47/355563447.db2.gz JIRAPABPSNWZGN-UHFFFAOYSA-N 1 1 323.299 2.167 20 5 DEBDMO CCC[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000090884136 355569059 /nfs/dbraw/zinc/56/90/59/355569059.db2.gz VOTPWVZGPVCOHE-JKSUJKDBSA-N 1 1 318.377 2.493 20 5 DEBDMO C[C@H](O)CC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093481102 355683717 /nfs/dbraw/zinc/68/37/17/355683717.db2.gz BBZYGUAAWPGWTE-LBPRGKRZSA-N 1 1 318.377 2.198 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000280312801 356364079 /nfs/dbraw/zinc/36/40/79/356364079.db2.gz PTHUVCUYRVGNFC-BXUZGUMPSA-N 1 1 322.361 2.234 20 5 DEBDMO COCC[C@@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000291255033 356380793 /nfs/dbraw/zinc/38/07/93/356380793.db2.gz OGUQFKKRXOWHGP-OAHLLOKOSA-N 1 1 324.377 2.101 20 5 DEBDMO COCC[C@@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000291255033 356380795 /nfs/dbraw/zinc/38/07/95/356380795.db2.gz OGUQFKKRXOWHGP-OAHLLOKOSA-N 1 1 324.377 2.101 20 5 DEBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000081527665 192283204 /nfs/dbraw/zinc/28/32/04/192283204.db2.gz QCCUBIUXVBBHMP-LBPRGKRZSA-N 1 1 323.393 2.196 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000588011379 357388063 /nfs/dbraw/zinc/38/80/63/357388063.db2.gz CTSSVNXNAMKWIU-RKDXNWHRSA-N 1 1 307.379 2.128 20 5 DEBDMO [NH3+]CCN(Cc1[nH]nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000589190917 357452945 /nfs/dbraw/zinc/45/29/45/357452945.db2.gz YZAMAJFJJBZQIG-UHFFFAOYSA-N 1 1 311.345 2.436 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000589209774 357455052 /nfs/dbraw/zinc/45/50/52/357455052.db2.gz SWASMQBQRNQDIM-GMMCIKNFSA-N 1 1 303.362 2.195 20 5 DEBDMO C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@@H+]1C ZINC000590146284 357522401 /nfs/dbraw/zinc/52/24/01/357522401.db2.gz LMVOLJUIXWNHEM-PHIMTYICSA-N 1 1 301.350 2.067 20 5 DEBDMO CCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592831225 357953097 /nfs/dbraw/zinc/95/30/97/357953097.db2.gz KFBOMVHTFRUSIM-CYBMUJFWSA-N 1 1 321.377 2.160 20 5 DEBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000593030141 357991821 /nfs/dbraw/zinc/99/18/21/357991821.db2.gz JGOIOQOEFYTBPQ-KBPBESRZSA-N 1 1 321.352 2.019 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000593110307 358013421 /nfs/dbraw/zinc/01/34/21/358013421.db2.gz OXMITHZKBOKLMF-VXGBXAGGSA-N 1 1 323.368 2.218 20 5 DEBDMO CC(C)(O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000180245691 199136075 /nfs/dbraw/zinc/13/60/75/199136075.db2.gz ZTAVNUVSYDPHRU-UHFFFAOYSA-N 1 1 318.377 2.064 20 5 DEBDMO CCc1nn(C)c(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594598675 358301828 /nfs/dbraw/zinc/30/18/28/358301828.db2.gz HFPFRROYYXKMMF-STQMWFEESA-N 1 1 307.398 2.320 20 5 DEBDMO CC(C)(C)[C@@H](CO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000180632374 199187648 /nfs/dbraw/zinc/18/76/48/199187648.db2.gz DWFPCXWUGABVJS-GFCCVEGCSA-N 1 1 320.349 2.141 20 5 DEBDMO C[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595100747 358389510 /nfs/dbraw/zinc/38/95/10/358389510.db2.gz IRVDHHCJHMDHIQ-CXAGYDPISA-N 1 1 319.405 2.499 20 5 DEBDMO Cc1cc(C2CC[NH+](Cc3onc(C)c3[N+](=O)[O-])CC2)n[nH]1 ZINC000595409803 358441620 /nfs/dbraw/zinc/44/16/20/358441620.db2.gz IPEKPZKBAGYUHG-UHFFFAOYSA-N 1 1 305.338 2.302 20 5 DEBDMO Cc1cc(C2CC[NH+](Cc3onc(C)c3[N+](=O)[O-])CC2)[nH]n1 ZINC000595409803 358441622 /nfs/dbraw/zinc/44/16/22/358441622.db2.gz IPEKPZKBAGYUHG-UHFFFAOYSA-N 1 1 305.338 2.302 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H](C)O)cccc1[N+](=O)[O-] ZINC000595765455 358543759 /nfs/dbraw/zinc/54/37/59/358543759.db2.gz HIBRBWWZMNSPLV-SWLSCSKDSA-N 1 1 321.377 2.077 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)n1 ZINC000595786435 358549290 /nfs/dbraw/zinc/54/92/90/358549290.db2.gz AGMGIJKCUNDCKO-KBPBESRZSA-N 1 1 308.382 2.072 20 5 DEBDMO CCOc1cc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000595876241 358569161 /nfs/dbraw/zinc/56/91/61/358569161.db2.gz RFGGGWUQUKTJFW-LRDDRELGSA-N 1 1 308.378 2.444 20 5 DEBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CC1(C)C ZINC000595908369 358577374 /nfs/dbraw/zinc/57/73/74/358577374.db2.gz IKAYJDNXOPIPBO-CYBMUJFWSA-N 1 1 317.389 2.462 20 5 DEBDMO C[N@@H+](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596086909 358607766 /nfs/dbraw/zinc/60/77/66/358607766.db2.gz DGDSUQCCARAQDW-UHFFFAOYSA-N 1 1 302.334 2.239 20 5 DEBDMO Cc1cc(NCCCN2CCC[N@H+](C)CC2)c([N+](=O)[O-])s1 ZINC000596100985 358611132 /nfs/dbraw/zinc/61/11/32/358611132.db2.gz GLDILBRIPGNOOE-UHFFFAOYSA-N 1 1 312.439 2.404 20 5 DEBDMO Cc1cc(NCCC[N@H+]2CCCN(C)CC2)c([N+](=O)[O-])s1 ZINC000596100985 358611134 /nfs/dbraw/zinc/61/11/34/358611134.db2.gz GLDILBRIPGNOOE-UHFFFAOYSA-N 1 1 312.439 2.404 20 5 DEBDMO Cc1cc(NCCC[N@@H+]2CCCN(C)CC2)c([N+](=O)[O-])s1 ZINC000596100985 358611136 /nfs/dbraw/zinc/61/11/36/358611136.db2.gz GLDILBRIPGNOOE-UHFFFAOYSA-N 1 1 312.439 2.404 20 5 DEBDMO NC(=O)c1cc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000596298138 358663196 /nfs/dbraw/zinc/66/31/96/358663196.db2.gz URKRFZJUIGWXCX-HIFRSBDPSA-N 1 1 318.377 2.123 20 5 DEBDMO COC(=O)c1cnc(N[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596337151 358669700 /nfs/dbraw/zinc/66/97/00/358669700.db2.gz VAPFUEFWYYBCCQ-NSHDSACASA-N 1 1 322.365 2.061 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000596830867 358770765 /nfs/dbraw/zinc/77/07/65/358770765.db2.gz DVBIJQIQMFVTKG-LBPRGKRZSA-N 1 1 322.365 2.209 20 5 DEBDMO CNc1c(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597923241 359042436 /nfs/dbraw/zinc/04/24/36/359042436.db2.gz NPMYPNVCDNCYSC-LLVKDONJSA-N 1 1 320.393 2.239 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597925934 359044367 /nfs/dbraw/zinc/04/43/67/359044367.db2.gz YQHRDODYFQPXGS-CYBMUJFWSA-N 1 1 323.368 2.265 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000598341783 359168909 /nfs/dbraw/zinc/16/89/09/359168909.db2.gz GCQRQCCBVQPQKW-LBPRGKRZSA-N 1 1 311.769 2.462 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598342025 359169445 /nfs/dbraw/zinc/16/94/45/359169445.db2.gz JYKUGFXAXUEJAX-VXGBXAGGSA-N 1 1 323.368 2.438 20 5 DEBDMO O=C(C[NH+](C1CC1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599599045 359538301 /nfs/dbraw/zinc/53/83/01/359538301.db2.gz HKYXGRGKPMYHGT-UHFFFAOYSA-N 1 1 301.346 2.111 20 5 DEBDMO O=C(C[NH+](C1CC1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599599094 359538333 /nfs/dbraw/zinc/53/83/33/359538333.db2.gz ILMIXSOXOCYRAB-UHFFFAOYSA-N 1 1 301.346 2.111 20 5 DEBDMO CC(C)c1ccc(C[N@@H+](C)[C@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000600178235 359678128 /nfs/dbraw/zinc/67/81/28/359678128.db2.gz IMMQVQZDFFCBAB-INIZCTEOSA-N 1 1 308.378 2.301 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000600680134 359799183 /nfs/dbraw/zinc/79/91/83/359799183.db2.gz DJTWVFZRZBCYKV-LBPRGKRZSA-N 1 1 306.366 2.448 20 5 DEBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCCOCC2)c2ccncc21 ZINC000188495384 200255885 /nfs/dbraw/zinc/25/58/85/200255885.db2.gz HORNCUUPIXVUKU-UHFFFAOYSA-N 1 1 316.361 2.277 20 5 DEBDMO O=[N+]([O-])c1ccc2nccc(NC[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000601103894 359921199 /nfs/dbraw/zinc/92/11/99/359921199.db2.gz LNDWUUVKSSYFIN-LBPRGKRZSA-N 1 1 312.373 2.461 20 5 DEBDMO CC(C)(C)NC(=O)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601111284 359924780 /nfs/dbraw/zinc/92/47/80/359924780.db2.gz QMCQWWKZRKGSDU-UHFFFAOYSA-N 1 1 316.361 2.282 20 5 DEBDMO COC[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000601153123 359944531 /nfs/dbraw/zinc/94/45/31/359944531.db2.gz JUZPGAUXVPIZEZ-DGCLKSJQSA-N 1 1 317.345 2.383 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601454325 360045356 /nfs/dbraw/zinc/04/53/56/360045356.db2.gz YZSMOYRTEXLENU-NSHDSACASA-N 1 1 309.341 2.337 20 5 DEBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+]1C1CCCC1 ZINC000602068839 360254733 /nfs/dbraw/zinc/25/47/33/360254733.db2.gz BEWNPGQSWDTUJZ-OAHLLOKOSA-N 1 1 303.362 2.228 20 5 DEBDMO CO[C@@]1(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOC1 ZINC000602440073 360374287 /nfs/dbraw/zinc/37/42/87/360374287.db2.gz NQXSFQDTWRWXRJ-MRXNPFEDSA-N 1 1 306.362 2.365 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC=C(c2ccco2)C1 ZINC000602831758 360578504 /nfs/dbraw/zinc/57/85/04/360578504.db2.gz RJXWDADCULNLHK-UHFFFAOYSA-N 1 1 302.334 2.482 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC1(O)CCCCCC1 ZINC000602810613 360566927 /nfs/dbraw/zinc/56/69/27/360566927.db2.gz HFOINFVGZKOKDW-UHFFFAOYSA-N 1 1 310.398 2.117 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2cccc(C)c2C1 ZINC000602818495 360571012 /nfs/dbraw/zinc/57/10/12/360571012.db2.gz DYLVWWGSNCDJEQ-UHFFFAOYSA-N 1 1 300.362 2.466 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000602832184 360578827 /nfs/dbraw/zinc/57/88/27/360578827.db2.gz RIFUJMXGWDWAHB-UHFFFAOYSA-N 1 1 316.361 2.303 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOc2ccc(C)cc2C1 ZINC000602832184 360578832 /nfs/dbraw/zinc/57/88/32/360578832.db2.gz RIFUJMXGWDWAHB-UHFFFAOYSA-N 1 1 316.361 2.303 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000602837519 360581528 /nfs/dbraw/zinc/58/15/28/360581528.db2.gz OLBGJVOXPNVKBI-ORIJERBGSA-N 1 1 304.394 2.468 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000602905909 360619143 /nfs/dbraw/zinc/61/91/43/360619143.db2.gz HHENYUFVVSJCJF-CQSZACIVSA-N 1 1 310.398 2.237 20 5 DEBDMO C[C@H]1C[NH+](C(C)(C)CNc2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000603847167 360863888 /nfs/dbraw/zinc/86/38/88/360863888.db2.gz SKQDVIJACSYIAZ-RYUDHWBXSA-N 1 1 308.382 2.290 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000292617688 223172792 /nfs/dbraw/zinc/17/27/92/223172792.db2.gz FUSPFSRKFJYDPK-OAHLLOKOSA-N 1 1 306.362 2.353 20 5 DEBDMO CCO[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610930488 361494036 /nfs/dbraw/zinc/49/40/36/361494036.db2.gz VNNMQPKKXVEKMQ-CYBMUJFWSA-N 1 1 322.361 2.367 20 5 DEBDMO CCO[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610930488 361494038 /nfs/dbraw/zinc/49/40/38/361494038.db2.gz VNNMQPKKXVEKMQ-CYBMUJFWSA-N 1 1 322.361 2.367 20 5 DEBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCCOC1 ZINC000611269115 361566501 /nfs/dbraw/zinc/56/65/01/361566501.db2.gz UIUYOOBXPRLDRM-GFCCVEGCSA-N 1 1 322.361 2.224 20 5 DEBDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000611555176 361630241 /nfs/dbraw/zinc/63/02/41/361630241.db2.gz PSLBPPQVOLXPET-NXEZZACHSA-N 1 1 306.288 2.454 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000611712431 361664470 /nfs/dbraw/zinc/66/44/70/361664470.db2.gz LCPYMVCEGIMZOI-RYUDHWBXSA-N 1 1 315.377 2.457 20 5 DEBDMO CCn1nnc(C)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000449308901 240343332 /nfs/dbraw/zinc/34/33/32/240343332.db2.gz AKIFBJQGRZATFA-UHFFFAOYSA-N 1 1 303.366 2.189 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c1 ZINC000451716992 243347337 /nfs/dbraw/zinc/34/73/37/243347337.db2.gz VGMVNMKOOSZLAN-IJEWVQPXSA-N 1 1 320.389 2.457 20 5 DEBDMO CC[NH+]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000093900094 193326066 /nfs/dbraw/zinc/32/60/66/193326066.db2.gz GGWLUKFOWZCMGK-UHFFFAOYSA-N 1 1 305.378 2.298 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000264666350 204065901 /nfs/dbraw/zinc/06/59/01/204065901.db2.gz ILKJNNJZIRBBLY-CYBMUJFWSA-N 1 1 321.377 2.208 20 5 DEBDMO Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000266262805 205223846 /nfs/dbraw/zinc/22/38/46/205223846.db2.gz PIELGUGCNWJQAV-UHFFFAOYSA-N 1 1 302.294 2.138 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000492323250 249039229 /nfs/dbraw/zinc/03/92/29/249039229.db2.gz NEALEOSSFLUCCI-VSONXHSHSA-N 1 1 303.362 2.159 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492651858 249108831 /nfs/dbraw/zinc/10/88/31/249108831.db2.gz SHQVTKPRTVRMEM-YFHOEESVSA-N 1 1 303.362 2.161 20 5 DEBDMO O=C1CC2(CN1)CC[NH+](Cc1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC000493181380 249241575 /nfs/dbraw/zinc/24/15/75/249241575.db2.gz NYYSDNWBUIVSPX-UHFFFAOYSA-N 1 1 323.780 2.350 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159785019 197364102 /nfs/dbraw/zinc/36/41/02/197364102.db2.gz QIJZAOKWQIONTA-HUBLWGQQSA-N 1 1 321.377 2.015 20 5 DEBDMO COc1cc(CNCC[N@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000538604023 285041597 /nfs/dbraw/zinc/04/15/97/285041597.db2.gz HKOGBFFKFWZKRV-LBPRGKRZSA-N 1 1 323.393 2.043 20 5 DEBDMO COc1cc(C[NH2+]CCN2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000538604023 285041599 /nfs/dbraw/zinc/04/15/99/285041599.db2.gz HKOGBFFKFWZKRV-LBPRGKRZSA-N 1 1 323.393 2.043 20 5 DEBDMO COc1cc(CNCC[N@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000538604021 285041630 /nfs/dbraw/zinc/04/16/30/285041630.db2.gz HKOGBFFKFWZKRV-GFCCVEGCSA-N 1 1 323.393 2.043 20 5 DEBDMO COc1cc(C[NH2+]CCN2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000538604021 285041632 /nfs/dbraw/zinc/04/16/32/285041632.db2.gz HKOGBFFKFWZKRV-GFCCVEGCSA-N 1 1 323.393 2.043 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000542654294 285240974 /nfs/dbraw/zinc/24/09/74/285240974.db2.gz FRWCBPJKMJTHGL-ZDUSSCGKSA-N 1 1 305.378 2.365 20 5 DEBDMO CO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411699586 533414131 /nfs/dbraw/zinc/41/41/31/533414131.db2.gz WUUDOCZMFPXMQY-SWLSCSKDSA-N 1 1 321.377 2.423 20 5 DEBDMO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000353890729 133009601 /nfs/dbraw/zinc/00/96/01/133009601.db2.gz CTOQKDUCCKRZPA-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO COC(=O)C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000353890729 133009602 /nfs/dbraw/zinc/00/96/02/133009602.db2.gz CTOQKDUCCKRZPA-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO COC(=O)COc1ccc(C[N@@H+](C)C2CCC2)cc1[N+](=O)[O-] ZINC000355744235 133045385 /nfs/dbraw/zinc/04/53/85/133045385.db2.gz KPHRNTMOHKKGPU-UHFFFAOYSA-N 1 1 308.334 2.131 20 5 DEBDMO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)N(C)C ZINC000359800960 133145555 /nfs/dbraw/zinc/14/55/55/133145555.db2.gz MSHCHKNRPDEMTN-LLVKDONJSA-N 1 1 317.345 2.421 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000362843551 133254502 /nfs/dbraw/zinc/25/45/02/133254502.db2.gz PULGKAPJACXRFY-UHFFFAOYSA-N 1 1 323.418 2.485 20 5 DEBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000362872733 133256594 /nfs/dbraw/zinc/25/65/94/133256594.db2.gz HRBOSBHRWURWJE-DYEKYZERSA-N 1 1 305.378 2.278 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000376338757 133291094 /nfs/dbraw/zinc/29/10/94/133291094.db2.gz QTZGWFXBGWZILF-UHFFFAOYSA-N 1 1 323.418 2.485 20 5 DEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@@H]1O ZINC000181423966 144905431 /nfs/dbraw/zinc/90/54/31/144905431.db2.gz YXKCIEYGKXSXAC-CJNGLKHVSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+]1CCC[C@H](C)C1 ZINC000246465241 145103271 /nfs/dbraw/zinc/10/32/71/145103271.db2.gz NOHGMSHGURSQBO-NWDGAFQWSA-N 1 1 320.393 2.027 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000247288977 145131899 /nfs/dbraw/zinc/13/18/99/145131899.db2.gz KSMBXPKGZYBAPS-BLLLJJGKSA-N 1 1 319.361 2.034 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000247497639 145139243 /nfs/dbraw/zinc/13/92/43/145139243.db2.gz XIEFNIIKXJRURZ-CVEARBPZSA-N 1 1 306.362 2.017 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000247497639 145139244 /nfs/dbraw/zinc/13/92/44/145139244.db2.gz XIEFNIIKXJRURZ-CVEARBPZSA-N 1 1 306.362 2.017 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCNc2cccc(C)[nH+]2)c1 ZINC000346237582 146044934 /nfs/dbraw/zinc/04/49/34/146044934.db2.gz ZGXQYICANYEKCN-UHFFFAOYSA-N 1 1 314.345 2.449 20 5 DEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000346663816 146119835 /nfs/dbraw/zinc/11/98/35/146119835.db2.gz XCSYHCCFZJETQP-MWLCHTKSSA-N 1 1 319.317 2.119 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000346663816 146119837 /nfs/dbraw/zinc/11/98/37/146119837.db2.gz XCSYHCCFZJETQP-MWLCHTKSSA-N 1 1 319.317 2.119 20 5 DEBDMO C[C@@H](C(=O)NCC1=CC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000348016973 146212866 /nfs/dbraw/zinc/21/28/66/146212866.db2.gz MWTXMEXQJGFQCO-LLVKDONJSA-N 1 1 321.352 2.216 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000356833228 146984947 /nfs/dbraw/zinc/98/49/47/146984947.db2.gz ANUJMJVEIARXFZ-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000356833228 146984948 /nfs/dbraw/zinc/98/49/48/146984948.db2.gz ANUJMJVEIARXFZ-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000358309253 147111020 /nfs/dbraw/zinc/11/10/20/147111020.db2.gz PNHVVSYPXVZENO-LBPRGKRZSA-N 1 1 323.393 2.454 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000359098933 147262101 /nfs/dbraw/zinc/26/21/01/147262101.db2.gz ZXOMQNQMAQISLE-STQMWFEESA-N 1 1 303.362 2.260 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000073986972 401726347 /nfs/dbraw/zinc/72/63/47/401726347.db2.gz ZCQAGMLXVIHJJQ-UONOGXRCSA-N 1 1 303.362 2.212 20 5 DEBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000007486620 401741141 /nfs/dbraw/zinc/74/11/41/401741141.db2.gz HBTVMCLZGULFAE-LLVKDONJSA-N 1 1 307.350 2.416 20 5 DEBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000007486620 401741143 /nfs/dbraw/zinc/74/11/43/401741143.db2.gz HBTVMCLZGULFAE-LLVKDONJSA-N 1 1 307.350 2.416 20 5 DEBDMO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000126681753 401704549 /nfs/dbraw/zinc/70/45/49/401704549.db2.gz YXCBMPUYGOUJLB-UGZDLDLSSA-N 1 1 304.799 2.447 20 5 DEBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000126681753 401704550 /nfs/dbraw/zinc/70/45/50/401704550.db2.gz YXCBMPUYGOUJLB-UGZDLDLSSA-N 1 1 304.799 2.447 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000112928828 401761984 /nfs/dbraw/zinc/76/19/84/401761984.db2.gz KJLHJNGFTKIFNZ-FNORWQNLSA-N 1 1 309.341 2.204 20 5 DEBDMO COC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000112989932 401764320 /nfs/dbraw/zinc/76/43/20/401764320.db2.gz DCRGNYCCXVBQHK-ZDUSSCGKSA-N 1 1 321.377 2.282 20 5 DEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC3(CCCCC3)C2)c1 ZINC000075739060 401767324 /nfs/dbraw/zinc/76/73/24/401767324.db2.gz YPEIHESSUATQTG-OAHLLOKOSA-N 1 1 322.409 2.199 20 5 DEBDMO COCCOC[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000075953227 401774671 /nfs/dbraw/zinc/77/46/71/401774671.db2.gz KTYJJELFIPBLHS-CQSZACIVSA-N 1 1 308.378 2.388 20 5 DEBDMO CO[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076344710 401791707 /nfs/dbraw/zinc/79/17/07/401791707.db2.gz TZSCYOGIEQKCNR-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO CO[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076344710 401791709 /nfs/dbraw/zinc/79/17/09/401791709.db2.gz TZSCYOGIEQKCNR-ZDUSSCGKSA-N 1 1 318.333 2.256 20 5 DEBDMO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000115433489 401827784 /nfs/dbraw/zinc/82/77/84/401827784.db2.gz PRXAOXPGFSFZEG-CYBMUJFWSA-N 1 1 305.378 2.317 20 5 DEBDMO CC[N@@H+](CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000078504355 401854034 /nfs/dbraw/zinc/85/40/34/401854034.db2.gz HPGAYXNHIMGWNR-BJMVGYQFSA-N 1 1 303.362 2.209 20 5 DEBDMO CNC(=O)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000037562535 401915155 /nfs/dbraw/zinc/91/51/55/401915155.db2.gz HBKFSMTZLPXFPX-UHFFFAOYSA-N 1 1 305.359 2.306 20 5 DEBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000118967509 401916019 /nfs/dbraw/zinc/91/60/19/401916019.db2.gz WSPPCBCKWTYNSL-UWVGGRQHSA-N 1 1 311.769 2.334 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](CO)C3)co2)cc1 ZINC000089903615 401972678 /nfs/dbraw/zinc/97/26/78/401972678.db2.gz CHBBZVWWDSUKGB-LLVKDONJSA-N 1 1 303.318 2.064 20 5 DEBDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000064806862 402121972 /nfs/dbraw/zinc/12/19/72/402121972.db2.gz CJKFHTGYSVIKQT-UHFFFAOYSA-N 1 1 323.393 2.331 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@](C)(O)C1 ZINC000124924348 402203890 /nfs/dbraw/zinc/20/38/90/402203890.db2.gz LIQLLEKASHJMBJ-MRXNPFEDSA-N 1 1 321.377 2.079 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000067703573 402168774 /nfs/dbraw/zinc/16/87/74/402168774.db2.gz JGEFIGSAQJJYJN-JTQLQIEISA-N 1 1 309.753 2.215 20 5 DEBDMO CC[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155063318 402243546 /nfs/dbraw/zinc/24/35/46/402243546.db2.gz HECCWZXBZDTXTK-WMLDXEAASA-N 1 1 320.437 2.271 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000108328238 402249389 /nfs/dbraw/zinc/24/93/89/402249389.db2.gz MOGHUMGQIBDEIV-HOSRBBHYSA-N 1 1 321.352 2.205 20 5 DEBDMO C[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000108328242 402249867 /nfs/dbraw/zinc/24/98/67/402249867.db2.gz MOGHUMGQIBDEIV-PZBABLGHSA-N 1 1 321.352 2.205 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108494635 402254822 /nfs/dbraw/zinc/25/48/22/402254822.db2.gz JJTPDQFNBXWBRC-LBPRGKRZSA-N 1 1 306.366 2.367 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000070950532 402267344 /nfs/dbraw/zinc/26/73/44/402267344.db2.gz OGHZQOVXIJIPTR-CYBMUJFWSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1CCO ZINC000070950532 402267346 /nfs/dbraw/zinc/26/73/46/402267346.db2.gz OGHZQOVXIJIPTR-CYBMUJFWSA-N 1 1 321.377 2.079 20 5 DEBDMO CCc1[nH+]ccn1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000158525730 402307635 /nfs/dbraw/zinc/30/76/35/402307635.db2.gz YGKAAPVVEMPOQZ-UHFFFAOYSA-N 1 1 316.317 2.352 20 5 DEBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000160467414 402346997 /nfs/dbraw/zinc/34/69/97/402346997.db2.gz VXKKOLFRNSWJRL-GUTXKFCHSA-N 1 1 320.393 2.068 20 5 DEBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC1 ZINC000228110603 402335998 /nfs/dbraw/zinc/33/59/98/402335998.db2.gz GUOQIGZEVUVCIG-SNVBAGLBSA-N 1 1 311.769 2.349 20 5 DEBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000228071475 402336226 /nfs/dbraw/zinc/33/62/26/402336226.db2.gz OBSKMHAUVFLHBG-CQSZACIVSA-N 1 1 311.769 2.206 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177639809 402422820 /nfs/dbraw/zinc/42/28/20/402422820.db2.gz HPUDGQKIFYRRNU-ZYHUDNBSSA-N 1 1 304.350 2.342 20 5 DEBDMO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1O ZINC000186804980 402465771 /nfs/dbraw/zinc/46/57/71/402465771.db2.gz WSTUYKOFLGOIME-ABAIWWIYSA-N 1 1 317.345 2.453 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1O ZINC000186804980 402465774 /nfs/dbraw/zinc/46/57/74/402465774.db2.gz WSTUYKOFLGOIME-ABAIWWIYSA-N 1 1 317.345 2.453 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](C3OCCO3)C2)cc1 ZINC000171141774 402561078 /nfs/dbraw/zinc/56/10/78/402561078.db2.gz WEOVOUZJMKQQPD-AWEZNQCLSA-N 1 1 306.362 2.222 20 5 DEBDMO CC[N@@H+](CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000171160999 402562404 /nfs/dbraw/zinc/56/24/04/402562404.db2.gz AIHBEEJVOAMZTF-LBPRGKRZSA-N 1 1 320.393 2.439 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C)C[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000178782203 402539520 /nfs/dbraw/zinc/53/95/20/402539520.db2.gz RMVWKDHKRXWDLW-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000171755313 402618407 /nfs/dbraw/zinc/61/84/07/402618407.db2.gz AWCSLIDQTAZBNS-STQMWFEESA-N 1 1 320.393 2.297 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCN1CCOCC1 ZINC000182743998 402713259 /nfs/dbraw/zinc/71/32/59/402713259.db2.gz BSADPWOOEHFNLQ-CQSZACIVSA-N 1 1 307.394 2.228 20 5 DEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255546611 402690114 /nfs/dbraw/zinc/69/01/14/402690114.db2.gz LXNZZQGPGJNUTG-XITLMJRVSA-N 1 1 317.389 2.407 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000255568151 402691302 /nfs/dbraw/zinc/69/13/02/402691302.db2.gz USOMGHUSIPPUFM-FOKAFCKMSA-N 1 1 315.373 2.349 20 5 DEBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000278073764 402853438 /nfs/dbraw/zinc/85/34/38/402853438.db2.gz XJESTRYQUSZNPK-ZDUSSCGKSA-N 1 1 321.352 2.481 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC[C@H]21 ZINC000278477250 402866616 /nfs/dbraw/zinc/86/66/16/402866616.db2.gz VAGIYHBMQSLFTG-SWLSCSKDSA-N 1 1 316.405 2.483 20 5 DEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000278795159 402871972 /nfs/dbraw/zinc/87/19/72/402871972.db2.gz MXLMUCAENPXNEK-GFCCVEGCSA-N 1 1 323.368 2.423 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCCCO ZINC000278931828 402887391 /nfs/dbraw/zinc/88/73/91/402887391.db2.gz STZGAUJUWRUOGG-GFCCVEGCSA-N 1 1 309.366 2.016 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000271952452 402887467 /nfs/dbraw/zinc/88/74/67/402887467.db2.gz XYUSKHUACHTVLY-UHFFFAOYSA-N 1 1 314.345 2.068 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000265190624 402899422 /nfs/dbraw/zinc/89/94/22/402899422.db2.gz OMFANNGDPCNIAG-LBPRGKRZSA-N 1 1 306.366 2.400 20 5 DEBDMO Cc1ccc(C[N@H+](C)[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000279417121 402940484 /nfs/dbraw/zinc/94/04/84/402940484.db2.gz MUWKSGPORKIHRP-AWEZNQCLSA-N 1 1 307.394 2.056 20 5 DEBDMO COC[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000265755693 402946837 /nfs/dbraw/zinc/94/68/37/402946837.db2.gz GFAWPWAPJVKGFA-CYBMUJFWSA-N 1 1 321.377 2.200 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC000272569802 402954449 /nfs/dbraw/zinc/95/44/49/402954449.db2.gz FPPZONMQDYNSBL-QMTHXVAHSA-N 1 1 323.780 2.414 20 5 DEBDMO CC(=O)c1ccc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000272214073 402910408 /nfs/dbraw/zinc/91/04/08/402910408.db2.gz QTDVFKJCMYGAIO-WBMJQRKESA-N 1 1 303.362 2.328 20 5 DEBDMO C[C@@H](O)CCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000279333407 402931822 /nfs/dbraw/zinc/93/18/22/402931822.db2.gz DDLKXYDABMYUCU-IUODEOHRSA-N 1 1 318.377 2.168 20 5 DEBDMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000266996504 403006777 /nfs/dbraw/zinc/00/67/77/403006777.db2.gz BGDDVWZMJAVKLB-CYBMUJFWSA-N 1 1 323.368 2.472 20 5 DEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000266996504 403006779 /nfs/dbraw/zinc/00/67/79/403006779.db2.gz BGDDVWZMJAVKLB-CYBMUJFWSA-N 1 1 323.368 2.472 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000280663238 403024757 /nfs/dbraw/zinc/02/47/57/403024757.db2.gz XIKZHHYHCWPHLP-UHFFFAOYSA-N 1 1 304.350 2.287 20 5 DEBDMO COc1cc(C[NH2+]CCF)c([N+](=O)[O-])cc1OCC(F)F ZINC000280689153 403027061 /nfs/dbraw/zinc/02/70/61/403027061.db2.gz OFPWJFRBZLGQET-UHFFFAOYSA-N 1 1 308.256 2.306 20 5 DEBDMO CC[N@H+]1CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000274289935 403042133 /nfs/dbraw/zinc/04/21/33/403042133.db2.gz GCMXUBCEQQFMSX-UHFFFAOYSA-N 1 1 311.357 2.270 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268155171 403055619 /nfs/dbraw/zinc/05/56/19/403055619.db2.gz NIAMLBIORPQLQG-RNCFNFMXSA-N 1 1 306.322 2.398 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268207623 403061800 /nfs/dbraw/zinc/06/18/00/403061800.db2.gz KBHIWVMPCOEELX-IAQYHMDHSA-N 1 1 303.362 2.116 20 5 DEBDMO Cc1nnc([C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268408495 403080597 /nfs/dbraw/zinc/08/05/97/403080597.db2.gz ABJXLXSKXNXKBR-CQSZACIVSA-N 1 1 315.377 2.443 20 5 DEBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268408495 403080600 /nfs/dbraw/zinc/08/06/00/403080600.db2.gz ABJXLXSKXNXKBR-CQSZACIVSA-N 1 1 315.377 2.443 20 5 DEBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268408495 403080602 /nfs/dbraw/zinc/08/06/02/403080602.db2.gz ABJXLXSKXNXKBR-CQSZACIVSA-N 1 1 315.377 2.443 20 5 DEBDMO Cc1nc([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000268408495 403080604 /nfs/dbraw/zinc/08/06/04/403080604.db2.gz ABJXLXSKXNXKBR-CQSZACIVSA-N 1 1 315.377 2.443 20 5 DEBDMO Cc1nc([C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000268408495 403080606 /nfs/dbraw/zinc/08/06/06/403080606.db2.gz ABJXLXSKXNXKBR-CQSZACIVSA-N 1 1 315.377 2.443 20 5 DEBDMO CC[C@@H]1CN(c2cccc(C)c2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000275473159 403103261 /nfs/dbraw/zinc/10/32/61/403103261.db2.gz OMAKKQYYVVYSRN-ZIAGYGMSSA-N 1 1 307.394 2.185 20 5 DEBDMO Cc1cc(N2CC[N@H+](CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000275823821 403126295 /nfs/dbraw/zinc/12/62/95/403126295.db2.gz NIPRXBDKVJCWRO-CYBMUJFWSA-N 1 1 307.394 2.185 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269487279 403143122 /nfs/dbraw/zinc/14/31/22/403143122.db2.gz BWQZXZAWPYRTQY-FZMZJTMJSA-N 1 1 318.377 2.012 20 5 DEBDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998480 403237774 /nfs/dbraw/zinc/23/77/74/403237774.db2.gz HSFOOKBSJGZVQR-CQDKDKBSSA-N 1 1 304.394 2.454 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CC)CC2)c1 ZINC000283656612 403213189 /nfs/dbraw/zinc/21/31/89/403213189.db2.gz DITZEVFXNWRMIL-UHFFFAOYSA-N 1 1 321.377 2.161 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C(C)(C)C1 ZINC000270907023 403238305 /nfs/dbraw/zinc/23/83/05/403238305.db2.gz BQMRGLSIJUTKDP-UHFFFAOYSA-N 1 1 316.361 2.242 20 5 DEBDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283396315 403194438 /nfs/dbraw/zinc/19/44/38/403194438.db2.gz UVGRQXCSAFEXPB-OCCSQVGLSA-N 1 1 321.377 2.159 20 5 DEBDMO CCCCOC[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285383125 403284765 /nfs/dbraw/zinc/28/47/65/403284765.db2.gz RUWVEJMXWCIJHN-HNNXBMFYSA-N 1 1 310.394 2.247 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000331183838 403347202 /nfs/dbraw/zinc/34/72/02/403347202.db2.gz YCBNCYPWEWVBFD-HNNXBMFYSA-N 1 1 305.378 2.315 20 5 DEBDMO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C)CO ZINC000292193766 403317478 /nfs/dbraw/zinc/31/74/78/403317478.db2.gz NIBHQKHYGVURQV-GFCCVEGCSA-N 1 1 319.361 2.495 20 5 DEBDMO COC1(CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000339036874 403330837 /nfs/dbraw/zinc/33/08/37/403330837.db2.gz FNOSXPBSOVHGAG-ZDUSSCGKSA-N 1 1 320.393 2.435 20 5 DEBDMO COc1ccc(C[NH+]2CCC(O)(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000331146921 403339921 /nfs/dbraw/zinc/33/99/21/403339921.db2.gz MIHSDLWEYIYWOU-UHFFFAOYSA-N 1 1 316.304 2.195 20 5 DEBDMO CC[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000342859568 403375810 /nfs/dbraw/zinc/37/58/10/403375810.db2.gz GUFUKZURTYTWAS-DFBGVHRSSA-N 1 1 305.378 2.360 20 5 DEBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285780507 403378440 /nfs/dbraw/zinc/37/84/40/403378440.db2.gz DXHWAJXJFNNXHL-GXTWGEPZSA-N 1 1 323.368 2.029 20 5 DEBDMO CCc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000331606993 403429824 /nfs/dbraw/zinc/42/98/24/403429824.db2.gz ZWBAFQKRNGMGRX-CYBMUJFWSA-N 1 1 303.362 2.124 20 5 DEBDMO CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CCC[N@@H+](C)C1 ZINC000342936784 403402947 /nfs/dbraw/zinc/40/29/47/403402947.db2.gz YYQWSHXHMXMXGM-NSHDSACASA-N 1 1 316.361 2.242 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)cs1 ZINC000331534419 403410159 /nfs/dbraw/zinc/41/01/59/403410159.db2.gz HHHRBKAXFJNFAE-UPJWGTAASA-N 1 1 312.391 2.018 20 5 DEBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000285956802 403418446 /nfs/dbraw/zinc/41/84/46/403418446.db2.gz XEFYYMIQFLZCRN-UHFFFAOYSA-N 1 1 321.333 2.375 20 5 DEBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000298837701 403472254 /nfs/dbraw/zinc/47/22/54/403472254.db2.gz DNYZDMPSUCCOSF-UHFFFAOYSA-N 1 1 323.780 2.416 20 5 DEBDMO Cc1noc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000332092392 403481523 /nfs/dbraw/zinc/48/15/23/403481523.db2.gz VYGYOBNPBGCRES-LLVKDONJSA-N 1 1 306.297 2.415 20 5 DEBDMO Cc1noc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000332092392 403481526 /nfs/dbraw/zinc/48/15/26/403481526.db2.gz VYGYOBNPBGCRES-LLVKDONJSA-N 1 1 306.297 2.415 20 5 DEBDMO COC(=O)[C@H]1CSCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000332233998 403523794 /nfs/dbraw/zinc/52/37/94/403523794.db2.gz QDNMVGKXMSLTRK-DGCLKSJQSA-N 1 1 324.402 2.494 20 5 DEBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCc4ccc([N+](=O)[O-])cc4)[C@H]1[C@H]3C2 ZINC000286559260 403534320 /nfs/dbraw/zinc/53/43/20/403534320.db2.gz OZBBLLPCGFNUNU-XPYWIHLFSA-N 1 1 302.374 2.493 20 5 DEBDMO 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CO[C@@H](C)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353490740 404845926 /nfs/dbraw/zinc/84/59/26/404845926.db2.gz HDMVOGQWXVUYAM-WFASDCNBSA-N 1 1 318.377 2.432 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC000360938563 404856514 /nfs/dbraw/zinc/85/65/14/404856514.db2.gz UZMJCCOEFBLIIM-GFCCVEGCSA-N 1 1 320.393 2.098 20 5 DEBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000435770748 405013476 /nfs/dbraw/zinc/01/34/76/405013476.db2.gz QLPDQDQFDCVQNX-CYBMUJFWSA-N 1 1 320.393 2.450 20 5 DEBDMO CC(C)[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@H+]1C ZINC000436376535 405075246 /nfs/dbraw/zinc/07/52/46/405075246.db2.gz IONGBVHAQFIWTD-OAHLLOKOSA-N 1 1 304.394 2.339 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000408148049 405123653 /nfs/dbraw/zinc/12/36/53/405123653.db2.gz KDYCBMVPARFGTC-VXGBXAGGSA-N 1 1 306.366 2.460 20 5 DEBDMO COC[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000452036852 405135520 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/nfs/dbraw/zinc/32/01/64/637320164.db2.gz UMBIVSXIXIQAAH-GFCCVEGCSA-N 1 1 303.366 2.019 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@H]2C2(O)CC2)c1 ZINC000839140098 637802629 /nfs/dbraw/zinc/80/26/29/637802629.db2.gz NPUDVHZAGRYIPF-GJZGRUSLSA-N 1 1 306.362 2.008 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)c1[N+](=O)[O-] ZINC000895348601 637955932 /nfs/dbraw/zinc/95/59/32/637955932.db2.gz BMBITGMPZHLQIV-IYBDPMFKSA-N 1 1 322.361 2.167 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000895571103 638086145 /nfs/dbraw/zinc/08/61/45/638086145.db2.gz BIXAMPXJYYWNFN-QWHCGFSZSA-N 1 1 308.407 2.290 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2C[C@@H](OC)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000896076164 638342107 /nfs/dbraw/zinc/34/21/07/638342107.db2.gz NNGNJUGANWBZAF-JQWIXIFHSA-N 1 1 310.350 2.308 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](OC)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000896076164 638342110 /nfs/dbraw/zinc/34/21/10/638342110.db2.gz NNGNJUGANWBZAF-JQWIXIFHSA-N 1 1 310.350 2.308 20 5 DEBDMO CC[N@@H+](C[C@@H]1CCCO1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749943641 638695146 /nfs/dbraw/zinc/69/51/46/638695146.db2.gz GINOUEKYFSBEDF-ZDUSSCGKSA-N 1 1 319.365 2.106 20 5 DEBDMO CC[N@@H+](C[C@H]1CCCO1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749943640 638695184 /nfs/dbraw/zinc/69/51/84/638695184.db2.gz GINOUEKYFSBEDF-CYBMUJFWSA-N 1 1 319.365 2.106 20 5 DEBDMO Cc1nn(C[N@H+]2CCS[C@H](C)[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749953937 638697188 /nfs/dbraw/zinc/69/71/88/638697188.db2.gz GXMMINQYUBMFGD-GHMZBOCLSA-N 1 1 321.406 2.431 20 5 DEBDMO Cc1nn(C[N@@H+]2CCS[C@H](C)[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749953937 638697190 /nfs/dbraw/zinc/69/71/90/638697190.db2.gz GXMMINQYUBMFGD-GHMZBOCLSA-N 1 1 321.406 2.431 20 5 DEBDMO C[N@@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)C1CCC1 ZINC000752792980 639220354 /nfs/dbraw/zinc/22/03/54/639220354.db2.gz NJANBXMKPFRDMP-UHFFFAOYSA-N 1 1 304.350 2.279 20 5 DEBDMO C[C@H]1COCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000753993588 639371692 /nfs/dbraw/zinc/37/16/92/639371692.db2.gz NMAMZOPYMQSNSO-CYBMUJFWSA-N 1 1 316.361 2.384 20 5 DEBDMO C[C@H]1COCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000753993588 639371695 /nfs/dbraw/zinc/37/16/95/639371695.db2.gz NMAMZOPYMQSNSO-CYBMUJFWSA-N 1 1 316.361 2.384 20 5 DEBDMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756993657 639726044 /nfs/dbraw/zinc/72/60/44/639726044.db2.gz WPEGHMBAPZVVHE-CYBMUJFWSA-N 1 1 311.769 2.349 20 5 DEBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000758154130 639920212 /nfs/dbraw/zinc/92/02/12/639920212.db2.gz DWBNEPNRIZFEOC-UHFFFAOYSA-N 1 1 320.324 2.484 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000763336100 640532570 /nfs/dbraw/zinc/53/25/70/640532570.db2.gz YRAQWLKYMWDTGD-NSHDSACASA-N 1 1 303.318 2.192 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000763336100 640532573 /nfs/dbraw/zinc/53/25/73/640532573.db2.gz YRAQWLKYMWDTGD-NSHDSACASA-N 1 1 303.318 2.192 20 5 DEBDMO CCC1(O)CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC000765035449 640727724 /nfs/dbraw/zinc/72/77/24/640727724.db2.gz IEZUCTOWKTXCEI-UHFFFAOYSA-N 1 1 318.377 2.447 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])CC[C@@H]21 ZINC000765547017 640792063 /nfs/dbraw/zinc/79/20/63/640792063.db2.gz XZTPZSRFYJDEBF-OLZOCXBDSA-N 1 1 315.377 2.163 20 5 DEBDMO CCC[N@@H+](C)CC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000898461760 641668028 /nfs/dbraw/zinc/66/80/28/641668028.db2.gz JCSFFYOPPWJVLS-UHFFFAOYSA-N 1 1 302.334 2.423 20 5 DEBDMO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000774876919 641975879 /nfs/dbraw/zinc/97/58/79/641975879.db2.gz FENPLAYKIGTANV-CQSZACIVSA-N 1 1 320.349 2.172 20 5 DEBDMO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775055121 642000910 /nfs/dbraw/zinc/00/09/10/642000910.db2.gz AANSRIMVKBDBRW-GHMZBOCLSA-N 1 1 309.322 2.096 20 5 DEBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775055121 642000914 /nfs/dbraw/zinc/00/09/14/642000914.db2.gz AANSRIMVKBDBRW-GHMZBOCLSA-N 1 1 309.322 2.096 20 5 DEBDMO C[N@@H+]1CC=C(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000776199027 642143080 /nfs/dbraw/zinc/14/30/80/642143080.db2.gz TVJJNRXCHYARQS-UHFFFAOYSA-N 1 1 306.391 2.143 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000776275970 642151915 /nfs/dbraw/zinc/15/19/15/642151915.db2.gz JEFVFFXXUIIKEZ-CZUORRHYSA-N 1 1 316.361 2.231 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCO)C2CCCCC2)cc1 ZINC000776590951 642189180 /nfs/dbraw/zinc/18/91/80/642189180.db2.gz MPOLTYFFFDODFR-INIZCTEOSA-N 1 1 308.378 2.255 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOCC23CCCC3)cc1 ZINC000776595792 642190835 /nfs/dbraw/zinc/19/08/35/642190835.db2.gz AMISIPFWBRZFAW-OAHLLOKOSA-N 1 1 306.362 2.273 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOCC23CCCC3)cc1 ZINC000776595792 642190837 /nfs/dbraw/zinc/19/08/37/642190837.db2.gz AMISIPFWBRZFAW-OAHLLOKOSA-N 1 1 306.362 2.273 20 5 DEBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@H]1O ZINC000778247555 642360812 /nfs/dbraw/zinc/36/08/12/642360812.db2.gz XTOOYMSFANCNEI-BMFZPTHFSA-N 1 1 308.378 2.111 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1C ZINC000901309342 642620056 /nfs/dbraw/zinc/62/00/56/642620056.db2.gz VILGVZQIDDHZKN-STQMWFEESA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1C ZINC000901309342 642620059 /nfs/dbraw/zinc/62/00/59/642620059.db2.gz VILGVZQIDDHZKN-STQMWFEESA-N 1 1 305.378 2.376 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000901712683 642765430 /nfs/dbraw/zinc/76/54/30/642765430.db2.gz CWNCVWUIYRARAO-OAHLLOKOSA-N 1 1 303.362 2.357 20 5 DEBDMO O=C1[C@H]2C[C@H]2CN1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000902290756 642981614 /nfs/dbraw/zinc/98/16/14/642981614.db2.gz RSIBEKGAGVSAAM-DZKIICNBSA-N 1 1 315.373 2.210 20 5 DEBDMO O=C1[C@H]2C[C@H]2CN1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000902290756 642981620 /nfs/dbraw/zinc/98/16/20/642981620.db2.gz RSIBEKGAGVSAAM-DZKIICNBSA-N 1 1 315.373 2.210 20 5 DEBDMO C/C(=C/C(=O)N1CCC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784991976 643191572 /nfs/dbraw/zinc/19/15/72/643191572.db2.gz MZSPONLTPSOZDE-SEYXRHQNSA-N 1 1 303.362 2.162 20 5 DEBDMO O=[N+]([O-])CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000905207804 643831535 /nfs/dbraw/zinc/83/15/35/643831535.db2.gz IUQCTCJNUVJLME-GVDBMIGSSA-N 1 1 303.406 2.153 20 5 DEBDMO CCOCC[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000791407407 643973591 /nfs/dbraw/zinc/97/35/91/643973591.db2.gz IMINBBYWVQOATP-UHFFFAOYSA-N 1 1 313.785 2.407 20 5 DEBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792881172 644163704 /nfs/dbraw/zinc/16/37/04/644163704.db2.gz XWYPYFGDWTUDIE-UHIISALHSA-N 1 1 323.349 2.484 20 5 DEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cn1 ZINC000799293557 645149955 /nfs/dbraw/zinc/14/99/55/645149955.db2.gz HWBDRXKLEIEZQG-HNNXBMFYSA-N 1 1 305.309 2.294 20 5 DEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cn1 ZINC000799293557 645149961 /nfs/dbraw/zinc/14/99/61/645149961.db2.gz HWBDRXKLEIEZQG-HNNXBMFYSA-N 1 1 305.309 2.294 20 5 DEBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)CC12CCC2 ZINC000800865537 645314460 /nfs/dbraw/zinc/31/44/60/645314460.db2.gz FJGMSSVFROIMHR-UHFFFAOYSA-N 1 1 303.362 2.182 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)CC12CCC2 ZINC000800865537 645314467 /nfs/dbraw/zinc/31/44/67/645314467.db2.gz FJGMSSVFROIMHR-UHFFFAOYSA-N 1 1 303.362 2.182 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000910288149 645392018 /nfs/dbraw/zinc/39/20/18/645392018.db2.gz NLAINCPTRRKGSZ-ZDUSSCGKSA-N 1 1 305.378 2.460 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000802137654 645487841 /nfs/dbraw/zinc/48/78/41/645487841.db2.gz VGQWSAOANXPRSW-ZDUSSCGKSA-N 1 1 322.361 2.169 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000802137654 645487843 /nfs/dbraw/zinc/48/78/43/645487843.db2.gz VGQWSAOANXPRSW-ZDUSSCGKSA-N 1 1 322.361 2.169 20 5 DEBDMO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[NH+]1C2CCC1CC2 ZINC000839960035 645510490 /nfs/dbraw/zinc/51/04/90/645510490.db2.gz QBNAPHVZSMBUSA-ZEPSKSRBSA-N 1 1 317.345 2.116 20 5 DEBDMO COC[C@@]1(C)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840109217 645976302 /nfs/dbraw/zinc/97/63/02/645976302.db2.gz VUPFQVLAPFDOQA-HNNXBMFYSA-N 1 1 304.350 2.260 20 5 DEBDMO CO[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000840125242 646008878 /nfs/dbraw/zinc/00/88/78/646008878.db2.gz MASJRTXRZFHPIL-ABAIWWIYSA-N 1 1 304.350 2.259 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000840139986 646091358 /nfs/dbraw/zinc/09/13/58/646091358.db2.gz DDDAWJUEYXDBNC-INIZCTEOSA-N 1 1 316.361 2.405 20 5 DEBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3F)C[C@@]2(C)C1 ZINC000913279178 646304649 /nfs/dbraw/zinc/30/46/49/646304649.db2.gz PGGBIXWUXIUWCT-IYBDPMFKSA-N 1 1 321.352 2.148 20 5 DEBDMO CNc1ccc(C(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000810837520 646430654 /nfs/dbraw/zinc/43/06/54/646430654.db2.gz IJRNOWCZCQGXQB-QWHCGFSZSA-N 1 1 319.361 2.420 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@H](n4cccn4)C3)c2c1 ZINC000812294516 646626818 /nfs/dbraw/zinc/62/68/18/646626818.db2.gz OXCKERVIPBJWMC-AWEZNQCLSA-N 1 1 312.333 2.046 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H](n4cccn4)C3)c2c1 ZINC000812294516 646626822 /nfs/dbraw/zinc/62/68/22/646626822.db2.gz OXCKERVIPBJWMC-AWEZNQCLSA-N 1 1 312.333 2.046 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173446204 646770226 /nfs/dbraw/zinc/77/02/26/646770226.db2.gz KMHCGRBFFPQOIK-CQSZACIVSA-N 1 1 309.414 2.029 20 5 DEBDMO CC[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000741033815 646916475 /nfs/dbraw/zinc/91/64/75/646916475.db2.gz YLSZOLYXRDLJKE-AWEZNQCLSA-N 1 1 322.361 2.441 20 5 DEBDMO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815557085 647030254 /nfs/dbraw/zinc/03/02/54/647030254.db2.gz LXTFJSBPABKYEN-MEBBXXQBSA-N 1 1 314.345 2.054 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](O)CC23CCC3)c1 ZINC000817290449 647259207 /nfs/dbraw/zinc/25/92/07/647259207.db2.gz IZKIHIWHDNQCIZ-GJZGRUSLSA-N 1 1 306.362 2.008 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000817570189 647321161 /nfs/dbraw/zinc/32/11/61/647321161.db2.gz YKHOONKSTNNVRC-CYBMUJFWSA-N 1 1 308.407 2.318 20 5 DEBDMO N[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818431027 647464917 /nfs/dbraw/zinc/46/49/17/647464917.db2.gz DUWYGIBBOPOXTA-IAGOWNOFSA-N 1 1 318.421 2.423 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000821526325 648077214 /nfs/dbraw/zinc/07/72/14/648077214.db2.gz AYSYWVXNZZYCBC-CHWSQXEVSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000821526325 648077217 /nfs/dbraw/zinc/07/72/17/648077217.db2.gz AYSYWVXNZZYCBC-CHWSQXEVSA-N 1 1 305.378 2.376 20 5 DEBDMO CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000921406687 648307112 /nfs/dbraw/zinc/30/71/12/648307112.db2.gz MTLAVVBRIXJPLK-JMSVASOKSA-N 1 1 320.393 2.295 20 5 DEBDMO CCN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000823921060 648500707 /nfs/dbraw/zinc/50/07/07/648500707.db2.gz MYAKFMSRZMKNAP-GFCCVEGCSA-N 1 1 321.381 2.125 20 5 DEBDMO CC(C)[N@H+]1CCCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823998032 648509832 /nfs/dbraw/zinc/50/98/32/648509832.db2.gz KDOWLUIWLHFBGQ-UHFFFAOYSA-N 1 1 321.381 2.125 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000824681246 648634175 /nfs/dbraw/zinc/63/41/75/648634175.db2.gz JILOJCNYPVPEKY-CYBMUJFWSA-N 1 1 305.378 2.426 20 5 DEBDMO Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000825641221 648793065 /nfs/dbraw/zinc/79/30/65/648793065.db2.gz SIOZWIQQGLKHCR-AWEZNQCLSA-N 1 1 303.362 2.146 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827320837 649014575 /nfs/dbraw/zinc/01/45/75/649014575.db2.gz SOQMFBSRBFSAGZ-IINYFYTJSA-N 1 1 323.780 2.414 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000827356735 649021448 /nfs/dbraw/zinc/02/14/48/649021448.db2.gz OSMSIEGVPCKGAS-HZMBPMFUSA-N 1 1 323.780 2.414 20 5 DEBDMO Cc1ccc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827367037 649024216 /nfs/dbraw/zinc/02/42/16/649024216.db2.gz PZYJAZKLQUGXNX-KGLIPLIRSA-N 1 1 303.362 2.069 20 5 DEBDMO CC[C@H]1C[N@@H+](CC)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829121391 649274760 /nfs/dbraw/zinc/27/47/60/649274760.db2.gz UCICPKVDHOOYGL-NSHDSACASA-N 1 1 308.338 2.424 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C[N@H+]1C1CC1 ZINC000829863581 649366454 /nfs/dbraw/zinc/36/64/54/649366454.db2.gz PUUGUIMRZPCTIG-VHSXEESVSA-N 1 1 307.325 2.089 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000829999753 649382397 /nfs/dbraw/zinc/38/23/97/649382397.db2.gz OFYLAFDCWJYMPS-GFCCVEGCSA-N 1 1 323.368 2.442 20 5 DEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000830813113 649499767 /nfs/dbraw/zinc/49/97/67/649499767.db2.gz YXHAWKGJVNNNRD-SGIREYDYSA-N 1 1 324.352 2.096 20 5 DEBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000831058416 649534244 /nfs/dbraw/zinc/53/42/44/649534244.db2.gz GGCSGFXKZLVQIX-MRXNPFEDSA-N 1 1 301.346 2.464 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1F ZINC000832298934 649693991 /nfs/dbraw/zinc/69/39/91/649693991.db2.gz VIKQTTKLKIXJCF-JOYOIKCWSA-N 1 1 322.258 2.479 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1F ZINC000832298934 649693992 /nfs/dbraw/zinc/69/39/92/649693992.db2.gz VIKQTTKLKIXJCF-JOYOIKCWSA-N 1 1 322.258 2.479 20 5 DEBDMO C[C@@H](CO)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844418265 651125406 /nfs/dbraw/zinc/12/54/06/651125406.db2.gz YBMDKENVBPBWSG-NSHDSACASA-N 1 1 323.349 2.343 20 5 DEBDMO COc1ccc(CC(=O)OC[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000845815941 651285424 /nfs/dbraw/zinc/28/54/24/651285424.db2.gz LPARJRDYRMZDRM-YPMHNXCESA-N 1 1 322.361 2.029 20 5 DEBDMO CC(C)(CCC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[N+](=O)[O-] ZINC000855814608 651785678 /nfs/dbraw/zinc/78/56/78/651785678.db2.gz HJXOIEZVHRBVRB-ZDUSSCGKSA-N 1 1 311.426 2.345 20 5 DEBDMO COc1ccc(C[NH2+]Cc2cn(C)nc2Cl)cc1[N+](=O)[O-] ZINC000856768104 651977899 /nfs/dbraw/zinc/97/78/99/651977899.db2.gz OPSICWODZYZGCF-UHFFFAOYSA-N 1 1 310.741 2.280 20 5 DEBDMO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852094614 652336819 /nfs/dbraw/zinc/33/68/19/652336819.db2.gz MARDBEFDZLKODU-LLVKDONJSA-N 1 1 323.324 2.008 20 5 DEBDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852094614 652336824 /nfs/dbraw/zinc/33/68/24/652336824.db2.gz MARDBEFDZLKODU-LLVKDONJSA-N 1 1 323.324 2.008 20 5 DEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852104435 652340994 /nfs/dbraw/zinc/34/09/94/652340994.db2.gz BUDZVRNBPPMNOF-IRXDYDNUSA-N 1 1 319.405 2.046 20 5 DEBDMO C[C@H]1COC2(CCC2)C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852441510 652402289 /nfs/dbraw/zinc/40/22/89/652402289.db2.gz BCZNQYKPVKOJFG-SWLSCSKDSA-N 1 1 306.362 2.272 20 5 DEBDMO C[C@H]1COC2(CCC2)C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852441510 652402291 /nfs/dbraw/zinc/40/22/91/652402291.db2.gz BCZNQYKPVKOJFG-SWLSCSKDSA-N 1 1 306.362 2.272 20 5 DEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928441626 693780147 /nfs/dbraw/zinc/78/01/47/693780147.db2.gz SULFRRKYJLXTNY-BJJXKVORSA-N 1 1 319.405 2.372 20 5 DEBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000928567880 693803566 /nfs/dbraw/zinc/80/35/66/693803566.db2.gz RHXWPGNDVDTWOS-GFCCVEGCSA-N 1 1 305.378 2.326 20 5 DEBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000928567880 693803570 /nfs/dbraw/zinc/80/35/70/693803570.db2.gz RHXWPGNDVDTWOS-GFCCVEGCSA-N 1 1 305.378 2.326 20 5 DEBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000155453457 684272895 /nfs/dbraw/zinc/27/28/95/684272895.db2.gz LLEGONCOFKBNIF-DGCLKSJQSA-N 1 1 304.350 2.137 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1COC(=O)Cn1c[nH+]cc1C ZINC000859947846 685860013 /nfs/dbraw/zinc/86/00/13/685860013.db2.gz FKNNWJIBCSZCOG-UHFFFAOYSA-N 1 1 319.317 2.242 20 5 DEBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000861032191 685987772 /nfs/dbraw/zinc/98/77/72/685987772.db2.gz KCAFEBAGXRQUBO-AWEZNQCLSA-N 1 1 322.361 2.171 20 5 DEBDMO CCC[N@@H+](CC[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000929855321 694043676 /nfs/dbraw/zinc/04/36/76/694043676.db2.gz LHVSRPDCWNBILX-UHFFFAOYSA-N 1 1 315.414 2.375 20 5 DEBDMO CC(C)(Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1)[N+](=O)[O-] ZINC000864642584 686790223 /nfs/dbraw/zinc/79/02/23/686790223.db2.gz RBZSPQNGKCPVJJ-OAHLLOKOSA-N 1 1 315.377 2.111 20 5 DEBDMO CC(C)(C)OC(=O)N1CCC([N@@H+](CC[N+](=O)[O-])C2CC2)CC1 ZINC000929950133 694057913 /nfs/dbraw/zinc/05/79/13/694057913.db2.gz JUMRTVUAHQJCIL-UHFFFAOYSA-N 1 1 313.398 2.127 20 5 DEBDMO C[C@](CO)([NH2+]Cc1ccnc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000865703956 687306851 /nfs/dbraw/zinc/30/68/51/687306851.db2.gz PEIZLSTWHGHNSO-OAHLLOKOSA-N 1 1 305.309 2.126 20 5 DEBDMO C[C@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000930162131 694102912 /nfs/dbraw/zinc/10/29/12/694102912.db2.gz MUTDFCKCCICLBT-UFBFGSQYSA-N 1 1 315.167 2.170 20 5 DEBDMO C[C@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000930162131 694102915 /nfs/dbraw/zinc/10/29/15/694102915.db2.gz MUTDFCKCCICLBT-UFBFGSQYSA-N 1 1 315.167 2.170 20 5 DEBDMO COc1cc(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c([N+](=O)[O-])cc1C ZINC000865996364 687403470 /nfs/dbraw/zinc/40/34/70/687403470.db2.gz HCISXNYLWPRTKI-LBPRGKRZSA-N 1 1 323.393 2.169 20 5 DEBDMO C[C@@H]1C[C@@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000866050659 687424113 /nfs/dbraw/zinc/42/41/13/687424113.db2.gz YJUGQMDEORBYAP-YPMHNXCESA-N 1 1 323.368 2.218 20 5 DEBDMO Cc1c([C@H](C)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000866414898 687566012 /nfs/dbraw/zinc/56/60/12/687566012.db2.gz UWXJIDBEULIJFL-KBPBESRZSA-N 1 1 321.421 2.399 20 5 DEBDMO Cc1c([C@H](C)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000866414898 687566016 /nfs/dbraw/zinc/56/60/16/687566016.db2.gz UWXJIDBEULIJFL-KBPBESRZSA-N 1 1 321.421 2.399 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000930317379 694135385 /nfs/dbraw/zinc/13/53/85/694135385.db2.gz ZYKUJNXQFAQTGP-AWEZNQCLSA-N 1 1 321.377 2.092 20 5 DEBDMO CCCCN(CCOC)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943617 687843784 /nfs/dbraw/zinc/84/37/84/687843784.db2.gz APSGKKPXZCKTKJ-INIZCTEOSA-N 1 1 323.393 2.044 20 5 DEBDMO CCCN(CC1CC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867944789 687844613 /nfs/dbraw/zinc/84/46/13/687844613.db2.gz IQYKKSWVZFMNKJ-MRXNPFEDSA-N 1 1 305.378 2.417 20 5 DEBDMO Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000868373444 687994789 /nfs/dbraw/zinc/99/47/89/687994789.db2.gz FUONIUKBLIERDE-GXTWGEPZSA-N 1 1 320.393 2.185 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000868785510 688139028 /nfs/dbraw/zinc/13/90/28/688139028.db2.gz ZZKDWGLQTAKUKH-CQSZACIVSA-N 1 1 320.393 2.187 20 5 DEBDMO C[C@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000870789247 688654058 /nfs/dbraw/zinc/65/40/58/688654058.db2.gz UVLUZABESUWIAJ-NEPJUHHUSA-N 1 1 309.366 2.353 20 5 DEBDMO C[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000871155696 688737604 /nfs/dbraw/zinc/73/76/04/688737604.db2.gz YXYLRYUHHLPQHZ-UHFFFAOYSA-N 1 1 319.405 2.470 20 5 DEBDMO Cc1cc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000871155749 688738147 /nfs/dbraw/zinc/73/81/47/688738147.db2.gz ZUWZCHWJXYIDIQ-UHFFFAOYSA-N 1 1 320.393 2.042 20 5 DEBDMO COc1ccc(NC(=O)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000930772914 694237903 /nfs/dbraw/zinc/23/79/03/694237903.db2.gz JSRLNCYZIGJDBM-NSHDSACASA-N 1 1 322.365 2.209 20 5 DEBDMO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872048008 688919188 /nfs/dbraw/zinc/91/91/88/688919188.db2.gz GJZTYFSLEYDMRV-GHMZBOCLSA-N 1 1 324.356 2.188 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])[C@@H]1CCNC(=O)OC(C)(C)C ZINC000930849120 694254260 /nfs/dbraw/zinc/25/42/60/694254260.db2.gz JVALPSOVRKHJGC-CHWSQXEVSA-N 1 1 315.414 2.278 20 5 DEBDMO CC(=O)c1ccc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000872778497 689090932 /nfs/dbraw/zinc/09/09/32/689090932.db2.gz AUXHDZDZIPDGHK-KBPBESRZSA-N 1 1 303.362 2.470 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C)CC[C@H](C(N)=O)[C@@H]1C ZINC000930909772 694269653 /nfs/dbraw/zinc/26/96/53/694269653.db2.gz BIUUKZVONOGFLZ-SUNKGSAMSA-N 1 1 321.377 2.078 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874835808 689509878 /nfs/dbraw/zinc/50/98/78/689509878.db2.gz AOQLYOSHTGAQQR-HUUCEWRRSA-N 1 1 303.362 2.212 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000874838359 689511799 /nfs/dbraw/zinc/51/17/99/689511799.db2.gz OAQQUNPKVUAZLX-JKSUJKDBSA-N 1 1 317.389 2.223 20 5 DEBDMO Cc1sc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874842900 689513621 /nfs/dbraw/zinc/51/36/21/689513621.db2.gz KOJUNHMVQQKQEQ-MNOVXSKESA-N 1 1 309.391 2.273 20 5 DEBDMO CCC(=O)N1CCC2(C[NH+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001035629306 690134757 /nfs/dbraw/zinc/13/47/57/690134757.db2.gz FAJHTZMZEOLHDR-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC000877738420 690209243 /nfs/dbraw/zinc/20/92/43/690209243.db2.gz BOWGMGMHBPRMBP-JSGCOSHPSA-N 1 1 320.349 2.029 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000878581445 690446970 /nfs/dbraw/zinc/44/69/70/690446970.db2.gz QBDMSCYRPNHGKU-SNVBAGLBSA-N 1 1 312.757 2.464 20 5 DEBDMO C=C/C=C\CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000878656044 690468234 /nfs/dbraw/zinc/46/82/34/690468234.db2.gz GEPYWAFALQCXHJ-ARJAWSKDSA-N 1 1 315.373 2.485 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000878899966 690523813 /nfs/dbraw/zinc/52/38/13/690523813.db2.gz QVIRXNLABNFCSW-LBPRGKRZSA-N 1 1 306.366 2.427 20 5 DEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCCOc1ccc([N+](=O)[O-])cc1 ZINC000931391562 694385461 /nfs/dbraw/zinc/38/54/61/694385461.db2.gz SOXQQGNYUAIRQH-GASCZTMLSA-N 1 1 305.378 2.142 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+]1CC ZINC000879464386 690647143 /nfs/dbraw/zinc/64/71/43/690647143.db2.gz JPDZWFKZDXYFBJ-GFCCVEGCSA-N 1 1 322.365 2.209 20 5 DEBDMO NC(=O)[C@@H](C1CC1)[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000879493601 690653803 /nfs/dbraw/zinc/65/38/03/690653803.db2.gz WMFCXDHHQNVJBF-OAHLLOKOSA-N 1 1 303.362 2.071 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880136309 690815247 /nfs/dbraw/zinc/81/52/47/690815247.db2.gz JRLJNTNFEWJYAS-LSDHHAIUSA-N 1 1 305.378 2.272 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000880136785 690816228 /nfs/dbraw/zinc/81/62/28/690816228.db2.gz SDXYQTDDFDNUJM-GJZGRUSLSA-N 1 1 315.377 2.140 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880145315 690822387 /nfs/dbraw/zinc/82/23/87/690822387.db2.gz NIAIGVNZJPJUTG-RYUDHWBXSA-N 1 1 321.377 2.015 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](CF)C2)c1 ZINC000880230668 690844336 /nfs/dbraw/zinc/84/43/36/690844336.db2.gz MUFCPTPEIWMEMU-JSGCOSHPSA-N 1 1 312.341 2.016 20 5 DEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882490814 691295242 /nfs/dbraw/zinc/29/52/42/691295242.db2.gz WTJYLYILEKSZQZ-ZBFHGGJFSA-N 1 1 319.405 2.374 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000882493503 691296686 /nfs/dbraw/zinc/29/66/86/691296686.db2.gz IBJYQORKXANADO-LBPRGKRZSA-N 1 1 305.378 2.083 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)OCC[NH+]2CCSCC2)c1C ZINC000885424093 691891651 /nfs/dbraw/zinc/89/16/51/691891651.db2.gz JTOPUUDKYQRHJW-UHFFFAOYSA-N 1 1 324.402 2.417 20 5 DEBDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886100825 692004153 /nfs/dbraw/zinc/00/41/53/692004153.db2.gz YQLKSHFYABLVLL-UHFFFAOYSA-N 1 1 308.382 2.020 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000886570393 692112353 /nfs/dbraw/zinc/11/23/53/692112353.db2.gz JJASVEUCPSYACE-BETUJISGSA-N 1 1 322.386 2.176 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886792038 692192145 /nfs/dbraw/zinc/19/21/45/692192145.db2.gz IMUNMMCHOBEJPF-GFCCVEGCSA-N 1 1 304.268 2.342 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886792038 692192146 /nfs/dbraw/zinc/19/21/46/692192146.db2.gz IMUNMMCHOBEJPF-GFCCVEGCSA-N 1 1 304.268 2.342 20 5 DEBDMO CCOc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000888830561 692610355 /nfs/dbraw/zinc/61/03/55/692610355.db2.gz VWMRAXISUZQTOR-LBPRGKRZSA-N 1 1 322.365 2.209 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000896519651 693003437 /nfs/dbraw/zinc/00/34/37/693003437.db2.gz WJLIIEQYBZCMJP-CYBMUJFWSA-N 1 1 321.377 2.269 20 5 DEBDMO CCn1nc(C)c([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000925387723 693265427 /nfs/dbraw/zinc/26/54/27/693265427.db2.gz HGQLBTHWSNAVAS-NSHDSACASA-N 1 1 319.365 2.244 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000932352765 694600024 /nfs/dbraw/zinc/60/00/24/694600024.db2.gz TXUHFVOEZZNPIQ-UHFFFAOYSA-N 1 1 323.418 2.485 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001334807634 1150343842 /nfs/dbraw/zinc/34/38/42/1150343842.db2.gz IAVPBMGDOZSHBJ-CQSZACIVSA-N 1 1 321.352 2.496 20 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O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@](O)(C(F)(F)F)C2)C1 ZINC001169011040 785003891 /nfs/dbraw/zinc/00/38/91/785003891.db2.gz HMTYSNHNHLKDKZ-IJLUTSLNSA-N 1 1 310.316 2.211 20 5 DEBDMO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036455 785011525 /nfs/dbraw/zinc/01/15/25/785011525.db2.gz FXTBDZWKDSVLMM-PMPSAXMXSA-N 1 1 320.389 2.148 20 5 DEBDMO CCOCc1ncn2c1C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169020533 785017331 /nfs/dbraw/zinc/01/73/31/785017331.db2.gz JHXHLPYRHUEIHD-ZIAGYGMSSA-N 1 1 322.409 2.071 20 5 DEBDMO Cc1cccnc1N1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169025497 785017816 /nfs/dbraw/zinc/01/78/16/785017816.db2.gz JOHCEWJNOCMWNM-HZPDHXFCSA-N 1 1 318.421 2.348 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)C1 ZINC001169023298 785018252 /nfs/dbraw/zinc/01/82/52/785018252.db2.gz FGZZBODTACZGHX-LTIDMASMSA-N 1 1 324.421 2.092 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)C1 ZINC001169023300 785018697 /nfs/dbraw/zinc/01/86/97/785018697.db2.gz FGZZBODTACZGHX-TWMKSMIVSA-N 1 1 324.421 2.092 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](Oc3ccncc3)C2)C1 ZINC001169052456 785022651 /nfs/dbraw/zinc/02/26/51/785022651.db2.gz GBLANEKMZCEMTD-YCPHGPKFSA-N 1 1 305.378 2.370 20 5 DEBDMO CCC[N@@H+](C)CC(=O)N(C)CCCNc1ccccc1[N+](=O)[O-] ZINC001109496092 785898710 /nfs/dbraw/zinc/89/87/10/785898710.db2.gz ATVFHAKJDOBAOV-UHFFFAOYSA-N 1 1 322.409 2.197 20 5 DEBDMO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001170298096 786893688 /nfs/dbraw/zinc/89/36/88/786893688.db2.gz ZXQRJYGXSYORAZ-QWHCGFSZSA-N 1 1 307.394 2.076 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC001170329571 786910700 /nfs/dbraw/zinc/91/07/00/786910700.db2.gz RPOAMPSKIKTFCS-TZMCWYRMSA-N 1 1 308.378 2.381 20 5 DEBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001135058901 789179310 /nfs/dbraw/zinc/17/93/10/789179310.db2.gz ADUPKXVDMILSMI-MPKXVKKWSA-N 1 1 321.352 2.112 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@@H]3COC[C@@H]3C1)CC2 ZINC001172903700 793522925 /nfs/dbraw/zinc/52/29/25/793522925.db2.gz IRNNGKQEPNCXDM-XHSDSOJGSA-N 1 1 302.374 2.420 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@H](F)C[C@H](CO)C1)CC2 ZINC001172908875 793524716 /nfs/dbraw/zinc/52/47/16/793524716.db2.gz PBYJIYGIJOFNBH-APHBMKBZSA-N 1 1 322.380 2.495 20 5 DEBDMO COC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914191 793530592 /nfs/dbraw/zinc/53/05/92/793530592.db2.gz DVIVPCZWUGGMQJ-RISCZKNCSA-N 1 1 306.362 2.336 20 5 DEBDMO C[C@H]1CN(C)C(=O)C[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918895 793532686 /nfs/dbraw/zinc/53/26/86/793532686.db2.gz CWIBUZBCARHTQW-SWLSCSKDSA-N 1 1 317.389 2.005 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+])c1F ZINC001173178209 793620525 /nfs/dbraw/zinc/62/05/25/793620525.db2.gz BMMFCRLATAZMMV-MNOVXSKESA-N 1 1 313.373 2.200 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)C[C@H](C)C[NH3+])c1F ZINC001173178209 793620530 /nfs/dbraw/zinc/62/05/30/793620530.db2.gz BMMFCRLATAZMMV-MNOVXSKESA-N 1 1 313.373 2.200 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@@H](O)C2)c1F ZINC001173187108 793621742 /nfs/dbraw/zinc/62/17/42/793621742.db2.gz WWZSMPVRWBXETE-WDEREUQCSA-N 1 1 312.341 2.130 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C2(C)COC2)c1F ZINC001173195348 793624731 /nfs/dbraw/zinc/62/47/31/793624731.db2.gz FADIAXWXOHCBHF-JTQLQIEISA-N 1 1 312.341 2.394 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)C2(C)COC2)c1F ZINC001173195348 793624737 /nfs/dbraw/zinc/62/47/37/793624737.db2.gz FADIAXWXOHCBHF-JTQLQIEISA-N 1 1 312.341 2.394 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[N@H+]3CC[C@@H]3C2)c1F ZINC001173194588 793624993 /nfs/dbraw/zinc/62/49/93/793624993.db2.gz VWJKCBWIJAZPRT-VXGBXAGGSA-N 1 1 323.368 2.063 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001173228619 793643508 /nfs/dbraw/zinc/64/35/08/793643508.db2.gz YILXSFQQBFQGFG-ZFWWWQNUSA-N 1 1 319.405 2.326 20 5 DEBDMO Cc1[nH]c(CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC001178441856 794915903 /nfs/dbraw/zinc/91/59/03/794915903.db2.gz YAISLZMPOXSZKB-VMPITWQZSA-N 1 1 300.318 2.264 20 5 DEBDMO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001118201670 795164461 /nfs/dbraw/zinc/16/44/61/795164461.db2.gz MAWIRNKJARVFGF-JTQLQIEISA-N 1 1 318.333 2.345 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001119921235 795373423 /nfs/dbraw/zinc/37/34/23/795373423.db2.gz ZESKMJXHUFQIGD-UHFFFAOYSA-N 1 1 320.393 2.098 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc([N+](=O)[O-])c1 ZINC001123454431 795915306 /nfs/dbraw/zinc/91/53/06/795915306.db2.gz YBDQVPKHAWBEGS-IUODEOHRSA-N 1 1 318.377 2.461 20 5 DEBDMO COc1cccc(C(=O)NCc2cnc(C(C)C)[nH]2)c1[N+](=O)[O-] ZINC001157125616 798146731 /nfs/dbraw/zinc/14/67/31/798146731.db2.gz XBCJTKVUNWKAFO-UHFFFAOYSA-N 1 1 318.333 2.380 20 5 DEBDMO CC(=O)NCCC1=CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001159004971 798503698 /nfs/dbraw/zinc/50/36/98/798503698.db2.gz UDOKBIKKEKSDQY-UHFFFAOYSA-N 1 1 303.362 2.253 20 5 DEBDMO C[N@H+]1CCC[C@@](C)(Nc2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001162341854 799066341 /nfs/dbraw/zinc/06/63/41/799066341.db2.gz PLRFIRCZMLCTNM-OAHLLOKOSA-N 1 1 301.350 2.434 20 5 DEBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001163366320 799323483 /nfs/dbraw/zinc/32/34/83/799323483.db2.gz UMODYFOPBANSDS-WCQYABFASA-N 1 1 308.382 2.067 20 5 DEBDMO C[C@@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CC[C@@]1(C)O ZINC001164350672 799579843 /nfs/dbraw/zinc/57/98/43/799579843.db2.gz WFHASGYXXUKYSK-RNHHIQEPSA-N 1 1 320.393 2.119 20 5 DEBDMO CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000932728133 799912349 /nfs/dbraw/zinc/91/23/49/799912349.db2.gz DAEOSNLRUCEUDA-GJZGRUSLSA-N 1 1 305.378 2.155 20 5 DEBDMO O=C1N[C@@H](C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)CO1 ZINC000932772341 799929439 /nfs/dbraw/zinc/92/94/39/799929439.db2.gz KZTKKRNPYPAGIW-CYBMUJFWSA-N 1 1 323.324 2.054 20 5 DEBDMO CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000933485765 800107236 /nfs/dbraw/zinc/10/72/36/800107236.db2.gz FYKNFRLZSQTLLN-CQSZACIVSA-N 1 1 323.368 2.219 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934118120 800266517 /nfs/dbraw/zinc/26/65/17/800266517.db2.gz KASACIXPRQNKGL-ZLKJLUDKSA-N 1 1 307.350 2.031 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934118120 800266521 /nfs/dbraw/zinc/26/65/21/800266521.db2.gz KASACIXPRQNKGL-ZLKJLUDKSA-N 1 1 307.350 2.031 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)C[C@H]1C ZINC000935071787 800548181 /nfs/dbraw/zinc/54/81/81/800548181.db2.gz RXSWVVDWSXQGBN-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)C[C@H]1C ZINC000935071787 800548185 /nfs/dbraw/zinc/54/81/85/800548185.db2.gz RXSWVVDWSXQGBN-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000935091280 800557122 /nfs/dbraw/zinc/55/71/22/800557122.db2.gz WNBGWCAWBSDKJL-TXEJJXNPSA-N 1 1 323.368 2.218 20 5 DEBDMO Cc1c(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cccc1[N+](=O)[O-] ZINC000935611653 800711908 /nfs/dbraw/zinc/71/19/08/800711908.db2.gz ICTGXKYZXUNKFF-OAHLLOKOSA-N 1 1 305.378 2.392 20 5 DEBDMO O=[N+]([O-])c1ccc2oc(O[C@H]3CCc4[nH+]ccn4C3)nc2c1 ZINC001229489426 801283507 /nfs/dbraw/zinc/28/35/07/801283507.db2.gz CBMMRGJNLPIXHZ-JTQLQIEISA-N 1 1 300.274 2.326 20 5 DEBDMO CC(=O)Cc1c(F)c(O[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC001230793837 801494904 /nfs/dbraw/zinc/49/49/04/801494904.db2.gz DSXHTRGAKZXMCM-LLVKDONJSA-N 1 1 310.325 2.338 20 5 DEBDMO CC(=O)Cc1c(F)c(O[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC001230793837 801494905 /nfs/dbraw/zinc/49/49/05/801494905.db2.gz DSXHTRGAKZXMCM-LLVKDONJSA-N 1 1 310.325 2.338 20 5 DEBDMO CC[N@H+]1CCC[C@H](Oc2ccc(CC[N+](=O)[O-])cc2OC)C1 ZINC001233986398 802259003 /nfs/dbraw/zinc/25/90/03/802259003.db2.gz KWAHEYPICPZGEW-AWEZNQCLSA-N 1 1 308.378 2.378 20 5 DEBDMO Cc1cc(NC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc([N+](=O)[O-])c1 ZINC001220414627 802457094 /nfs/dbraw/zinc/45/70/94/802457094.db2.gz RVULAAOAINROKU-WBMJQRKESA-N 1 1 318.377 2.319 20 5 DEBDMO COC(=O)c1cccc(COC2C[NH+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001223663752 802807373 /nfs/dbraw/zinc/80/73/73/802807373.db2.gz AHFVBOKNLMYVGR-UHFFFAOYSA-N 1 1 322.361 2.381 20 5 DEBDMO COC(=O)Cc1ccc(O[C@@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001226215118 803073213 /nfs/dbraw/zinc/07/32/13/803073213.db2.gz UWOSHXJTGBXSLP-CYBMUJFWSA-N 1 1 322.361 2.173 20 5 DEBDMO Cc1ccc(N2CCC[C@H](Oc3ncc([N+](=O)[O-])cn3)C2)[nH+]c1 ZINC001226733054 803150848 /nfs/dbraw/zinc/15/08/48/803150848.db2.gz FRFFPQHXWVIHJR-ZDUSSCGKSA-N 1 1 315.333 2.136 20 5 DEBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3cc(Cl)cc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001228255806 803336194 /nfs/dbraw/zinc/33/61/94/803336194.db2.gz MBINFOQYDNNROW-FZZIBODNSA-N 1 1 310.737 2.431 20 5 DEBDMO C[N@H+]1[C@@H]2C[C@H](Oc3cc(Cl)cc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001228255806 803336201 /nfs/dbraw/zinc/33/62/01/803336201.db2.gz MBINFOQYDNNROW-FZZIBODNSA-N 1 1 310.737 2.431 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001603845331 1070118071 /nfs/dbraw/zinc/11/80/71/1070118071.db2.gz BVDNUOHNSQXSOY-PHIMTYICSA-N 1 1 316.365 2.253 20 5 DEBDMO Cc1c(C(=O)N2CC[N@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001472580961 1060546687 /nfs/dbraw/zinc/54/66/87/1060546687.db2.gz GBCGSFQTICKVCI-NSHDSACASA-N 1 1 303.362 2.212 20 5 DEBDMO Cc1c(C(=O)N2CC[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001472580961 1060546708 /nfs/dbraw/zinc/54/67/08/1060546708.db2.gz GBCGSFQTICKVCI-NSHDSACASA-N 1 1 303.362 2.212 20 5 DEBDMO COC(=O)CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC001474395232 1060862629 /nfs/dbraw/zinc/86/26/29/1060862629.db2.gz WCEXFLPDRBWUFF-UHFFFAOYSA-N 1 1 319.317 2.311 20 5 DEBDMO C/C=C(/C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001480390578 1062782518 /nfs/dbraw/zinc/78/25/18/1062782518.db2.gz DQYYYCHAAOJRPZ-NVISPBHVSA-N 1 1 315.373 2.107 20 5 DEBDMO CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001568235743 1064719761 /nfs/dbraw/zinc/71/97/61/1064719761.db2.gz VCKIDYHTIKLIJZ-ZIAGYGMSSA-N 1 1 311.426 2.106 20 5 DEBDMO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCC[N@@H+]1CC=CCC1 ZINC001568462579 1064888441 /nfs/dbraw/zinc/88/84/41/1064888441.db2.gz VJUJWFQKRGQKPI-UHFFFAOYSA-N 1 1 323.780 2.169 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001632260338 1078380727 /nfs/dbraw/zinc/38/07/27/1078380727.db2.gz MXAFEOOQWPJAPZ-GFCCVEGCSA-N 1 1 317.349 2.282 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001632260338 1078380730 /nfs/dbraw/zinc/38/07/30/1078380730.db2.gz MXAFEOOQWPJAPZ-GFCCVEGCSA-N 1 1 317.349 2.282 20 5 DEBDMO C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])c2cc(F)ccc2C[NH2+]1 ZINC001576768091 1066684156 /nfs/dbraw/zinc/68/41/56/1066684156.db2.gz CWYFGLPDKCRBNR-LLVKDONJSA-N 1 1 323.368 2.486 20 5 DEBDMO Cc1[nH]c(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c(C)[nH+]1 ZINC001635398299 1078450123 /nfs/dbraw/zinc/45/01/23/1078450123.db2.gz PEYVISKMMKXZDL-UHFFFAOYSA-N 1 1 320.324 2.323 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001637860218 1078535464 /nfs/dbraw/zinc/53/54/64/1078535464.db2.gz GGHUMPFGBVQNIR-UHFFFAOYSA-N 1 1 322.752 2.437 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C(C)(C)C1 ZINC001639266427 1078604805 /nfs/dbraw/zinc/60/48/05/1078604805.db2.gz LCLFBACWNZCZPS-ZDUSSCGKSA-N 1 1 309.341 2.194 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC001640548875 1078666521 /nfs/dbraw/zinc/66/65/21/1078666521.db2.gz HLHCDGSEZHAPJT-GFCCVEGCSA-N 1 1 308.382 2.307 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001645341391 1078896743 /nfs/dbraw/zinc/89/67/43/1078896743.db2.gz NRHOZFAGKODDDE-CQSZACIVSA-N 1 1 305.378 2.363 20 5 DEBDMO Cc1ccc(NC(=O)c2ccc(C[NH+](C)C)o2)c(N)c1[N+](=O)[O-] ZINC001648299151 1074991955 /nfs/dbraw/zinc/99/19/55/1074991955.db2.gz MWGPHINLGCRQLN-UHFFFAOYSA-N 1 1 318.333 2.392 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC001587229211 1076414982 /nfs/dbraw/zinc/41/49/82/1076414982.db2.gz WYXIMCNEULWZRK-GFCCVEGCSA-N 1 1 323.368 2.456 20 5 DEBDMO C[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001590262602 1076603311 /nfs/dbraw/zinc/60/33/11/1076603311.db2.gz WPBRRSBQLDKSEI-NSHDSACASA-N 1 1 316.365 2.397 20 5 DEBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](CC)CC2)cc1C ZINC001651298271 1079800802 /nfs/dbraw/zinc/80/08/02/1079800802.db2.gz SQZIKYRGMHBEQQ-UHFFFAOYSA-N 1 1 321.377 2.222 20 5 DEBDMO CCCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001484811961 1079803987 /nfs/dbraw/zinc/80/39/87/1079803987.db2.gz FYGSXILLNHGWAB-ZIAGYGMSSA-N 1 1 311.426 2.203 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001651657688 1079824489 /nfs/dbraw/zinc/82/44/89/1079824489.db2.gz GNUORFIZBDDMFF-YVMONPNESA-N 1 1 314.345 2.183 20 5 DEBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](CC3=NOCC3)CC2)cc1 ZINC001653457618 1079929909 /nfs/dbraw/zinc/92/99/09/1079929909.db2.gz UMIBOXQDGOYXES-UHFFFAOYSA-N 1 1 305.334 2.214 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001655940642 1080026551 /nfs/dbraw/zinc/02/65/51/1080026551.db2.gz WLKRDDOMUUHGJM-HNNXBMFYSA-N 1 1 307.394 2.390 20 5 DEBDMO CCN(C)[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001655940642 1080026563 /nfs/dbraw/zinc/02/65/63/1080026563.db2.gz WLKRDDOMUUHGJM-HNNXBMFYSA-N 1 1 307.394 2.390 20 5 DEBDMO CCN(C)[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001655940642 1080026571 /nfs/dbraw/zinc/02/65/71/1080026571.db2.gz WLKRDDOMUUHGJM-HNNXBMFYSA-N 1 1 307.394 2.390 20 5 DEBDMO C[N@@H+]1CCC12CN(C(=O)c1ccnc3c1ccc1cccnc13)C2 ZINC001269223786 1081171254 /nfs/dbraw/zinc/17/12/54/1081171254.db2.gz AXAUFEIYCJWEDN-UHFFFAOYSA-N 1 1 318.380 2.313 20 5 DEBDMO C[N@H+]1CCC12CN(C(=O)c1ccnc3c1ccc1cccnc13)C2 ZINC001269223786 1081171258 /nfs/dbraw/zinc/17/12/58/1081171258.db2.gz AXAUFEIYCJWEDN-UHFFFAOYSA-N 1 1 318.380 2.313 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001669627336 1081460430 /nfs/dbraw/zinc/46/04/30/1081460430.db2.gz YZDMCQPRZMBDSP-LBPRGKRZSA-N 1 1 322.365 2.161 20 5 DEBDMO C[N@@H+](CCNC(=O)C1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266250113 1081916639 /nfs/dbraw/zinc/91/66/39/1081916639.db2.gz FBGPWRZRRIDZGV-UHFFFAOYSA-N 1 1 305.378 2.333 20 5 DEBDMO [NH3+]Cc1ncn(-c2nc3c(ccc4ccccc43)nc2Cl)n1 ZINC001168753240 1086404036 /nfs/dbraw/zinc/40/40/36/1086404036.db2.gz ADLPUKDVBTWKRN-UHFFFAOYSA-N 1 1 310.748 2.476 20 5 DEBDMO C[C@@H](OCCCN1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001206590383 1138324175 /nfs/dbraw/zinc/32/41/75/1138324175.db2.gz KXIIFESCHOATRA-CQSZACIVSA-N 1 1 307.394 2.310 20 5 DEBDMO COc1ccc(C[C@H](C)N2C[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246542521 1140948638 /nfs/dbraw/zinc/94/86/38/1140948638.db2.gz PXGRPBPVCFHAJU-SGMGOOAPSA-N 1 1 307.394 2.061 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC001321016722 1141030729 /nfs/dbraw/zinc/03/07/29/1141030729.db2.gz YJBPIRIGWPNUTR-GFCCVEGCSA-N 1 1 301.350 2.146 20 5 DEBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nc(-c2ccncc2)no1 ZINC001248208787 1141727063 /nfs/dbraw/zinc/72/70/63/1141727063.db2.gz KYAJXZWLSXKFJQ-CYBMUJFWSA-N 1 1 311.301 2.282 20 5 DEBDMO COCn1ncc(C)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC001324039162 1141969763 /nfs/dbraw/zinc/96/97/63/1141969763.db2.gz LUWFHEICNHSUOB-UHFFFAOYSA-N 1 1 320.349 2.002 20 5 DEBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001336887533 1142617074 /nfs/dbraw/zinc/61/70/74/1142617074.db2.gz UTLXMTAYLPWVKQ-HZUKXOBISA-N 1 1 305.378 2.493 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ncnc4cccc([N+](=O)[O-])c43)[C@@H]2C1 ZINC001337430828 1142752123 /nfs/dbraw/zinc/75/21/23/1142752123.db2.gz GWYQSDNOEDXEAH-TUAOUCFPSA-N 1 1 313.361 2.290 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC001338465901 1142857614 /nfs/dbraw/zinc/85/76/14/1142857614.db2.gz UTWQLLMJRUDVFB-BHYNMZESSA-N 1 1 323.780 2.318 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC001339199245 1142979683 /nfs/dbraw/zinc/97/96/83/1142979683.db2.gz BFZAPPPNOPFKKT-HOSYDEDBSA-N 1 1 323.780 2.318 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001339263994 1143001854 /nfs/dbraw/zinc/00/18/54/1143001854.db2.gz IODDGQQPIKPHTB-AWEZNQCLSA-N 1 1 323.368 2.267 20 5 DEBDMO CC(=O)N1CCC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254550060 1143244123 /nfs/dbraw/zinc/24/41/23/1143244123.db2.gz CFABXXPGAOQSIQ-CYBMUJFWSA-N 1 1 305.378 2.080 20 5 DEBDMO COC(=O)[C@]1(C)CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254570584 1143253220 /nfs/dbraw/zinc/25/32/20/1143253220.db2.gz OHIVCCOOSRGACX-BLLLJJGKSA-N 1 1 306.362 2.411 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@](O)(CF)C1)C2 ZINC001254599307 1143275181 /nfs/dbraw/zinc/27/51/81/1143275181.db2.gz NMRZBTKZNXCIIK-HZPDHXFCSA-N 1 1 308.353 2.249 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C1)C2 ZINC001254603013 1143277564 /nfs/dbraw/zinc/27/75/64/1143277564.db2.gz KGMDEQGVWKFYQB-SIRPWMCASA-N 1 1 300.358 2.171 20 5 DEBDMO CC(C)C[C@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC001262562297 1144319077 /nfs/dbraw/zinc/31/90/77/1144319077.db2.gz WOGCORQHSCLZDC-CVEARBPZSA-N 1 1 309.410 2.194 20 5 DEBDMO C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC001263151437 1144358823 /nfs/dbraw/zinc/35/88/23/1144358823.db2.gz BVFZQAJWGRPFBU-QWHCGFSZSA-N 1 1 320.393 2.439 20 5 DEBDMO Cc1[nH]c(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c(C)[nH+]1 ZINC001303892675 1147337583 /nfs/dbraw/zinc/33/75/83/1147337583.db2.gz SIYNOVWRZQOYDP-UHFFFAOYSA-N 1 1 306.297 2.312 20 5 DEBDMO C[C@@H](C(=O)N[C@H]1C[N@@H+](C)CC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC001303988586 1147341310 /nfs/dbraw/zinc/34/13/10/1147341310.db2.gz IUIVONNRIWJWLH-YGRLFVJLSA-N 1 1 323.368 2.294 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C1 ZINC001306055552 1147378470 /nfs/dbraw/zinc/37/84/70/1147378470.db2.gz GUGDCCCNAMCHIQ-NSHDSACASA-N 1 1 309.341 2.209 20 5 DEBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccns1 ZINC001307979414 1147440381 /nfs/dbraw/zinc/44/03/81/1147440381.db2.gz DJVOSKOLMIFZBR-MRVPVSSYSA-N 1 1 306.347 2.001 20 5 DEBDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001308060980 1147444363 /nfs/dbraw/zinc/44/43/63/1147444363.db2.gz RBTCDRRZDAVLGY-LBPRGKRZSA-N 1 1 323.349 2.486 20 5 DEBDMO Cc1coc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001317457250 1147711480 /nfs/dbraw/zinc/71/14/80/1147711480.db2.gz POUBZXCSXLTQOB-UHFFFAOYSA-N 1 1 317.345 2.358 20 5 DEBDMO CN(C[C@H]1CC[N@@H+](C)C1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278357039 214111279 /nfs/dbraw/zinc/11/12/79/214111279.db2.gz KAMLWCZJWNTXIU-VIFPVBQESA-N 1 1 318.299 2.397 20 5 DEBDMO CSc1ccc(C(=O)NC2C[NH+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000278523749 214211445 /nfs/dbraw/zinc/21/14/45/214211445.db2.gz CGOMRIOGHANMOU-UHFFFAOYSA-N 1 1 309.391 2.139 20 5 DEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000612611680 361872939 /nfs/dbraw/zinc/87/29/39/361872939.db2.gz FHLVBPRDAJRHQI-LLVKDONJSA-N 1 1 322.340 2.340 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087409413 185224417 /nfs/dbraw/zinc/22/44/17/185224417.db2.gz NQHNOIWZRCVSKT-HNNXBMFYSA-N 1 1 319.405 2.328 20 5 DEBDMO CC[C@@]1(CO)CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000189612926 282314304 /nfs/dbraw/zinc/31/43/04/282314304.db2.gz FSYSRIKZRPXYJI-INIZCTEOSA-N 1 1 324.377 2.219 20 5 DEBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1Cc1ccccc1 ZINC000286731816 219134246 /nfs/dbraw/zinc/13/42/46/219134246.db2.gz MPNONDRKQRJGRD-INIZCTEOSA-N 1 1 312.373 2.353 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000331858277 529966613 /nfs/dbraw/zinc/96/66/13/529966613.db2.gz WLOHGUKNKZHAID-GFCCVEGCSA-N 1 1 316.361 2.242 20 5 DEBDMO C[C@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000330856754 232117126 /nfs/dbraw/zinc/11/71/26/232117126.db2.gz NTGFKTQZNRFTCU-SRVKXCTJSA-N 1 1 323.368 2.388 20 5 DEBDMO Cc1c(C[N@H+](C)[C@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000279653767 215035423 /nfs/dbraw/zinc/03/54/23/215035423.db2.gz BUAZCMNOZATFHL-CYBMUJFWSA-N 1 1 307.394 2.056 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])cc1OC ZINC000279749083 215113731 /nfs/dbraw/zinc/11/37/31/215113731.db2.gz YLMUUULSLCBAKH-INIZCTEOSA-N 1 1 324.377 2.349 20 5 DEBDMO C[C@H]1OCC[C@@]12C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279920678 215237421 /nfs/dbraw/zinc/23/74/21/215237421.db2.gz WFAJOWUCETVRBS-XJKCOSOUSA-N 1 1 306.362 2.363 20 5 DEBDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279920678 215237425 /nfs/dbraw/zinc/23/74/25/215237425.db2.gz WFAJOWUCETVRBS-XJKCOSOUSA-N 1 1 306.362 2.363 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000152428050 186071639 /nfs/dbraw/zinc/07/16/39/186071639.db2.gz XIEFNIIKXJRURZ-HOTGVXAUSA-N 1 1 306.362 2.017 20 5 DEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000152428050 186071641 /nfs/dbraw/zinc/07/16/41/186071641.db2.gz XIEFNIIKXJRURZ-HOTGVXAUSA-N 1 1 306.362 2.017 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCOCC1 ZINC000155721419 186106475 /nfs/dbraw/zinc/10/64/75/186106475.db2.gz LBBYTHGAIXRHBG-UHFFFAOYSA-N 1 1 321.377 2.282 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000177901291 186201386 /nfs/dbraw/zinc/20/13/86/186201386.db2.gz KTXIRQGDFKVBTK-WDEREUQCSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H]1C ZINC000177901291 186201387 /nfs/dbraw/zinc/20/13/87/186201387.db2.gz KTXIRQGDFKVBTK-WDEREUQCSA-N 1 1 307.350 2.272 20 5 DEBDMO Cc1noc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595491277 358464009 /nfs/dbraw/zinc/46/40/09/358464009.db2.gz COKUIHYYLGATRZ-INIZCTEOSA-N 1 1 317.345 2.027 20 5 DEBDMO Cc1noc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595491277 358464011 /nfs/dbraw/zinc/46/40/11/358464011.db2.gz COKUIHYYLGATRZ-INIZCTEOSA-N 1 1 317.345 2.027 20 5 DEBDMO Cc1noc(CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595501113 358466188 /nfs/dbraw/zinc/46/61/88/358466188.db2.gz HOKQOHXYMDOLHL-NSHDSACASA-N 1 1 308.382 2.197 20 5 DEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCC2)CC1 ZINC000287222685 219389900 /nfs/dbraw/zinc/38/99/00/219389900.db2.gz ITYUCECIBNSLGR-UHFFFAOYSA-N 1 1 303.362 2.472 20 5 DEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000172839363 198156188 /nfs/dbraw/zinc/15/61/88/198156188.db2.gz XKLXCYCEGYZYKW-CYBMUJFWSA-N 1 1 320.393 2.123 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172960657 198171110 /nfs/dbraw/zinc/17/11/10/198171110.db2.gz SUEYWWSOWPVWPK-BETUJISGSA-N 1 1 303.362 2.430 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000173782281 198251510 /nfs/dbraw/zinc/25/15/10/198251510.db2.gz LJOMFQVENNYUGZ-AWEZNQCLSA-N 1 1 319.405 2.328 20 5 DEBDMO Cc1noc(C[NH+]2CCC(c3ccncn3)CC2)c1[N+](=O)[O-] ZINC000595535472 358476142 /nfs/dbraw/zinc/47/61/42/358476142.db2.gz PMIORZAHMBWTQS-UHFFFAOYSA-N 1 1 303.322 2.061 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000174521335 198346138 /nfs/dbraw/zinc/34/61/38/198346138.db2.gz FXAVQQFUOMECAF-ZDUSSCGKSA-N 1 1 305.378 2.317 20 5 DEBDMO CCCC[N@@H+](CCCO)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182159594 199395218 /nfs/dbraw/zinc/39/52/18/199395218.db2.gz MNWXRVOJAPMHHN-CYBMUJFWSA-N 1 1 323.393 2.406 20 5 DEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000045753286 354262087 /nfs/dbraw/zinc/26/20/87/354262087.db2.gz ZUBYVDMPPBQMAA-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000046381265 354281561 /nfs/dbraw/zinc/28/15/61/354281561.db2.gz RRWCIMLIBQIAJV-LBPRGKRZSA-N 1 1 306.366 2.448 20 5 DEBDMO COC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000053897494 354446201 /nfs/dbraw/zinc/44/62/01/354446201.db2.gz HCGVUNMOHHPMTO-LLVKDONJSA-N 1 1 307.350 2.033 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000053637236 354440932 /nfs/dbraw/zinc/44/09/32/354440932.db2.gz KQVHORADOZCGDY-UHFFFAOYSA-N 1 1 323.418 2.485 20 5 DEBDMO CCOC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000060485274 354616290 /nfs/dbraw/zinc/61/62/90/354616290.db2.gz FJVOCLVWOVYBEO-UHFFFAOYSA-N 1 1 321.377 2.059 20 5 DEBDMO CCC[N@H+]1CC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000067679451 354773767 /nfs/dbraw/zinc/77/37/67/354773767.db2.gz XMBWNRNKPRYAGV-CQSZACIVSA-N 1 1 320.393 2.126 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000076177519 355131887 /nfs/dbraw/zinc/13/18/87/355131887.db2.gz SDRAVFXQBNJAQW-UHFFFAOYSA-N 1 1 306.362 2.476 20 5 DEBDMO O=C(C[N@H+]1CCC[C@@H]1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000363385156 283091932 /nfs/dbraw/zinc/09/19/32/283091932.db2.gz VBHKRJWAVOLAHH-OAHLLOKOSA-N 1 1 315.373 2.358 20 5 DEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000087329468 355508398 /nfs/dbraw/zinc/50/83/98/355508398.db2.gz ZXWDWDKOXORTLV-HNNXBMFYSA-N 1 1 317.389 2.128 20 5 DEBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000126334224 355816131 /nfs/dbraw/zinc/81/61/31/355816131.db2.gz PWSWKLNCALJNLQ-QKVFXAPYSA-N 1 1 314.407 2.063 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000141425039 355889936 /nfs/dbraw/zinc/88/99/36/355889936.db2.gz NHQDIPOTDAOEQF-CQSZACIVSA-N 1 1 303.362 2.214 20 5 DEBDMO CC(C)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181544776 356085151 /nfs/dbraw/zinc/08/51/51/356085151.db2.gz KJCGZRNWXOSOBM-CQSZACIVSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@H]1C[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000316863566 356431369 /nfs/dbraw/zinc/43/13/69/356431369.db2.gz VTALHZYRKBKIIM-WDEREUQCSA-N 1 1 301.350 2.433 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC001472028073 1151854567 /nfs/dbraw/zinc/85/45/67/1151854567.db2.gz ZGISEYYUZIRUGY-NSHDSACASA-N 1 1 311.769 2.318 20 5 DEBDMO CC[N@H+](C)CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236869675 202044902 /nfs/dbraw/zinc/04/49/02/202044902.db2.gz PDNMEGCNHRNQCW-UHFFFAOYSA-N 1 1 317.393 2.037 20 5 DEBDMO CC[N@@H+](C)CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236869675 202044904 /nfs/dbraw/zinc/04/49/04/202044904.db2.gz PDNMEGCNHRNQCW-UHFFFAOYSA-N 1 1 317.393 2.037 20 5 DEBDMO Cc1nc([N+](=O)[O-])c(-c2noc(C[N@@H+]3[C@H](C)CC[C@@H]3C)n2)n1C ZINC000350921047 356587851 /nfs/dbraw/zinc/58/78/51/356587851.db2.gz DAIHDXWPQLLMBV-DTORHVGOSA-N 1 1 320.353 2.060 20 5 DEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])s1 ZINC000618687161 363572416 /nfs/dbraw/zinc/57/24/16/363572416.db2.gz LZQXLKHNNGLOLM-LLVKDONJSA-N 1 1 311.407 2.346 20 5 DEBDMO C[N@@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C[C@H]2C1 ZINC000581356975 357173229 /nfs/dbraw/zinc/17/32/29/357173229.db2.gz AOTGRHLWFFXSFT-DTORHVGOSA-N 1 1 316.283 2.006 20 5 DEBDMO CNC(=O)CC[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179410927 199030590 /nfs/dbraw/zinc/03/05/90/199030590.db2.gz ZLWOGDCNVOHUJC-UHFFFAOYSA-N 1 1 317.345 2.423 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000593187665 358029011 /nfs/dbraw/zinc/02/90/11/358029011.db2.gz NLZIBVBXKGXOTC-JHJVBQTASA-N 1 1 305.378 2.077 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593461007 358083357 /nfs/dbraw/zinc/08/33/57/358083357.db2.gz FUHDYADAIIHJGP-AWEZNQCLSA-N 1 1 323.368 2.267 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593613599 358111168 /nfs/dbraw/zinc/11/11/68/358111168.db2.gz UEAIOTDIZDBYEW-AWEZNQCLSA-N 1 1 323.368 2.265 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCCC[C@@H]1CO ZINC000594016726 358190168 /nfs/dbraw/zinc/19/01/68/358190168.db2.gz GAYCIJGPXZHXLB-CQSZACIVSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCCC[C@@H]1CO ZINC000594016726 358190169 /nfs/dbraw/zinc/19/01/69/358190169.db2.gz GAYCIJGPXZHXLB-CQSZACIVSA-N 1 1 321.377 2.079 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000595019364 358379313 /nfs/dbraw/zinc/37/93/13/358379313.db2.gz MDBBQVKALDKOHG-RISCZKNCSA-N 1 1 321.377 2.263 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1CCO ZINC000595703597 358528635 /nfs/dbraw/zinc/52/86/35/358528635.db2.gz UQIDVHBUGIHGIR-KBPBESRZSA-N 1 1 308.378 2.457 20 5 DEBDMO O=c1[nH]ccc(N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000596058055 358600216 /nfs/dbraw/zinc/60/02/16/358600216.db2.gz BMELIPHZTGHAEP-UHFFFAOYSA-N 1 1 320.374 2.079 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596077163 358604785 /nfs/dbraw/zinc/60/47/85/358604785.db2.gz LLVLHWGKYGKEFZ-TXEJJXNPSA-N 1 1 308.382 2.475 20 5 DEBDMO CCc1nn(C)c(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596570012 358716989 /nfs/dbraw/zinc/71/69/89/358716989.db2.gz GNGVWYYJLFBFEI-ZDUSSCGKSA-N 1 1 321.425 2.425 20 5 DEBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCOCCO)C1CCC1 ZINC000597205497 358853621 /nfs/dbraw/zinc/85/36/21/358853621.db2.gz GCKALWNWVWIVNQ-GQCTYLIASA-N 1 1 320.389 2.471 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342821 359170348 /nfs/dbraw/zinc/17/03/48/359170348.db2.gz QJAVBMOQKYAGAR-TZMCWYRMSA-N 1 1 305.378 2.299 20 5 DEBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000598560483 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CC[N@@H+](C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611204900 361547101 /nfs/dbraw/zinc/54/71/01/361547101.db2.gz APFFQTUGJZXCFW-STQMWFEESA-N 1 1 321.377 2.280 20 5 DEBDMO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[N@@H+](CC4CC4)C3)c2c1 ZINC000611708446 361664586 /nfs/dbraw/zinc/66/45/86/361664586.db2.gz VLUGQSIVUBFRPG-GFCCVEGCSA-N 1 1 313.361 2.434 20 5 DEBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611712185 361664621 /nfs/dbraw/zinc/66/46/21/361664621.db2.gz IEBRKVCIBBTLLF-LLVKDONJSA-N 1 1 324.344 2.265 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C ZINC000091437636 193056119 /nfs/dbraw/zinc/05/61/19/193056119.db2.gz RGSCNHSCPMJRNP-UWVGGRQHSA-N 1 1 311.769 2.461 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@@H](CCCO)C2)c([N+](=O)[O-])cc1OC ZINC000449789824 241092021 /nfs/dbraw/zinc/09/20/21/241092021.db2.gz IKZRRYVEPGYVJY-GFCCVEGCSA-N 1 1 324.377 2.206 20 5 DEBDMO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NCC1CC1 ZINC000451549077 243096290 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CC[N@@H+]1CC[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000539069233 285068613 /nfs/dbraw/zinc/06/86/13/285068613.db2.gz SLUMTNICRHSBHN-XJKSGUPXSA-N 1 1 307.394 2.294 20 5 DEBDMO CC[N@H+]1CC[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000539069233 285068614 /nfs/dbraw/zinc/06/86/14/285068614.db2.gz SLUMTNICRHSBHN-XJKSGUPXSA-N 1 1 307.394 2.294 20 5 DEBDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000120132840 195103193 /nfs/dbraw/zinc/10/31/93/195103193.db2.gz ZIPPLIBILNGKCD-LBPRGKRZSA-N 1 1 304.350 2.060 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000270154296 208215904 /nfs/dbraw/zinc/21/59/04/208215904.db2.gz ROEHOWALKUQCGX-SWLSCSKDSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272938751 210324275 /nfs/dbraw/zinc/32/42/75/210324275.db2.gz LRHPKSVGBUPUGI-MNOVXSKESA-N 1 1 320.397 2.032 20 5 DEBDMO CC(C)[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272897576 210286920 /nfs/dbraw/zinc/28/69/20/210286920.db2.gz CEFSSCNBXKTWQF-ZIAGYGMSSA-N 1 1 308.378 2.455 20 5 DEBDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000542762381 285247356 /nfs/dbraw/zinc/24/73/56/285247356.db2.gz KEFAMSNPLDYEFA-SNVBAGLBSA-N 1 1 310.329 2.197 20 5 DEBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411257526 227372315 /nfs/dbraw/zinc/37/23/15/227372315.db2.gz UKQNSNZVYHEPPS-WFASDCNBSA-N 1 1 321.377 2.159 20 5 DEBDMO Cc1c(C[NH2+][C@](C)(C(N)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000195226178 132545846 /nfs/dbraw/zinc/54/58/46/132545846.db2.gz BIDBQOVHXONMJX-KRWDZBQOSA-N 1 1 313.357 2.394 20 5 DEBDMO O=C(C[NH2+]Cc1csc([N+](=O)[O-])c1)N1Cc2ccccc2C1 ZINC000355506446 133030308 /nfs/dbraw/zinc/03/03/08/133030308.db2.gz VVLBFTJESRXOJQ-UHFFFAOYSA-N 1 1 317.370 2.288 20 5 DEBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000355603335 133036873 /nfs/dbraw/zinc/03/68/73/133036873.db2.gz XOLUMEMZGAJPQQ-LLVKDONJSA-N 1 1 322.361 2.377 20 5 DEBDMO COC(=O)COc1ccc(C[N@@H+]2CCC23CCC3)cc1[N+](=O)[O-] ZINC000355744742 133045363 /nfs/dbraw/zinc/04/53/63/133045363.db2.gz YOWHKSRLMRSQBC-UHFFFAOYSA-N 1 1 320.345 2.275 20 5 DEBDMO COC(=O)COc1ccc(C[N@H+]2CCC23CCC3)cc1[N+](=O)[O-] ZINC000355744742 133045364 /nfs/dbraw/zinc/04/53/64/133045364.db2.gz YOWHKSRLMRSQBC-UHFFFAOYSA-N 1 1 320.345 2.275 20 5 DEBDMO Cc1cccc(NCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000359755837 133142995 /nfs/dbraw/zinc/14/29/95/133142995.db2.gz PFAHYCJUDPWPOP-UHFFFAOYSA-N 1 1 314.345 2.069 20 5 DEBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000362821449 133253035 /nfs/dbraw/zinc/25/30/35/133253035.db2.gz YKFYPNNPGHWEKF-BBRMVZONSA-N 1 1 319.405 2.231 20 5 DEBDMO CC(C)[N@H+](C)C[C@@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000563010587 292024303 /nfs/dbraw/zinc/02/43/03/292024303.db2.gz GKLCIDAKKKBXON-CYBMUJFWSA-N 1 1 322.409 2.242 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000563010587 292024304 /nfs/dbraw/zinc/02/43/04/292024304.db2.gz GKLCIDAKKKBXON-CYBMUJFWSA-N 1 1 322.409 2.242 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000563022307 292025649 /nfs/dbraw/zinc/02/56/49/292025649.db2.gz IOYQRZVWGSUROW-OAHLLOKOSA-N 1 1 320.393 2.219 20 5 DEBDMO [NH3+]CCN(Cc1ccc2nc[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000564314818 292091249 /nfs/dbraw/zinc/09/12/49/292091249.db2.gz HLTABQKYUOUTPM-UHFFFAOYSA-N 1 1 311.345 2.436 20 5 DEBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000249034661 145175922 /nfs/dbraw/zinc/17/59/22/145175922.db2.gz FWOCFBWBOQUGGL-IUODEOHRSA-N 1 1 322.361 2.105 20 5 DEBDMO CNC(=O)[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255669859 145204620 /nfs/dbraw/zinc/20/46/20/145204620.db2.gz IEHOUVPNZIYJAV-ZBKLQPJUSA-N 1 1 303.362 2.066 20 5 DEBDMO Nc1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000261748542 145222742 /nfs/dbraw/zinc/22/27/42/145222742.db2.gz VWGCKXWEWBIYQB-CQSZACIVSA-N 1 1 313.361 2.258 20 5 DEBDMO Cc1cc(OC[C@@H](O)C[N@H+](C)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000315417465 145359919 /nfs/dbraw/zinc/35/99/19/145359919.db2.gz VDMZDCFBRQNQJD-NSHDSACASA-N 1 1 314.769 2.391 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000317140331 145365123 /nfs/dbraw/zinc/36/51/23/145365123.db2.gz FEPPVHOFGUKELZ-VXGBXAGGSA-N 1 1 307.325 2.091 20 5 DEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000317140324 145365203 /nfs/dbraw/zinc/36/52/03/145365203.db2.gz FEPPVHOFGUKELZ-RYUDHWBXSA-N 1 1 307.325 2.091 20 5 DEBDMO C[C@H](C[NH+]1CCOCC1)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000322162377 145378001 /nfs/dbraw/zinc/37/80/01/145378001.db2.gz MSNYJZIJMYRZGN-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1COC[C@@H]1O ZINC000348639867 146293809 /nfs/dbraw/zinc/29/38/09/146293809.db2.gz ZVOMDEAFJMRPKN-CABCVRRESA-N 1 1 318.329 2.046 20 5 DEBDMO CSc1cccc(C(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000358659729 147176129 /nfs/dbraw/zinc/17/61/29/147176129.db2.gz FPHLRYKPRYBZNL-GHMZBOCLSA-N 1 1 323.418 2.481 20 5 DEBDMO CC[C@@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000127676756 401744993 /nfs/dbraw/zinc/74/49/93/401744993.db2.gz KFKSHDKZZXCRNQ-RHSMWYFYSA-N 1 1 320.437 2.271 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000112444966 401745379 /nfs/dbraw/zinc/74/53/79/401745379.db2.gz LXEPIIPACBVQPQ-UHFFFAOYSA-N 1 1 322.409 2.168 20 5 DEBDMO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000126681334 401704555 /nfs/dbraw/zinc/70/45/55/401704555.db2.gz YXCBMPUYGOUJLB-ZRNGKTOUSA-N 1 1 304.799 2.447 20 5 DEBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000126681334 401704557 /nfs/dbraw/zinc/70/45/57/401704557.db2.gz YXCBMPUYGOUJLB-ZRNGKTOUSA-N 1 1 304.799 2.447 20 5 DEBDMO COCCOC[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000075953224 401774776 /nfs/dbraw/zinc/77/47/76/401774776.db2.gz KTYJJELFIPBLHS-AWEZNQCLSA-N 1 1 308.378 2.388 20 5 DEBDMO COCC[N@@H+]1[C@H](C)CN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000132037246 401861262 /nfs/dbraw/zinc/86/12/62/401861262.db2.gz JSXFPCMYTLWJGD-TXEJJXNPSA-N 1 1 311.357 2.279 20 5 DEBDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000136251507 401964477 /nfs/dbraw/zinc/96/44/77/401964477.db2.gz SWGCCCABFHRKGC-AWEZNQCLSA-N 1 1 322.361 2.197 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000119795404 401967163 /nfs/dbraw/zinc/96/71/63/401967163.db2.gz VUAPXTAPVNJNOY-GFCCVEGCSA-N 1 1 323.368 2.442 20 5 DEBDMO Cc1c(NC(=O)C[N@@H+](C)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000089936115 401975244 /nfs/dbraw/zinc/97/52/44/401975244.db2.gz UQIKMFBHDSPCIW-NSHDSACASA-N 1 1 309.391 2.279 20 5 DEBDMO Cc1c(NC(=O)C[N@H+](C)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000089936115 401975246 /nfs/dbraw/zinc/97/52/46/401975246.db2.gz UQIKMFBHDSPCIW-NSHDSACASA-N 1 1 309.391 2.279 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000137000636 401977297 /nfs/dbraw/zinc/97/72/97/401977297.db2.gz BZCSDFHXMKDBPV-UHFFFAOYSA-N 1 1 311.769 2.416 20 5 DEBDMO C[C@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550803 401985086 /nfs/dbraw/zinc/98/50/86/401985086.db2.gz NXRWBUBKALSUNB-GUTXKFCHSA-N 1 1 305.378 2.410 20 5 DEBDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000120713499 401999874 /nfs/dbraw/zinc/99/98/74/401999874.db2.gz HHXOIMMXSSDFME-VHDGCEQUSA-N 1 1 310.398 2.053 20 5 DEBDMO CCC(=O)N1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000092186947 402002531 /nfs/dbraw/zinc/00/25/31/402002531.db2.gz PGTKNWYAIXCXLB-UHFFFAOYSA-N 1 1 305.378 2.348 20 5 DEBDMO CCC(=O)N1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000092186947 402002534 /nfs/dbraw/zinc/00/25/34/402002534.db2.gz PGTKNWYAIXCXLB-UHFFFAOYSA-N 1 1 305.378 2.348 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000066968852 402148338 /nfs/dbraw/zinc/14/83/38/402148338.db2.gz RYFIDNBRNPHUFS-XVJNWHFHSA-N 1 1 303.362 2.209 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153572534 402153810 /nfs/dbraw/zinc/15/38/10/402153810.db2.gz KSMBXPKGZYBAPS-LRDDRELGSA-N 1 1 319.361 2.034 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000067178960 402153913 /nfs/dbraw/zinc/15/39/13/402153913.db2.gz ORCAOJVYWMHQJZ-ATWMFIQVSA-N 1 1 303.362 2.209 20 5 DEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154000000 402186107 /nfs/dbraw/zinc/18/61/07/402186107.db2.gz OMJIYQSMSNDEJM-CQSZACIVSA-N 1 1 323.368 2.267 20 5 DEBDMO Cn1cccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000124148477 402166437 /nfs/dbraw/zinc/16/64/37/402166437.db2.gz FIKPXHPZDCQCAA-UHFFFAOYSA-N 1 1 300.362 2.256 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000153872132 402176440 /nfs/dbraw/zinc/17/64/40/402176440.db2.gz WTYDHZLXSKOTLC-UHFFFAOYSA-N 1 1 316.361 2.191 20 5 DEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106785571 402216044 /nfs/dbraw/zinc/21/60/44/402216044.db2.gz VZDFMQMSNMAJCS-GFCCVEGCSA-N 1 1 318.377 2.045 20 5 DEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154374021 402209346 /nfs/dbraw/zinc/20/93/46/402209346.db2.gz HTEDGCKVIOFPHG-RDJZCZTQSA-N 1 1 321.421 2.434 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000155869530 402269405 /nfs/dbraw/zinc/26/94/05/402269405.db2.gz FTCHGJCCXCXXNA-HNNXBMFYSA-N 1 1 323.368 2.075 20 5 DEBDMO CCOC[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000176307003 402298438 /nfs/dbraw/zinc/29/84/38/402298438.db2.gz RKDCRMAIBRRHAX-CYBMUJFWSA-N 1 1 324.377 2.341 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177054028 402364450 /nfs/dbraw/zinc/36/44/50/402364450.db2.gz MKVZFLGFECSSIO-VMIDCOPPSA-N 1 1 315.373 2.349 20 5 DEBDMO COC(=O)[C@]1(C)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000177474528 402406742 /nfs/dbraw/zinc/40/67/42/402406742.db2.gz CQBWSGYSPUJOCE-MRXNPFEDSA-N 1 1 322.361 2.249 20 5 DEBDMO CN(C(=O)C[N@@H+]1CCSC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000177510802 402411203 /nfs/dbraw/zinc/41/12/03/402411203.db2.gz AIHRSHGYZQQJOM-UHFFFAOYSA-N 1 1 323.418 2.385 20 5 DEBDMO CN(C(=O)C[N@H+]1CCSC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000177510802 402411205 /nfs/dbraw/zinc/41/12/05/402411205.db2.gz AIHRSHGYZQQJOM-UHFFFAOYSA-N 1 1 323.418 2.385 20 5 DEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@](C)(O)C1 ZINC000248358361 402587281 /nfs/dbraw/zinc/58/72/81/402587281.db2.gz QRULALLCFBFXBQ-BMIGLBTASA-N 1 1 318.333 2.163 20 5 DEBDMO CCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000171680005 402609068 /nfs/dbraw/zinc/60/90/68/402609068.db2.gz HYEVBFHLCMMYPK-UHFFFAOYSA-N 1 1 303.362 2.358 20 5 DEBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000181335543 402642317 /nfs/dbraw/zinc/64/23/17/402642317.db2.gz LIYLVCVGBSBZEP-GFCCVEGCSA-N 1 1 322.283 2.219 20 5 DEBDMO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000184444961 402844169 /nfs/dbraw/zinc/84/41/69/402844169.db2.gz BFMSWTWSFKWABD-WDEREUQCSA-N 1 1 323.374 2.142 20 5 DEBDMO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280135788 402967744 /nfs/dbraw/zinc/96/77/44/402967744.db2.gz CRMBDQDKXFBQIP-MRXNPFEDSA-N 1 1 306.362 2.365 20 5 DEBDMO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280135788 402967745 /nfs/dbraw/zinc/96/77/45/402967745.db2.gz CRMBDQDKXFBQIP-MRXNPFEDSA-N 1 1 306.362 2.365 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000265600705 402932161 /nfs/dbraw/zinc/93/21/61/402932161.db2.gz UPZBDWFFGSIPJM-UHFFFAOYSA-N 1 1 322.752 2.112 20 5 DEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CC[C@H](C)O ZINC000266756133 402988705 /nfs/dbraw/zinc/98/87/05/402988705.db2.gz RUQCINXCRDXABJ-WDEREUQCSA-N 1 1 320.349 2.409 20 5 DEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC[C@H](C)O ZINC000266756133 402988706 /nfs/dbraw/zinc/98/87/06/402988706.db2.gz RUQCINXCRDXABJ-WDEREUQCSA-N 1 1 320.349 2.409 20 5 DEBDMO CC[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000273449615 403005791 /nfs/dbraw/zinc/00/57/91/403005791.db2.gz KUWSDMMJXHBNHB-UHFFFAOYSA-N 1 1 310.329 2.340 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280675642 403026107 /nfs/dbraw/zinc/02/61/07/403026107.db2.gz YHPNWSGLQQIGCQ-ZDUSSCGKSA-N 1 1 323.393 2.129 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274013836 403028999 /nfs/dbraw/zinc/02/89/99/403028999.db2.gz OQGRZDTWRFGNPL-WCQYABFASA-N 1 1 318.377 2.192 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274013836 403029001 /nfs/dbraw/zinc/02/90/01/403029001.db2.gz OQGRZDTWRFGNPL-WCQYABFASA-N 1 1 318.377 2.192 20 5 DEBDMO O=C(NCC[N@H+]1CC=CCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000280280361 402983439 /nfs/dbraw/zinc/98/34/39/402983439.db2.gz QHYLBFAWVHMHSM-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000280280361 402983440 /nfs/dbraw/zinc/98/34/40/402983440.db2.gz QHYLBFAWVHMHSM-UHFFFAOYSA-N 1 1 309.753 2.240 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CCCCO1 ZINC000266695883 402984427 /nfs/dbraw/zinc/98/44/27/402984427.db2.gz WPFODDOWHAQXEN-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000266695883 402984428 /nfs/dbraw/zinc/98/44/28/402984428.db2.gz WPFODDOWHAQXEN-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1cccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268154972 403055298 /nfs/dbraw/zinc/05/52/98/403055298.db2.gz HAMXUGDVKDTZMV-RISCZKNCSA-N 1 1 303.362 2.116 20 5 DEBDMO Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268154968 403055497 /nfs/dbraw/zinc/05/54/97/403055497.db2.gz HAMXUGDVKDTZMV-BXUZGUMPSA-N 1 1 303.362 2.116 20 5 DEBDMO CCc1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268280136 403069991 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CCc1ccc(C(=O)N2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000270862398 403232834 /nfs/dbraw/zinc/23/28/34/403232834.db2.gz ADOFMKFJRYVKMT-UHFFFAOYSA-N 1 1 305.378 2.323 20 5 DEBDMO CCc1ccc(C(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000270862398 403232837 /nfs/dbraw/zinc/23/28/37/403232837.db2.gz ADOFMKFJRYVKMT-UHFFFAOYSA-N 1 1 305.378 2.323 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270926404 403240605 /nfs/dbraw/zinc/24/06/05/403240605.db2.gz PPGDSCLRJKZTFD-STQMWFEESA-N 1 1 303.362 2.353 20 5 DEBDMO CCC[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000270965907 403246184 /nfs/dbraw/zinc/24/61/84/403246184.db2.gz OWCBWMKEGIWBBD-CQSZACIVSA-N 1 1 322.409 2.235 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[N@@H+](CCO)CC1 ZINC000277705503 403247607 /nfs/dbraw/zinc/24/76/07/403247607.db2.gz DPBINUGNRCHPBQ-UHFFFAOYSA-N 1 1 313.785 2.061 20 5 DEBDMO CCC[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000270990018 403250324 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1 1 320.393 2.219 20 5 DEBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](CC2CC2)CC1 ZINC000298846787 403473521 /nfs/dbraw/zinc/47/35/21/403473521.db2.gz IRXJGINYEUYAML-UHFFFAOYSA-N 1 1 323.780 2.416 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000332114941 403487768 /nfs/dbraw/zinc/48/77/68/403487768.db2.gz XBFLTMSBIWQXHU-UHFFFAOYSA-N 1 1 320.374 2.474 20 5 DEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000299157873 403536605 /nfs/dbraw/zinc/53/66/05/403536605.db2.gz SZIBQUQIDDTTSY-TUAOUCFPSA-N 1 1 309.366 2.284 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345957389 403549422 /nfs/dbraw/zinc/54/94/22/403549422.db2.gz MLMMZPPIRZRCHM-QWRGUYRKSA-N 1 1 309.341 2.289 20 5 DEBDMO CC[C@H](C)[N@@H+](CCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000287393181 403590319 /nfs/dbraw/zinc/59/03/19/403590319.db2.gz NOWJKJCERXVBLN-NSHDSACASA-N 1 1 320.349 2.238 20 5 DEBDMO CCc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343420287 403581378 /nfs/dbraw/zinc/58/13/78/403581378.db2.gz AHKNOCMZAQQETK-FZMZJTMJSA-N 1 1 305.378 2.370 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000347340632 403671247 /nfs/dbraw/zinc/67/12/47/403671247.db2.gz PDXCMNWSYSJRBN-IDKBZEPQSA-N 1 1 320.389 2.471 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000343680123 403689659 /nfs/dbraw/zinc/68/96/59/403689659.db2.gz WAGDUTZLKIXQLF-CQSZACIVSA-N 1 1 305.378 2.128 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000347441296 403710942 /nfs/dbraw/zinc/71/09/42/403710942.db2.gz NFQQJLGIATWCRO-GFCCVEGCSA-N 1 1 324.768 2.195 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000286482929 292289608 /nfs/dbraw/zinc/28/96/08/292289608.db2.gz WSTRITFXFOOSPC-UONOGXRCSA-N 1 1 305.378 2.203 20 5 DEBDMO Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302853778 403734319 /nfs/dbraw/zinc/73/43/19/403734319.db2.gz KBHSSANHHOGSSX-BETUJISGSA-N 1 1 312.373 2.449 20 5 DEBDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347613121 403775757 /nfs/dbraw/zinc/77/57/57/403775757.db2.gz GRKMLGDBFWUAHL-IPYPFGDCSA-N 1 1 324.425 2.299 20 5 DEBDMO C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000567207875 292296098 /nfs/dbraw/zinc/29/60/98/292296098.db2.gz OANZRSRQRRPJAV-UPJWGTAASA-N 1 1 305.378 2.249 20 5 DEBDMO CC(C)Oc1cc(C(=O)NC[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000411613608 403912379 /nfs/dbraw/zinc/91/23/79/403912379.db2.gz CGRVBYNUAWWHAM-CYBMUJFWSA-N 1 1 321.377 2.206 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000369067953 403955799 /nfs/dbraw/zinc/95/57/99/403955799.db2.gz VPHIAQDUSWSRGL-LLVKDONJSA-N 1 1 309.391 2.403 20 5 DEBDMO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000351921725 404008126 /nfs/dbraw/zinc/00/81/26/404008126.db2.gz SZXBPKCMCHICAR-SMDDNHRTSA-N 1 1 317.345 2.105 20 5 DEBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000351921724 404008964 /nfs/dbraw/zinc/00/89/64/404008964.db2.gz SZXBPKCMCHICAR-RISCZKNCSA-N 1 1 317.345 2.105 20 5 DEBDMO C[C@H](F)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000351878807 403980223 /nfs/dbraw/zinc/98/02/23/403980223.db2.gz SEZMWFFGYVAKGZ-LBPRGKRZSA-N 1 1 309.341 2.101 20 5 DEBDMO C[C@H]1[C@@H](N2CCOCC2)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351980449 404053179 /nfs/dbraw/zinc/05/31/79/404053179.db2.gz CEAONKDHYCTVPY-WFASDCNBSA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@H]1[C@@H](N2CCOCC2)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351980449 404053185 /nfs/dbraw/zinc/05/31/85/404053185.db2.gz CEAONKDHYCTVPY-WFASDCNBSA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000412126605 404148517 /nfs/dbraw/zinc/14/85/17/404148517.db2.gz FBSCNKLNJGTCSK-XABYNWHXSA-N 1 1 317.389 2.297 20 5 DEBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCOC1 ZINC000352233929 404235595 /nfs/dbraw/zinc/23/55/95/404235595.db2.gz ZYDCUTGZGKYWLA-CYBMUJFWSA-N 1 1 308.334 2.072 20 5 DEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCOC1 ZINC000352233929 404235601 /nfs/dbraw/zinc/23/56/01/404235601.db2.gz ZYDCUTGZGKYWLA-CYBMUJFWSA-N 1 1 308.334 2.072 20 5 DEBDMO COC(=O)c1cc(C)nc(N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000290691660 404273648 /nfs/dbraw/zinc/27/36/48/404273648.db2.gz MMTCOHFISQMOBD-LLVKDONJSA-N 1 1 324.381 2.225 20 5 DEBDMO Cc1c(CC(=O)N[C@H](C)C[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000290901994 404353710 /nfs/dbraw/zinc/35/37/10/404353710.db2.gz HKOAUVBLKCUIJV-GFCCVEGCSA-N 1 1 307.394 2.291 20 5 DEBDMO C[N@@H+](C[C@@H](O)COc1cc(F)c([N+](=O)[O-])cc1Cl)C1CC1 ZINC000290797834 404316808 /nfs/dbraw/zinc/31/68/08/404316808.db2.gz PELSEHWARHRRGP-SECBINFHSA-N 1 1 318.732 2.221 20 5 DEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])nc2)C[C@H](C)O1 ZINC000342319025 404507192 /nfs/dbraw/zinc/50/71/92/404507192.db2.gz JLXQAFQBMOCUHK-TXEJJXNPSA-N 1 1 308.382 2.290 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1F ZINC000297659250 404581384 /nfs/dbraw/zinc/58/13/84/404581384.db2.gz BOIJFZVMPQECAL-INIZCTEOSA-N 1 1 321.352 2.210 20 5 DEBDMO C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H](C)[N@@H+]1C ZINC000338797241 404553503 /nfs/dbraw/zinc/55/35/03/404553503.db2.gz WZRJQMYLNOGDRT-PHIMTYICSA-N 1 1 301.350 2.067 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000352711336 404566520 /nfs/dbraw/zinc/56/65/20/404566520.db2.gz AYBZOGBKFDFIPB-UHFFFAOYSA-N 1 1 322.409 2.468 20 5 DEBDMO C[NH+](C)Cc1cnc(CNCc2ccc([N+](=O)[O-])cc2)s1 ZINC000352777132 404612046 /nfs/dbraw/zinc/61/20/46/404612046.db2.gz AKRRVXBDCPBPKL-UHFFFAOYSA-N 1 1 306.391 2.403 20 5 DEBDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000342609922 404677935 /nfs/dbraw/zinc/67/79/35/404677935.db2.gz WQSMRQAOUQFYRC-HNNXBMFYSA-N 1 1 322.361 2.462 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000330581082 404692940 /nfs/dbraw/zinc/69/29/40/404692940.db2.gz QJHCSZGSYJLFDB-MNOVXSKESA-N 1 1 309.341 2.289 20 5 DEBDMO CC(=O)c1ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000365588508 404695461 /nfs/dbraw/zinc/69/54/61/404695461.db2.gz MUBDTPSOGJHAFG-UONOGXRCSA-N 1 1 319.361 2.073 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000356877957 404714373 /nfs/dbraw/zinc/71/43/73/404714373.db2.gz MUBSXBUZVFYZES-VXGBXAGGSA-N 1 1 323.418 2.238 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000356877957 404714376 /nfs/dbraw/zinc/71/43/76/404714376.db2.gz MUBSXBUZVFYZES-VXGBXAGGSA-N 1 1 323.418 2.238 20 5 DEBDMO CC(C)C[C@]1(C)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451293955 404943958 /nfs/dbraw/zinc/94/39/58/404943958.db2.gz WYRWJAHZCWHXPC-CABCVRRESA-N 1 1 310.398 2.053 20 5 DEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000354021713 405007166 /nfs/dbraw/zinc/00/71/66/405007166.db2.gz YSJPCBIEVYVZDZ-LLVKDONJSA-N 1 1 316.361 2.242 20 5 DEBDMO O=C1[C@@H]([NH+]2CCC(CF)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451388267 404977355 /nfs/dbraw/zinc/97/73/55/404977355.db2.gz BKRCJXVDNYGMCE-HNNXBMFYSA-N 1 1 321.352 2.382 20 5 DEBDMO Cc1ccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000378491732 404981208 /nfs/dbraw/zinc/98/12/08/404981208.db2.gz GMAZOBVPZOTACS-IUODEOHRSA-N 1 1 318.377 2.461 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](CCCO)C3)nc2c1 ZINC000452113115 405175202 /nfs/dbraw/zinc/17/52/02/405175202.db2.gz BMFHAXBGZGQHOS-NSHDSACASA-N 1 1 304.350 2.066 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](CCCO)C3)nc2c1 ZINC000452113115 405175206 /nfs/dbraw/zinc/17/52/06/405175206.db2.gz BMFHAXBGZGQHOS-NSHDSACASA-N 1 1 304.350 2.066 20 5 DEBDMO CN(C)c1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1C ZINC000419677945 405262435 /nfs/dbraw/zinc/26/24/35/405262435.db2.gz DFMVUYQZSYKGLW-UHFFFAOYSA-N 1 1 323.784 2.338 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000452979062 405268730 /nfs/dbraw/zinc/26/87/30/405268730.db2.gz SWZMWZHBDBXROQ-DOMZBBRYSA-N 1 1 317.389 2.035 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)n1 ZINC000425556678 405302415 /nfs/dbraw/zinc/30/24/15/405302415.db2.gz VGVRWBMDJSOXJZ-OAHLLOKOSA-N 1 1 320.393 2.072 20 5 DEBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425555340 405302475 /nfs/dbraw/zinc/30/24/75/405302475.db2.gz XWHWRCMZGRYCEU-SNVBAGLBSA-N 1 1 307.741 2.356 20 5 DEBDMO COc1cc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000420934849 405409413 /nfs/dbraw/zinc/40/94/13/405409413.db2.gz HKDHHMLOWPKVCL-WDEREUQCSA-N 1 1 312.341 2.193 20 5 DEBDMO COc1cc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000420934849 405409416 /nfs/dbraw/zinc/40/94/16/405409416.db2.gz HKDHHMLOWPKVCL-WDEREUQCSA-N 1 1 312.341 2.193 20 5 DEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000426459448 405361243 /nfs/dbraw/zinc/36/12/43/405361243.db2.gz KKFWPDXNZRTRDF-WFASDCNBSA-N 1 1 324.402 2.243 20 5 DEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000426459448 405361246 /nfs/dbraw/zinc/36/12/46/405361246.db2.gz KKFWPDXNZRTRDF-WFASDCNBSA-N 1 1 324.402 2.243 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421019245 405431880 /nfs/dbraw/zinc/43/18/80/405431880.db2.gz PERDXGUCGZYGBH-CQSZACIVSA-N 1 1 308.378 2.458 20 5 DEBDMO C[C@@H]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000429571381 405438238 /nfs/dbraw/zinc/43/82/38/405438238.db2.gz RBYBMPGXKVQATL-HZSPNIEDSA-N 1 1 308.378 2.455 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000421747745 405626063 /nfs/dbraw/zinc/62/60/63/405626063.db2.gz JEXYBKMDDZWEQB-CYBMUJFWSA-N 1 1 317.389 2.426 20 5 DEBDMO CC[N@H+]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000557537333 405603817 /nfs/dbraw/zinc/60/38/17/405603817.db2.gz CBBYAENYBOKYRO-CHWSQXEVSA-N 1 1 305.378 2.251 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000449649245 405659394 /nfs/dbraw/zinc/65/93/94/405659394.db2.gz VZPCIZZXTOZFQS-HIFRSBDPSA-N 1 1 303.362 2.098 20 5 DEBDMO COc1ccc(C(=O)NCC[N@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000457083169 405688767 /nfs/dbraw/zinc/68/87/67/405688767.db2.gz XOLURDMMVWSTDZ-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO COc1cc(C(=O)NCC[N@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000457076698 405682060 /nfs/dbraw/zinc/68/20/60/405682060.db2.gz OFHDRMNPHPIBLV-UHFFFAOYSA-N 1 1 321.377 2.208 20 5 DEBDMO CC(=O)Nc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000433195162 405895451 /nfs/dbraw/zinc/89/54/51/405895451.db2.gz RMMRAJNXKTYREK-UHFFFAOYSA-N 1 1 300.318 2.238 20 5 DEBDMO CC(C)(O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000531416092 405956138 /nfs/dbraw/zinc/95/61/38/405956138.db2.gz JVHSYXRXVFHJJM-UHFFFAOYSA-N 1 1 308.378 2.347 20 5 DEBDMO C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000601600388 405900667 /nfs/dbraw/zinc/90/06/67/405900667.db2.gz CEMBLZJXSZSQTJ-NSHDSACASA-N 1 1 321.352 2.290 20 5 DEBDMO C[N@H+]1CC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000535731192 406231190 /nfs/dbraw/zinc/23/11/90/406231190.db2.gz GLMQBHYLMBMMGN-ZDUSSCGKSA-N 1 1 303.362 2.038 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000486966186 406194131 /nfs/dbraw/zinc/19/41/31/406194131.db2.gz KBUPNYHYWNNAFC-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1cccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000486966186 406194134 /nfs/dbraw/zinc/19/41/34/406194134.db2.gz KBUPNYHYWNNAFC-QWRGUYRKSA-N 1 1 323.418 2.481 20 5 DEBDMO C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000519853838 406263075 /nfs/dbraw/zinc/26/30/75/406263075.db2.gz LWCIQPXFVILDFW-WCQYABFASA-N 1 1 303.362 2.051 20 5 DEBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@@H]1C ZINC000489461632 406409305 /nfs/dbraw/zinc/40/93/05/406409305.db2.gz WMJPIQMTAKVECV-CZUORRHYSA-N 1 1 308.378 2.263 20 5 DEBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000523355367 406421762 /nfs/dbraw/zinc/42/17/62/406421762.db2.gz IZVCPEGCKWHROI-CYBMUJFWSA-N 1 1 322.409 2.318 20 5 DEBDMO CCC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000131688669 196191186 /nfs/dbraw/zinc/19/11/86/196191186.db2.gz UGSPDJYGYMJLDL-CYBMUJFWSA-N 1 1 321.377 2.424 20 5 DEBDMO CCC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000131688669 196191187 /nfs/dbraw/zinc/19/11/87/196191187.db2.gz UGSPDJYGYMJLDL-CYBMUJFWSA-N 1 1 321.377 2.424 20 5 DEBDMO Cc1cc(NCCC[NH+]2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000290899569 222005814 /nfs/dbraw/zinc/00/58/14/222005814.db2.gz DWNBDDRJNXICPJ-UHFFFAOYSA-N 1 1 310.373 2.092 20 5 DEBDMO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H](C)OC ZINC000291012902 222070389 /nfs/dbraw/zinc/07/03/89/222070389.db2.gz BGDMBRLTJUHGRW-LLVKDONJSA-N 1 1 310.350 2.318 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000291137092 222163382 /nfs/dbraw/zinc/16/33/82/222163382.db2.gz NONYMBOKPJXRIF-LLVKDONJSA-N 1 1 308.382 2.226 20 5 DEBDMO C[N@H+]1CCC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000543436829 421837759 /nfs/dbraw/zinc/83/77/59/421837759.db2.gz MQJAXUAUDSWUPG-LLVKDONJSA-N 1 1 301.350 2.292 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000194211270 424875041 /nfs/dbraw/zinc/87/50/41/424875041.db2.gz IQTPYGVLYYSKRN-UHFFFAOYSA-N 1 1 303.362 2.071 20 5 DEBDMO CC(C)[N@H+]1CCCC[C@@H]1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC000569746117 424924682 /nfs/dbraw/zinc/92/46/82/424924682.db2.gz YPAUIHYEWXZYSI-SNVBAGLBSA-N 1 1 311.411 2.322 20 5 DEBDMO CC(C)Oc1nc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000570107390 424926315 /nfs/dbraw/zinc/92/63/15/424926315.db2.gz UZMHAUJLJSJMCK-RYUDHWBXSA-N 1 1 308.382 2.672 20 5 DEBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000563898393 424900934 /nfs/dbraw/zinc/90/09/34/424900934.db2.gz IDXVCRSWOCHGTH-CYBMUJFWSA-N 1 1 322.409 2.921 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000026156660 267361076 /nfs/dbraw/zinc/36/10/76/267361076.db2.gz FHTFYAHQXRWKQO-BETUJISGSA-N 1 1 321.377 2.341 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000430212975 269126562 /nfs/dbraw/zinc/12/65/62/269126562.db2.gz RSKZAIRNZINESO-LBPRGKRZSA-N 1 1 321.377 2.081 20 5 DEBDMO CCCNC(=O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505605925 269311616 /nfs/dbraw/zinc/31/16/16/269311616.db2.gz DSCAJHGEWXGWMH-UHFFFAOYSA-N 1 1 323.368 2.472 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000331720926 274314942 /nfs/dbraw/zinc/31/49/42/274314942.db2.gz KHNKREZMRZMXKX-TXEJJXNPSA-N 1 1 303.362 2.357 20 5 DEBDMO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCO1 ZINC000170773636 274353556 /nfs/dbraw/zinc/35/35/56/274353556.db2.gz UVXOYSBKFXCKBL-LLVKDONJSA-N 1 1 308.334 2.072 20 5 DEBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCO1 ZINC000170773636 274353557 /nfs/dbraw/zinc/35/35/57/274353557.db2.gz UVXOYSBKFXCKBL-LLVKDONJSA-N 1 1 308.334 2.072 20 5 DEBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347449251 274898731 /nfs/dbraw/zinc/89/87/31/274898731.db2.gz OLYXZUOJEDVOLF-NSHDSACASA-N 1 1 324.344 2.265 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2Cc2ccccc2)n1 ZINC000176202303 275040510 /nfs/dbraw/zinc/04/05/10/275040510.db2.gz CYYWBCXPBSOGQQ-HNNXBMFYSA-N 1 1 300.362 2.498 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000408071563 288013573 /nfs/dbraw/zinc/01/35/73/288013573.db2.gz QFZHVOJXTHSSFU-GHMZBOCLSA-N 1 1 316.361 2.241 20 5 DEBDMO Cc1c(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000361748513 280244080 /nfs/dbraw/zinc/24/40/80/280244080.db2.gz BNWFXUKOTHAJEZ-DOMZBBRYSA-N 1 1 318.377 2.461 20 5 DEBDMO Cc1cccc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000372946275 281228728 /nfs/dbraw/zinc/22/87/28/281228728.db2.gz GHHITQJPTPKKIP-HNNXBMFYSA-N 1 1 318.421 2.119 20 5 DEBDMO Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000154980482 301788139 /nfs/dbraw/zinc/78/81/39/301788139.db2.gz LHVMMDJHYKLYMH-CABCVRRESA-N 1 1 320.437 2.190 20 5 DEBDMO C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000574130760 326125061 /nfs/dbraw/zinc/12/50/61/326125061.db2.gz SBOITJFKANRKKS-STQMWFEESA-N 1 1 317.389 2.465 20 5 DEBDMO C[C@H]1COCC[N@H+]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576456059 326294643 /nfs/dbraw/zinc/29/46/43/326294643.db2.gz UMCJKAGDQSIRIG-AWEZNQCLSA-N 1 1 319.405 2.280 20 5 DEBDMO C[C@H]1COCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576456059 326294646 /nfs/dbraw/zinc/29/46/46/326294646.db2.gz UMCJKAGDQSIRIG-AWEZNQCLSA-N 1 1 319.405 2.280 20 5 DEBDMO CC(C)Oc1nc(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000577191098 326349406 /nfs/dbraw/zinc/34/94/06/326349406.db2.gz AFCPSUMQIJNSAN-NEPJUHHUSA-N 1 1 308.382 2.306 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[NH+]1CCC1 ZINC000447807723 533934008 /nfs/dbraw/zinc/93/40/08/533934008.db2.gz TVGGXEDLYSYYJX-UHFFFAOYSA-N 1 1 313.741 2.152 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000338072908 521642418 /nfs/dbraw/zinc/64/24/18/521642418.db2.gz IWMJASJLAYZLAI-CYBMUJFWSA-N 1 1 305.378 2.365 20 5 DEBDMO COc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000247008793 524036748 /nfs/dbraw/zinc/03/67/48/524036748.db2.gz PXJQVOVMVUXISL-DOMZBBRYSA-N 1 1 324.402 2.310 20 5 DEBDMO COc1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000247008793 524036750 /nfs/dbraw/zinc/03/67/50/524036750.db2.gz PXJQVOVMVUXISL-DOMZBBRYSA-N 1 1 324.402 2.310 20 5 DEBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000411238673 528033801 /nfs/dbraw/zinc/03/38/01/528033801.db2.gz PNAWMQQYUWDANU-UHFFFAOYSA-N 1 1 323.393 2.406 20 5 DEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362067861 535020965 /nfs/dbraw/zinc/02/09/65/535020965.db2.gz QXWLYQDJUCVHGN-JSGCOSHPSA-N 1 1 308.378 2.442 20 5 DEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000355363021 535524797 /nfs/dbraw/zinc/52/47/97/535524797.db2.gz BMQHPVFUNXTMIA-LBPRGKRZSA-N 1 1 321.377 2.065 20 5 DEBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CC2 ZINC000355347871 536352826 /nfs/dbraw/zinc/35/28/26/536352826.db2.gz NNADYYDUGZCYLS-UHFFFAOYSA-N 1 1 321.352 2.434 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247931352 536380277 /nfs/dbraw/zinc/38/02/77/536380277.db2.gz CBVZQVNQOUFZRP-UKRRQHHQSA-N 1 1 303.362 2.151 20 5 DEBDMO CO[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374679173 536707864 /nfs/dbraw/zinc/70/78/64/536707864.db2.gz MRBOBDHRTMMGFQ-HNNXBMFYSA-N 1 1 321.377 2.424 20 5 DEBDMO Cc1nn(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC001327697289 1148626240 /nfs/dbraw/zinc/62/62/40/1148626240.db2.gz GNHLKEVOBGPEKC-LRDDRELGSA-N 1 1 316.361 2.179 20 5 DEBDMO C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])cnn2C)C[N@H+]1Cc1ccccc1 ZINC000892899011 625697154 /nfs/dbraw/zinc/69/71/54/625697154.db2.gz IDDREEBTFKVYBE-TZMCWYRMSA-N 1 1 315.377 2.403 20 5 DEBDMO COc1c(O)ccc(CN(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000891935098 624670603 /nfs/dbraw/zinc/67/06/03/624670603.db2.gz NYZHBKGIIFMAJF-UHFFFAOYSA-N 1 1 323.393 2.083 20 5 DEBDMO C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000892239031 624862470 /nfs/dbraw/zinc/86/24/70/624862470.db2.gz GMIWPXNFSMTGPB-CHWSQXEVSA-N 1 1 320.393 2.092 20 5 DEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000161290031 624891755 /nfs/dbraw/zinc/89/17/55/624891755.db2.gz WECXYXMKQOUEQZ-SNVBAGLBSA-N 1 1 320.324 2.305 20 5 DEBDMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC000934560289 624920911 /nfs/dbraw/zinc/92/09/11/624920911.db2.gz JTBWROLOKCGAJY-LLVKDONJSA-N 1 1 318.381 2.176 20 5 DEBDMO C[N@H+]1CC[C@@H](CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC000892320064 625092307 /nfs/dbraw/zinc/09/23/07/625092307.db2.gz SLQHLPXCXFUMBH-JTQLQIEISA-N 1 1 304.325 2.068 20 5 DEBDMO COc1c(O)ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000892609246 625191579 /nfs/dbraw/zinc/19/15/79/625191579.db2.gz YYKYKWJKFDJDBV-STQMWFEESA-N 1 1 321.377 2.025 20 5 DEBDMO C[NH+]1C[C@@]2(C)CN(Cc3cc(O)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000931313381 625733833 /nfs/dbraw/zinc/73/38/33/625733833.db2.gz BEEFTRHMQYZAQJ-HOTGVXAUSA-N 1 1 305.378 2.074 20 5 DEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000836633493 650113954 /nfs/dbraw/zinc/11/39/54/650113954.db2.gz MJXDRCJIDXVGAO-SNVBAGLBSA-N 1 1 311.769 2.381 20 5 DEBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000921807724 635350798 /nfs/dbraw/zinc/35/07/98/635350798.db2.gz SJWPECPPZDWMME-GVXVVHGQSA-N 1 1 306.366 2.048 20 5 DEBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928438907 637236314 /nfs/dbraw/zinc/23/63/14/637236314.db2.gz NDNFNNVMZZMDIV-RNQRCEHPSA-N 1 1 303.362 2.207 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](CCO)CC2)c1[N+](=O)[O-] ZINC000894988898 637362938 /nfs/dbraw/zinc/36/29/38/637362938.db2.gz YPZHCYFSEGDDPM-GFCCVEGCSA-N 1 1 324.377 2.294 20 5 DEBDMO C[N@H+]1CC[C@H]2CN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000895022049 637385314 /nfs/dbraw/zinc/38/53/14/637385314.db2.gz JVOWSNQATQJELS-HZMBPMFUSA-N 1 1 306.322 2.033 20 5 DEBDMO C[C@H](NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000895064721 637466161 /nfs/dbraw/zinc/46/61/61/637466161.db2.gz BRQFWSYKJGUENB-CORIIIEPSA-N 1 1 318.377 2.001 20 5 DEBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000928553504 637668465 /nfs/dbraw/zinc/66/84/65/637668465.db2.gz FUSZWWXILXTVOI-SECBINFHSA-N 1 1 317.267 2.048 20 5 DEBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000928553504 637668469 /nfs/dbraw/zinc/66/84/69/637668469.db2.gz FUSZWWXILXTVOI-SECBINFHSA-N 1 1 317.267 2.048 20 5 DEBDMO CCC[N@H+](C)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000103264371 637714234 /nfs/dbraw/zinc/71/42/34/637714234.db2.gz ALJFMDBQHZDPIB-UHFFFAOYSA-N 1 1 304.350 2.155 20 5 DEBDMO CCC[N@@H+](C)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000103264371 637714238 /nfs/dbraw/zinc/71/42/38/637714238.db2.gz ALJFMDBQHZDPIB-UHFFFAOYSA-N 1 1 304.350 2.155 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2C2(O)CC2)cc1 ZINC000839141984 637803787 /nfs/dbraw/zinc/80/37/87/637803787.db2.gz DEALXDFVNPWOAT-HUUCEWRRSA-N 1 1 306.362 2.008 20 5 DEBDMO C[C@@H](Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895244973 637840746 /nfs/dbraw/zinc/84/07/46/637840746.db2.gz BNORTICFXOVUIV-QMTHXVAHSA-N 1 1 312.801 2.294 20 5 DEBDMO Cc1cnc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c([N+](=O)[O-])c1 ZINC000895565723 638091332 /nfs/dbraw/zinc/09/13/32/638091332.db2.gz CSJVICKKBIVADY-AAEUAGOBSA-N 1 1 308.407 2.290 20 5 DEBDMO Nc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000895566928 638093422 /nfs/dbraw/zinc/09/34/22/638093422.db2.gz CTEMXYOHBZVQEZ-SMDDNHRTSA-N 1 1 308.407 2.169 20 5 DEBDMO COC(=O)/C=C\c1ccc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895738169 638178347 /nfs/dbraw/zinc/17/83/47/638178347.db2.gz GWKHKKPNXGTULD-PDCNKGEESA-N 1 1 319.361 2.286 20 5 DEBDMO Cc1ccc(CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000896220787 638417468 /nfs/dbraw/zinc/41/74/68/638417468.db2.gz WIYHXLISHIRESV-CQSZACIVSA-N 1 1 320.393 2.139 20 5 DEBDMO Cc1nn(C[N@H+]2CCS[C@H](C)[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749953943 638697458 /nfs/dbraw/zinc/69/74/58/638697458.db2.gz GXMMINQYUBMFGD-WDEREUQCSA-N 1 1 321.406 2.431 20 5 DEBDMO Cc1nn(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749953943 638697461 /nfs/dbraw/zinc/69/74/61/638697461.db2.gz GXMMINQYUBMFGD-WDEREUQCSA-N 1 1 321.406 2.431 20 5 DEBDMO C[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@H]1C ZINC000751924464 639135870 /nfs/dbraw/zinc/13/58/70/639135870.db2.gz CDVDWTUGBQBGDW-TXEJJXNPSA-N 1 1 301.350 2.399 20 5 DEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000755255368 639534625 /nfs/dbraw/zinc/53/46/25/639534625.db2.gz BGSNNRFHDRFLQC-WONIAPNHSA-N 1 1 303.362 2.209 20 5 DEBDMO Cc1nn(C[N@H+](C)[C@@H]2CCSC2)c2ncc([N+](=O)[O-])cc12 ZINC000755794871 639590010 /nfs/dbraw/zinc/59/00/10/639590010.db2.gz RTELSRYMYBNIPM-SNVBAGLBSA-N 1 1 307.379 2.043 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000757796210 639882620 /nfs/dbraw/zinc/88/26/20/639882620.db2.gz RYICNTLPARAMIX-CMPLNLGQSA-N 1 1 301.350 2.137 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+](C)C2CC2)c1C ZINC000897418102 640076188 /nfs/dbraw/zinc/07/61/88/640076188.db2.gz CLZCPVLPJPYJBO-UHFFFAOYSA-N 1 1 305.378 2.378 20 5 DEBDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763875634 640580080 /nfs/dbraw/zinc/58/00/80/640580080.db2.gz PGYDDZVPZNMUHU-LBPRGKRZSA-N 1 1 316.785 2.466 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1C ZINC000765633012 640803143 /nfs/dbraw/zinc/80/31/43/640803143.db2.gz GRPWFDHROHBFOR-NEPJUHHUSA-N 1 1 303.366 2.161 20 5 DEBDMO CC[N@@H+](CCC(=O)NC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000897710355 640908870 /nfs/dbraw/zinc/90/88/70/640908870.db2.gz SVYBZSFVXWGRMM-RAXLEYEMSA-N 1 1 305.378 2.456 20 5 DEBDMO CC[N@@H+](CCC(=O)NC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000897710354 640908997 /nfs/dbraw/zinc/90/89/97/640908997.db2.gz SVYBZSFVXWGRMM-JLHYYAGUSA-N 1 1 305.378 2.456 20 5 DEBDMO CSC[C@@H]1CCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000767775648 641020438 /nfs/dbraw/zinc/02/04/38/641020438.db2.gz OMKVMWDPQDXDNI-NSHDSACASA-N 1 1 321.406 2.433 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000768526932 641092221 /nfs/dbraw/zinc/09/22/21/641092221.db2.gz RZCXVDXSBCZGDA-WDEREUQCSA-N 1 1 318.377 2.008 20 5 DEBDMO Cc1[nH+]ccn1CCCCOC(=O)c1ccc([N+](=O)[O-])cc1N ZINC000769098180 641174767 /nfs/dbraw/zinc/17/47/67/641174767.db2.gz WITVJDWMVHHINF-UHFFFAOYSA-N 1 1 318.333 2.319 20 5 DEBDMO C[NH+](C)C1(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000899218172 641995514 /nfs/dbraw/zinc/99/55/14/641995514.db2.gz AWTFZPQTCVUXOD-UHFFFAOYSA-N 1 1 300.318 2.176 20 5 DEBDMO COCC[N@H+](Cc1ccco1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579784 642187330 /nfs/dbraw/zinc/18/73/30/642187330.db2.gz QIPJQMOWKFWOLT-INIZCTEOSA-N 1 1 320.345 2.370 20 5 DEBDMO CC(C)OC1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000899901335 642206362 /nfs/dbraw/zinc/20/63/62/642206362.db2.gz IWWKHGLLRWOFOA-UHFFFAOYSA-N 1 1 307.350 2.033 20 5 DEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900331691 642334084 /nfs/dbraw/zinc/33/40/84/642334084.db2.gz MCPHLJCXZFXSKD-ZBFHGGJFSA-N 1 1 317.389 2.270 20 5 DEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900403009 642358009 /nfs/dbraw/zinc/35/80/09/642358009.db2.gz NOJNOFHKJLYBRV-DZGCQCFKSA-N 1 1 303.362 2.228 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000902826537 643153368 /nfs/dbraw/zinc/15/33/68/643153368.db2.gz FGHPYCSSMFDMNF-CMPLNLGQSA-N 1 1 322.340 2.434 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@]4(C3)CCCOC4)c2c1 ZINC000789546587 643746500 /nfs/dbraw/zinc/74/65/00/643746500.db2.gz QYUURUDFIOPEJN-INIZCTEOSA-N 1 1 316.361 2.405 20 5 DEBDMO C[C@]12CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]1C2(Cl)Cl ZINC000792896005 644166582 /nfs/dbraw/zinc/16/65/82/644166582.db2.gz CELVSAUCCZXWNC-MNOVXSKESA-N 1 1 319.192 2.307 20 5 DEBDMO CSCC[C@H]([NH3+])c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843170969 650914340 /nfs/dbraw/zinc/91/43/40/650914340.db2.gz OBSQCTYTEAFMCJ-JTQLQIEISA-N 1 1 308.363 2.322 20 5 DEBDMO COCCCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801526457 645408717 /nfs/dbraw/zinc/40/87/17/645408717.db2.gz QAUSDVFQSQWEMH-UHFFFAOYSA-N 1 1 300.330 2.219 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000843823352 651036199 /nfs/dbraw/zinc/03/61/99/651036199.db2.gz WLCWXYMUIFHSNQ-TVQRCGJNSA-N 1 1 321.352 2.255 20 5 DEBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000840068429 645859391 /nfs/dbraw/zinc/85/93/91/645859391.db2.gz XXUATSLBELPTJQ-ZBFHGGJFSA-N 1 1 317.389 2.285 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000840068429 645859394 /nfs/dbraw/zinc/85/93/94/645859394.db2.gz XXUATSLBELPTJQ-ZBFHGGJFSA-N 1 1 317.389 2.285 20 5 DEBDMO C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000912030267 645910702 /nfs/dbraw/zinc/91/07/02/645910702.db2.gz CYWKIFRGSBTSQU-HNNXBMFYSA-N 1 1 319.405 2.326 20 5 DEBDMO Cc1nn(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000840130053 646038186 /nfs/dbraw/zinc/03/81/86/646038186.db2.gz ISUGVHNYNWFALX-KGLIPLIRSA-N 1 1 320.393 2.338 20 5 DEBDMO Cc1cc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000913295227 646320685 /nfs/dbraw/zinc/32/06/85/646320685.db2.gz RRDQZMVAENEWNC-CALCHBBNSA-N 1 1 317.389 2.317 20 5 DEBDMO C[N@H+]1CCC[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384681 646339029 /nfs/dbraw/zinc/33/90/29/646339029.db2.gz BPIAJCOKJOMBGX-JTQLQIEISA-N 1 1 315.732 2.098 20 5 DEBDMO C[N@H+](CC1CCCC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000058207538 646540776 /nfs/dbraw/zinc/54/07/76/646540776.db2.gz YKSMKYNXJXBZNI-UHFFFAOYSA-N 1 1 317.345 2.270 20 5 DEBDMO C[N@@H+](CC1CCCC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000058207538 646540777 /nfs/dbraw/zinc/54/07/77/646540777.db2.gz YKSMKYNXJXBZNI-UHFFFAOYSA-N 1 1 317.345 2.270 20 5 DEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000814117617 646852372 /nfs/dbraw/zinc/85/23/72/646852372.db2.gz WZRRRDOGZVGVJB-ZDUSSCGKSA-N 1 1 319.405 2.473 20 5 DEBDMO O=[N+]([O-])c1cccc(Cl)c1N1CC[NH+](CCCCO)CC1 ZINC000814363766 646875534 /nfs/dbraw/zinc/87/55/34/646875534.db2.gz WLCFVQYMKBKFKU-UHFFFAOYSA-N 1 1 313.785 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OSLRBZOCVUSBAQ-WFASDCNBSA-N 1 1 306.362 2.272 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCOCC3)CC2)c(F)c1 ZINC000853688480 652589711 /nfs/dbraw/zinc/58/97/11/652589711.db2.gz OZDINXVQAIVJDN-UHFFFAOYSA-N 1 1 323.368 2.425 20 5 DEBDMO Cc1[nH+]ccn1CCCOc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000853740506 652596711 /nfs/dbraw/zinc/59/67/11/652596711.db2.gz XXSZJJNCQXFDMY-UHFFFAOYSA-N 1 1 306.278 2.477 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000358908676 685366467 /nfs/dbraw/zinc/36/64/67/685366467.db2.gz TUHMTYNIPNDDJP-LBPRGKRZSA-N 1 1 318.381 2.237 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000928450999 693783774 /nfs/dbraw/zinc/78/37/74/693783774.db2.gz JPHAIFLDUZUQRL-BXKDBHETSA-N 1 1 309.391 2.139 20 5 DEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928450956 693784046 /nfs/dbraw/zinc/78/40/46/693784046.db2.gz JGHGDZYACIYQJM-SUNKGSAMSA-N 1 1 323.418 2.284 20 5 DEBDMO COC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000076144623 683940217 /nfs/dbraw/zinc/94/02/17/683940217.db2.gz AZYFGQGZHQYJEC-UHFFFAOYSA-N 1 1 322.361 2.139 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H](C)[N@H+]1C ZINC000132216720 684206563 /nfs/dbraw/zinc/20/65/63/684206563.db2.gz HPXBZADUMHFQFT-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H](C)[N@@H+]1C ZINC000132216720 684206567 /nfs/dbraw/zinc/20/65/67/684206567.db2.gz HPXBZADUMHFQFT-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000861338843 686046745 /nfs/dbraw/zinc/04/67/45/686046745.db2.gz GMTUUXDTZSHUEA-BBRMVZONSA-N 1 1 322.361 2.169 20 5 DEBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]([NH3+])CCC(C)C)n2)n1C ZINC000863672703 686547854 /nfs/dbraw/zinc/54/78/54/686547854.db2.gz JKGSKBIYBZPDNC-VIFPVBQESA-N 1 1 308.342 2.123 20 5 DEBDMO Cc1[nH+]ccn1CCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865555257 687258230 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309.341 2.395 20 5 DEBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)C1CCCC1 ZINC001031509917 688933477 /nfs/dbraw/zinc/93/34/77/688933477.db2.gz HHAMHMLYWPYLJB-UHFFFAOYSA-N 1 1 317.389 2.333 20 5 DEBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)C1=CCCC1 ZINC001031611013 688963283 /nfs/dbraw/zinc/96/32/83/688963283.db2.gz DQMFXXWVRQGZDG-UHFFFAOYSA-N 1 1 315.373 2.253 20 5 DEBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1O ZINC000872255806 688965296 /nfs/dbraw/zinc/96/52/96/688965296.db2.gz GBIRSNKUSXJSJL-XHSDSOJGSA-N 1 1 320.389 2.455 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])[C@H]1CCNC(=O)OC(C)(C)C ZINC000930849121 694254752 /nfs/dbraw/zinc/25/47/52/694254752.db2.gz JVALPSOVRKHJGC-OLZOCXBDSA-N 1 1 315.414 2.278 20 5 DEBDMO CC(=O)C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000872799003 689095206 /nfs/dbraw/zinc/09/52/06/689095206.db2.gz WEGBCFIMAXBQLH-UHFFFAOYSA-N 1 1 302.334 2.203 20 5 DEBDMO CN(CCCCCC[NH3+])Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000873231296 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Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCc1ccccc1F ZINC000878091568 690306797 /nfs/dbraw/zinc/30/67/97/690306797.db2.gz FHHPSHNHNBLCMH-UHFFFAOYSA-N 1 1 306.341 2.413 20 5 DEBDMO O=[N+]([O-])CC[N@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000931338811 694372227 /nfs/dbraw/zinc/37/22/27/694372227.db2.gz NJUSUDKEJPNNNE-QGZVFWFLSA-N 1 1 300.358 2.499 20 5 DEBDMO O=[N+]([O-])CC[N@@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000931338811 694372230 /nfs/dbraw/zinc/37/22/30/694372230.db2.gz NJUSUDKEJPNNNE-QGZVFWFLSA-N 1 1 300.358 2.499 20 5 DEBDMO COC(=O)CC[C@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000880042641 690789679 /nfs/dbraw/zinc/78/96/79/690789679.db2.gz FPBJECBJNWKVRU-LLVKDONJSA-N 1 1 311.338 2.056 20 5 DEBDMO COC(=O)CC[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000880042641 690789682 /nfs/dbraw/zinc/78/96/82/690789682.db2.gz FPBJECBJNWKVRU-LLVKDONJSA-N 1 1 311.338 2.056 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000880237163 690847791 /nfs/dbraw/zinc/84/77/91/690847791.db2.gz RPXMGGSZVOTCOJ-STQMWFEESA-N 1 1 312.341 2.016 20 5 DEBDMO CCOc1cc(C[N@@H+](C)[C@H]2CCOC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000880437519 690898636 /nfs/dbraw/zinc/89/86/36/690898636.db2.gz MCRMFNNBXLCQNL-BBRMVZONSA-N 1 1 324.377 2.229 20 5 DEBDMO Cc1ccc(Cn2cc(C[NH+]3CCCC3)nn2)cc1[N+](=O)[O-] ZINC000881213148 691050638 /nfs/dbraw/zinc/05/06/38/691050638.db2.gz XAQNANHPTQCSSX-UHFFFAOYSA-N 1 1 301.350 2.139 20 5 DEBDMO C[C@H]1C[N@@H+](CCCNc2ccnc(F)c2[N+](=O)[O-])CCCO1 ZINC000882265325 691248630 /nfs/dbraw/zinc/24/86/30/691248630.db2.gz RLMHOEVYUKUSPB-NSHDSACASA-N 1 1 312.345 2.042 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000882493551 691296908 /nfs/dbraw/zinc/29/69/08/691296908.db2.gz JCOBTEZXRMQCTB-ZDUSSCGKSA-N 1 1 321.377 2.206 20 5 DEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886028824 691987121 /nfs/dbraw/zinc/98/71/21/691987121.db2.gz YDBCZDLRZSEVMO-CQSZACIVSA-N 1 1 304.394 2.154 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000886188375 692020398 /nfs/dbraw/zinc/02/03/98/692020398.db2.gz QSKLUDJZVNNHJS-KRWDZBQOSA-N 1 1 313.357 2.304 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000886202915 692023096 /nfs/dbraw/zinc/02/30/96/692023096.db2.gz HVKBCKSMKJOBKM-LBPRGKRZSA-N 1 1 319.283 2.269 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000886202915 692023100 /nfs/dbraw/zinc/02/31/00/692023100.db2.gz HVKBCKSMKJOBKM-LBPRGKRZSA-N 1 1 319.283 2.269 20 5 DEBDMO Cn1cc([C@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000886220506 692027570 /nfs/dbraw/zinc/02/75/70/692027570.db2.gz JJDHSJPJLKGYIU-CQSZACIVSA-N 1 1 315.377 2.349 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886822507 692201618 /nfs/dbraw/zinc/20/16/18/692201618.db2.gz QZEWEGMHDGGKLF-NUEKZKHPSA-N 1 1 306.362 2.129 20 5 DEBDMO C[N@H+](CCCF)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000887138828 692290445 /nfs/dbraw/zinc/29/04/45/692290445.db2.gz NNTDXVACOCOVID-UHFFFAOYSA-N 1 1 303.721 2.478 20 5 DEBDMO C[N@@H+](CCCF)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000887138828 692290449 /nfs/dbraw/zinc/29/04/49/692290449.db2.gz NNTDXVACOCOVID-UHFFFAOYSA-N 1 1 303.721 2.478 20 5 DEBDMO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894784388 692987800 /nfs/dbraw/zinc/98/78/00/692987800.db2.gz NDIVREDPWHJLQQ-LBPRGKRZSA-N 1 1 310.350 2.310 20 5 DEBDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894784388 692987805 /nfs/dbraw/zinc/98/78/05/692987805.db2.gz NDIVREDPWHJLQQ-LBPRGKRZSA-N 1 1 310.350 2.310 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[N@H+]4CCC[C@H]4CO3)n2)s1 ZINC000924008991 693081459 /nfs/dbraw/zinc/08/14/59/693081459.db2.gz ZUQQCGKXPMIFMX-DTWKUNHWSA-N 1 1 322.346 2.242 20 5 DEBDMO CCO[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CN(C)C ZINC000926961643 693536135 /nfs/dbraw/zinc/53/61/35/693536135.db2.gz PQIUZOWEMDYFNC-IUODEOHRSA-N 1 1 307.394 2.138 20 5 DEBDMO O=[N+]([O-])c1cnc(NCC[N@H+]2CCCOCC2)c2ccccc21 ZINC001333941526 1150136660 /nfs/dbraw/zinc/13/66/60/1150136660.db2.gz VIMRHERJZMNMKF-UHFFFAOYSA-N 1 1 316.361 2.277 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC001348565747 1151170573 /nfs/dbraw/zinc/17/05/73/1151170573.db2.gz SIDCPYQWRZCIIC-ZMLRMANQSA-N 1 1 301.350 2.223 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001347603281 1151082802 /nfs/dbraw/zinc/08/28/02/1151082802.db2.gz RQCTYPZUSNMRBT-BIMULSAOSA-N 1 1 323.780 2.318 20 5 DEBDMO C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@@H](C)C[N@H+]1C ZINC001164631795 719249951 /nfs/dbraw/zinc/24/99/51/719249951.db2.gz GDYIVAJNLUKVLF-MNOVXSKESA-N 1 1 301.350 2.067 20 5 DEBDMO CCOC(=O)[C@H](CC(C)(C)F)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168985631 784986015 /nfs/dbraw/zinc/98/60/15/784986015.db2.gz UJJXZVSHCDOHPD-UTUOFQBUSA-N 1 1 304.362 2.091 20 5 DEBDMO N[C@H]([C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)C(F)(F)F ZINC001169003031 784998837 /nfs/dbraw/zinc/99/88/37/784998837.db2.gz MMNJHJHAAWGBSG-WISYIIOYSA-N 1 1 309.332 2.033 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)C1 ZINC001169035769 785012081 /nfs/dbraw/zinc/01/20/81/785012081.db2.gz LQXUEQGTXCPITR-OWSLCNJRSA-N 1 1 315.417 2.391 20 5 DEBDMO CN(CC[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1ccccc1 ZINC001169046732 785020657 /nfs/dbraw/zinc/02/06/57/785020657.db2.gz MJBUTWIJQXTCHN-IAGOWNOFSA-N 1 1 305.422 2.496 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2[C@@H](C)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170336172 786914002 /nfs/dbraw/zinc/91/40/02/786914002.db2.gz VGDAKFPIZMMXAD-OBJOEFQTSA-N 1 1 308.378 2.380 20 5 DEBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2cncnc2)c([N+](=O)[O-])c1 ZINC001170355445 786917186 /nfs/dbraw/zinc/91/71/86/786917186.db2.gz FNTFCCICUFPPIO-LBPRGKRZSA-N 1 1 316.361 2.456 20 5 DEBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001170344153 786928734 /nfs/dbraw/zinc/92/87/34/786928734.db2.gz GTMPGRGYTYAHGR-UHFFFAOYSA-N 1 1 312.329 2.449 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170348508 786931252 /nfs/dbraw/zinc/93/12/52/786931252.db2.gz XVAUXWHSDQVLFF-MLGOLLRUSA-N 1 1 308.378 2.381 20 5 DEBDMO CC(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001072486072 790156731 /nfs/dbraw/zinc/15/67/31/790156731.db2.gz SYASUWIULILCDT-UHFFFAOYSA-N 1 1 317.389 2.285 20 5 DEBDMO CC(=O)OC1C[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172917604 793531324 /nfs/dbraw/zinc/53/13/24/793531324.db2.gz VYRVAUVNCZTLIZ-CQSZACIVSA-N 1 1 304.346 2.090 20 5 DEBDMO COC(C[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)OC ZINC001172919533 793532172 /nfs/dbraw/zinc/53/21/72/793532172.db2.gz GKXCGJQUAQLUCC-AWEZNQCLSA-N 1 1 308.378 2.393 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCN3CC[C@H]3C1)CC2 ZINC001172912228 793544402 /nfs/dbraw/zinc/54/44/02/793544402.db2.gz JWZPMHZXFVSTKR-WBVHZDCISA-N 1 1 301.390 2.232 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[N@@H+]3CC[C@H]3C1)CC2 ZINC001172912228 793544406 /nfs/dbraw/zinc/54/44/06/793544406.db2.gz JWZPMHZXFVSTKR-WBVHZDCISA-N 1 1 301.390 2.232 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[N@H+]3CC[C@H]3C1)CC2 ZINC001172912228 793544411 /nfs/dbraw/zinc/54/44/11/793544411.db2.gz JWZPMHZXFVSTKR-WBVHZDCISA-N 1 1 301.390 2.232 20 5 DEBDMO CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225673 793642996 /nfs/dbraw/zinc/64/29/96/793642996.db2.gz FHOVOOFKUKFENB-WFASDCNBSA-N 1 1 305.378 2.126 20 5 DEBDMO CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232856 793645815 /nfs/dbraw/zinc/64/58/15/793645815.db2.gz UEBRRHUWUCFXRF-BLLLJJGKSA-N 1 1 305.378 2.078 20 5 DEBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001173235882 793647406 /nfs/dbraw/zinc/64/74/06/793647406.db2.gz ZYNOJDXHJFWQFM-LRDDRELGSA-N 1 1 319.361 2.100 20 5 DEBDMO Cc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(N2CCOCC2)[nH+]1 ZINC001174477792 793997513 /nfs/dbraw/zinc/99/75/13/793997513.db2.gz ZFWVSTMJTYJRAR-UHFFFAOYSA-N 1 1 315.333 2.273 20 5 DEBDMO CC[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001175248910 794164921 /nfs/dbraw/zinc/16/49/21/794164921.db2.gz FFFMQQBYNKQYCR-CQSZACIVSA-N 1 1 309.322 2.240 20 5 DEBDMO CC[C@@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001175248910 794164923 /nfs/dbraw/zinc/16/49/23/794164923.db2.gz FFFMQQBYNKQYCR-CQSZACIVSA-N 1 1 309.322 2.240 20 5 DEBDMO O=C(NCC1([NH2+]CC2CCCC2)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001115530646 794811545 /nfs/dbraw/zinc/81/15/45/794811545.db2.gz JCWCRWDPXPGZAW-HUUCEWRRSA-N 1 1 323.437 2.251 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178860633 795022220 /nfs/dbraw/zinc/02/22/20/795022220.db2.gz GYPDGAXZJOCBKV-AWEZNQCLSA-N 1 1 321.377 2.064 20 5 DEBDMO CC1(C)CCC[N@@H+]1CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120590162 795493783 /nfs/dbraw/zinc/49/37/83/795493783.db2.gz MHDOVPQNYGCOIO-OAHLLOKOSA-N 1 1 307.394 2.092 20 5 DEBDMO CC1(C)CCC[N@H+]1CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120590162 795493788 /nfs/dbraw/zinc/49/37/88/795493788.db2.gz MHDOVPQNYGCOIO-OAHLLOKOSA-N 1 1 307.394 2.092 20 5 DEBDMO C[C@@H](NC(=O)[C@H]1[NH2+]CCc2occc21)c1ccc([N+](=O)[O-])cc1 ZINC001122252443 795740259 /nfs/dbraw/zinc/74/02/59/795740259.db2.gz RPSQNLYVNBKKCW-BMIGLBTASA-N 1 1 315.329 2.252 20 5 DEBDMO Cc1ccc(C[NH2+]Cc2cc(=O)n3ccccc3n2)cc1[N+](=O)[O-] ZINC001203005829 796483612 /nfs/dbraw/zinc/48/36/12/796483612.db2.gz IXEXHPQRLXNIAV-UHFFFAOYSA-N 1 1 324.340 2.201 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001154615262 797574779 /nfs/dbraw/zinc/57/47/79/797574779.db2.gz CPHRMVWOUVUIAY-UHFFFAOYSA-N 1 1 322.752 2.437 20 5 DEBDMO Cc1ccc(NCCNC(=O)c2cccc([N+](=O)[O-])c2)[nH+]c1 ZINC001156463853 798006243 /nfs/dbraw/zinc/00/62/43/798006243.db2.gz BYYZPZPKOLSNHY-UHFFFAOYSA-N 1 1 300.318 2.140 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001156828106 798089568 /nfs/dbraw/zinc/08/95/68/798089568.db2.gz JTFWNMUIURVNPU-CYBMUJFWSA-N 1 1 309.341 2.194 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001156828107 798089951 /nfs/dbraw/zinc/08/99/51/798089951.db2.gz JTFWNMUIURVNPU-ZDUSSCGKSA-N 1 1 309.341 2.194 20 5 DEBDMO C[NH+](C)C=Cc1cc(NCc2ccc(=O)[nH]c2)ncc1[N+](=O)[O-] ZINC001157515878 798221491 /nfs/dbraw/zinc/22/14/91/798221491.db2.gz CQPOUEDOOUNACP-AATRIKPKSA-N 1 1 315.333 2.235 20 5 DEBDMO CCC[N@@H+]1C[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001157687851 798256973 /nfs/dbraw/zinc/25/69/73/798256973.db2.gz AWOHDIOTSOLOGM-PHIMTYICSA-N 1 1 310.785 2.421 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001198166001 798291288 /nfs/dbraw/zinc/29/12/88/798291288.db2.gz XKIMXBBJNMCIOF-GFCCVEGCSA-N 1 1 314.345 2.383 20 5 DEBDMO C[NH+](C)/C=C/c1cc(NC2COC(C)(C)OC2)ncc1[N+](=O)[O-] ZINC001158066933 798336015 /nfs/dbraw/zinc/33/60/15/798336015.db2.gz MWCQLTPZSVOBEB-AATRIKPKSA-N 1 1 322.365 2.086 20 5 DEBDMO CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160106745 798648570 /nfs/dbraw/zinc/64/85/70/798648570.db2.gz ARIKYPZQVLMDNP-HZPDHXFCSA-N 1 1 323.437 2.226 20 5 DEBDMO CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160106745 798648571 /nfs/dbraw/zinc/64/85/71/798648571.db2.gz ARIKYPZQVLMDNP-HZPDHXFCSA-N 1 1 323.437 2.226 20 5 DEBDMO CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160106745 798648572 /nfs/dbraw/zinc/64/85/72/798648572.db2.gz ARIKYPZQVLMDNP-HZPDHXFCSA-N 1 1 323.437 2.226 20 5 DEBDMO Cc1cccc(N2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)[nH+]1 ZINC001163659090 799396931 /nfs/dbraw/zinc/39/69/31/799396931.db2.gz ACQKPGZFVGEIIX-UHFFFAOYSA-N 1 1 313.361 2.328 20 5 DEBDMO CC[N@H+]1CCCN(c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001163774055 799428751 /nfs/dbraw/zinc/42/87/51/799428751.db2.gz HVZKAJLRSWTRPX-UHFFFAOYSA-N 1 1 301.350 2.070 20 5 DEBDMO CCOC(=O)c1ccc(NCCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC001163928754 799458552 /nfs/dbraw/zinc/45/85/52/799458552.db2.gz LBXYGTUMFRRSHE-UHFFFAOYSA-N 1 1 318.333 2.389 20 5 DEBDMO CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494801 799609875 /nfs/dbraw/zinc/60/98/75/799609875.db2.gz SROQBEDKKZEIIH-ZYDHHDLOSA-N 1 1 323.437 2.274 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933213231 800042309 /nfs/dbraw/zinc/04/23/09/800042309.db2.gz LCYNFKNYWZOWSM-CQSZACIVSA-N 1 1 306.362 2.475 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933213231 800042318 /nfs/dbraw/zinc/04/23/18/800042318.db2.gz LCYNFKNYWZOWSM-CQSZACIVSA-N 1 1 306.362 2.475 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934119292 800266547 /nfs/dbraw/zinc/26/65/47/800266547.db2.gz OKPHEROXCHHBOS-LERXQTSPSA-N 1 1 307.350 2.031 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000934119292 800266551 /nfs/dbraw/zinc/26/65/51/800266551.db2.gz OKPHEROXCHHBOS-LERXQTSPSA-N 1 1 307.350 2.031 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934831530 800469626 /nfs/dbraw/zinc/46/96/26/800469626.db2.gz KBVSQXQWVZVCBG-GJZGRUSLSA-N 1 1 322.409 2.238 20 5 DEBDMO CN1CCN(c2cc[nH+]cc2Nc2ccccc2[N+](=O)[O-])CC1 ZINC001206157835 800481233 /nfs/dbraw/zinc/48/12/33/800481233.db2.gz FPSJDTCQIWXKFD-UHFFFAOYSA-N 1 1 313.361 2.485 20 5 DEBDMO CC[N@H+]1CCC[C@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229366713 801265082 /nfs/dbraw/zinc/26/50/82/801265082.db2.gz CHWUOYVYWDYUJG-JTQLQIEISA-N 1 1 318.333 2.107 20 5 DEBDMO C[N@H+]1CCC[C@H](Oc2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001229399193 801271115 /nfs/dbraw/zinc/27/11/15/801271115.db2.gz HKGJRMBDHXCXLC-LBPRGKRZSA-N 1 1 302.334 2.401 20 5 DEBDMO COC(=O)C1C[NH+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218338 801819329 /nfs/dbraw/zinc/81/93/29/801819329.db2.gz GHTCWBPRTVBQLW-UHFFFAOYSA-N 1 1 307.353 2.388 20 5 DEBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219951 801820247 /nfs/dbraw/zinc/82/02/47/801820247.db2.gz YMXAGYZDHFQMEM-OAHLLOKOSA-N 1 1 320.396 2.480 20 5 DEBDMO C[C@@H]1CC[NH2+]CC[C@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001218023163 802132880 /nfs/dbraw/zinc/13/28/80/802132880.db2.gz GXDKSGDNPDRVIL-NOZJJQNGSA-N 1 1 318.333 2.011 20 5 DEBDMO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](CC)C2)c1 ZINC001234408795 802371652 /nfs/dbraw/zinc/37/16/52/802371652.db2.gz QFJBEBPAFVSCHF-ZDUSSCGKSA-N 1 1 322.361 2.173 20 5 DEBDMO C[C@@H](O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC001223432933 802788999 /nfs/dbraw/zinc/78/89/99/802788999.db2.gz XYLOVDQLXTWAMZ-SUZRMVIJSA-N 1 1 304.346 2.477 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CO[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001224704697 802896094 /nfs/dbraw/zinc/89/60/94/802896094.db2.gz CCUOWFUXQYJLGE-BBRMVZONSA-N 1 1 322.361 2.234 20 5 DEBDMO CC1(C)CN(Cc2ccccc2)C[C@H](COCC[N+](C)(C)C)O1 ZINC001224776207 802902345 /nfs/dbraw/zinc/90/23/45/802902345.db2.gz SRYQDNTZPVSAAU-GOSISDBHSA-N 1 1 321.485 2.389 20 5 DEBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1[nH]ccc(=O)c1[N+](=O)[O-])C2 ZINC001225668168 802999581 /nfs/dbraw/zinc/99/95/81/802999581.db2.gz ZGKLMEYINMQQAL-GDNZZTSVSA-N 1 1 307.350 2.478 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226437519 803108281 /nfs/dbraw/zinc/10/82/81/803108281.db2.gz XIQNKBHUNZOIIL-LBPRGKRZSA-N 1 1 302.334 2.400 20 5 DEBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001227122349 803204817 /nfs/dbraw/zinc/20/48/17/803204817.db2.gz NVUPGDCQDGAGAK-GDNZZTSVSA-N 1 1 320.345 2.385 20 5 DEBDMO C[N@H+]1CCC[C@@H](Oc2ccc(Br)nc2[N+](=O)[O-])C1 ZINC001227257418 803223339 /nfs/dbraw/zinc/22/33/39/803223339.db2.gz YRWIMMSGZHBGHE-MRVPVSSYSA-N 1 1 316.155 2.225 20 5 DEBDMO COC(=O)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001227295939 803228288 /nfs/dbraw/zinc/22/82/88/803228288.db2.gz RKOSCQKZDKWKKG-ITGUQSILSA-N 1 1 320.345 2.385 20 5 DEBDMO CC[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])sc2C(=O)OC)C1 ZINC001227544810 803249878 /nfs/dbraw/zinc/24/98/78/803249878.db2.gz RMXWKOQIVUVPEE-VIFPVBQESA-N 1 1 314.363 2.306 20 5 DEBDMO CC[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])sc2C(=O)OC)C1 ZINC001227544810 803249883 /nfs/dbraw/zinc/24/98/83/803249883.db2.gz RMXWKOQIVUVPEE-VIFPVBQESA-N 1 1 314.363 2.306 20 5 DEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001344098562 1150797078 /nfs/dbraw/zinc/79/70/78/1150797078.db2.gz JTXSZYRBYCCOAZ-JTQLQIEISA-N 1 1 311.769 2.333 20 5 DEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001344098562 1150797081 /nfs/dbraw/zinc/79/70/81/1150797081.db2.gz JTXSZYRBYCCOAZ-JTQLQIEISA-N 1 1 311.769 2.333 20 5 DEBDMO Cc1cc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC001344874923 1150848050 /nfs/dbraw/zinc/84/80/50/1150848050.db2.gz IWBVGHKETJVVAU-SMDDNHRTSA-N 1 1 304.350 2.071 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001346129495 1150943061 /nfs/dbraw/zinc/94/30/61/1150943061.db2.gz WHNZBEAYMPIIES-ZDUSSCGKSA-N 1 1 320.393 2.241 20 5 DEBDMO C[C@H](C1CC1)[N@@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603436882 1069967749 /nfs/dbraw/zinc/96/77/49/1069967749.db2.gz PYQDAXGFJIPJGG-SECBINFHSA-N 1 1 302.338 2.005 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC001526676833 1070333784 /nfs/dbraw/zinc/33/37/84/1070333784.db2.gz SUHNEIRGIRBVJK-BPNCWPANSA-N 1 1 304.350 2.057 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001526687545 1070334899 /nfs/dbraw/zinc/33/48/99/1070334899.db2.gz GSKGDIPNBRAUEG-UHFFFAOYSA-N 1 1 324.381 2.457 20 5 DEBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001604810881 1070502260 /nfs/dbraw/zinc/50/22/60/1070502260.db2.gz YRGANLUGNBVBRN-UHFFFAOYSA-N 1 1 324.344 2.407 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC001471787921 1060294551 /nfs/dbraw/zinc/29/45/51/1060294551.db2.gz DFGIHZOYHOSIHB-UHFFFAOYSA-N 1 1 320.324 2.231 20 5 DEBDMO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001473586604 1060698603 /nfs/dbraw/zinc/69/86/03/1060698603.db2.gz SWADCJJDMWLIES-FRRDWIJNSA-N 1 1 305.378 2.077 20 5 DEBDMO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001473586604 1060698612 /nfs/dbraw/zinc/69/86/12/1060698612.db2.gz SWADCJJDMWLIES-FRRDWIJNSA-N 1 1 305.378 2.077 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C(N)=O)cs1 ZINC001474084575 1060811524 /nfs/dbraw/zinc/81/15/24/1060811524.db2.gz XXILKBUDHKRNPR-UHFFFAOYSA-N 1 1 321.358 2.054 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001633592247 1078408654 /nfs/dbraw/zinc/40/86/54/1078408654.db2.gz GIBJFBCUTSWMCE-GFCCVEGCSA-N 1 1 320.393 2.239 20 5 DEBDMO CC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001577162344 1066776993 /nfs/dbraw/zinc/77/69/93/1066776993.db2.gz VTGQTOGXCBISSR-WDEREUQCSA-N 1 1 316.365 2.395 20 5 DEBDMO CC[N@H+]1CCC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001639118553 1078595302 /nfs/dbraw/zinc/59/53/02/1078595302.db2.gz PAGNXNLHCGUAPV-JTQLQIEISA-N 1 1 311.769 2.462 20 5 DEBDMO CO[C@@H]1C[NH2+][C@](C)(C(=O)OCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001573960052 1069135975 /nfs/dbraw/zinc/13/59/75/1069135975.db2.gz CMHBJLCLHKZEKZ-LRDDRELGSA-N 1 1 322.361 2.022 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](c3cnccn3)C2)cc1 ZINC001644671694 1078854713 /nfs/dbraw/zinc/85/47/13/1078854713.db2.gz DNWJEEAQRLMUFJ-ZDUSSCGKSA-N 1 1 314.345 2.253 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](c3cnccn3)C2)cc1 ZINC001644671692 1078855728 /nfs/dbraw/zinc/85/57/28/1078855728.db2.gz DNWJEEAQRLMUFJ-CYBMUJFWSA-N 1 1 314.345 2.253 20 5 DEBDMO C[N@H+]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C(C)(C)C1 ZINC001645237218 1078889082 /nfs/dbraw/zinc/88/90/82/1078889082.db2.gz MROYQWMKXNKLSR-CQSZACIVSA-N 1 1 317.345 2.411 20 5 DEBDMO [NH3+]Cc1nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2[nH]1 ZINC001580355530 1075910130 /nfs/dbraw/zinc/91/01/30/1075910130.db2.gz JGRIGCJWMDCZJU-UHFFFAOYSA-N 1 1 311.301 2.182 20 5 DEBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2C1 ZINC001584631329 1076310398 /nfs/dbraw/zinc/31/03/98/1076310398.db2.gz NWTYPGYOMUEGKR-UHFFFAOYSA-N 1 1 315.333 2.296 20 5 DEBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2C1 ZINC001584631329 1076310399 /nfs/dbraw/zinc/31/03/99/1076310399.db2.gz NWTYPGYOMUEGKR-UHFFFAOYSA-N 1 1 315.333 2.296 20 5 DEBDMO C[C@@H]([N@@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1(C)CC1 ZINC001589912494 1076529712 /nfs/dbraw/zinc/52/97/12/1076529712.db2.gz YORWELALGJASMM-SNVBAGLBSA-N 1 1 316.365 2.395 20 5 DEBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC12CCCC2 ZINC001609599812 1077881207 /nfs/dbraw/zinc/88/12/07/1077881207.db2.gz BKUHZPBYWZDPQH-UHFFFAOYSA-N 1 1 314.349 2.293 20 5 DEBDMO Cc1ccc(CNc2nn(C)cc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC001650956546 1079782049 /nfs/dbraw/zinc/78/20/49/1079782049.db2.gz DVPXFWVLZDKHAD-UHFFFAOYSA-N 1 1 316.365 2.244 20 5 DEBDMO COC(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)[nH]1 ZINC001652008238 1079846801 /nfs/dbraw/zinc/84/68/01/1079846801.db2.gz BNEMSKDUDXNWMV-UHFFFAOYSA-N 1 1 319.317 2.008 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC001654027826 1079948693 /nfs/dbraw/zinc/94/86/93/1079948693.db2.gz WAPWEYGLTGSPRN-PPYMECGQSA-N 1 1 303.362 2.161 20 5 DEBDMO Cc1noc([C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC001655159181 1079988845 /nfs/dbraw/zinc/98/88/45/1079988845.db2.gz PBPOTMKBYLYLBW-UONOGXRCSA-N 1 1 320.349 2.307 20 5 DEBDMO Cc1noc(C[NH+]2CCC(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC001660242130 1080291901 /nfs/dbraw/zinc/29/19/01/1080291901.db2.gz VHJVMCGRKVNIOF-UHFFFAOYSA-N 1 1 303.322 2.061 20 5 DEBDMO CC(C)[N@@H+](C)CC(=O)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107232676 1080687463 /nfs/dbraw/zinc/68/74/63/1080687463.db2.gz FGASZEMEQVGPLW-SREVYHEPSA-N 1 1 320.393 2.019 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC001671624230 1081526794 /nfs/dbraw/zinc/52/67/94/1081526794.db2.gz HGKYGXBSDVNMEO-CQSZACIVSA-N 1 1 320.393 2.139 20 5 DEBDMO C[N@@H+](CCNC(=O)CCC(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001266298904 1081955652 /nfs/dbraw/zinc/95/56/52/1081955652.db2.gz QMQMSPYTXLITNJ-UHFFFAOYSA-N 1 1 315.320 2.188 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)n1 ZINC001234881086 1084226940 /nfs/dbraw/zinc/22/69/40/1084226940.db2.gz LWWAXKRTPPRVLY-GNXNZQSNSA-N 1 1 307.350 2.108 20 5 DEBDMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)F ZINC001319966069 1091198405 /nfs/dbraw/zinc/19/84/05/1091198405.db2.gz CNMXASPNMHHNQG-UHFFFAOYSA-N 1 1 311.357 2.233 20 5 DEBDMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)F ZINC001319966069 1091198411 /nfs/dbraw/zinc/19/84/11/1091198411.db2.gz CNMXASPNMHHNQG-UHFFFAOYSA-N 1 1 311.357 2.233 20 5 DEBDMO N[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246566865 1140970287 /nfs/dbraw/zinc/97/02/87/1140970287.db2.gz GOXWYQYYSOWQTF-CHWSQXEVSA-N 1 1 315.295 2.028 20 5 DEBDMO N[C@]1(C(F)(F)F)CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246566865 1140970295 /nfs/dbraw/zinc/97/02/95/1140970295.db2.gz GOXWYQYYSOWQTF-CHWSQXEVSA-N 1 1 315.295 2.028 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN[C@H](C(F)(F)F)C1 ZINC001246992465 1141225837 /nfs/dbraw/zinc/22/58/37/1141225837.db2.gz RFZSAONJZOIKKB-MFKMUULPSA-N 1 1 317.311 2.362 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN[C@H](C(F)(F)F)C1 ZINC001246992465 1141225862 /nfs/dbraw/zinc/22/58/62/1141225862.db2.gz RFZSAONJZOIKKB-MFKMUULPSA-N 1 1 317.311 2.362 20 5 DEBDMO COc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c(F)cc1[N+](=O)[O-] ZINC001336886243 1142614831 /nfs/dbraw/zinc/61/48/31/1142614831.db2.gz LRRLMJXXVSXTMI-JFGNBEQYSA-N 1 1 309.341 2.495 20 5 DEBDMO COC(=O)CC(C)(C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001253462822 1142873818 /nfs/dbraw/zinc/87/38/18/1142873818.db2.gz OCJPATZMYBCYRN-UHFFFAOYSA-N 1 1 310.350 2.247 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCO[C@@H]4C[C@@H]43)CC2)cc1 ZINC001254481116 1143135023 /nfs/dbraw/zinc/13/50/23/1143135023.db2.gz SMSIXOBLNYMGTM-JKSUJKDBSA-N 1 1 303.362 2.037 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCO[C@@H]4C[C@@H]43)CC2)cc1 ZINC001254481116 1143135049 /nfs/dbraw/zinc/13/50/49/1143135049.db2.gz SMSIXOBLNYMGTM-JKSUJKDBSA-N 1 1 303.362 2.037 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC[N@H+]3CCC[C@H]3C1)C2 ZINC001254601358 1143275122 /nfs/dbraw/zinc/27/51/22/1143275122.db2.gz YQDNRTPOYVGIAI-IRXDYDNUSA-N 1 1 301.390 2.232 20 5 DEBDMO COC(=O)C[N@@H+](C1CCCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602841 1143277694 /nfs/dbraw/zinc/27/76/94/1143277694.db2.gz JFLGDRNKPNRSFL-INIZCTEOSA-N 1 1 318.373 2.480 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@@H]3COC[C@H](C1)C3(F)F)C2 ZINC001254607947 1143279337 /nfs/dbraw/zinc/27/93/37/1143279337.db2.gz NRPMEFMGAFVSJY-GUTXKFCHSA-N 1 1 324.327 2.276 20 5 DEBDMO CCc1nn(Cc2ccccc2)c(CC)c1C[NH2+]CC[N+](=O)[O-] ZINC001262575195 1144320992 /nfs/dbraw/zinc/32/09/92/1144320992.db2.gz KFFKHZOLUPYJEQ-UHFFFAOYSA-N 1 1 316.405 2.423 20 5 DEBDMO C[S@](=O)[C@@H]1CC[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC001262709924 1144329531 /nfs/dbraw/zinc/32/95/31/1144329531.db2.gz ZKXNMNJFWWJDJN-YEAUUJKJSA-N 1 1 319.386 2.276 20 5 DEBDMO C[N@H+]1C[C@@]23CN(c4ncc([N+](=O)[O-])s4)C[C@]2(C1)CCCC3 ZINC001262716406 1144330235 /nfs/dbraw/zinc/33/02/35/1144330235.db2.gz DTBIXBHHQTWCGH-OKILXGFUSA-N 1 1 308.407 2.364 20 5 DEBDMO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc([N+](=O)[O-])cc3)C[N@H+]2C1 ZINC001263709985 1144390033 /nfs/dbraw/zinc/39/00/33/1144390033.db2.gz JHJXBLVZMZFTGQ-XNRPHZJLSA-N 1 1 317.389 2.331 20 5 DEBDMO CCc1[nH+]ccn1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001303469849 1147327810 /nfs/dbraw/zinc/32/78/10/1147327810.db2.gz NKVBVAZXTWGRCB-UHFFFAOYSA-N 1 1 322.752 2.437 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001304040968 1147343574 /nfs/dbraw/zinc/34/35/74/1147343574.db2.gz DRGVNHAQSOLDSH-CYBMUJFWSA-N 1 1 309.341 2.194 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2c[nH+]c3n2CCC3)c1 ZINC001307210357 1147406692 /nfs/dbraw/zinc/40/66/92/1147406692.db2.gz ISHNBDXLMBMIQH-UHFFFAOYSA-N 1 1 316.317 2.136 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001307236058 1147410146 /nfs/dbraw/zinc/41/01/46/1147410146.db2.gz RTIGAQQOWBDODX-LBPRGKRZSA-N 1 1 321.377 2.220 20 5 DEBDMO CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247300443 534924522 /nfs/dbraw/zinc/92/45/22/534924522.db2.gz UQRJTPSUFADFFV-DZGCQCFKSA-N 1 1 310.398 2.053 20 5 DEBDMO O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC000278721251 214352949 /nfs/dbraw/zinc/35/29/49/214352949.db2.gz POSOJZLDJKIQDM-VXGBXAGGSA-N 1 1 315.377 2.188 20 5 DEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCc2ccccc2C1 ZINC000090529829 185300753 /nfs/dbraw/zinc/30/07/53/185300753.db2.gz ZDEZTKYDNHRKEZ-UHFFFAOYSA-N 1 1 313.357 2.205 20 5 DEBDMO COCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092642795 185330709 /nfs/dbraw/zinc/33/07/09/185330709.db2.gz PADXAIDHOIMZCU-UHFFFAOYSA-N 1 1 319.308 2.186 20 5 DEBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000181482571 199304511 /nfs/dbraw/zinc/30/45/11/199304511.db2.gz DODRWNYDEGGLPB-WFASDCNBSA-N 1 1 321.377 2.016 20 5 DEBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000181482571 199304512 /nfs/dbraw/zinc/30/45/12/199304512.db2.gz DODRWNYDEGGLPB-WFASDCNBSA-N 1 1 321.377 2.016 20 5 DEBDMO CC[N@@H+](CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000272787965 210191599 /nfs/dbraw/zinc/19/15/99/210191599.db2.gz FYHQMTSMGOEGJV-UHFFFAOYSA-N 1 1 322.365 2.209 20 5 DEBDMO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272608906 210010252 /nfs/dbraw/zinc/01/02/52/210010252.db2.gz YVHDWLJFHHBFHY-GFCCVEGCSA-N 1 1 321.377 2.104 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272608906 210010256 /nfs/dbraw/zinc/01/02/56/210010256.db2.gz YVHDWLJFHHBFHY-GFCCVEGCSA-N 1 1 321.377 2.104 20 5 DEBDMO CCOCCOCC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595454553 358453576 /nfs/dbraw/zinc/45/35/76/358453576.db2.gz IQYMTNZDEYJODO-UHFFFAOYSA-N 1 1 300.330 2.219 20 5 DEBDMO CCOCCOCC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595454553 358453578 /nfs/dbraw/zinc/45/35/78/358453578.db2.gz IQYMTNZDEYJODO-UHFFFAOYSA-N 1 1 300.330 2.219 20 5 DEBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331356932 233160166 /nfs/dbraw/zinc/16/01/66/233160166.db2.gz SOHZWHKOPXQLJL-NEPJUHHUSA-N 1 1 307.350 2.033 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152524401 186081402 /nfs/dbraw/zinc/08/14/02/186081402.db2.gz SQLHBCIZYJAKPQ-LLVKDONJSA-N 1 1 311.769 2.462 20 5 DEBDMO Cc1c(CC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000269586715 186392166 /nfs/dbraw/zinc/39/21/66/186392166.db2.gz BPURMGHSERPRRW-XHDPSFHLSA-N 1 1 317.389 2.045 20 5 DEBDMO CCOc1ccc(NC(=O)Cn2c[nH+]c(C)c2C)c([N+](=O)[O-])c1 ZINC000171994035 198021832 /nfs/dbraw/zinc/02/18/32/198021832.db2.gz JMZSFLGSADFUKK-UHFFFAOYSA-N 1 1 318.333 2.446 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000617350398 363105180 /nfs/dbraw/zinc/10/51/80/363105180.db2.gz XVKVSVXSRSHOLF-LBPRGKRZSA-N 1 1 321.377 2.064 20 5 DEBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000072930079 191252776 /nfs/dbraw/zinc/25/27/76/191252776.db2.gz CBSIOVJSRQITLQ-GXTWGEPZSA-N 1 1 304.350 2.295 20 5 DEBDMO CC(C)OCCN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173169919 198191846 /nfs/dbraw/zinc/19/18/46/198191846.db2.gz DCGYLDLYZKVETJ-UHFFFAOYSA-N 1 1 321.421 2.180 20 5 DEBDMO CCC[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174654956 198365303 /nfs/dbraw/zinc/36/53/03/198365303.db2.gz AUWIIHBZALUNGE-INIZCTEOSA-N 1 1 318.377 2.064 20 5 DEBDMO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000174740860 198378078 /nfs/dbraw/zinc/37/80/78/198378078.db2.gz IIOYLXDDHNHLLK-GFCCVEGCSA-N 1 1 310.375 2.075 20 5 DEBDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000174740860 198378080 /nfs/dbraw/zinc/37/80/80/198378080.db2.gz IIOYLXDDHNHLLK-GFCCVEGCSA-N 1 1 310.375 2.075 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000046381277 354281510 /nfs/dbraw/zinc/28/15/10/354281510.db2.gz JPDIBFXDYKBDAL-LBPRGKRZSA-N 1 1 306.366 2.448 20 5 DEBDMO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000047794794 354331115 /nfs/dbraw/zinc/33/11/15/354331115.db2.gz GPNRTMRRGSOJCX-CYBMUJFWSA-N 1 1 307.350 2.305 20 5 DEBDMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000047794794 354331117 /nfs/dbraw/zinc/33/11/17/354331117.db2.gz GPNRTMRRGSOJCX-CYBMUJFWSA-N 1 1 307.350 2.305 20 5 DEBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000050988934 354377861 /nfs/dbraw/zinc/37/78/61/354377861.db2.gz IEORRBTUGBWQCZ-OAHLLOKOSA-N 1 1 320.389 2.455 20 5 DEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC2CC2)c([N+](=O)[O-])c1 ZINC000053184610 354425945 /nfs/dbraw/zinc/42/59/45/354425945.db2.gz JXCHBDGKAVEHLX-SNVBAGLBSA-N 1 1 307.350 2.272 20 5 DEBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000053303389 354429230 /nfs/dbraw/zinc/42/92/30/354429230.db2.gz DEMOAGOPBLGJBZ-TXEJJXNPSA-N 1 1 322.409 2.409 20 5 DEBDMO C[C@@H](CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057706052 354577400 /nfs/dbraw/zinc/57/74/00/354577400.db2.gz MTAMEEXEEZZZAW-VUQUXZKVSA-N 1 1 321.352 2.346 20 5 DEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000063114352 354639326 /nfs/dbraw/zinc/63/93/26/354639326.db2.gz OICMMFPCJOQOGO-LLVKDONJSA-N 1 1 314.345 2.043 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000067682629 354773780 /nfs/dbraw/zinc/77/37/80/354773780.db2.gz VYVYEOHUZNKHSO-CQSZACIVSA-N 1 1 320.393 2.124 20 5 DEBDMO Cc1cccc(C(=O)N2CCC[N@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000068781190 354831515 /nfs/dbraw/zinc/83/15/15/354831515.db2.gz MGWBKBQQRMBSMV-UHFFFAOYSA-N 1 1 305.378 2.460 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000072688489 354913533 /nfs/dbraw/zinc/91/35/33/354913533.db2.gz SWDCMFBCHNMHIC-HUUCEWRRSA-N 1 1 319.405 2.310 20 5 DEBDMO CC(C)OCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000074773264 355049096 /nfs/dbraw/zinc/04/90/96/355049096.db2.gz ZLKKPMNXBJYQIE-UHFFFAOYSA-N 1 1 311.357 2.281 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000078022648 355240994 /nfs/dbraw/zinc/24/09/94/355240994.db2.gz RPYFMQBQTFITBI-JTQLQIEISA-N 1 1 309.395 2.080 20 5 DEBDMO C[C@@H](O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000089928966 355548465 /nfs/dbraw/zinc/54/84/65/355548465.db2.gz BWOCNVHYHZPISI-OLZOCXBDSA-N 1 1 321.377 2.016 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])cc1OC ZINC000093106440 355666963 /nfs/dbraw/zinc/66/69/63/355666963.db2.gz MJWPGCQDYWTVIZ-GFCCVEGCSA-N 1 1 324.377 2.206 20 5 DEBDMO Cc1cc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000180394514 356049058 /nfs/dbraw/zinc/04/90/58/356049058.db2.gz VCIIVYRKBIZRIU-SNVBAGLBSA-N 1 1 304.306 2.181 20 5 DEBDMO CCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000194362773 356238292 /nfs/dbraw/zinc/23/82/92/356238292.db2.gz KYDKUWVLOBMCRM-AWEZNQCLSA-N 1 1 308.378 2.457 20 5 DEBDMO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000081522301 192281730 /nfs/dbraw/zinc/28/17/30/192281730.db2.gz HAYBLVLTNJASRC-CYBMUJFWSA-N 1 1 321.377 2.200 20 5 DEBDMO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000081522301 192281734 /nfs/dbraw/zinc/28/17/34/192281734.db2.gz HAYBLVLTNJASRC-CYBMUJFWSA-N 1 1 321.377 2.200 20 5 DEBDMO CCC[N@H+](C)Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000350650023 356553145 /nfs/dbraw/zinc/55/31/45/356553145.db2.gz KASKHNSIPMWPJI-UHFFFAOYSA-N 1 1 319.365 2.474 20 5 DEBDMO CCC[N@@H+](C)Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000350650023 356553148 /nfs/dbraw/zinc/55/31/48/356553148.db2.gz KASKHNSIPMWPJI-UHFFFAOYSA-N 1 1 319.365 2.474 20 5 DEBDMO CC[NH+](CC)Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000276901282 213164105 /nfs/dbraw/zinc/16/41/05/213164105.db2.gz JDQGZGXFYPEOFZ-UHFFFAOYSA-N 1 1 319.365 2.474 20 5 DEBDMO C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000579422333 356969783 /nfs/dbraw/zinc/96/97/83/356969783.db2.gz BYKJSXHWQMSLAD-BJJXKVORSA-N 1 1 317.389 2.393 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000580772016 357079032 /nfs/dbraw/zinc/07/90/32/357079032.db2.gz QHQPIWPJDIJGKP-INIZCTEOSA-N 1 1 306.362 2.475 20 5 DEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000580772016 357079035 /nfs/dbraw/zinc/07/90/35/357079035.db2.gz QHQPIWPJDIJGKP-INIZCTEOSA-N 1 1 306.362 2.475 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000588011377 357388167 /nfs/dbraw/zinc/38/81/67/357388167.db2.gz CTSSVNXNAMKWIU-DTWKUNHWSA-N 1 1 307.379 2.128 20 5 DEBDMO NC(=O)Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000589320726 357463833 /nfs/dbraw/zinc/46/38/33/357463833.db2.gz HLRUYJGEFRIFKM-UHFFFAOYSA-N 1 1 317.320 2.052 20 5 DEBDMO COC[C@H]1CCC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589497868 357475975 /nfs/dbraw/zinc/47/59/75/357475975.db2.gz DXJZDURLIHHWKS-LBPRGKRZSA-N 1 1 322.361 2.240 20 5 DEBDMO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590762200 357605162 /nfs/dbraw/zinc/60/51/62/357605162.db2.gz ACIBVDJORIKGLC-QMTHXVAHSA-N 1 1 303.318 2.205 20 5 DEBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590762200 357605165 /nfs/dbraw/zinc/60/51/65/357605165.db2.gz ACIBVDJORIKGLC-QMTHXVAHSA-N 1 1 303.318 2.205 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000590797887 357614029 /nfs/dbraw/zinc/61/40/29/357614029.db2.gz SKYFVUSPJLVNTI-GFCCVEGCSA-N 1 1 306.366 2.461 20 5 DEBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591056149 357668586 /nfs/dbraw/zinc/66/85/86/357668586.db2.gz XRNOQFJKVHJELU-KGLIPLIRSA-N 1 1 308.378 2.457 20 5 DEBDMO Cn1cc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000591348108 357709611 /nfs/dbraw/zinc/70/96/11/357709611.db2.gz LEVIUGOAVAEVAV-HNNXBMFYSA-N 1 1 301.350 2.281 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000292355893 223016179 /nfs/dbraw/zinc/01/61/79/223016179.db2.gz HVCFYIPDJOZVKI-JSGCOSHPSA-N 1 1 321.377 2.077 20 5 DEBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCCN1 ZINC000591275607 357697449 /nfs/dbraw/zinc/69/74/49/357697449.db2.gz IPKGUQJNSHLWKU-TZMCWYRMSA-N 1 1 320.393 2.044 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000591529549 357733248 /nfs/dbraw/zinc/73/32/48/357733248.db2.gz OOXRXCAFGBXVLH-AWEZNQCLSA-N 1 1 317.389 2.426 20 5 DEBDMO Cc1nc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000591728985 357754928 /nfs/dbraw/zinc/75/49/28/357754928.db2.gz BRGIUTKDFZGWEV-UHFFFAOYSA-N 1 1 320.374 2.478 20 5 DEBDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000179487434 199044614 /nfs/dbraw/zinc/04/46/14/199044614.db2.gz FPZUVFREGCKJSH-CQSZACIVSA-N 1 1 303.362 2.146 20 5 DEBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000179487434 199044615 /nfs/dbraw/zinc/04/46/15/199044615.db2.gz FPZUVFREGCKJSH-CQSZACIVSA-N 1 1 303.362 2.146 20 5 DEBDMO C[C@@H](CCO)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000593694737 358125283 /nfs/dbraw/zinc/12/52/83/358125283.db2.gz RAWDHHRVWMCCDO-VIFPVBQESA-N 1 1 304.293 2.399 20 5 DEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594200276 358222974 /nfs/dbraw/zinc/22/29/74/358222974.db2.gz KMNROKJTSNWMPW-GJZGRUSLSA-N 1 1 321.352 2.481 20 5 DEBDMO CC(C)Oc1nc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000594576830 358296080 /nfs/dbraw/zinc/29/60/80/358296080.db2.gz BGTQIRVHGXDOOK-TZMCWYRMSA-N 1 1 320.393 2.307 20 5 DEBDMO C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595695876 358525616 /nfs/dbraw/zinc/52/56/16/358525616.db2.gz ISJWPNXWGNKWRN-GXTWGEPZSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595695876 358525618 /nfs/dbraw/zinc/52/56/18/358525618.db2.gz ISJWPNXWGNKWRN-GXTWGEPZSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CCO ZINC000595695878 358525688 /nfs/dbraw/zinc/52/56/88/358525688.db2.gz ISJWPNXWGNKWRN-OCCSQVGLSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CCO ZINC000595695878 358525691 /nfs/dbraw/zinc/52/56/91/358525691.db2.gz ISJWPNXWGNKWRN-OCCSQVGLSA-N 1 1 321.377 2.016 20 5 DEBDMO Cc1c(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595738448 358537832 /nfs/dbraw/zinc/53/78/32/358537832.db2.gz IGEMSZKBCSBJNI-KBPBESRZSA-N 1 1 303.362 2.004 20 5 DEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596086027 358606937 /nfs/dbraw/zinc/60/69/37/358606937.db2.gz SPDPVGBABRJKEL-GRYCIOLGSA-N 1 1 308.382 2.474 20 5 DEBDMO CCOC(=O)c1cc(N[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596091119 358608608 /nfs/dbraw/zinc/60/86/08/358608608.db2.gz VKQVXYRAJDWUJD-LBPRGKRZSA-N 1 1 319.361 2.420 20 5 DEBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596138343 358620162 /nfs/dbraw/zinc/62/01/62/358620162.db2.gz JATKOIGBFZCITG-GFCCVEGCSA-N 1 1 320.393 2.004 20 5 DEBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596174806 358630533 /nfs/dbraw/zinc/63/05/33/358630533.db2.gz ISLFOBRHQWEHJL-CYBMUJFWSA-N 1 1 300.318 2.294 20 5 DEBDMO O=[N+]([O-])c1cncc(Cl)c1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000596209612 358640214 /nfs/dbraw/zinc/64/02/14/358640214.db2.gz AINXLDKORCTXJQ-LLVKDONJSA-N 1 1 310.785 2.494 20 5 DEBDMO O=[N+]([O-])c1cncc(Cl)c1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000596209612 358640217 /nfs/dbraw/zinc/64/02/17/358640217.db2.gz AINXLDKORCTXJQ-LLVKDONJSA-N 1 1 310.785 2.494 20 5 DEBDMO CCC[N@H+]1CC[C@@H](Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000596517314 358705020 /nfs/dbraw/zinc/70/50/20/358705020.db2.gz MLGUFJZWNFPMKW-CYBMUJFWSA-N 1 1 321.377 2.207 20 5 DEBDMO CCC[N@H+]1CC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000596517656 358705112 /nfs/dbraw/zinc/70/51/12/358705112.db2.gz QKVNIQUGOPAHSO-NSHDSACASA-N 1 1 301.350 2.434 20 5 DEBDMO Cc1nn(C)c(N[C@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596477307 358695214 /nfs/dbraw/zinc/69/52/14/358695214.db2.gz JNGPOYOJTLNVGF-LBPRGKRZSA-N 1 1 307.398 2.456 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597603293 358960445 /nfs/dbraw/zinc/96/04/45/358960445.db2.gz BHUOISYUUPFTEH-ZDUSSCGKSA-N 1 1 309.341 2.290 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000597603780 358960577 /nfs/dbraw/zinc/96/05/77/358960577.db2.gz DUVVWSFNFUAXII-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000598645317 359273191 /nfs/dbraw/zinc/27/31/91/359273191.db2.gz CQGNXGSUJHTABY-PWSUYJOCSA-N 1 1 312.341 2.193 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000598645317 359273194 /nfs/dbraw/zinc/27/31/94/359273194.db2.gz CQGNXGSUJHTABY-PWSUYJOCSA-N 1 1 312.341 2.193 20 5 DEBDMO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599623194 359544764 /nfs/dbraw/zinc/54/47/64/359544764.db2.gz MNFLTQGJXWZBJR-VIFPVBQESA-N 1 1 313.304 2.313 20 5 DEBDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599623194 359544769 /nfs/dbraw/zinc/54/47/69/359544769.db2.gz MNFLTQGJXWZBJR-VIFPVBQESA-N 1 1 313.304 2.313 20 5 DEBDMO CC[C@]1(CO)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000187594203 200132104 /nfs/dbraw/zinc/13/21/04/200132104.db2.gz BFXKGZWURFACKI-INIZCTEOSA-N 1 1 308.378 2.458 20 5 DEBDMO CSC[C@@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000187805292 200158744 /nfs/dbraw/zinc/15/87/44/200158744.db2.gz RHVAGGTWRWWINR-NSHDSACASA-N 1 1 304.799 2.404 20 5 DEBDMO CSC[C@@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000187805292 200158746 /nfs/dbraw/zinc/15/87/46/200158746.db2.gz RHVAGGTWRWWINR-NSHDSACASA-N 1 1 304.799 2.404 20 5 DEBDMO CNc1ccc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000600311825 359719876 /nfs/dbraw/zinc/71/98/76/359719876.db2.gz RBBNQUVXCFCAGU-GFCCVEGCSA-N 1 1 320.393 2.098 20 5 DEBDMO O=[N+]([O-])c1ccc2nc(NCC[N@H+]3CCCOCC3)ccc2c1 ZINC000188503871 200258301 /nfs/dbraw/zinc/25/83/01/200258301.db2.gz MTZCGWSCIQSFEX-UHFFFAOYSA-N 1 1 316.361 2.277 20 5 DEBDMO CC(=O)N1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601100776 359919505 /nfs/dbraw/zinc/91/95/05/359919505.db2.gz HONVALLDJKWEEL-UHFFFAOYSA-N 1 1 314.345 2.202 20 5 DEBDMO Cc1nnc(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)n1C1CC1 ZINC000601139686 359937384 /nfs/dbraw/zinc/93/73/84/359937384.db2.gz HIMOCHLMCMGCFY-UHFFFAOYSA-N 1 1 324.344 2.412 20 5 DEBDMO CNC(=O)[C@@]1(C)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601158861 359946956 /nfs/dbraw/zinc/94/69/56/359946956.db2.gz DQTPVIGYZDPCTH-INIZCTEOSA-N 1 1 314.345 2.105 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000601332237 360010529 /nfs/dbraw/zinc/01/05/29/360010529.db2.gz GYVRGHHYGHYAOE-DGCLKSJQSA-N 1 1 321.352 2.290 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000601529522 360064015 /nfs/dbraw/zinc/06/40/15/360064015.db2.gz PWMIDAJDLBFIOW-CYBMUJFWSA-N 1 1 309.341 2.146 20 5 DEBDMO CC(C)[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000601529522 360064018 /nfs/dbraw/zinc/06/40/18/360064018.db2.gz PWMIDAJDLBFIOW-CYBMUJFWSA-N 1 1 309.341 2.146 20 5 DEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000601662932 360104051 /nfs/dbraw/zinc/10/40/51/360104051.db2.gz VNPCXSGOIBBVGN-STQMWFEESA-N 1 1 321.352 2.481 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601666726 360106324 /nfs/dbraw/zinc/10/63/24/360106324.db2.gz QKWQMUQGIQKQID-SNVBAGLBSA-N 1 1 309.341 2.337 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000602071676 360255278 /nfs/dbraw/zinc/25/52/78/360255278.db2.gz DAHDOPVJGDYXTC-UHFFFAOYSA-N 1 1 323.393 2.198 20 5 DEBDMO COCC[N@H+](CCO)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602457978 360382540 /nfs/dbraw/zinc/38/25/40/360382540.db2.gz KVCRPGWIVAYPER-UHFFFAOYSA-N 1 1 322.283 2.054 20 5 DEBDMO COCC[N@@H+](CCO)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602457978 360382542 /nfs/dbraw/zinc/38/25/42/360382542.db2.gz KVCRPGWIVAYPER-UHFFFAOYSA-N 1 1 322.283 2.054 20 5 DEBDMO CCc1ccc([C@@H](COC)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000602805736 360564600 /nfs/dbraw/zinc/56/46/00/360564600.db2.gz PMXVSGILTVSIIG-CYBMUJFWSA-N 1 1 322.365 2.232 20 5 DEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000602839709 360583978 /nfs/dbraw/zinc/58/39/78/360583978.db2.gz XDWLLHXHCKCGNB-UKRRQHHQSA-N 1 1 320.393 2.133 20 5 DEBDMO CCn1cc(C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C(C)C)cn1 ZINC000602861644 360596732 /nfs/dbraw/zinc/59/67/32/360596732.db2.gz CTYFCDHQRDNZDL-UHFFFAOYSA-N 1 1 320.397 2.227 20 5 DEBDMO CC[C@@]1(O)CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000602983156 360653863 /nfs/dbraw/zinc/65/38/63/360653863.db2.gz CUJIAWGJQKFCDV-BLLLJJGKSA-N 1 1 321.377 2.159 20 5 DEBDMO CC[C@@]1(O)CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000602983156 360653864 /nfs/dbraw/zinc/65/38/64/360653864.db2.gz CUJIAWGJQKFCDV-BLLLJJGKSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@H]1COCC[N@H+]1C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000603401202 360817983 /nfs/dbraw/zinc/81/79/83/360817983.db2.gz JEWILRQBYHHWCP-NSHDSACASA-N 1 1 311.407 2.346 20 5 DEBDMO Cc1cc(NCc2c[nH+]c(N(C)C)n2C)c(F)cc1[N+](=O)[O-] ZINC000292578608 223158114 /nfs/dbraw/zinc/15/81/14/223158114.db2.gz KSSIRLKDDYCARR-UHFFFAOYSA-N 1 1 307.329 2.454 20 5 DEBDMO O=[N+]([O-])c1ccccc1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000609599056 361326310 /nfs/dbraw/zinc/32/63/10/361326310.db2.gz GGIYLXHNXKUJDN-INIZCTEOSA-N 1 1 319.405 2.328 20 5 DEBDMO CO[C@]1(C)CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619431590 363791416 /nfs/dbraw/zinc/79/14/16/363791416.db2.gz MGJZRVYQLUYHIQ-MRXNPFEDSA-N 1 1 322.361 2.367 20 5 DEBDMO CO[C@]1(C)CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619431590 363791422 /nfs/dbraw/zinc/79/14/22/363791422.db2.gz MGJZRVYQLUYHIQ-MRXNPFEDSA-N 1 1 322.361 2.367 20 5 DEBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193940505 201149567 /nfs/dbraw/zinc/14/95/67/201149567.db2.gz WZUVLYVDZMRGAO-LLVKDONJSA-N 1 1 309.322 2.361 20 5 DEBDMO COC[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610605198 361430133 /nfs/dbraw/zinc/43/01/33/361430133.db2.gz PWPUZAKGYDGZLD-CYBMUJFWSA-N 1 1 318.333 2.256 20 5 DEBDMO COC[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610605198 361430138 /nfs/dbraw/zinc/43/01/38/361430138.db2.gz PWPUZAKGYDGZLD-CYBMUJFWSA-N 1 1 318.333 2.256 20 5 DEBDMO CC[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1C ZINC000611087775 361524637 /nfs/dbraw/zinc/52/46/37/361524637.db2.gz JEWZKOKIRIRKAO-NSHDSACASA-N 1 1 316.361 2.242 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1C ZINC000611087775 361524640 /nfs/dbraw/zinc/52/46/40/361524640.db2.gz JEWZKOKIRIRKAO-NSHDSACASA-N 1 1 316.361 2.242 20 5 DEBDMO CC(C)(C)C[N@@H+](CCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611269631 361566537 /nfs/dbraw/zinc/56/65/37/361566537.db2.gz RYVYXENJCIFQDZ-UHFFFAOYSA-N 1 1 324.377 2.206 20 5 DEBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000611204989 361549337 /nfs/dbraw/zinc/54/93/37/361549337.db2.gz DWSUEXXTWXQPLP-CYBMUJFWSA-N 1 1 321.377 2.282 20 5 DEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611303628 361577182 /nfs/dbraw/zinc/57/71/82/361577182.db2.gz PMZDRGMBWHYWMR-QWRGUYRKSA-N 1 1 304.350 2.260 20 5 DEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194466940 201232843 /nfs/dbraw/zinc/23/28/43/201232843.db2.gz IGVQJNONJKUNHJ-NSHDSACASA-N 1 1 316.361 2.474 20 5 DEBDMO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@@H]1O ZINC000275516303 212387811 /nfs/dbraw/zinc/38/78/11/212387811.db2.gz UIKYNBYRWLNWLH-AWEZNQCLSA-N 1 1 322.361 2.054 20 5 DEBDMO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@@H]1O ZINC000275516303 212387814 /nfs/dbraw/zinc/38/78/14/212387814.db2.gz UIKYNBYRWLNWLH-AWEZNQCLSA-N 1 1 322.361 2.054 20 5 DEBDMO C[N@@H+]1CC=C(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000271790677 209217895 /nfs/dbraw/zinc/21/78/95/209217895.db2.gz IYTCUSXKTBGEFY-UHFFFAOYSA-N 1 1 316.361 2.153 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000451549179 243099757 /nfs/dbraw/zinc/09/97/57/243099757.db2.gz PCFOPJAXRDIEGT-MRXNPFEDSA-N 1 1 319.405 2.106 20 5 DEBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000093839959 193316733 /nfs/dbraw/zinc/31/67/33/193316733.db2.gz IKEBXOLGOGZLSQ-NSHDSACASA-N 1 1 310.350 2.080 20 5 DEBDMO Cc1c([C@H](C)NC[C@@H]2CCC[N@@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000453271401 245041028 /nfs/dbraw/zinc/04/10/28/245041028.db2.gz UFXNXUGGSNONFK-GJZGRUSLSA-N 1 1 321.421 2.401 20 5 DEBDMO Cc1c([C@H](C)NC[C@@H]2CCC[N@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000453271401 245041038 /nfs/dbraw/zinc/04/10/38/245041038.db2.gz UFXNXUGGSNONFK-GJZGRUSLSA-N 1 1 321.421 2.401 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000274898277 212019112 /nfs/dbraw/zinc/01/91/12/212019112.db2.gz ONXIYOHRNKOFAV-LBPRGKRZSA-N 1 1 306.366 2.285 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([N@@H+](C)CCCO)CC1 ZINC000266513154 205399971 /nfs/dbraw/zinc/39/99/71/205399971.db2.gz FGMURFFSTDZACW-CQSZACIVSA-N 1 1 321.421 2.434 20 5 DEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493335384 249280159 /nfs/dbraw/zinc/28/01/59/249280159.db2.gz LEILRMRKTASKLL-QPBFKRLHSA-N 1 1 321.352 2.300 20 5 DEBDMO CC[N@H+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000493359222 249284004 /nfs/dbraw/zinc/28/40/04/249284004.db2.gz UXCUZABDNUWRRF-GWJCSSMESA-N 1 1 303.362 2.161 20 5 DEBDMO CN1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104661095 194022294 /nfs/dbraw/zinc/02/22/94/194022294.db2.gz HTFUKXYXPZRTHO-UHFFFAOYSA-N 1 1 316.361 2.040 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2Cc3ccccc3C2)c1 ZINC000106305444 194194796 /nfs/dbraw/zinc/19/47/96/194194796.db2.gz JXSFTQKACHLZRJ-INIZCTEOSA-N 1 1 314.341 2.350 20 5 DEBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)C2CC2)ccc1Br ZINC000159423770 197352118 /nfs/dbraw/zinc/35/21/18/197352118.db2.gz ADHRJPIJUOSCQP-UHFFFAOYSA-N 1 1 315.167 2.314 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000269032662 207182025 /nfs/dbraw/zinc/18/20/25/207182025.db2.gz SPIYPEQTJJVYCT-DZGCQCFKSA-N 1 1 317.389 2.460 20 5 DEBDMO CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000340688842 207378564 /nfs/dbraw/zinc/37/85/64/207378564.db2.gz ZSMUQEZXALZURE-LLVKDONJSA-N 1 1 307.350 2.416 20 5 DEBDMO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000340688842 207378572 /nfs/dbraw/zinc/37/85/72/207378572.db2.gz ZSMUQEZXALZURE-LLVKDONJSA-N 1 1 307.350 2.416 20 5 DEBDMO COc1ccc(C[NH+]2CCC(N(C)C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000119830504 195044655 /nfs/dbraw/zinc/04/46/55/195044655.db2.gz MERGJRHHNYZGJE-UHFFFAOYSA-N 1 1 321.377 2.046 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000270222634 208288533 /nfs/dbraw/zinc/28/85/33/208288533.db2.gz ZELGMRWSPYDXMV-TYNCELHUSA-N 1 1 321.377 2.015 20 5 DEBDMO COC(=O)c1cc(C)nc(NCCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000286201780 218846085 /nfs/dbraw/zinc/84/60/85/218846085.db2.gz RROGCKPWYSUTBF-UHFFFAOYSA-N 1 1 324.381 2.227 20 5 DEBDMO C[C@H]1COc2ccccc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000272937068 210322817 /nfs/dbraw/zinc/32/28/17/210322817.db2.gz KQNGONPYQLQAML-LBPRGKRZSA-N 1 1 302.334 2.074 20 5 DEBDMO C[C@H]1COc2ccccc2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000272937068 210322821 /nfs/dbraw/zinc/32/28/21/210322821.db2.gz KQNGONPYQLQAML-LBPRGKRZSA-N 1 1 302.334 2.074 20 5 DEBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000157116647 197163126 /nfs/dbraw/zinc/16/31/26/197163126.db2.gz JGTJTSUJUHOHBE-GFCCVEGCSA-N 1 1 315.329 2.162 20 5 DEBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC000543596806 285297894 /nfs/dbraw/zinc/29/78/94/285297894.db2.gz GCJJUDNSVCJARB-LLVKDONJSA-N 1 1 324.358 2.312 20 5 DEBDMO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000294913930 224306634 /nfs/dbraw/zinc/30/66/34/224306634.db2.gz YGEDHWUJMIDHBG-CYBMUJFWSA-N 1 1 307.350 2.257 20 5 DEBDMO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000294913930 224306636 /nfs/dbraw/zinc/30/66/36/224306636.db2.gz YGEDHWUJMIDHBG-CYBMUJFWSA-N 1 1 307.350 2.257 20 5 DEBDMO COC[C@@]1(C(=O)OC)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451340057 285320105 /nfs/dbraw/zinc/32/01/05/285320105.db2.gz VZKHTSYDCRUUDM-MLGOLLRUSA-N 1 1 322.361 2.167 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1(O)CCOCC1 ZINC000347379986 533406407 /nfs/dbraw/zinc/40/64/07/533406407.db2.gz RSQSAVBPEWHAKI-GXDHUFHOSA-N 1 1 320.389 2.471 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000340696300 132161064 /nfs/dbraw/zinc/16/10/64/132161064.db2.gz LGZXXOYEBRJONC-CHWSQXEVSA-N 1 1 319.405 2.471 20 5 DEBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000356169348 133070141 /nfs/dbraw/zinc/07/01/41/133070141.db2.gz IHVHYHAVJJALMK-LLVKDONJSA-N 1 1 310.373 2.484 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357939646 133110884 /nfs/dbraw/zinc/11/08/84/133110884.db2.gz DHBHINURFPXFEC-QLFBSQMISA-N 1 1 321.425 2.129 20 5 DEBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CC=CCC1 ZINC000362256577 133220038 /nfs/dbraw/zinc/22/00/38/133220038.db2.gz ZBJKJPCCYRSDOR-AWEZNQCLSA-N 1 1 308.382 2.096 20 5 DEBDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000376549808 133300143 /nfs/dbraw/zinc/30/01/43/133300143.db2.gz BEDNJDHARNJNGB-OCCSQVGLSA-N 1 1 301.350 2.269 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000372782472 133366372 /nfs/dbraw/zinc/36/63/72/133366372.db2.gz QWJCVIXPVZYYBU-FVQBIDKESA-N 1 1 323.437 2.155 20 5 DEBDMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000372782472 133366373 /nfs/dbraw/zinc/36/63/73/133366373.db2.gz QWJCVIXPVZYYBU-FVQBIDKESA-N 1 1 323.437 2.155 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000372782472 133366374 /nfs/dbraw/zinc/36/63/74/133366374.db2.gz QWJCVIXPVZYYBU-FVQBIDKESA-N 1 1 323.437 2.155 20 5 DEBDMO CSc1cccc(C(=O)N2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000188754171 145016587 /nfs/dbraw/zinc/01/65/87/145016587.db2.gz QZQPKXVDMZUMQX-UHFFFAOYSA-N 1 1 309.391 2.094 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246236310 145096084 /nfs/dbraw/zinc/09/60/84/145096084.db2.gz HCVZKELCHKZCFN-NUEKZKHPSA-N 1 1 306.362 2.129 20 5 DEBDMO Cn1nncc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000342273938 145587789 /nfs/dbraw/zinc/58/77/89/145587789.db2.gz URXPZPPILFMZEZ-UHFFFAOYSA-N 1 1 313.317 2.273 20 5 DEBDMO COc1ccc(NC(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000346103350 146015910 /nfs/dbraw/zinc/01/59/10/146015910.db2.gz CGEVPTIPAZVOIC-LLVKDONJSA-N 1 1 322.365 2.161 20 5 DEBDMO O=[N+]([O-])c1ccc(OC2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346982221 146174563 /nfs/dbraw/zinc/17/45/63/146174563.db2.gz MVRFWKOOJYZBPW-AWEZNQCLSA-N 1 1 319.405 2.438 20 5 DEBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000112333572 401739074 /nfs/dbraw/zinc/73/90/74/401739074.db2.gz CPLLKFQKUAHEBG-UHFFFAOYSA-N 1 1 308.382 2.098 20 5 DEBDMO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c([N+](=O)[O-])cc1OC ZINC000126660283 401703433 /nfs/dbraw/zinc/70/34/33/401703433.db2.gz WIWVBKUTBBGIMI-FUNVUKJBSA-N 1 1 322.361 2.100 20 5 DEBDMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c([N+](=O)[O-])cc1OC ZINC000126660283 401703435 /nfs/dbraw/zinc/70/34/35/401703435.db2.gz WIWVBKUTBBGIMI-FUNVUKJBSA-N 1 1 322.361 2.100 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000129066729 401798367 /nfs/dbraw/zinc/79/83/67/401798367.db2.gz LRJYVMRZMBKZBA-FZMZJTMJSA-N 1 1 321.352 2.290 20 5 DEBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000127876813 401753830 /nfs/dbraw/zinc/75/38/30/401753830.db2.gz NIYVIZXXVJOVIL-UHFFFAOYSA-N 1 1 319.283 2.295 20 5 DEBDMO NC(=O)CC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116273266 401847061 /nfs/dbraw/zinc/84/70/61/401847061.db2.gz RCVFWWJJBXXGGW-UHFFFAOYSA-N 1 1 311.769 2.336 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCOCC1CC1 ZINC000088599399 401934076 /nfs/dbraw/zinc/93/40/76/401934076.db2.gz XAWMHNKRYRQIHA-GFCCVEGCSA-N 1 1 321.377 2.280 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCOCC1CC1 ZINC000088599399 401934078 /nfs/dbraw/zinc/93/40/78/401934078.db2.gz XAWMHNKRYRQIHA-GFCCVEGCSA-N 1 1 321.377 2.280 20 5 DEBDMO COC(=O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000134218803 401901021 /nfs/dbraw/zinc/90/10/21/401901021.db2.gz PKGBLNMCROJETM-UHFFFAOYSA-N 1 1 322.361 2.391 20 5 DEBDMO COC(=O)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000134218803 401901022 /nfs/dbraw/zinc/90/10/22/401901022.db2.gz PKGBLNMCROJETM-UHFFFAOYSA-N 1 1 322.361 2.391 20 5 DEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134359834 401902004 /nfs/dbraw/zinc/90/20/04/401902004.db2.gz QRDKQXQRCXELDZ-NSHDSACASA-N 1 1 309.341 2.148 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000119459510 401951728 /nfs/dbraw/zinc/95/17/28/401951728.db2.gz MUIWXTVZPGLEKR-BBRMVZONSA-N 1 1 317.389 2.460 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000119477737 401953001 /nfs/dbraw/zinc/95/30/01/401953001.db2.gz XBHKZBPEKYOXLA-LBPRGKRZSA-N 1 1 307.394 2.292 20 5 DEBDMO CCCC[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000121444997 402036220 /nfs/dbraw/zinc/03/62/20/402036220.db2.gz JUWLTNKUFPNDJW-UHFFFAOYSA-N 1 1 323.393 2.326 20 5 DEBDMO CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053245440 402053539 /nfs/dbraw/zinc/05/35/39/402053539.db2.gz WMWKOGPSKXMMFG-LLVKDONJSA-N 1 1 311.769 2.414 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000055400521 402080872 /nfs/dbraw/zinc/08/08/72/402080872.db2.gz PTXZAWQDAOETLI-NWDGAFQWSA-N 1 1 320.393 2.027 20 5 DEBDMO C[NH+](C)[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccco1 ZINC000064620761 402120509 /nfs/dbraw/zinc/12/05/09/402120509.db2.gz UTMIATUCOUSMNH-CYBMUJFWSA-N 1 1 321.308 2.360 20 5 DEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1(O)CCCC1 ZINC000152328399 402089875 /nfs/dbraw/zinc/08/98/75/402089875.db2.gz HSXWUBGJZYWLJO-GFCCVEGCSA-N 1 1 321.377 2.159 20 5 DEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153904642 402178976 /nfs/dbraw/zinc/17/89/76/402178976.db2.gz ZLLRCCKCLCFSKZ-LRDDRELGSA-N 1 1 319.361 2.034 20 5 DEBDMO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153979324 402184233 /nfs/dbraw/zinc/18/42/33/402184233.db2.gz YPTZHPLBQDFFBE-CYBMUJFWSA-N 1 1 323.418 2.240 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1 ZINC000153769964 402169610 /nfs/dbraw/zinc/16/96/10/402169610.db2.gz HUSKKSVUPVLXIF-OAHLLOKOSA-N 1 1 321.377 2.016 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1 ZINC000153769964 402169611 /nfs/dbraw/zinc/16/96/11/402169611.db2.gz HUSKKSVUPVLXIF-OAHLLOKOSA-N 1 1 321.377 2.016 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000153796393 402171422 /nfs/dbraw/zinc/17/14/22/402171422.db2.gz LDMBLICZMYHRDX-UHFFFAOYSA-N 1 1 320.324 2.401 20 5 DEBDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000108494604 402255173 /nfs/dbraw/zinc/25/51/73/402255173.db2.gz DBGAZEHWHFTBEG-GFCCVEGCSA-N 1 1 306.366 2.367 20 5 DEBDMO CCC(C)(C)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000156721129 402287394 /nfs/dbraw/zinc/28/73/94/402287394.db2.gz RWQBRZJMNOIEFC-KBPBESRZSA-N 1 1 310.398 2.053 20 5 DEBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000184769796 402298877 /nfs/dbraw/zinc/29/88/77/402298877.db2.gz MAFXDAJOZGYPBV-PWSUYJOCSA-N 1 1 309.322 2.238 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000177057000 402365126 /nfs/dbraw/zinc/36/51/26/402365126.db2.gz QMCQCSNNLRPRJS-NXEZZACHSA-N 1 1 307.325 2.089 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000159696569 402329165 /nfs/dbraw/zinc/32/91/65/402329165.db2.gz HIXQKQXHICIGPN-CYBMUJFWSA-N 1 1 320.393 2.393 20 5 DEBDMO COc1c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)nn1C ZINC000159755554 402330358 /nfs/dbraw/zinc/33/03/58/402330358.db2.gz UJDIFHHDQLIRQV-SNVBAGLBSA-N 1 1 304.350 2.496 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000178152934 402465742 /nfs/dbraw/zinc/46/57/42/402465742.db2.gz KHIGMBAUVYOIKE-CYBMUJFWSA-N 1 1 308.382 2.067 20 5 DEBDMO C[C@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000245861006 402492076 /nfs/dbraw/zinc/49/20/76/402492076.db2.gz KTPRGPSOLSLYHF-FZMZJTMJSA-N 1 1 323.418 2.209 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000247310095 402563099 /nfs/dbraw/zinc/56/30/99/402563099.db2.gz HJZSXYXAMAQODW-QMTHXVAHSA-N 1 1 309.341 2.146 20 5 DEBDMO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247504872 402570177 /nfs/dbraw/zinc/57/01/77/402570177.db2.gz VEWDMRFRLQSUMV-DGCLKSJQSA-N 1 1 321.377 2.016 20 5 DEBDMO CC[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246258956 402521509 /nfs/dbraw/zinc/52/15/09/402521509.db2.gz QMUGWEJUHGETGE-DOMZBBRYSA-N 1 1 303.362 2.432 20 5 DEBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000189432639 402536706 /nfs/dbraw/zinc/53/67/06/402536706.db2.gz VAGATJQUQRMNCW-GFCCVEGCSA-N 1 1 322.283 2.349 20 5 DEBDMO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000189432639 402536707 /nfs/dbraw/zinc/53/67/07/402536707.db2.gz VAGATJQUQRMNCW-GFCCVEGCSA-N 1 1 322.283 2.349 20 5 DEBDMO COC(=O)C[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000179126229 402574320 /nfs/dbraw/zinc/57/43/20/402574320.db2.gz LORWGMKBHBVIJI-LBPRGKRZSA-N 1 1 308.334 2.001 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171460615 402588262 /nfs/dbraw/zinc/58/82/62/402588262.db2.gz IHSAWFBVLYAZAC-HNNXBMFYSA-N 1 1 305.378 2.128 20 5 DEBDMO COc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000248875563 402612264 /nfs/dbraw/zinc/61/22/64/402612264.db2.gz QQPUWECGNZFXFR-DGCLKSJQSA-N 1 1 321.377 2.016 20 5 DEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC000192707702 402745129 /nfs/dbraw/zinc/74/51/29/402745129.db2.gz XYULHJIPKALZLV-OAHLLOKOSA-N 1 1 316.357 2.467 20 5 DEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC000192707702 402745131 /nfs/dbraw/zinc/74/51/31/402745131.db2.gz XYULHJIPKALZLV-OAHLLOKOSA-N 1 1 316.357 2.467 20 5 DEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC000174739635 402754707 /nfs/dbraw/zinc/75/47/07/402754707.db2.gz MBRJOBJSAKYCSL-HZPDHXFCSA-N 1 1 322.409 2.197 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000175314216 402796690 /nfs/dbraw/zinc/79/66/90/402796690.db2.gz PGNSLVJFFMSLGN-LBPRGKRZSA-N 1 1 321.377 2.081 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2nonc21 ZINC000263921895 402820552 /nfs/dbraw/zinc/82/05/52/402820552.db2.gz VKUFKSDVOGPJDA-VIFPVBQESA-N 1 1 314.305 2.238 20 5 DEBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+]1CCC[C@H](C)C1 ZINC000175989747 402846283 /nfs/dbraw/zinc/84/62/83/402846283.db2.gz NOHGMSHGURSQBO-RYUDHWBXSA-N 1 1 320.393 2.027 20 5 DEBDMO C[N@@H+]1C[C@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C[C@H]2C1 ZINC000278270697 402862404 /nfs/dbraw/zinc/86/24/04/402862404.db2.gz AQSMWCPVSOGOQM-DTORHVGOSA-N 1 1 316.283 2.006 20 5 DEBDMO CC[N@@H+](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000265729027 402943908 /nfs/dbraw/zinc/94/39/08/402943908.db2.gz AKODDVDWIFXLGR-UHFFFAOYSA-N 1 1 319.405 2.473 20 5 DEBDMO CC(C)[C@H](O)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272552744 402951970 /nfs/dbraw/zinc/95/19/70/402951970.db2.gz RONZQYBZOTWGGZ-CABCVRRESA-N 1 1 318.377 2.024 20 5 DEBDMO CC(C)Oc1nc(N(C)[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000566571599 292253233 /nfs/dbraw/zinc/25/32/33/292253233.db2.gz GGXXRVNBEGCGLZ-LBPRGKRZSA-N 1 1 308.382 2.307 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000279842626 402963801 /nfs/dbraw/zinc/96/38/01/402963801.db2.gz AQQFSILISBBRAF-MRXNPFEDSA-N 1 1 321.377 2.079 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000279842626 402963803 /nfs/dbraw/zinc/96/38/03/402963803.db2.gz AQQFSILISBBRAF-MRXNPFEDSA-N 1 1 321.377 2.079 20 5 DEBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000265512006 402925564 /nfs/dbraw/zinc/92/55/64/402925564.db2.gz AOHHLJFUXMLXHF-GFCCVEGCSA-N 1 1 311.769 2.001 20 5 DEBDMO CCOC(=O)c1ccnc(NCCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000265623189 402934430 /nfs/dbraw/zinc/93/44/30/402934430.db2.gz YJXIDVKJZVBUEM-UHFFFAOYSA-N 1 1 324.381 2.309 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266992122 403006241 /nfs/dbraw/zinc/00/62/41/403006241.db2.gz WBJWIKCBXHPIPA-UHFFFAOYSA-N 1 1 322.409 2.168 20 5 DEBDMO O=C1CCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267043626 403010562 /nfs/dbraw/zinc/01/05/62/403010562.db2.gz PMNGQPWGLDVQPQ-UHFFFAOYSA-N 1 1 321.352 2.321 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000268240634 403065630 /nfs/dbraw/zinc/06/56/30/403065630.db2.gz UXMXKOQIGNDYDM-ZANVPECISA-N 1 1 323.780 2.461 20 5 DEBDMO Cc1nc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268465537 403085681 /nfs/dbraw/zinc/08/56/81/403085681.db2.gz IECYEXFVMHUVRK-TXEJJXNPSA-N 1 1 308.382 2.209 20 5 DEBDMO CC(C)C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276286921 403160989 /nfs/dbraw/zinc/16/09/89/403160989.db2.gz GXXIAILHUWQLEH-UHFFFAOYSA-N 1 1 323.368 2.471 20 5 DEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000269328747 403131374 /nfs/dbraw/zinc/13/13/74/403131374.db2.gz AXKPCBUPBRYFFK-SNVBAGLBSA-N 1 1 316.304 2.401 20 5 DEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000269328747 403131375 /nfs/dbraw/zinc/13/13/75/403131375.db2.gz AXKPCBUPBRYFFK-SNVBAGLBSA-N 1 1 316.304 2.401 20 5 DEBDMO CCCc1[nH+]ccn1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000269357919 403133674 /nfs/dbraw/zinc/13/36/74/403133674.db2.gz LUAVBLRZIFGPKA-UHFFFAOYSA-N 1 1 302.334 2.407 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000269539666 403147788 /nfs/dbraw/zinc/14/77/88/403147788.db2.gz BUYMOYRRQNWBMD-NSHDSACASA-N 1 1 317.345 2.065 20 5 DEBDMO C[C@@H](CO)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000276498488 403181501 /nfs/dbraw/zinc/18/15/01/403181501.db2.gz XDCDRWRNBUFSTQ-LBPRGKRZSA-N 1 1 321.377 2.159 20 5 DEBDMO CSc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000330626087 403291919 /nfs/dbraw/zinc/29/19/19/403291919.db2.gz IMNOEVXCZWJPCO-WDEREUQCSA-N 1 1 323.418 2.481 20 5 DEBDMO CSc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000330626087 403291922 /nfs/dbraw/zinc/29/19/22/403291922.db2.gz IMNOEVXCZWJPCO-WDEREUQCSA-N 1 1 323.418 2.481 20 5 DEBDMO CC(C)([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000292114777 403296809 /nfs/dbraw/zinc/29/68/09/403296809.db2.gz JKIBROAUIVIHJB-UHFFFAOYSA-N 1 1 319.283 2.098 20 5 DEBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277927792 403271823 /nfs/dbraw/zinc/27/18/23/403271823.db2.gz NNSNQKAQEOSITH-INIZCTEOSA-N 1 1 317.389 2.270 20 5 DEBDMO COc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331054363 403317804 /nfs/dbraw/zinc/31/78/04/403317804.db2.gz JWUNORYTPGPVDD-DGCLKSJQSA-N 1 1 321.377 2.016 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000292200003 403319496 /nfs/dbraw/zinc/31/94/96/403319496.db2.gz SCSOOJNXYIBMHC-WBVHZDCISA-N 1 1 320.389 2.377 20 5 DEBDMO COc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000331106637 403330245 /nfs/dbraw/zinc/33/02/45/403330245.db2.gz QZZLWROMPLTYIW-WDEREUQCSA-N 1 1 321.377 2.076 20 5 DEBDMO COc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000331106637 403330249 /nfs/dbraw/zinc/33/02/49/403330249.db2.gz QZZLWROMPLTYIW-WDEREUQCSA-N 1 1 321.377 2.076 20 5 DEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343052075 403445207 /nfs/dbraw/zinc/44/52/07/403445207.db2.gz JANYQMAJIBCDOR-ZDUSSCGKSA-N 1 1 320.393 2.226 20 5 DEBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000286451749 403529368 /nfs/dbraw/zinc/52/93/68/403529368.db2.gz JWLQQFQWOKMRJH-NCZBFZFDSA-N 1 1 318.373 2.329 20 5 DEBDMO CC[N@H+](CCOC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000299144183 403533809 /nfs/dbraw/zinc/53/38/09/403533809.db2.gz UPQRLEWLQCCIKU-UHFFFAOYSA-N 1 1 306.322 2.113 20 5 DEBDMO CC[N@@H+](CCOC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000299144183 403533814 /nfs/dbraw/zinc/53/38/14/403533814.db2.gz UPQRLEWLQCCIKU-UHFFFAOYSA-N 1 1 306.322 2.113 20 5 DEBDMO CC(C)[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000343204049 403494513 /nfs/dbraw/zinc/49/45/13/403494513.db2.gz IGQXMDVWBLNGOR-LLVKDONJSA-N 1 1 321.406 2.376 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299022327 403502821 /nfs/dbraw/zinc/50/28/21/403502821.db2.gz MCYDUFSYLQHRFO-GFCCVEGCSA-N 1 1 308.382 2.307 20 5 DEBDMO CO[C@]1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332195050 403511023 /nfs/dbraw/zinc/51/10/23/403511023.db2.gz CGMBOFQRFABKEP-OAHLLOKOSA-N 1 1 304.350 2.472 20 5 DEBDMO CO[C@]1(C)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332195050 403511027 /nfs/dbraw/zinc/51/10/27/403511027.db2.gz CGMBOFQRFABKEP-OAHLLOKOSA-N 1 1 304.350 2.472 20 5 DEBDMO CC[N@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)C1 ZINC000343272665 403521652 /nfs/dbraw/zinc/52/16/52/403521652.db2.gz DZQSIYKCTOPXKQ-LLVKDONJSA-N 1 1 317.349 2.175 20 5 DEBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(F)cn3)CC2)n1 ZINC000332461506 403588554 /nfs/dbraw/zinc/58/85/54/403588554.db2.gz QGGPDKCAXGYFQC-UHFFFAOYSA-N 1 1 305.313 2.163 20 5 DEBDMO C[C@@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCC[N@H+]1C ZINC000343455845 403597624 /nfs/dbraw/zinc/59/76/24/403597624.db2.gz JVQIASYHOJZFLC-PWSUYJOCSA-N 1 1 318.377 2.374 20 5 DEBDMO CCNc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343424035 403583560 /nfs/dbraw/zinc/58/35/60/403583560.db2.gz CDUNEPFLBDMXIT-AAEUAGOBSA-N 1 1 320.393 2.239 20 5 DEBDMO CC[C@H](C)[N@@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000287492274 403609803 /nfs/dbraw/zinc/60/98/03/403609803.db2.gz SUHMITYRSSOVDM-ZDUSSCGKSA-N 1 1 323.393 2.325 20 5 DEBDMO Cc1ccnc(NC[C@H](CC(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000301292469 403610942 /nfs/dbraw/zinc/61/09/42/403610942.db2.gz NZZMLIJFGQCENQ-AWEZNQCLSA-N 1 1 322.409 2.457 20 5 DEBDMO CC[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000287545055 403619628 /nfs/dbraw/zinc/61/96/28/403619628.db2.gz WAJUSKVTWIHOKQ-UHFFFAOYSA-N 1 1 321.377 2.222 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000343563290 403638798 /nfs/dbraw/zinc/63/87/98/403638798.db2.gz GTBTXXSVXZTJKS-CYBMUJFWSA-N 1 1 321.377 2.208 20 5 DEBDMO C[C@H]1[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000347262629 403641196 /nfs/dbraw/zinc/64/11/96/403641196.db2.gz NCZXNFMGCUQXSK-ZANVPECISA-N 1 1 310.329 2.338 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000294169069 403664180 /nfs/dbraw/zinc/66/41/80/403664180.db2.gz OIOYQISSTBEGTJ-KRWDZBQOSA-N 1 1 317.389 2.082 20 5 DEBDMO CCOc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000301774725 403677870 /nfs/dbraw/zinc/67/78/70/403677870.db2.gz QJCIYYPBZVVLCK-XHDPSFHLSA-N 1 1 309.366 2.125 20 5 DEBDMO CCOc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000301774725 403677871 /nfs/dbraw/zinc/67/78/71/403677871.db2.gz QJCIYYPBZVVLCK-XHDPSFHLSA-N 1 1 309.366 2.125 20 5 DEBDMO C[C@@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343581387 403649694 /nfs/dbraw/zinc/64/96/94/403649694.db2.gz ZCOOLMPNNRVHMF-DOMZBBRYSA-N 1 1 319.405 2.471 20 5 DEBDMO CC[C@H]1CN(c2cccc(C)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000302521923 403711365 /nfs/dbraw/zinc/71/13/65/403711365.db2.gz XXQFPUQDPVGJDD-AWEZNQCLSA-N 1 1 307.394 2.450 20 5 DEBDMO C[C@H]1C[C@H](O)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340967377 403717418 /nfs/dbraw/zinc/71/74/18/403717418.db2.gz KVYZTYRAMWCTOD-HZMBPMFUSA-N 1 1 303.318 2.205 20 5 DEBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340967377 403717421 /nfs/dbraw/zinc/71/74/21/403717421.db2.gz KVYZTYRAMWCTOD-HZMBPMFUSA-N 1 1 303.318 2.205 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000291775425 286381800 /nfs/dbraw/zinc/38/18/00/286381800.db2.gz FDGQAYVHMUQBPO-LLVKDONJSA-N 1 1 309.366 2.062 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H](C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000295160414 403779873 /nfs/dbraw/zinc/77/98/73/403779873.db2.gz NDQZCGNHUPFDMW-GFCCVEGCSA-N 1 1 323.393 2.323 20 5 DEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CC2CCCCC2)C2CC2)c1 ZINC000304332656 403781852 /nfs/dbraw/zinc/78/18/52/403781852.db2.gz ODZIGKGOJGPCSZ-MRXNPFEDSA-N 1 1 322.409 2.197 20 5 DEBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000347648799 403791083 /nfs/dbraw/zinc/79/10/83/403791083.db2.gz JFZUOMNQKWRCRM-INIZCTEOSA-N 1 1 319.405 2.376 20 5 DEBDMO Cc1cc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000361813922 403882441 /nfs/dbraw/zinc/88/24/41/403882441.db2.gz LDLZZTSULSMKAK-UHFFFAOYSA-N 1 1 307.331 2.123 20 5 DEBDMO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000336864381 403938516 /nfs/dbraw/zinc/93/85/16/403938516.db2.gz NITSCGSTLPISKF-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H](C(=O)N1CC[N@@H+](C)CC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000347916604 403949250 /nfs/dbraw/zinc/94/92/50/403949250.db2.gz TVXRYYHXWMBFAU-NSHDSACASA-N 1 1 323.368 2.390 20 5 DEBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000369067954 403956217 /nfs/dbraw/zinc/95/62/17/403956217.db2.gz VPHIAQDUSWSRGL-NSHDSACASA-N 1 1 309.391 2.403 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000295556784 403988178 /nfs/dbraw/zinc/98/81/78/403988178.db2.gz PWEVUVJCXOQZDP-LBPRGKRZSA-N 1 1 323.393 2.453 20 5 DEBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000337418282 404010253 /nfs/dbraw/zinc/01/02/53/404010253.db2.gz ADXPLJKTZSBBBK-ZUZCIYMTSA-N 1 1 310.325 2.365 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000290086642 404035431 /nfs/dbraw/zinc/03/54/31/404035431.db2.gz ZJXUYGPCPVUTOI-LLVKDONJSA-N 1 1 324.381 2.454 20 5 DEBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000362949860 404020252 /nfs/dbraw/zinc/02/02/52/404020252.db2.gz UMJNGDJGYHEHKD-SMDDNHRTSA-N 1 1 305.378 2.144 20 5 DEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000289463010 403975049 /nfs/dbraw/zinc/97/50/49/403975049.db2.gz QFNJTYGFAAESQF-ZBFHGGJFSA-N 1 1 320.389 2.457 20 5 DEBDMO CNc1c(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000322296243 404083813 /nfs/dbraw/zinc/08/38/13/404083813.db2.gz YZOAZHKHOJTAMP-GFCCVEGCSA-N 1 1 320.393 2.097 20 5 DEBDMO C[C@@H]1CC(C)(C)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412020272 404059190 /nfs/dbraw/zinc/05/91/90/404059190.db2.gz ICKJKMGOJBZLDR-OCCSQVGLSA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412064928 404103283 /nfs/dbraw/zinc/10/32/83/404103283.db2.gz CHYUBJUPLQOHGH-QWHCGFSZSA-N 1 1 321.377 2.016 20 5 DEBDMO C[C@H]1C[N@H+](C2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000341692551 404114992 /nfs/dbraw/zinc/11/49/92/404114992.db2.gz IXOGBEHAUSBFIF-LBPRGKRZSA-N 1 1 323.368 2.423 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000344442325 404140883 /nfs/dbraw/zinc/14/08/83/404140883.db2.gz ZCRJHFFSUCCNMZ-TXEJJXNPSA-N 1 1 321.377 2.158 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H](C)C1 ZINC000341800561 404181235 /nfs/dbraw/zinc/18/12/35/404181235.db2.gz QZWIFEXTXJERLN-LLVKDONJSA-N 1 1 316.361 2.242 20 5 DEBDMO Cn1cc(C[C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000370006492 404301153 /nfs/dbraw/zinc/30/11/53/404301153.db2.gz CVDSFDLABLWQKK-HNNXBMFYSA-N 1 1 314.389 2.435 20 5 DEBDMO Cc1c(NC(=O)CC[N@@H+]2CCOCC23CC3)cccc1[N+](=O)[O-] ZINC000338599270 404431598 /nfs/dbraw/zinc/43/15/98/404431598.db2.gz LWKXLTJXRZKJJF-UHFFFAOYSA-N 1 1 319.361 2.097 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+]2CCOCC23CC3)cccc1[N+](=O)[O-] ZINC000338599270 404431603 /nfs/dbraw/zinc/43/16/03/404431603.db2.gz LWKXLTJXRZKJJF-UHFFFAOYSA-N 1 1 319.361 2.097 20 5 DEBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000413299260 404422717 /nfs/dbraw/zinc/42/27/17/404422717.db2.gz HHBOPKMXSFIYCA-MJVIPROJSA-N 1 1 308.357 2.295 20 5 DEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000352673978 404537465 /nfs/dbraw/zinc/53/74/65/404537465.db2.gz OYOSDGQWPUMKFV-GLQYFDAESA-N 1 1 321.377 2.075 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000330525139 404680414 /nfs/dbraw/zinc/68/04/14/404680414.db2.gz CICMOYBFABQAFC-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000330525139 404680418 /nfs/dbraw/zinc/68/04/18/404680418.db2.gz CICMOYBFABQAFC-LLVKDONJSA-N 1 1 323.418 2.483 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365562191 404691541 /nfs/dbraw/zinc/69/15/41/404691541.db2.gz ZLIBGSNMQKUNCB-GFCCVEGCSA-N 1 1 301.350 2.416 20 5 DEBDMO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000356849701 404707148 /nfs/dbraw/zinc/70/71/48/404707148.db2.gz VMVZMOSBSFSPDW-DGCLKSJQSA-N 1 1 321.377 2.245 20 5 DEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000356849701 404707152 /nfs/dbraw/zinc/70/71/52/404707152.db2.gz VMVZMOSBSFSPDW-DGCLKSJQSA-N 1 1 321.377 2.245 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356869838 404712601 /nfs/dbraw/zinc/71/26/01/404712601.db2.gz IDYWSGMIBPBIJO-RYUDHWBXSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356869838 404712604 /nfs/dbraw/zinc/71/26/04/404712604.db2.gz IDYWSGMIBPBIJO-RYUDHWBXSA-N 1 1 321.377 2.158 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2ccncc2)CC1 ZINC000375423863 404723128 /nfs/dbraw/zinc/72/31/28/404723128.db2.gz DXRMPPTZYSUJKP-UHFFFAOYSA-N 1 1 301.350 2.103 20 5 DEBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000377401928 404837612 /nfs/dbraw/zinc/83/76/12/404837612.db2.gz PZTPZMWEFPTJFF-CMSWKTDVSA-N 1 1 318.373 2.329 20 5 DEBDMO COc1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000366736095 404839597 /nfs/dbraw/zinc/83/95/97/404839597.db2.gz AVKCHSUMOSKLCR-LLVKDONJSA-N 1 1 302.334 2.331 20 5 DEBDMO C[C@H](C[C@H](C)O)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353682560 404918559 /nfs/dbraw/zinc/91/85/59/404918559.db2.gz OGIGEKADKZFTBG-XUJVJEKNSA-N 1 1 318.377 2.167 20 5 DEBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408091879 405110471 /nfs/dbraw/zinc/11/04/71/405110471.db2.gz XSXJPMTXNGQXOI-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408091879 405110476 /nfs/dbraw/zinc/11/04/76/405110476.db2.gz XSXJPMTXNGQXOI-VHSXEESVSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000408276817 405159702 /nfs/dbraw/zinc/15/97/02/405159702.db2.gz LMACBMXFCUKWIQ-MFKMUULPSA-N 1 1 322.340 2.434 20 5 DEBDMO COCCCC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419392955 405247159 /nfs/dbraw/zinc/24/71/59/405247159.db2.gz STZJVIOUKFXGPT-UHFFFAOYSA-N 1 1 309.366 2.282 20 5 DEBDMO Cc1c(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425620743 405308391 /nfs/dbraw/zinc/30/83/91/405308391.db2.gz JMFIAQBFYSYGPC-SWLSCSKDSA-N 1 1 318.377 2.461 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000440932299 405331268 /nfs/dbraw/zinc/33/12/68/405331268.db2.gz MSBWUYRZYHZPQA-JOYOIKCWSA-N 1 1 307.325 2.089 20 5 DEBDMO [NH3+]C[C@@H](NCCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000420360496 405331494 /nfs/dbraw/zinc/33/14/94/405331494.db2.gz HFIQCCCVGBXBAD-CQSZACIVSA-N 1 1 307.394 2.471 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000446487074 405383017 /nfs/dbraw/zinc/38/30/17/405383017.db2.gz YZVPJWLVQIXJIC-RYUDHWBXSA-N 1 1 306.366 2.460 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000427391786 405403496 /nfs/dbraw/zinc/40/34/96/405403496.db2.gz PKDAEDLCXQNSFS-VXGBXAGGSA-N 1 1 321.377 2.158 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420929089 405407526 /nfs/dbraw/zinc/40/75/26/405407526.db2.gz CZZCZMMNFVPZMU-TZMCWYRMSA-N 1 1 308.378 2.436 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420929089 405407530 /nfs/dbraw/zinc/40/75/30/405407530.db2.gz CZZCZMMNFVPZMU-TZMCWYRMSA-N 1 1 308.378 2.436 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420953571 405414301 /nfs/dbraw/zinc/41/43/01/405414301.db2.gz SVYRYDWTYSMJDW-SNVBAGLBSA-N 1 1 306.288 2.456 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426482468 405363248 /nfs/dbraw/zinc/36/32/48/405363248.db2.gz LFSLZPPOUBYWKH-SMDDNHRTSA-N 1 1 319.361 2.416 20 5 DEBDMO CC(=O)N[C@@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000421391743 405485171 /nfs/dbraw/zinc/48/51/71/405485171.db2.gz PJJCAIRLHHHKEC-LDCOFTPGSA-N 1 1 303.362 2.209 20 5 DEBDMO CC(=O)N[C@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000421391742 405486215 /nfs/dbraw/zinc/48/62/15/405486215.db2.gz PJJCAIRLHHHKEC-JQVXPOPVSA-N 1 1 303.362 2.209 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000556751181 405523977 /nfs/dbraw/zinc/52/39/77/405523977.db2.gz ANRDSYHCQYVMHF-UHFFFAOYSA-N 1 1 314.345 2.366 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000421712915 405608038 /nfs/dbraw/zinc/60/80/38/405608038.db2.gz RSGAOYZGQRIFQZ-OAHLLOKOSA-N 1 1 305.378 2.080 20 5 DEBDMO CNc1c(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457093342 405695381 /nfs/dbraw/zinc/69/53/81/405695381.db2.gz NZGBUHRQDSSERS-LBPRGKRZSA-N 1 1 320.393 2.191 20 5 DEBDMO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457123536 405709952 /nfs/dbraw/zinc/70/99/52/405709952.db2.gz PCZNNQSUXKXJIH-CYBMUJFWSA-N 1 1 321.377 2.158 20 5 DEBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CC2 ZINC000583999210 405805813 /nfs/dbraw/zinc/80/58/13/405805813.db2.gz ZHURUZZPGSFCNQ-JTQLQIEISA-N 1 1 318.308 2.440 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496343137 405964477 /nfs/dbraw/zinc/96/44/77/405964477.db2.gz LJLAUYAKINEEFI-CHWSQXEVSA-N 1 1 319.361 2.430 20 5 DEBDMO Cc1cc(NC[C@@H]2CCC[N@H+]2CCCO)c(F)cc1[N+](=O)[O-] ZINC000450592390 405969880 /nfs/dbraw/zinc/96/98/80/405969880.db2.gz HKZMHGRREORVKW-LBPRGKRZSA-N 1 1 311.357 2.301 20 5 DEBDMO CC(C)[NH+]1CC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000457742454 405980141 /nfs/dbraw/zinc/98/01/41/405980141.db2.gz RNYNPVZWYFFWCT-UHFFFAOYSA-N 1 1 305.378 2.081 20 5 DEBDMO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c3ncccc23)CCO1 ZINC000516161101 406086776 /nfs/dbraw/zinc/08/67/76/406086776.db2.gz LXPBTGZZEARZAV-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c3ncccc23)CCO1 ZINC000516161101 406086778 /nfs/dbraw/zinc/08/67/78/406086778.db2.gz LXPBTGZZEARZAV-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DEBDMO Cn1ccnc1[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000533865676 406163379 /nfs/dbraw/zinc/16/33/79/406163379.db2.gz WESCDPUSNUFMJZ-CYBMUJFWSA-N 1 1 316.361 2.197 20 5 DEBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486907389 406187498 /nfs/dbraw/zinc/18/74/98/406187498.db2.gz FVUISBGWSYTBNO-MLGOLLRUSA-N 1 1 317.389 2.284 20 5 DEBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569884762 406316036 /nfs/dbraw/zinc/31/60/36/406316036.db2.gz YVBZGOFZEWZPQO-MGPQQGTHSA-N 1 1 308.378 2.455 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488762051 406346633 /nfs/dbraw/zinc/34/66/33/406346633.db2.gz ONPULYPXVSWBQH-SGMGOOAPSA-N 1 1 321.425 2.286 20 5 DEBDMO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@H]1C ZINC000489478945 406410683 /nfs/dbraw/zinc/41/06/83/406410683.db2.gz XQOUHOMNGQWOAA-BBRMVZONSA-N 1 1 324.377 2.099 20 5 DEBDMO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@@H]1C ZINC000489478947 406411521 /nfs/dbraw/zinc/41/15/21/406411521.db2.gz XQOUHOMNGQWOAA-CJNGLKHVSA-N 1 1 324.377 2.099 20 5 DEBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000524720095 406454661 /nfs/dbraw/zinc/45/46/61/406454661.db2.gz XPBHAJSVRJKPSW-NSHDSACASA-N 1 1 316.361 2.148 20 5 DEBDMO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000548754303 406549559 /nfs/dbraw/zinc/54/95/59/406549559.db2.gz SRJOLKDHDUCCQV-MLGOLLRUSA-N 1 1 306.362 2.473 20 5 DEBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000548754303 406549562 /nfs/dbraw/zinc/54/95/62/406549562.db2.gz SRJOLKDHDUCCQV-MLGOLLRUSA-N 1 1 306.362 2.473 20 5 DEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCCC[C@@H]3O)C2)nc1 ZINC000571687543 406552790 /nfs/dbraw/zinc/55/27/90/406552790.db2.gz IYORSSPHCPULTP-GUTXKFCHSA-N 1 1 320.393 2.027 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491564595 406624354 /nfs/dbraw/zinc/62/43/54/406624354.db2.gz XUCBWQVVESHZTH-TXNVCOODSA-N 1 1 321.352 2.205 20 5 DEBDMO Cc1nn(C)c(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301263346 229593684 /nfs/dbraw/zinc/59/36/84/229593684.db2.gz VMWZRORTKNJNCF-GRYCIOLGSA-N 1 1 309.414 2.415 20 5 DEBDMO O=[N+]([O-])c1cnc(NCCC[N@H+]2CCc3ccccc3C2)nc1 ZINC000302171968 230140278 /nfs/dbraw/zinc/14/02/78/230140278.db2.gz UZTCCZDLECZTKL-UHFFFAOYSA-N 1 1 313.361 2.245 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC001348565745 1151170678 /nfs/dbraw/zinc/17/06/78/1151170678.db2.gz SIDCPYQWRZCIIC-MVWJERBFSA-N 1 1 301.350 2.223 20 5 DEBDMO CC(C)Oc1nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594546387 425012060 /nfs/dbraw/zinc/01/20/60/425012060.db2.gz JWXYBFMKKRTJDD-OLZOCXBDSA-N 1 1 320.393 2.816 20 5 DEBDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(N)c([N+](=O)[O-])n2)c1 ZINC000596086935 425017546 /nfs/dbraw/zinc/01/75/46/425017546.db2.gz DNESTICXDZPCCW-UHFFFAOYSA-N 1 1 315.377 2.636 20 5 DEBDMO C[C@@H]1C[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000450353695 425070450 /nfs/dbraw/zinc/07/04/50/425070450.db2.gz GHLVRKVXNBBHNB-YPMHNXCESA-N 1 1 300.362 3.038 20 5 DEBDMO Nc1ccnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451553221 425084893 /nfs/dbraw/zinc/08/48/93/425084893.db2.gz XVWNSQXNGXTYLS-CYBMUJFWSA-N 1 1 313.361 2.347 20 5 DEBDMO Nc1ccnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451553221 425084896 /nfs/dbraw/zinc/08/48/96/425084896.db2.gz XVWNSQXNGXTYLS-CYBMUJFWSA-N 1 1 313.361 2.347 20 5 DEBDMO Cc1cc(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000367517765 269078013 /nfs/dbraw/zinc/07/80/13/269078013.db2.gz LMQPDNQHXPCRGC-HNNXBMFYSA-N 1 1 318.421 2.484 20 5 DEBDMO CN(C)C(=O)OC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000495793167 269176469 /nfs/dbraw/zinc/17/64/69/269176469.db2.gz MDWCQXVTDXSZQM-UHFFFAOYSA-N 1 1 307.350 2.257 20 5 DEBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@@H]1C ZINC000489461631 274024846 /nfs/dbraw/zinc/02/48/46/274024846.db2.gz WMJPIQMTAKVECV-CJNGLKHVSA-N 1 1 308.378 2.263 20 5 DEBDMO COCC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000131962721 274034776 /nfs/dbraw/zinc/03/47/76/274034776.db2.gz UOTHYMOHKKUQBF-TXEJJXNPSA-N 1 1 311.357 2.279 20 5 DEBDMO COCC[N@@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000131962721 274034777 /nfs/dbraw/zinc/03/47/77/274034777.db2.gz UOTHYMOHKKUQBF-TXEJJXNPSA-N 1 1 311.357 2.279 20 5 DEBDMO COCCOCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543507 274037176 /nfs/dbraw/zinc/03/71/76/274037176.db2.gz CCXILLCPIXPJJO-OAHLLOKOSA-N 1 1 308.378 2.437 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000366649878 274099833 /nfs/dbraw/zinc/09/98/33/274099833.db2.gz YCQUPARUAAVBSO-UKRRQHHQSA-N 1 1 324.402 2.310 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000266859000 274118395 /nfs/dbraw/zinc/11/83/95/274118395.db2.gz WAEMPFQKTQOKDJ-UHFFFAOYSA-N 1 1 323.393 2.150 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1CCCOC1 ZINC000245499561 274203273 /nfs/dbraw/zinc/20/32/73/274203273.db2.gz YISSRRFFFSXBDW-QWHCGFSZSA-N 1 1 321.377 2.280 20 5 DEBDMO C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1C ZINC000248366758 274304111 /nfs/dbraw/zinc/30/41/11/274304111.db2.gz SNHVWQOJEKHDJZ-JMSVASOKSA-N 1 1 303.362 2.430 20 5 DEBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](CC3CCCCC3)CC2)nc1 ZINC000273584777 275040910 /nfs/dbraw/zinc/04/09/10/275040910.db2.gz GICKOFWYHJKENS-UHFFFAOYSA-N 1 1 319.409 2.477 20 5 DEBDMO CC[N@@H+](C)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000354027554 276070295 /nfs/dbraw/zinc/07/02/95/276070295.db2.gz IPYRHROAFFDGGC-LLVKDONJSA-N 1 1 311.407 2.143 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000269099492 277156553 /nfs/dbraw/zinc/15/65/53/277156553.db2.gz QJGNQHKSXTUZTC-WDEREUQCSA-N 1 1 321.406 2.225 20 5 DEBDMO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000411976178 279341923 /nfs/dbraw/zinc/34/19/23/279341923.db2.gz IANLKEUDSXVXJQ-XFBWCDHKSA-N 1 1 317.389 2.297 20 5 DEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000408092295 280110209 /nfs/dbraw/zinc/11/02/09/280110209.db2.gz YMOTYRRUBUKBGE-QWRGUYRKSA-N 1 1 316.361 2.241 20 5 DEBDMO O=C(CC[N@H+]1CCOCC12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000574658653 326176154 /nfs/dbraw/zinc/17/61/54/326176154.db2.gz OGSBKPKZMUFGOS-UHFFFAOYSA-N 1 1 319.361 2.178 20 5 DEBDMO CC1CCN(c2ccc(-c3nc(C[NH3+])no3)cc2[N+](=O)[O-])CC1 ZINC000575802840 326247072 /nfs/dbraw/zinc/24/70/72/326247072.db2.gz WLRLJQHJHNQJFL-UHFFFAOYSA-N 1 1 317.349 2.340 20 5 DEBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000191006823 536468123 /nfs/dbraw/zinc/46/81/23/536468123.db2.gz JLKLIKVSLMPGQI-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+](CCO)Cc2ccccc2)cc1 ZINC000103140290 527371787 /nfs/dbraw/zinc/37/17/87/527371787.db2.gz JSYXDPBMGSOSAO-UHFFFAOYSA-N 1 1 316.357 2.468 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000130735393 527406164 /nfs/dbraw/zinc/40/61/64/527406164.db2.gz YTEHUHHSZHZBPK-UHFFFAOYSA-N 1 1 320.324 2.401 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000368230575 527488264 /nfs/dbraw/zinc/48/82/64/527488264.db2.gz DUKVZKMSUDPDGF-UMVBOHGHSA-N 1 1 322.409 2.234 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330831768 527931241 /nfs/dbraw/zinc/93/12/41/527931241.db2.gz JYGLSJWUJAIEQM-OKILXGFUSA-N 1 1 307.394 2.388 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299671081 529036469 /nfs/dbraw/zinc/03/64/69/529036469.db2.gz YOTVZSICITUNPP-UHFFFAOYSA-N 1 1 316.361 2.244 20 5 DEBDMO CC(C)N1CC[NH+](CCCn2cc([N+](=O)[O-])c(C3CC3)n2)CC1 ZINC000195049631 529042007 /nfs/dbraw/zinc/04/20/07/529042007.db2.gz WRJQNCIKNAASLC-UHFFFAOYSA-N 1 1 321.425 2.085 20 5 DEBDMO CC[C@@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331720986 529301589 /nfs/dbraw/zinc/30/15/89/529301589.db2.gz KKZCZEQDZNJWMF-CYBMUJFWSA-N 1 1 303.362 2.358 20 5 DEBDMO C[N@@H+](CCC(=O)Nc1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000358271152 536307661 /nfs/dbraw/zinc/30/76/61/536307661.db2.gz DZJOLUKIWBDXFK-UHFFFAOYSA-N 1 1 314.345 2.450 20 5 DEBDMO C[N@H+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000493393331 536398960 /nfs/dbraw/zinc/39/89/60/536398960.db2.gz BRIPFUQNSQOEHE-BQYQJAHWSA-N 1 1 303.362 2.161 20 5 DEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000252656403 536472018 /nfs/dbraw/zinc/47/20/18/536472018.db2.gz GGIOLVZLBIWIGJ-DZGCQCFKSA-N 1 1 303.362 2.151 20 5 DEBDMO CC[N@@H+](CCNCc1ccc(O)c(OC)c1[N+](=O)[O-])C(C)C ZINC000892802851 625616031 /nfs/dbraw/zinc/61/60/31/625616031.db2.gz WGMLMMFUKZHXRN-UHFFFAOYSA-N 1 1 311.382 2.129 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000804775679 623237046 /nfs/dbraw/zinc/23/70/46/623237046.db2.gz LVLLLXOUKKDMOC-LBPRGKRZSA-N 1 1 320.393 2.090 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247197069 623275490 /nfs/dbraw/zinc/27/54/90/623275490.db2.gz VVGXHNLCWGRGTR-CABCVRRESA-N 1 1 321.425 2.335 20 5 DEBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000179454293 625649109 /nfs/dbraw/zinc/64/91/09/625649109.db2.gz TZVYIKMBDBTPFL-GFCCVEGCSA-N 1 1 309.341 2.034 20 5 DEBDMO Cc1csc(C[C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000933125468 624101094 /nfs/dbraw/zinc/10/10/94/624101094.db2.gz HIWFTPMEDIDRJT-LBPRGKRZSA-N 1 1 321.406 2.121 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1[N+](=O)[O-] ZINC000892216450 624849484 /nfs/dbraw/zinc/84/94/84/624849484.db2.gz SJBUUWNUASLGAW-STQMWFEESA-N 1 1 322.361 2.310 20 5 DEBDMO Cc1c(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000929221813 633620705 /nfs/dbraw/zinc/62/07/05/633620705.db2.gz WMXYOIWBZCSQKZ-RISCZKNCSA-N 1 1 304.350 2.071 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000893531551 634195905 /nfs/dbraw/zinc/19/59/05/634195905.db2.gz KYVKKGPSEZCQSX-NSHDSACASA-N 1 1 317.349 2.116 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc3n2CCOC3)c(Cl)c1 ZINC000922003672 635802302 /nfs/dbraw/zinc/80/23/02/635802302.db2.gz JGQOSFGMTGYTCP-UHFFFAOYSA-N 1 1 322.752 2.265 20 5 DEBDMO CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000922157633 635906592 /nfs/dbraw/zinc/90/65/92/635906592.db2.gz AQWOGEYSLNXBRG-VIFPVBQESA-N 1 1 313.304 2.005 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000922157633 635906595 /nfs/dbraw/zinc/90/65/95/635906595.db2.gz AQWOGEYSLNXBRG-VIFPVBQESA-N 1 1 313.304 2.005 20 5 DEBDMO C[C@H]1[C@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000893882302 636055168 /nfs/dbraw/zinc/05/51/68/636055168.db2.gz HHYABGAIMIPOSW-GXTWGEPZSA-N 1 1 315.377 2.403 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)c1[N+](=O)[O-] ZINC000893900163 636057947 /nfs/dbraw/zinc/05/79/47/636057947.db2.gz LYSYLYJDRFPKOT-GXFFZTMASA-N 1 1 310.350 2.166 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)c1[N+](=O)[O-] ZINC000893900163 636057950 /nfs/dbraw/zinc/05/79/50/636057950.db2.gz LYSYLYJDRFPKOT-GXFFZTMASA-N 1 1 310.350 2.166 20 5 DEBDMO C[N@H+]1C[C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@@H]2C1 ZINC000893941688 636070766 /nfs/dbraw/zinc/07/07/66/636070766.db2.gz VGDHDZIMPUMBBY-JOYOIKCWSA-N 1 1 313.304 2.337 20 5 DEBDMO C[C@@H](NC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000894016467 636093238 /nfs/dbraw/zinc/09/32/38/636093238.db2.gz SMSKQWMFQAGRLE-CHWSQXEVSA-N 1 1 320.393 2.391 20 5 DEBDMO CCN1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000922640214 636295766 /nfs/dbraw/zinc/29/57/66/636295766.db2.gz QXWWJYZYJAMNHO-ZDUSSCGKSA-N 1 1 311.769 2.349 20 5 DEBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108303875 636578408 /nfs/dbraw/zinc/57/84/08/636578408.db2.gz IOXWXIREMWDAHX-PXTSUWAFSA-N 1 1 315.373 2.209 20 5 DEBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCCC2CCC2)CC1 ZINC001005383861 636727852 /nfs/dbraw/zinc/72/78/52/636727852.db2.gz WWFCGZRHUIAMPU-HZPDHXFCSA-N 1 1 323.437 2.155 20 5 DEBDMO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000894439751 637039748 /nfs/dbraw/zinc/03/97/48/637039748.db2.gz ZXKSUBASSZNJHK-CHWSQXEVSA-N 1 1 306.366 2.427 20 5 DEBDMO CCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000923317632 637107343 /nfs/dbraw/zinc/10/73/43/637107343.db2.gz AMOCODOZSIBCPK-TZMCWYRMSA-N 1 1 320.393 2.439 20 5 DEBDMO C[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000923389263 637156417 /nfs/dbraw/zinc/15/64/17/637156417.db2.gz USLVYSWEYORPLG-DAXOMENPSA-N 1 1 307.394 2.078 20 5 DEBDMO C/C(=C/C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928436078 637230092 /nfs/dbraw/zinc/23/00/92/637230092.db2.gz IKMBJQRCCMWGNU-RNQRCEHPSA-N 1 1 303.362 2.207 20 5 DEBDMO CC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000895154683 637680562 /nfs/dbraw/zinc/68/05/62/637680562.db2.gz YOKFJGQWQODCJW-GFCCVEGCSA-N 1 1 310.350 2.310 20 5 DEBDMO CC1=NO[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000895309495 637912523 /nfs/dbraw/zinc/91/25/23/637912523.db2.gz BPMDLHFMOFGIRC-LLVKDONJSA-N 1 1 315.276 2.451 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000741586310 637996906 /nfs/dbraw/zinc/99/69/06/637996906.db2.gz SPNWRZQBAJWGOP-SMDDNHRTSA-N 1 1 321.377 2.016 20 5 DEBDMO CCOC(=O)Cc1ccc(N[C@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895734989 638176945 /nfs/dbraw/zinc/17/69/45/638176945.db2.gz BHKCZVIVDRQNNL-YPMHNXCESA-N 1 1 321.377 2.205 20 5 DEBDMO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000896622991 638611463 /nfs/dbraw/zinc/61/14/63/638611463.db2.gz XUCQWGKQCZVSJE-YRGRVCCFSA-N 1 1 320.393 2.090 20 5 DEBDMO Cc1c(CC(=O)NCC[N@@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000749150871 638618856 /nfs/dbraw/zinc/61/88/56/638618856.db2.gz OEDQMCBVKUBKOP-GFCCVEGCSA-N 1 1 305.378 2.046 20 5 DEBDMO Cc1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000749258836 638629779 /nfs/dbraw/zinc/62/97/79/638629779.db2.gz ZHFNXIYFYYKQKG-CQSZACIVSA-N 1 1 305.378 2.204 20 5 DEBDMO C[C@H]1CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752787825 639220497 /nfs/dbraw/zinc/22/04/97/639220497.db2.gz CABYTEZERLENAP-LBPRGKRZSA-N 1 1 304.350 2.136 20 5 DEBDMO C[C@H]1C[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C[C@H]1C ZINC000752792867 639220835 /nfs/dbraw/zinc/22/08/35/639220835.db2.gz MGEFEBPGSANWKF-BETUJISGSA-N 1 1 318.377 2.382 20 5 DEBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000756887091 639710196 /nfs/dbraw/zinc/71/01/96/639710196.db2.gz MTTNLHKJUXUSQW-WFASDCNBSA-N 1 1 316.361 2.403 20 5 DEBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839637217 639787842 /nfs/dbraw/zinc/78/78/42/639787842.db2.gz WBAAXKIEWFBBLT-SNVBAGLBSA-N 1 1 311.769 2.158 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@H](C3CC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000763331788 640531105 /nfs/dbraw/zinc/53/11/05/640531105.db2.gz IWEIMDQZEFDNGW-GFCCVEGCSA-N 1 1 301.350 2.337 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000763336098 640532042 /nfs/dbraw/zinc/53/20/42/640532042.db2.gz YRAQWLKYMWDTGD-LLVKDONJSA-N 1 1 303.318 2.192 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000763336098 640532043 /nfs/dbraw/zinc/53/20/43/640532043.db2.gz YRAQWLKYMWDTGD-LLVKDONJSA-N 1 1 303.318 2.192 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1F ZINC000764569054 640656896 /nfs/dbraw/zinc/65/68/96/640656896.db2.gz DKUUVLQISBGRRP-RISCZKNCSA-N 1 1 323.368 2.455 20 5 DEBDMO CC[N@H+]1C[C@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000766249961 640862795 /nfs/dbraw/zinc/86/27/95/640862795.db2.gz LFHHUXDTJCSOQN-HEHGZKQESA-N 1 1 307.394 2.043 20 5 DEBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000897624790 640875092 /nfs/dbraw/zinc/87/50/92/640875092.db2.gz XYMCQUBDRAAEHW-SCDWMNTPSA-N 1 1 315.373 2.195 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1C ZINC000897856513 640942132 /nfs/dbraw/zinc/94/21/32/640942132.db2.gz OMSWBFVAGWMTOR-TXEJJXNPSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1C ZINC000897856513 640942133 /nfs/dbraw/zinc/94/21/33/640942133.db2.gz OMSWBFVAGWMTOR-TXEJJXNPSA-N 1 1 305.378 2.376 20 5 DEBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H]1CO ZINC000768240383 641062810 /nfs/dbraw/zinc/06/28/10/641062810.db2.gz VLRHAGYQZKFYDM-SECBINFHSA-N 1 1 315.167 2.314 20 5 DEBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@@H]1CO ZINC000768240383 641062812 /nfs/dbraw/zinc/06/28/12/641062812.db2.gz VLRHAGYQZKFYDM-SECBINFHSA-N 1 1 315.167 2.314 20 5 DEBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H](CO)C1 ZINC000769245770 641202475 /nfs/dbraw/zinc/20/24/75/641202475.db2.gz WNJHIUOSZGYJQQ-VIFPVBQESA-N 1 1 315.167 2.172 20 5 DEBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@H](CO)C1 ZINC000769245770 641202482 /nfs/dbraw/zinc/20/24/82/641202482.db2.gz WNJHIUOSZGYJQQ-VIFPVBQESA-N 1 1 315.167 2.172 20 5 DEBDMO C[N@@H+]1CCC[C@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000898462926 641669236 /nfs/dbraw/zinc/66/92/36/641669236.db2.gz VOCSWDYRTAHGDE-ZDUSSCGKSA-N 1 1 300.318 2.176 20 5 DEBDMO C[N@H+]1CCC[C@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000898462926 641669239 /nfs/dbraw/zinc/66/92/39/641669239.db2.gz VOCSWDYRTAHGDE-ZDUSSCGKSA-N 1 1 300.318 2.176 20 5 DEBDMO C[N@@H+]1CCC[C@@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000898462923 641669321 /nfs/dbraw/zinc/66/93/21/641669321.db2.gz VOCSWDYRTAHGDE-CYBMUJFWSA-N 1 1 300.318 2.176 20 5 DEBDMO C[N@H+]1CCC[C@@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000898462923 641669324 /nfs/dbraw/zinc/66/93/24/641669324.db2.gz VOCSWDYRTAHGDE-CYBMUJFWSA-N 1 1 300.318 2.176 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000776275973 642153307 /nfs/dbraw/zinc/15/33/07/642153307.db2.gz JEFVFFXXUIIKEZ-XJKSGUPXSA-N 1 1 316.361 2.231 20 5 DEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590522 642189460 /nfs/dbraw/zinc/18/94/60/642189460.db2.gz DTQZMLOEYJQIHX-PVAVHDDUSA-N 1 1 319.405 2.187 20 5 DEBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590522 642189462 /nfs/dbraw/zinc/18/94/62/642189462.db2.gz DTQZMLOEYJQIHX-PVAVHDDUSA-N 1 1 319.405 2.187 20 5 DEBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590522 642189464 /nfs/dbraw/zinc/18/94/64/642189464.db2.gz DTQZMLOEYJQIHX-PVAVHDDUSA-N 1 1 319.405 2.187 20 5 DEBDMO C[C@]1(CCCO)CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776595862 642190639 /nfs/dbraw/zinc/19/06/39/642190639.db2.gz BSGRBQKQICKPDQ-JKSUJKDBSA-N 1 1 308.378 2.255 20 5 DEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900403010 642357445 /nfs/dbraw/zinc/35/74/45/642357445.db2.gz NOJNOFHKJLYBRV-HIFRSBDPSA-N 1 1 303.362 2.228 20 5 DEBDMO Cc1[nH+]ccn1CCCCOC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000778842852 642439034 /nfs/dbraw/zinc/43/90/34/642439034.db2.gz HXQGCGXSASYSHJ-UHFFFAOYSA-N 1 1 318.333 2.319 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000781354433 642742628 /nfs/dbraw/zinc/74/26/28/642742628.db2.gz RHNNEAPXQWAESB-CHWSQXEVSA-N 1 1 316.304 2.332 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000781354433 642742629 /nfs/dbraw/zinc/74/26/29/642742629.db2.gz RHNNEAPXQWAESB-CHWSQXEVSA-N 1 1 316.304 2.332 20 5 DEBDMO O=[N+]([O-])CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000905207801 643831325 /nfs/dbraw/zinc/83/13/25/643831325.db2.gz IUQCTCJNUVJLME-BRWVUGGUSA-N 1 1 303.406 2.153 20 5 DEBDMO CC[N@H+](CC1CCC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000794688501 644461254 /nfs/dbraw/zinc/46/12/54/644461254.db2.gz NSECDRBDHZNWCW-UHFFFAOYSA-N 1 1 317.345 2.270 20 5 DEBDMO CC[N@@H+](CC1CCC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000794688501 644461259 /nfs/dbraw/zinc/46/12/59/644461259.db2.gz NSECDRBDHZNWCW-UHFFFAOYSA-N 1 1 317.345 2.270 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000795288371 644547589 /nfs/dbraw/zinc/54/75/89/644547589.db2.gz KKXOLKARCJPCFW-DOTOQJQBSA-N 1 1 320.389 2.377 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1CCC1 ZINC000908277177 644806622 /nfs/dbraw/zinc/80/66/22/644806622.db2.gz BTAMVIWJTYAVOF-UHFFFAOYSA-N 1 1 307.350 2.416 20 5 DEBDMO O=C(Cc1c[nH]cn1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000908968325 645048617 /nfs/dbraw/zinc/04/86/17/645048617.db2.gz DPSJBFSVTKCZRA-CYBMUJFWSA-N 1 1 314.345 2.267 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910290110 645392776 /nfs/dbraw/zinc/39/27/76/645392776.db2.gz VWZHMOKCGUNQMP-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000843819212 651035390 /nfs/dbraw/zinc/03/53/90/651035390.db2.gz TUYKVKPMVNTJKZ-MWLCHTKSSA-N 1 1 321.352 2.397 20 5 DEBDMO C[C@@H]1CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000840028143 645734435 /nfs/dbraw/zinc/73/44/35/645734435.db2.gz ZIMABBHRFAHRNQ-BFQNTYOBSA-N 1 1 319.361 2.220 20 5 DEBDMO C[C@@H]1CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000840028143 645734439 /nfs/dbraw/zinc/73/44/39/645734439.db2.gz ZIMABBHRFAHRNQ-BFQNTYOBSA-N 1 1 319.361 2.220 20 5 DEBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000840068422 645859318 /nfs/dbraw/zinc/85/93/18/645859318.db2.gz XXUATSLBELPTJQ-GOEBONIOSA-N 1 1 317.389 2.285 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000840068422 645859327 /nfs/dbraw/zinc/85/93/27/645859327.db2.gz XXUATSLBELPTJQ-GOEBONIOSA-N 1 1 317.389 2.285 20 5 DEBDMO CCCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000843991495 651059636 /nfs/dbraw/zinc/05/96/36/651059636.db2.gz KYUGMYANPJLCQX-LBPRGKRZSA-N 1 1 309.341 2.290 20 5 DEBDMO CS[C@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000840113093 645981701 /nfs/dbraw/zinc/98/17/01/645981701.db2.gz KMAXDEKLIRGPNO-ZDUSSCGKSA-N 1 1 319.390 2.248 20 5 DEBDMO CS[C@H]1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000840113093 645981706 /nfs/dbraw/zinc/98/17/06/645981706.db2.gz KMAXDEKLIRGPNO-ZDUSSCGKSA-N 1 1 319.390 2.248 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CCn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC000912457883 646077176 /nfs/dbraw/zinc/07/71/76/646077176.db2.gz CZOPAKGOQKSDCS-LBPRGKRZSA-N 1 1 316.365 2.123 20 5 DEBDMO CC[N@@H+](C)C[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000173498193 646771718 /nfs/dbraw/zinc/77/17/18/646771718.db2.gz DELFVDKSEJSTGW-CYBMUJFWSA-N 1 1 317.393 2.176 20 5 DEBDMO C[C@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578404 647031817 /nfs/dbraw/zinc/03/18/17/647031817.db2.gz NOLATEKBQZMSQF-FZMZJTMJSA-N 1 1 304.394 2.312 20 5 DEBDMO C[C@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578404 647031819 /nfs/dbraw/zinc/03/18/19/647031819.db2.gz NOLATEKBQZMSQF-FZMZJTMJSA-N 1 1 304.394 2.312 20 5 DEBDMO Cn1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1Cl ZINC000816593608 647156922 /nfs/dbraw/zinc/15/69/22/647156922.db2.gz XXCQGDFSXBBKIF-UHFFFAOYSA-N 1 1 324.772 2.015 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCSCC1 ZINC000817238335 647246408 /nfs/dbraw/zinc/24/64/08/647246408.db2.gz IEFYMPLZQMSWNC-UHFFFAOYSA-N 1 1 324.402 2.417 20 5 DEBDMO Cc1nn(CN(C)C[C@H]2CCC[N@H+]2C)c2cc([N+](=O)[O-])ccc12 ZINC000817375540 647281296 /nfs/dbraw/zinc/28/12/96/647281296.db2.gz WPMLLTGISNSOTL-CQSZACIVSA-N 1 1 317.393 2.236 20 5 DEBDMO COCC[N@H+]1CC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000731208243 647456352 /nfs/dbraw/zinc/45/63/52/647456352.db2.gz BCKBKPVZCROUMQ-JTQLQIEISA-N 1 1 322.390 2.337 20 5 DEBDMO C[C@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000818968971 647552498 /nfs/dbraw/zinc/55/24/98/647552498.db2.gz HZHPRYXJELDLPD-RHSMWYFYSA-N 1 1 321.421 2.340 20 5 DEBDMO CC[C@@H]1CCCC[N@@H+]1CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819065087 647576734 /nfs/dbraw/zinc/57/67/34/647576734.db2.gz CQPZYHCOFHMJMM-WBVHZDCISA-N 1 1 321.421 2.482 20 5 DEBDMO CC[C@@H]1CCCC[N@H+]1CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819065087 647576736 /nfs/dbraw/zinc/57/67/36/647576736.db2.gz CQPZYHCOFHMJMM-WBVHZDCISA-N 1 1 321.421 2.482 20 5 DEBDMO COCc1nc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000819323018 647634937 /nfs/dbraw/zinc/63/49/37/647634937.db2.gz YDYKSXNCORTKOG-CYBMUJFWSA-N 1 1 323.374 2.021 20 5 DEBDMO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000917569965 648013724 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Cc1ccc(CNC(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000868218888 687950815 /nfs/dbraw/zinc/95/08/15/687950815.db2.gz OIAXKIDYEAXUMY-UHFFFAOYSA-N 1 1 308.382 2.043 20 5 DEBDMO Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000868373449 687995065 /nfs/dbraw/zinc/99/50/65/687995065.db2.gz FUONIUKBLIERDE-TZMCWYRMSA-N 1 1 320.393 2.185 20 5 DEBDMO O=[N+]([O-])CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000930457775 694166627 /nfs/dbraw/zinc/16/66/27/694166627.db2.gz GWWNYCXKQYNDGC-QGZVFWFLSA-N 1 1 300.358 2.499 20 5 DEBDMO O=[N+]([O-])CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000930457775 694166629 /nfs/dbraw/zinc/16/66/29/694166629.db2.gz GWWNYCXKQYNDGC-QGZVFWFLSA-N 1 1 300.358 2.499 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000930673213 694215566 /nfs/dbraw/zinc/21/55/66/694215566.db2.gz GCMQMKLRMRWZSU-JTQLQIEISA-N 1 1 321.402 2.283 20 5 DEBDMO CCCNC(=O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872018826 688913785 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2.177 20 5 DEBDMO CN1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2cccnc21 ZINC000872318622 688982459 /nfs/dbraw/zinc/98/24/59/688982459.db2.gz KPPRTTUXMRYSJQ-UHFFFAOYSA-N 1 1 312.373 2.484 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC000930909770 694269886 /nfs/dbraw/zinc/26/98/86/694269886.db2.gz BIUUKZVONOGFLZ-GYSYKLTISA-N 1 1 321.377 2.078 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000873975328 689334887 /nfs/dbraw/zinc/33/48/87/689334887.db2.gz VUBXDMHLFSUJPT-UHFFFAOYSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1cc(F)cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874838967 689510931 /nfs/dbraw/zinc/51/09/31/689510931.db2.gz SLJSXMDTOYVQQO-ZIAGYGMSSA-N 1 1 321.352 2.351 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000874837504 689511075 /nfs/dbraw/zinc/51/10/75/689511075.db2.gz KMORWANVOZPQHH-OLZOCXBDSA-N 1 1 307.325 2.043 20 5 DEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1 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O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC000879563623 690671599 /nfs/dbraw/zinc/67/15/99/690671599.db2.gz TVIONNCWMSTFAZ-VNHYZAJKSA-N 1 1 308.403 2.313 20 5 DEBDMO COc1ccc(CN2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000880132325 690810808 /nfs/dbraw/zinc/81/08/08/690810808.db2.gz OBVVHWBSHDTBFX-UONOGXRCSA-N 1 1 305.378 2.272 20 5 DEBDMO COc1cc(C[N@H+]2CC[C@H](C(C)(C)O)C2)c([N+](=O)[O-])cc1F ZINC000880147743 690822774 /nfs/dbraw/zinc/82/27/74/690822774.db2.gz IKDFQYWVDCCPJN-NSHDSACASA-N 1 1 312.341 2.335 20 5 DEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000880237162 690847030 /nfs/dbraw/zinc/84/70/30/690847030.db2.gz RPXMGGSZVOTCOJ-QWHCGFSZSA-N 1 1 312.341 2.016 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931461335 694403085 /nfs/dbraw/zinc/40/30/85/694403085.db2.gz CMUMVPOOXNFZEW-JTQLQIEISA-N 1 1 302.334 2.446 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931461335 694403087 /nfs/dbraw/zinc/40/30/87/694403087.db2.gz CMUMVPOOXNFZEW-JTQLQIEISA-N 1 1 302.334 2.446 20 5 DEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](CF)C1 ZINC000880297957 690862181 /nfs/dbraw/zinc/86/21/81/690862181.db2.gz VPUCJIXUVKOGLO-LLVKDONJSA-N 1 1 323.324 2.184 20 5 DEBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@H](CF)C2)o1 ZINC000880301734 690863115 /nfs/dbraw/zinc/86/31/15/690863115.db2.gz XRTZJPQHOHPEOW-SNVBAGLBSA-N 1 1 306.297 2.436 20 5 DEBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@H](CF)C2)o1 ZINC000880301734 690863119 /nfs/dbraw/zinc/86/31/19/690863119.db2.gz XRTZJPQHOHPEOW-SNVBAGLBSA-N 1 1 306.297 2.436 20 5 DEBDMO C[C@@H]1c2sccc2CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000880377490 690885312 /nfs/dbraw/zinc/88/53/12/690885312.db2.gz XKOCGQYMWYRXCP-LLVKDONJSA-N 1 1 319.386 2.437 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@H](C)CC[C@@H]1CO ZINC000880438477 690899667 /nfs/dbraw/zinc/89/96/67/690899667.db2.gz JRHOXKNOJSHKLG-TZMCWYRMSA-N 1 1 321.377 2.077 20 5 DEBDMO COC[C@H]([NH2+]CC[N+](=O)[O-])c1cccc(Br)c1 ZINC000931557537 694428437 /nfs/dbraw/zinc/42/84/37/694428437.db2.gz HZTCWCSRISIALB-NSHDSACASA-N 1 1 303.156 2.003 20 5 DEBDMO CC(=O)c1c(NCC[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000881976788 691194583 /nfs/dbraw/zinc/19/45/83/691194583.db2.gz NWEAGHNHKAZQKC-UHFFFAOYSA-N 1 1 309.391 2.258 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000882493344 691297038 /nfs/dbraw/zinc/29/70/38/691297038.db2.gz GHOTUBNEAGIBDS-JTQLQIEISA-N 1 1 311.769 2.381 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931611381 694439995 /nfs/dbraw/zinc/43/99/95/694439995.db2.gz UAPZHCQYCZMSAG-NOZJJQNGSA-N 1 1 322.340 2.338 20 5 DEBDMO O=C1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CN1CC1CC1 ZINC000883403536 691499450 /nfs/dbraw/zinc/49/94/50/691499450.db2.gz WFLJDMZVTODDKR-CYBMUJFWSA-N 1 1 323.780 2.349 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000883668684 691560436 /nfs/dbraw/zinc/56/04/36/691560436.db2.gz HITMKXCUNXXPDL-SMDDNHRTSA-N 1 1 306.366 2.049 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCOc1ccc([N+](=O)[O-])cc1 ZINC000931726307 694465418 /nfs/dbraw/zinc/46/54/18/694465418.db2.gz LOOVAXRPOWLCBX-DZGCQCFKSA-N 1 1 305.378 2.142 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@H+](CCCO)Cc1ccccc1 ZINC000886044018 691991872 /nfs/dbraw/zinc/99/18/72/691991872.db2.gz OONQRIYMLUESON-UHFFFAOYSA-N 1 1 301.346 2.374 20 5 DEBDMO O=[N+]([O-])c1ncccc1C[N@@H+](CCCO)Cc1ccccc1 ZINC000886044018 691991875 /nfs/dbraw/zinc/99/18/75/691991875.db2.gz OONQRIYMLUESON-UHFFFAOYSA-N 1 1 301.346 2.374 20 5 DEBDMO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)no1 ZINC000931934997 694510533 /nfs/dbraw/zinc/51/05/33/694510533.db2.gz BZHYKIRAZSOMFI-LLVKDONJSA-N 1 1 306.297 2.415 20 5 DEBDMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)no1 ZINC000931934997 694510537 /nfs/dbraw/zinc/51/05/37/694510537.db2.gz BZHYKIRAZSOMFI-LLVKDONJSA-N 1 1 306.297 2.415 20 5 DEBDMO O=C(C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000886828048 692202701 /nfs/dbraw/zinc/20/27/01/692202701.db2.gz WIMHYHBMCNOQKE-SWLSCSKDSA-N 1 1 319.361 2.034 20 5 DEBDMO O=C(C[N@H+]1CC[C@H]([C@H]2CCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000886828048 692202707 /nfs/dbraw/zinc/20/27/07/692202707.db2.gz WIMHYHBMCNOQKE-SWLSCSKDSA-N 1 1 319.361 2.034 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886832323 692203195 /nfs/dbraw/zinc/20/31/95/692203195.db2.gz GGIGOXUDYVEIMI-XJKSGUPXSA-N 1 1 306.362 2.475 20 5 DEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCF)c([N+](=O)[O-])c1 ZINC000887140249 692290366 /nfs/dbraw/zinc/29/03/66/692290366.db2.gz WRMILLFJHXHDAY-SNVBAGLBSA-N 1 1 313.329 2.222 20 5 DEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCF)c([N+](=O)[O-])c1 ZINC000887140249 692290371 /nfs/dbraw/zinc/29/03/71/692290371.db2.gz WRMILLFJHXHDAY-SNVBAGLBSA-N 1 1 313.329 2.222 20 5 DEBDMO C[N@@H+](CCCF)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000887141441 692290414 /nfs/dbraw/zinc/29/04/14/692290414.db2.gz UKZZIGVFNXSMEG-UHFFFAOYSA-N 1 1 311.313 2.184 20 5 DEBDMO C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000887400954 692355431 /nfs/dbraw/zinc/35/54/31/692355431.db2.gz MWTFFNYEKDIBOQ-LBPRGKRZSA-N 1 1 305.378 2.299 20 5 DEBDMO C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887402455 692355807 /nfs/dbraw/zinc/35/58/07/692355807.db2.gz CGAHFCDMTDMZNJ-SWLSCSKDSA-N 1 1 305.378 2.299 20 5 DEBDMO CC1CC[NH+](Cc2cn(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000887407784 692357059 /nfs/dbraw/zinc/35/70/59/692357059.db2.gz RVKAEKFPODPSKF-UHFFFAOYSA-N 1 1 301.350 2.407 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000887711274 692433593 /nfs/dbraw/zinc/43/35/93/692433593.db2.gz WMZIJVLURFJOAO-QWRGUYRKSA-N 1 1 308.334 2.239 20 5 DEBDMO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000887927686 692481721 /nfs/dbraw/zinc/48/17/21/692481721.db2.gz DVVPHDOJEDEHFG-RVSPLBMKSA-N 1 1 317.389 2.108 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1C ZINC000889206585 692666306 /nfs/dbraw/zinc/66/63/06/692666306.db2.gz CVDOLRFQFKWMQO-ZDUSSCGKSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC2(C)C)c1C ZINC000889806303 692787624 /nfs/dbraw/zinc/78/76/24/692787624.db2.gz YCEDWCLAGFKPBW-UHFFFAOYSA-N 1 1 305.378 2.378 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)CC2(C)C)c1C ZINC000889806303 692787625 /nfs/dbraw/zinc/78/76/25/692787625.db2.gz YCEDWCLAGFKPBW-UHFFFAOYSA-N 1 1 305.378 2.378 20 5 DEBDMO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896519393 693003053 /nfs/dbraw/zinc/00/30/53/693003053.db2.gz VFQRUZWOEYYFGJ-LBPRGKRZSA-N 1 1 309.341 2.399 20 5 DEBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H](CF)C2)nc1-c1ccccn1 ZINC001333808952 1150094403 /nfs/dbraw/zinc/09/44/03/1150094403.db2.gz UMHABHZVWJSERQ-LBPRGKRZSA-N 1 1 319.340 2.492 20 5 DEBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@H](CF)C2)nc1-c1ccccn1 ZINC001333808952 1150094406 /nfs/dbraw/zinc/09/44/06/1150094406.db2.gz UMHABHZVWJSERQ-LBPRGKRZSA-N 1 1 319.340 2.492 20 5 DEBDMO Cc1cc([N+](=O)[O-])cnc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164766346 721279196 /nfs/dbraw/zinc/27/91/96/721279196.db2.gz DSBNKTZPHYPPQB-UHFFFAOYSA-N 1 1 302.378 2.220 20 5 DEBDMO O=[N+]([O-])c1ccc2ccnc(N3CCc4[nH+]ccn4CC3)c2c1 ZINC001167181324 776753340 /nfs/dbraw/zinc/75/33/40/776753340.db2.gz ZQSDTYYDWFJWFR-UHFFFAOYSA-N 1 1 309.329 2.402 20 5 DEBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCCN(c3ccccn3)CC2)C1 ZINC001169008171 784999877 /nfs/dbraw/zinc/99/98/77/784999877.db2.gz RNXSADQHURXCNX-LSDHHAIUSA-N 1 1 304.394 2.039 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(N3CCC(F)CC3)CC2)C1 ZINC001169034240 785011174 /nfs/dbraw/zinc/01/11/74/785011174.db2.gz GHQKQQVGWLEGNP-CJNGLKHVSA-N 1 1 313.417 2.330 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC([NH+]3CCC(F)CC3)CC2)C1 ZINC001169034240 785011182 /nfs/dbraw/zinc/01/11/82/785011182.db2.gz GHQKQQVGWLEGNP-CJNGLKHVSA-N 1 1 313.417 2.330 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCN3CCc4ccccc4[C@H]3C2)C1 ZINC001169040093 785014818 /nfs/dbraw/zinc/01/48/18/785014818.db2.gz XWBFNWUGUIVRMN-UWWQBHOKSA-N 1 1 315.417 2.347 20 5 DEBDMO O=C([C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1)N1CCCCC1 ZINC001169021903 785016907 /nfs/dbraw/zinc/01/69/07/785016907.db2.gz AZSNHMSAXURYHP-XHSDSOJGSA-N 1 1 323.437 2.156 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC(Oc3ccc(F)c(F)c3)C2)C1 ZINC001169024997 785018536 /nfs/dbraw/zinc/01/85/36/785018536.db2.gz IKIJVCVIYCLUOT-GHMZBOCLSA-N 1 1 312.316 2.473 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)C1 ZINC001169023299 785019028 /nfs/dbraw/zinc/01/90/28/785019028.db2.gz FGZZBODTACZGHX-QZWWFDLISA-N 1 1 324.421 2.092 20 5 DEBDMO COc1ccc(C[C@H](C)[NH2+]Cc2ncc(F)cn2)c([N+](=O)[O-])c1 ZINC001170294833 786890540 /nfs/dbraw/zinc/89/05/40/786890540.db2.gz DCISLFDTIUCWPB-JTQLQIEISA-N 1 1 320.324 2.253 20 5 DEBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170353404 786918053 /nfs/dbraw/zinc/91/80/53/786918053.db2.gz XSSDDJYMHOHGAM-OBJOEFQTSA-N 1 1 308.378 2.380 20 5 DEBDMO COC(C)(CNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2)OC ZINC001170442688 787180117 /nfs/dbraw/zinc/18/01/17/787180117.db2.gz JIRKDXWVXHIJKW-UHFFFAOYSA-N 1 1 309.366 2.004 20 5 DEBDMO COC(C)(CNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2)OC ZINC001170442688 787180121 /nfs/dbraw/zinc/18/01/21/787180121.db2.gz JIRKDXWVXHIJKW-UHFFFAOYSA-N 1 1 309.366 2.004 20 5 DEBDMO CCC[N@@H+](C)CC(=O)NCCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001094517411 792960392 /nfs/dbraw/zinc/96/03/92/792960392.db2.gz QAEZDIWSYRHIQV-UHFFFAOYSA-N 1 1 322.409 2.163 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@@H](O)[C@H](F)C1)CC2 ZINC001172910104 793542290 /nfs/dbraw/zinc/54/22/90/793542290.db2.gz XEHPZXIJNMOXTJ-NUEKZKHPSA-N 1 1 308.353 2.247 20 5 DEBDMO CN1CC[C@H]2C[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]21 ZINC001172918288 793544167 /nfs/dbraw/zinc/54/41/67/793544167.db2.gz AORZUFRVFCOIKG-LZLYRXPVSA-N 1 1 315.417 2.478 20 5 DEBDMO CN1CC[C@H]2C[N@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]21 ZINC001172918291 793544240 /nfs/dbraw/zinc/54/42/40/793544240.db2.gz AORZUFRVFCOIKG-XYJFISCASA-N 1 1 315.417 2.478 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2nonc2C)c1F ZINC001173176706 793619290 /nfs/dbraw/zinc/61/92/90/793619290.db2.gz LSWYVXXAIPBMOR-QMMMGPOBSA-N 1 1 324.312 2.155 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)CC2COC2)c1F ZINC001173197638 793626252 /nfs/dbraw/zinc/62/62/52/793626252.db2.gz WAOIKCNKQKGFBP-JTQLQIEISA-N 1 1 312.341 2.252 20 5 DEBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](c2ncccn2)C2CC2)c1 ZINC001176345413 794405528 /nfs/dbraw/zinc/40/55/28/794405528.db2.gz NQUJCQUBYPVNEG-HUUCEWRRSA-N 1 1 314.345 2.159 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC001116521746 794961976 /nfs/dbraw/zinc/96/19/76/794961976.db2.gz VXQQHYTVDXFQAT-NSHDSACASA-N 1 1 318.377 2.017 20 5 DEBDMO CC[N@@H+]1CC[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001137853402 796146624 /nfs/dbraw/zinc/14/66/24/796146624.db2.gz NLKSEMRFRWOEFV-LBPRGKRZSA-N 1 1 311.769 2.001 20 5 DEBDMO CC[N@H+]1CC[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001137853402 796146626 /nfs/dbraw/zinc/14/66/26/796146626.db2.gz NLKSEMRFRWOEFV-LBPRGKRZSA-N 1 1 311.769 2.001 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1c[nH+]c2n1CCC2 ZINC001154938087 797642798 /nfs/dbraw/zinc/64/27/98/797642798.db2.gz ZTXYYATWSFYYJW-UHFFFAOYSA-N 1 1 314.345 2.284 20 5 DEBDMO Cc1[nH]c(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(C)[nH+]1 ZINC001156214357 797950547 /nfs/dbraw/zinc/95/05/47/797950547.db2.gz LIINLKQLNVQNCW-UHFFFAOYSA-N 1 1 313.317 2.346 20 5 DEBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001157019215 798128961 /nfs/dbraw/zinc/12/89/61/798128961.db2.gz DRGOHSNGQTXKFG-LLVKDONJSA-N 1 1 303.366 2.390 20 5 DEBDMO C[N@H+]1CCC[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001157266520 798173059 /nfs/dbraw/zinc/17/30/59/798173059.db2.gz UJZFTQJCKOZZBW-NHYWBVRUSA-N 1 1 313.361 2.068 20 5 DEBDMO Cc1ncc(CNc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)cn1 ZINC001157604779 798240254 /nfs/dbraw/zinc/24/02/54/798240254.db2.gz ZZILYUADMMZILB-SNAWJCMRSA-N 1 1 314.349 2.233 20 5 DEBDMO C[NH+]1CCN(CCCNc2cc([N+](=O)[O-])cc3cc[nH]c32)CC1 ZINC001161708541 798918833 /nfs/dbraw/zinc/91/88/33/798918833.db2.gz NDGVHYYACIZFCG-UHFFFAOYSA-N 1 1 317.393 2.126 20 5 DEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC1C[NH+](C(C)(C)C)C1 ZINC001162225170 799036942 /nfs/dbraw/zinc/03/69/42/799036942.db2.gz CSRBYXLKZAMPLD-UHFFFAOYSA-N 1 1 322.365 2.061 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000933490768 800110020 /nfs/dbraw/zinc/11/00/20/800110020.db2.gz FVBCDGWZWUJJPI-CUBALJKWSA-N 1 1 317.389 2.297 20 5 DEBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934114103 800263767 /nfs/dbraw/zinc/26/37/67/800263767.db2.gz QMPPFEKFEOHUFY-ZIAGYGMSSA-N 1 1 307.350 2.033 20 5 DEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935444144 800663533 /nfs/dbraw/zinc/66/35/33/800663533.db2.gz WCIJOLVKKRWQCX-HOTGVXAUSA-N 1 1 317.389 2.251 20 5 DEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000935749942 800756605 /nfs/dbraw/zinc/75/66/05/800756605.db2.gz VFKJGWGQNMPXKS-UHFFFAOYSA-N 1 1 321.402 2.308 20 5 DEBDMO C[N@@H+](CCCNC(=O)c1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC001231247943 801618288 /nfs/dbraw/zinc/61/82/88/801618288.db2.gz CISHTGPJEZPNLW-UHFFFAOYSA-N 1 1 317.345 2.440 20 5 DEBDMO O=[N+]([O-])c1ccc(O[C@@H]2C[C@H]3CNCC[N@@H+]3C2)c2ccccc21 ZINC001218105769 802142865 /nfs/dbraw/zinc/14/28/65/802142865.db2.gz XXSMATZHMLCGAT-QWHCGFSZSA-N 1 1 313.357 2.173 20 5 DEBDMO O=[N+]([O-])c1ccc(O[C@@H]2C[C@H]3CNCC[N@H+]3C2)c2ccccc21 ZINC001218105769 802142866 /nfs/dbraw/zinc/14/28/66/802142866.db2.gz XXSMATZHMLCGAT-QWHCGFSZSA-N 1 1 313.357 2.173 20 5 DEBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CCC[N@@H+](C)CC1 ZINC001233981882 802259048 /nfs/dbraw/zinc/25/90/48/802259048.db2.gz GJRPJFGQQQAHMP-AWEZNQCLSA-N 1 1 308.378 2.378 20 5 DEBDMO CC[N@H+]1CCC[C@H](OCc2c(C(=O)OC)cccc2[N+](=O)[O-])C1 ZINC001222777845 802739036 /nfs/dbraw/zinc/73/90/36/802739036.db2.gz PUGWZIHSYGNHEE-LBPRGKRZSA-N 1 1 322.361 2.382 20 5 DEBDMO COC(=O)c1ccc(CO[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001223413660 802787924 /nfs/dbraw/zinc/78/79/24/802787924.db2.gz NKBHBZGYTFJFBA-CQSZACIVSA-N 1 1 322.361 2.381 20 5 DEBDMO CC[N@H+]1CCC[C@@H](OCc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001223692006 802808595 /nfs/dbraw/zinc/80/85/95/802808595.db2.gz YDSGSQKGHATSAT-OAHLLOKOSA-N 1 1 322.361 2.382 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224986681 802924100 /nfs/dbraw/zinc/92/41/00/802924100.db2.gz IYRMXKIGSWARPC-OAHLLOKOSA-N 1 1 322.361 2.137 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CCC[N@@H+](C)CC1 ZINC001225448199 802966634 /nfs/dbraw/zinc/96/66/34/802966634.db2.gz PQNQDISJZOALKN-LBPRGKRZSA-N 1 1 308.334 2.245 20 5 DEBDMO C[N@@H+]1CCO[C@@H](COc2cccc3nc4ccccc4nc32)C1 ZINC001228519956 803370490 /nfs/dbraw/zinc/37/04/90/803370490.db2.gz URLYPXJPLFGZPL-CYBMUJFWSA-N 1 1 309.369 2.492 20 5 DEBDMO C[N@H+]1CCO[C@@H](COc2cccc3nc4ccccc4nc32)C1 ZINC001228519956 803370496 /nfs/dbraw/zinc/37/04/96/803370496.db2.gz URLYPXJPLFGZPL-CYBMUJFWSA-N 1 1 309.369 2.492 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335439441 1150415688 /nfs/dbraw/zinc/41/56/88/1150415688.db2.gz DDGSQTVJVYINGT-BBRMVZONSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)(C)[N@@H+]1CC[C@@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335439441 1150415696 /nfs/dbraw/zinc/41/56/96/1150415696.db2.gz DDGSQTVJVYINGT-BBRMVZONSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335439441 1150415709 /nfs/dbraw/zinc/41/57/09/1150415709.db2.gz DDGSQTVJVYINGT-BBRMVZONSA-N 1 1 321.421 2.338 20 5 DEBDMO C[N@H+]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001328488560 1148802191 /nfs/dbraw/zinc/80/21/91/1148802191.db2.gz XJZNICVKBCRTOT-UHFFFAOYSA-N 1 1 321.768 2.333 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CCC1(O)CCC1)CC2 ZINC001351144420 1151477710 /nfs/dbraw/zinc/47/77/10/1151477710.db2.gz QRJLJXPVJOCPDS-MRXNPFEDSA-N 1 1 320.389 2.009 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)CCC1(O)CCC1)CC2 ZINC001351144420 1151477718 /nfs/dbraw/zinc/47/77/18/1151477718.db2.gz QRJLJXPVJOCPDS-MRXNPFEDSA-N 1 1 320.389 2.009 20 5 DEBDMO CC(C)(C)[C@H](CO)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001459942233 1058237292 /nfs/dbraw/zinc/23/72/92/1058237292.db2.gz ZUOKVLJXXFDWCP-LBPRGKRZSA-N 1 1 320.349 2.141 20 5 DEBDMO Cc1n[nH]c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1C ZINC001462156775 1058769359 /nfs/dbraw/zinc/76/93/59/1058769359.db2.gz SUIQOFJOVUCTNK-UHFFFAOYSA-N 1 1 300.322 2.101 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001465899237 1059382551 /nfs/dbraw/zinc/38/25/51/1059382551.db2.gz ABWJEOPIEHOHDU-SKDRFNHKSA-N 1 1 323.780 2.461 20 5 DEBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001469026661 1059891796 /nfs/dbraw/zinc/89/17/96/1059891796.db2.gz JBEDKCCUWXHSKS-INIZCTEOSA-N 1 1 311.341 2.382 20 5 DEBDMO C[N@H+]1C[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001472029640 1060374069 /nfs/dbraw/zinc/37/40/69/1060374069.db2.gz SWMRPTFNVNYGNC-ILXRZTDVSA-N 1 1 317.389 2.155 20 5 DEBDMO CC/C=C/CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001494196566 1064168331 /nfs/dbraw/zinc/16/83/31/1064168331.db2.gz RQUUUNGAGLELCB-FZZYSBJUSA-N 1 1 323.437 2.178 20 5 DEBDMO CC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001494196566 1064168334 /nfs/dbraw/zinc/16/83/34/1064168334.db2.gz RQUUUNGAGLELCB-FZZYSBJUSA-N 1 1 323.437 2.178 20 5 DEBDMO CC/C=C/CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001494196566 1064168337 /nfs/dbraw/zinc/16/83/37/1064168337.db2.gz RQUUUNGAGLELCB-FZZYSBJUSA-N 1 1 323.437 2.178 20 5 DEBDMO CCC(=O)c1ccc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001642710083 1078766082 /nfs/dbraw/zinc/76/60/82/1078766082.db2.gz UZDXKUKNIMWRBG-DOMZBBRYSA-N 1 1 303.362 2.328 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001642877738 1078776199 /nfs/dbraw/zinc/77/61/99/1078776199.db2.gz LJDSDPNSPYOEGM-UHFFFAOYSA-N 1 1 321.377 2.220 20 5 DEBDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001520293198 1069117035 /nfs/dbraw/zinc/11/70/35/1069117035.db2.gz IIDUPZZAVDYXSO-LLVKDONJSA-N 1 1 322.365 2.067 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C(C)(C)C1 ZINC001645342282 1078896273 /nfs/dbraw/zinc/89/62/73/1078896273.db2.gz ZXQSFJBTLWPXET-ZDUSSCGKSA-N 1 1 321.377 2.064 20 5 DEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)C[C@@H]1C ZINC001544454138 1072534364 /nfs/dbraw/zinc/53/43/64/1072534364.db2.gz BQJBFNUBUSMBAS-QWHCGFSZSA-N 1 1 320.393 2.243 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC001646585578 1074489195 /nfs/dbraw/zinc/48/91/95/1074489195.db2.gz ADBZGADNTBIGSW-ZDUSSCGKSA-N 1 1 305.378 2.363 20 5 DEBDMO CCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001565498156 1075009766 /nfs/dbraw/zinc/00/97/66/1075009766.db2.gz MMPCYFJBVZPMND-UHFFFAOYSA-N 1 1 303.362 2.039 20 5 DEBDMO C[N@H+]1CCC[C@H]1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001559007113 1075110841 /nfs/dbraw/zinc/11/08/41/1075110841.db2.gz MURXUORYZKDEPZ-ZDUSSCGKSA-N 1 1 315.333 2.018 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590257593 1076601963 /nfs/dbraw/zinc/60/19/63/1076601963.db2.gz VYONZKFXXBNYBU-SNVBAGLBSA-N 1 1 302.338 2.149 20 5 DEBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590257592 1076602233 /nfs/dbraw/zinc/60/22/33/1076602233.db2.gz VYONZKFXXBNYBU-JTQLQIEISA-N 1 1 302.338 2.149 20 5 DEBDMO C[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590260159 1076603096 /nfs/dbraw/zinc/60/30/96/1076603096.db2.gz CPXNTTKRAKYKDQ-JTQLQIEISA-N 1 1 302.338 2.007 20 5 DEBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CCC2(CCC2)C1 ZINC001609603013 1077882231 /nfs/dbraw/zinc/88/22/31/1077882231.db2.gz VDXJSRVRBLCWQF-UHFFFAOYSA-N 1 1 314.349 2.151 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2nn(C)cc2[N+](=O)[O-])C1 ZINC001651397060 1079807695 /nfs/dbraw/zinc/80/76/95/1079807695.db2.gz KFXPYRLFUQKVCA-FRRDWIJNSA-N 1 1 307.398 2.170 20 5 DEBDMO CCOc1cc(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001654511796 1079968464 /nfs/dbraw/zinc/96/84/64/1079968464.db2.gz ZSYGAAIEMLKESQ-HIFRSBDPSA-N 1 1 305.378 2.129 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](c3ncccn3)C2)cc1 ZINC001654915809 1079981297 /nfs/dbraw/zinc/98/12/97/1079981297.db2.gz QVMNPHIWBINBMI-CYBMUJFWSA-N 1 1 314.345 2.253 20 5 DEBDMO COc1cc(C[NH2+]Cc2cc(C)c[nH]c2=O)c([N+](=O)[O-])cc1O ZINC001657082373 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CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000588823590 357426803 /nfs/dbraw/zinc/42/68/03/357426803.db2.gz JBUPUOVKUASIFY-STQMWFEESA-N 1 1 307.398 2.040 20 5 DEBDMO O=[N+]([O-])c1cccc(F)c1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000587146683 357380455 /nfs/dbraw/zinc/38/04/55/357380455.db2.gz VSOYBOLYCIHQOW-ZDUSSCGKSA-N 1 1 323.368 2.425 20 5 DEBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](O)C1CC1 ZINC000589196972 357453810 /nfs/dbraw/zinc/45/38/10/357453810.db2.gz PXADLMNRWUQYGK-GFCCVEGCSA-N 1 1 316.304 2.399 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000590141928 357521216 /nfs/dbraw/zinc/52/12/16/357521216.db2.gz NJNAOXSYXZPROW-OAHLLOKOSA-N 1 1 307.398 2.042 20 5 DEBDMO Cc1ccc([C@H](C)NC[C@H](O)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000590605230 357566567 /nfs/dbraw/zinc/56/65/67/357566567.db2.gz FIXHHNPFBPLYCT-ZFWWWQNUSA-N 1 1 309.410 2.255 20 5 DEBDMO O=C1NCC[C@H]1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605784 357566609 /nfs/dbraw/zinc/56/66/09/357566609.db2.gz NTQBXPJDFSAILW-ZDUSSCGKSA-N 1 1 303.362 2.085 20 5 DEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000590972479 357656435 /nfs/dbraw/zinc/65/64/35/357656435.db2.gz YUDWECBIFMKEAB-CJNGLKHVSA-N 1 1 306.362 2.475 20 5 DEBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2=CCCC2)CC1 ZINC000592123358 357834960 /nfs/dbraw/zinc/83/49/60/357834960.db2.gz YVSYIYVNHHRHPM-UHFFFAOYSA-N 1 1 315.373 2.463 20 5 DEBDMO O=C1CC[C@@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000593029568 357990763 /nfs/dbraw/zinc/99/07/63/357990763.db2.gz CCSZTUTWEXVDTP-KGLIPLIRSA-N 1 1 303.362 2.053 20 5 DEBDMO [NH3+]C[C@]12CCC[C@H]1CN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000593735003 358133611 /nfs/dbraw/zinc/13/36/11/358133611.db2.gz TUILBUKCQQCLJD-BBRMVZONSA-N 1 1 305.378 2.034 20 5 DEBDMO CC[N@@H+](CCCNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CCCCC1 ZINC000593788005 358143265 /nfs/dbraw/zinc/14/32/65/358143265.db2.gz VQHHOOZSUNCSOP-UHFFFAOYSA-N 1 1 323.397 2.092 20 5 DEBDMO CC[N@H+](CCCNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000593788005 358143266 /nfs/dbraw/zinc/14/32/66/358143266.db2.gz VQHHOOZSUNCSOP-UHFFFAOYSA-N 1 1 323.397 2.092 20 5 DEBDMO CC[N@@H+](CCCNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000593788005 358143267 /nfs/dbraw/zinc/14/32/67/358143267.db2.gz VQHHOOZSUNCSOP-UHFFFAOYSA-N 1 1 323.397 2.092 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C[C@@H](C)O)C2CC2)cccc1[N+](=O)[O-] ZINC000594063631 358200516 /nfs/dbraw/zinc/20/05/16/358200516.db2.gz KBLFYWBPABYUIA-LLVKDONJSA-N 1 1 321.377 2.077 20 5 DEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594200279 358222369 /nfs/dbraw/zinc/22/23/69/358222369.db2.gz KMNROKJTSNWMPW-LSDHHAIUSA-N 1 1 321.352 2.481 20 5 DEBDMO C[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000594516472 358287871 /nfs/dbraw/zinc/28/78/71/358287871.db2.gz ZVTSTEQQBRFUBI-UKRRQHHQSA-N 1 1 319.405 2.499 20 5 DEBDMO CCn1cc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)nn1 ZINC000594974042 358372380 /nfs/dbraw/zinc/37/23/80/358372380.db2.gz RISDNADESWKWFH-GHXNOFRVSA-N 1 1 301.350 2.399 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cnn(C)c1C ZINC000595035918 358381009 /nfs/dbraw/zinc/38/10/09/358381009.db2.gz NMXVXOPVKRDJKZ-JTQLQIEISA-N 1 1 304.350 2.496 20 5 DEBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595678647 358519299 /nfs/dbraw/zinc/51/92/99/358519299.db2.gz SBKXTRMYVMSQGG-CZUORRHYSA-N 1 1 308.378 2.457 20 5 DEBDMO CC1(C)C[C@@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CO1 ZINC000595370818 358432942 /nfs/dbraw/zinc/43/29/42/358432942.db2.gz JPSZBTJZWYVWNS-DGCLKSJQSA-N 1 1 306.366 2.044 20 5 DEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595811551 358554083 /nfs/dbraw/zinc/55/40/83/358554083.db2.gz UZEJNEQRHOMIKV-SRVKXCTJSA-N 1 1 319.361 2.272 20 5 DEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595811551 358554085 /nfs/dbraw/zinc/55/40/85/358554085.db2.gz UZEJNEQRHOMIKV-SRVKXCTJSA-N 1 1 319.361 2.272 20 5 DEBDMO CCOc1cc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000595876243 358569109 /nfs/dbraw/zinc/56/91/09/358569109.db2.gz RFGGGWUQUKTJFW-WBMJQRKESA-N 1 1 308.378 2.444 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000595704831 358529130 /nfs/dbraw/zinc/52/91/30/358529130.db2.gz WFMYHOPZYWUUTP-XJKSGUPXSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595744986 358538868 /nfs/dbraw/zinc/53/88/68/358538868.db2.gz XJPCPWVWZJWBLB-YRGRVCCFSA-N 1 1 303.362 2.256 20 5 DEBDMO O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000596296081 358662276 /nfs/dbraw/zinc/66/22/76/358662276.db2.gz GLODYELYAMYKRA-RYUDHWBXSA-N 1 1 310.785 2.494 20 5 DEBDMO Cc1nn(C)c(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596570428 358717010 /nfs/dbraw/zinc/71/70/10/358717010.db2.gz KXGHVYRETVAZNR-ZDUSSCGKSA-N 1 1 307.398 2.171 20 5 DEBDMO Cc1ccc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000597205897 358853385 /nfs/dbraw/zinc/85/33/85/358853385.db2.gz MKMSBFRGXBUUMI-ZIAGYGMSSA-N 1 1 303.362 2.004 20 5 DEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000597710884 358985473 /nfs/dbraw/zinc/98/54/73/358985473.db2.gz PRWZRNGDRFUINW-QGZVFWFLSA-N 1 1 317.389 2.461 20 5 DEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000597717136 358987638 /nfs/dbraw/zinc/98/76/38/358987638.db2.gz ZTATZVSMUURCKU-INIZCTEOSA-N 1 1 303.362 2.153 20 5 DEBDMO COC(=O)c1ccnc(NCC[N@@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000598594917 359255270 /nfs/dbraw/zinc/25/52/70/359255270.db2.gz NWFGZIKPHPXHFA-UHFFFAOYSA-N 1 1 322.365 2.063 20 5 DEBDMO C[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000598912198 359354961 /nfs/dbraw/zinc/35/49/61/359354961.db2.gz ODLQTLNSFXVGTG-QWRGUYRKSA-N 1 1 304.350 2.308 20 5 DEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000598942848 359361982 /nfs/dbraw/zinc/36/19/82/359361982.db2.gz PKXNPCWRRUKZAI-UHFFFAOYSA-N 1 1 324.287 2.478 20 5 DEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000598942848 359361983 /nfs/dbraw/zinc/36/19/83/359361983.db2.gz PKXNPCWRRUKZAI-UHFFFAOYSA-N 1 1 324.287 2.478 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C1CC1)C1CC1 ZINC000599597858 359537411 /nfs/dbraw/zinc/53/74/11/359537411.db2.gz ATYBMJHJUZPIQW-UHFFFAOYSA-N 1 1 305.334 2.169 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1CNC(C)=O ZINC000599704875 359580625 /nfs/dbraw/zinc/58/06/25/359580625.db2.gz WPIUEYXRPRTOMR-OAHLLOKOSA-N 1 1 321.377 2.094 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1CNC(C)=O ZINC000599704875 359580631 /nfs/dbraw/zinc/58/06/31/359580631.db2.gz WPIUEYXRPRTOMR-OAHLLOKOSA-N 1 1 321.377 2.094 20 5 DEBDMO C[N@H+]1CCCC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000600680133 359799456 /nfs/dbraw/zinc/79/94/56/359799456.db2.gz DJTWVFZRZBCYKV-GFCCVEGCSA-N 1 1 306.366 2.448 20 5 DEBDMO CCCN(CC(=O)NC)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601119736 359928848 /nfs/dbraw/zinc/92/88/48/359928848.db2.gz WAIWYRKKIIOMSH-UHFFFAOYSA-N 1 1 302.334 2.105 20 5 DEBDMO C[C@H](CO[C@@H]1CCOC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601127997 359932316 /nfs/dbraw/zinc/93/23/16/359932316.db2.gz YICGVYUGKYTNBV-DGCLKSJQSA-N 1 1 317.345 2.171 20 5 DEBDMO CC(C)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000601139874 359937641 /nfs/dbraw/zinc/93/76/41/359937641.db2.gz NYHXGXJVHDVICP-UHFFFAOYSA-N 1 1 314.345 2.200 20 5 DEBDMO CCO[C@@H]1COCC[C@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601141579 359938232 /nfs/dbraw/zinc/93/82/32/359938232.db2.gz FYVITYOBSQANAI-HZPDHXFCSA-N 1 1 317.345 2.171 20 5 DEBDMO O=[N+]([O-])c1cc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cs1 ZINC000601145468 359940726 /nfs/dbraw/zinc/94/07/26/359940726.db2.gz WREZDTDUMICVCH-QMMMGPOBSA-N 1 1 321.284 2.141 20 5 DEBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000601169830 359951722 /nfs/dbraw/zinc/95/17/22/359951722.db2.gz GYFHOLKAGXTXSN-UHFFFAOYSA-N 1 1 307.325 2.044 20 5 DEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000601662931 360103832 /nfs/dbraw/zinc/10/38/32/360103832.db2.gz VNPCXSGOIBBVGN-QWHCGFSZSA-N 1 1 321.352 2.481 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281222149 216164704 /nfs/dbraw/zinc/16/47/04/216164704.db2.gz DVAOUFWSZKRDIQ-WZRBSPASSA-N 1 1 305.334 2.086 20 5 DEBDMO C[C@@H]1CN(CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000602633705 360469364 /nfs/dbraw/zinc/46/93/64/360469364.db2.gz NYVLLVDBXYICCU-OAHLLOKOSA-N 1 1 321.421 2.228 20 5 DEBDMO CC(C)([NH2+]CC(=O)Nc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000602843008 360585121 /nfs/dbraw/zinc/58/51/21/360585121.db2.gz XPTDPEMMMIHNLC-UHFFFAOYSA-N 1 1 314.345 2.453 20 5 DEBDMO O=[N+]([O-])c1ccc(CCn2cc(C[NH+]3CCCC3)nn2)cc1 ZINC000603194657 360741313 /nfs/dbraw/zinc/74/13/13/360741313.db2.gz HQRUWYMOBLXXDY-UHFFFAOYSA-N 1 1 301.350 2.025 20 5 DEBDMO C[C@@H]1C[NH+](C(C)(C)CNc2cccnc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000603847169 360863867 /nfs/dbraw/zinc/86/38/67/360863867.db2.gz SKQDVIJACSYIAZ-VXGBXAGGSA-N 1 1 308.382 2.290 20 5 DEBDMO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444665120 238224203 /nfs/dbraw/zinc/22/42/03/238224203.db2.gz SUHAZMZSIUJQBA-CMPLNLGQSA-N 1 1 304.350 2.206 20 5 DEBDMO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444665120 238224212 /nfs/dbraw/zinc/22/42/12/238224212.db2.gz SUHAZMZSIUJQBA-CMPLNLGQSA-N 1 1 304.350 2.206 20 5 DEBDMO C[C@H](c1ccncc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000604526634 360913943 /nfs/dbraw/zinc/91/39/43/360913943.db2.gz KFJVCSHETZPRTG-CYBMUJFWSA-N 1 1 313.361 2.268 20 5 DEBDMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383623 361308044 /nfs/dbraw/zinc/30/80/44/361308044.db2.gz XHBPOKJHCDEIIK-CQSZACIVSA-N 1 1 303.362 2.117 20 5 DEBDMO O=C1[C@H]([N@H+]2C[C@H]3CCC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610762641 361461718 /nfs/dbraw/zinc/46/17/18/361461718.db2.gz JFGMLSGGRXFTDV-KCPJHIHWSA-N 1 1 301.346 2.184 20 5 DEBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1cccnc1[N+](=O)[O-] ZINC000610909554 361491087 /nfs/dbraw/zinc/49/10/87/361491087.db2.gz OGNXNLAQBVRGFB-UHFFFAOYSA-N 1 1 315.333 2.273 20 5 DEBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193999911 201158357 /nfs/dbraw/zinc/15/83/57/201158357.db2.gz DNAKLHFAYRFYSP-NSHDSACASA-N 1 1 323.305 2.031 20 5 DEBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193999911 201158360 /nfs/dbraw/zinc/15/83/60/201158360.db2.gz DNAKLHFAYRFYSP-NSHDSACASA-N 1 1 323.305 2.031 20 5 DEBDMO CC[N@H+]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000611092433 361526190 /nfs/dbraw/zinc/52/61/90/361526190.db2.gz UIKQUESYFSYRFF-CYBMUJFWSA-N 1 1 323.393 2.008 20 5 DEBDMO CC[N@@H+](C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611205158 361548468 /nfs/dbraw/zinc/54/84/68/361548468.db2.gz KDGZTBYQIDLAGT-QWHCGFSZSA-N 1 1 321.377 2.280 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000619567018 363827532 /nfs/dbraw/zinc/82/75/32/363827532.db2.gz IKHVVDRAIYOYRD-ZDUSSCGKSA-N 1 1 305.378 2.460 20 5 DEBDMO COC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619718509 363865051 /nfs/dbraw/zinc/86/50/51/363865051.db2.gz NHDRAGLNQKCNFD-GFCCVEGCSA-N 1 1 307.350 2.034 20 5 DEBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](CO)C2)c1 ZINC000293061122 223377169 /nfs/dbraw/zinc/37/71/69/223377169.db2.gz LCYSVGMJZFPKPR-SECBINFHSA-N 1 1 304.268 2.428 20 5 DEBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](CO)C2)c1 ZINC000293061122 223377171 /nfs/dbraw/zinc/37/71/71/223377171.db2.gz LCYSVGMJZFPKPR-SECBINFHSA-N 1 1 304.268 2.428 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451703294 243340087 /nfs/dbraw/zinc/34/00/87/243340087.db2.gz JHKVRMYPHYDKKK-ILXRZTDVSA-N 1 1 320.389 2.457 20 5 DEBDMO CC(C)c1ccc(C[N@@H+](C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000092974825 193190568 /nfs/dbraw/zinc/19/05/68/193190568.db2.gz UDQRJHRTLDSARG-UHFFFAOYSA-N 1 1 321.421 2.482 20 5 DEBDMO CNC(=O)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093360581 193237691 /nfs/dbraw/zinc/23/76/91/193237691.db2.gz IEHOUVPNZIYJAV-BTKRWWFXSA-N 1 1 303.362 2.066 20 5 DEBDMO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]2CCCCN12 ZINC000453635739 245228607 /nfs/dbraw/zinc/22/86/07/245228607.db2.gz SLXMGBKURUMCJH-BXUZGUMPSA-N 1 1 323.780 2.491 20 5 DEBDMO C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282537251 217071275 /nfs/dbraw/zinc/07/12/75/217071275.db2.gz VSWGBVAZGKVFJZ-CQSZACIVSA-N 1 1 319.405 2.470 20 5 DEBDMO C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282537251 217071278 /nfs/dbraw/zinc/07/12/78/217071278.db2.gz VSWGBVAZGKVFJZ-CQSZACIVSA-N 1 1 319.405 2.470 20 5 DEBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000282570318 217095948 /nfs/dbraw/zinc/09/59/48/217095948.db2.gz VBAMFDWDLUWOCZ-MEBBXXQBSA-N 1 1 310.325 2.365 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000266123164 205115654 /nfs/dbraw/zinc/11/56/54/205115654.db2.gz FLYPZRULBDVMPT-UHFFFAOYSA-N 1 1 303.362 2.214 20 5 DEBDMO Cc1[nH+]ccn1CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000266213825 205188424 /nfs/dbraw/zinc/18/84/24/205188424.db2.gz GTJAGHBQOPSTPO-UHFFFAOYSA-N 1 1 306.351 2.311 20 5 DEBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000267371609 206020110 /nfs/dbraw/zinc/02/01/10/206020110.db2.gz QAISXEDGONTSNC-UHFFFAOYSA-N 1 1 323.780 2.416 20 5 DEBDMO Cc1c(CNC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000454846369 246193714 /nfs/dbraw/zinc/19/37/14/246193714.db2.gz AMOXUSKPZLVKSV-TXEJJXNPSA-N 1 1 320.393 2.137 20 5 DEBDMO C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000492449516 249066896 /nfs/dbraw/zinc/06/68/96/249066896.db2.gz OTDKGPIRIMVMGB-SBDDDAINSA-N 1 1 315.373 2.375 20 5 DEBDMO CCOc1cc(C[N@@H+](C)CCc2cnccn2)ccc1[N+](=O)[O-] ZINC000492750076 249131255 /nfs/dbraw/zinc/13/12/55/249131255.db2.gz PKTLHNARBYXDPV-UHFFFAOYSA-N 1 1 316.361 2.458 20 5 DEBDMO C[C@H](C(=O)N1CCCCC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285204876 218332285 /nfs/dbraw/zinc/33/22/85/218332285.db2.gz DEMYNUKKSQWYSY-CQSZACIVSA-N 1 1 319.405 2.470 20 5 DEBDMO C[C@H](C(=O)N1CCCCC1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285204876 218332287 /nfs/dbraw/zinc/33/22/87/218332287.db2.gz DEMYNUKKSQWYSY-CQSZACIVSA-N 1 1 319.405 2.470 20 5 DEBDMO C[N@@H+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000110732960 194354514 /nfs/dbraw/zinc/35/45/14/194354514.db2.gz IUPYKOIEODQESZ-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO C[N@H+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000110732960 194354517 /nfs/dbraw/zinc/35/45/17/194354517.db2.gz IUPYKOIEODQESZ-UHFFFAOYSA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000110815890 194361340 /nfs/dbraw/zinc/36/13/40/194361340.db2.gz PDZIISCKXGOLPJ-UHFFFAOYSA-N 1 1 323.418 2.485 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000110846987 194363043 /nfs/dbraw/zinc/36/30/43/194363043.db2.gz QXTPICYFJZFUKP-GFCCVEGCSA-N 1 1 322.361 2.188 20 5 DEBDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000540173291 285111475 /nfs/dbraw/zinc/11/14/75/285111475.db2.gz CCXLFGQWGWZZPM-IOASZLSFSA-N 1 1 307.394 2.292 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000540173291 285111476 /nfs/dbraw/zinc/11/14/76/285111476.db2.gz CCXLFGQWGWZZPM-IOASZLSFSA-N 1 1 307.394 2.292 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000540173291 285111477 /nfs/dbraw/zinc/11/14/77/285111477.db2.gz CCXLFGQWGWZZPM-IOASZLSFSA-N 1 1 307.394 2.292 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC000184088751 285112964 /nfs/dbraw/zinc/11/29/64/285112964.db2.gz BSNZSIDLJAZPNX-UHFFFAOYSA-N 1 1 306.362 2.224 20 5 DEBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000286529926 219038692 /nfs/dbraw/zinc/03/86/92/219038692.db2.gz NOELEPZQGMNLIH-HUUCEWRRSA-N 1 1 321.377 2.077 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H](CC(C)C)[NH+]2CCOCC2)n1 ZINC000120852206 195251640 /nfs/dbraw/zinc/25/16/40/195251640.db2.gz HPQNMPWJEGOIPT-CQSZACIVSA-N 1 1 322.409 2.457 20 5 DEBDMO Cc1ccc(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000340251509 131274285 /nfs/dbraw/zinc/27/42/85/131274285.db2.gz LIHHSIMSLMLEHA-LBPRGKRZSA-N 1 1 306.366 2.461 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000368230572 133265458 /nfs/dbraw/zinc/26/54/58/133265458.db2.gz DUKVZKMSUDPDGF-GUTXKFCHSA-N 1 1 322.409 2.234 20 5 DEBDMO CCOc1cc(C[N@H+](C)CCN2CCCC2=O)ccc1[N+](=O)[O-] ZINC000563819580 292074937 /nfs/dbraw/zinc/07/49/37/292074937.db2.gz CETYQNBKGWKYGF-UHFFFAOYSA-N 1 1 321.377 2.048 20 5 DEBDMO CCOc1cc(C[N@@H+](C)CCN2CCCC2=O)ccc1[N+](=O)[O-] ZINC000563819580 292074939 /nfs/dbraw/zinc/07/49/39/292074939.db2.gz CETYQNBKGWKYGF-UHFFFAOYSA-N 1 1 321.377 2.048 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000564275836 292090017 /nfs/dbraw/zinc/09/00/17/292090017.db2.gz IZARALYBTSTORI-UHFFFAOYSA-N 1 1 304.350 2.362 20 5 DEBDMO C[C@@H]1CCCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000187923653 145004568 /nfs/dbraw/zinc/00/45/68/145004568.db2.gz ZPFOZMJXVLVIDT-HIFRSBDPSA-N 1 1 308.378 2.457 20 5 DEBDMO CC[NH+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000188752622 145016830 /nfs/dbraw/zinc/01/68/30/145016830.db2.gz WIJHXMDKLLIPJC-UHFFFAOYSA-N 1 1 309.391 2.094 20 5 DEBDMO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000246685190 145110744 /nfs/dbraw/zinc/11/07/44/145110744.db2.gz JAJCIGWDAACMIR-UONOGXRCSA-N 1 1 319.405 2.374 20 5 DEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246836530 145116629 /nfs/dbraw/zinc/11/66/29/145116629.db2.gz QIJZAOKWQIONTA-TYNCELHUSA-N 1 1 321.377 2.015 20 5 DEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000247730988 145143520 /nfs/dbraw/zinc/14/35/20/145143520.db2.gz UNXLCYFJWLJZBG-DOMZBBRYSA-N 1 1 321.377 2.423 20 5 DEBDMO CNC(=O)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255669849 145204507 /nfs/dbraw/zinc/20/45/07/145204507.db2.gz IEHOUVPNZIYJAV-HJHHMULASA-N 1 1 303.362 2.066 20 5 DEBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)C1 ZINC000346190343 146034428 /nfs/dbraw/zinc/03/44/28/146034428.db2.gz OQLPHWKSJCPSII-SRVKXCTJSA-N 1 1 323.418 2.459 20 5 DEBDMO Cc1cc(C(=O)NCCNc2cccc(C)[nH+]2)cc([N+](=O)[O-])c1 ZINC000346214278 146039821 /nfs/dbraw/zinc/03/98/21/146039821.db2.gz FRTBHGSPIZVKMM-UHFFFAOYSA-N 1 1 314.345 2.449 20 5 DEBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346280312 146053667 /nfs/dbraw/zinc/05/36/67/146053667.db2.gz VQDDYQJKMRRSRJ-HEHGZKQESA-N 1 1 317.389 2.397 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358915274 147229716 /nfs/dbraw/zinc/22/97/16/147229716.db2.gz NMLOZBLEPYUCNO-UHFFFAOYSA-N 1 1 322.409 2.434 20 5 DEBDMO Cc1c(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000358927260 147232093 /nfs/dbraw/zinc/23/20/93/147232093.db2.gz GMXOKBBDYDSVPI-SMDDNHRTSA-N 1 1 320.393 2.185 20 5 DEBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000358972692 147239521 /nfs/dbraw/zinc/23/95/21/147239521.db2.gz GCYQVWUNJIWYAR-CYBMUJFWSA-N 1 1 321.377 2.343 20 5 DEBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000358972692 147239523 /nfs/dbraw/zinc/23/95/23/147239523.db2.gz GCYQVWUNJIWYAR-CYBMUJFWSA-N 1 1 321.377 2.343 20 5 DEBDMO Cc1nc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000370564383 148031412 /nfs/dbraw/zinc/03/14/12/148031412.db2.gz AXMLEBLXHCKIHI-ZFWWWQNUSA-N 1 1 320.393 2.354 20 5 DEBDMO C[C@@H]1COCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000374367121 148236129 /nfs/dbraw/zinc/23/61/29/148236129.db2.gz PZLKGZPCLQRTJQ-NSHDSACASA-N 1 1 318.333 2.113 20 5 DEBDMO C[C@@H]1COCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000374367121 148236130 /nfs/dbraw/zinc/23/61/30/148236130.db2.gz PZLKGZPCLQRTJQ-NSHDSACASA-N 1 1 318.333 2.113 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@@H](C)C1 ZINC000374368613 148237163 /nfs/dbraw/zinc/23/71/63/148237163.db2.gz VOQYGZPLOIHMSL-LBPRGKRZSA-N 1 1 321.377 2.200 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000374407844 148243454 /nfs/dbraw/zinc/24/34/54/148243454.db2.gz XLXTXXPUGKVCHD-KBPBESRZSA-N 1 1 306.362 2.332 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000374453806 148249009 /nfs/dbraw/zinc/24/90/09/148249009.db2.gz DNSRMDXONYRPNP-CQSZACIVSA-N 1 1 315.377 2.405 20 5 DEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000374453806 148249011 /nfs/dbraw/zinc/24/90/11/148249011.db2.gz DNSRMDXONYRPNP-CQSZACIVSA-N 1 1 315.377 2.405 20 5 DEBDMO O=C(NCc1c[nH+]c2n1CCCC2)Nc1cccc([N+](=O)[O-])c1 ZINC000375072084 148327499 /nfs/dbraw/zinc/32/74/99/148327499.db2.gz TUYQFASQECIHAW-UHFFFAOYSA-N 1 1 315.333 2.449 20 5 DEBDMO C[C@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000127560254 401739899 /nfs/dbraw/zinc/73/98/99/401739899.db2.gz OSOKQAYVSWZHOW-GXTWGEPZSA-N 1 1 317.389 2.269 20 5 DEBDMO CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCCCC1 ZINC000075645372 401765857 /nfs/dbraw/zinc/76/58/57/401765857.db2.gz BCXAQWJAWDJUCZ-MRXNPFEDSA-N 1 1 324.425 2.445 20 5 DEBDMO Cc1cccc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000115439114 401827655 /nfs/dbraw/zinc/82/76/55/401827655.db2.gz UDFISSDCKLRKKY-ZDUSSCGKSA-N 1 1 305.378 2.317 20 5 DEBDMO CN(C)C(=O)C[N@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000078395122 401849914 /nfs/dbraw/zinc/84/99/14/401849914.db2.gz WAVVBHZDGJYLRA-UHFFFAOYSA-N 1 1 324.380 2.466 20 5 DEBDMO CN(C)C(=O)C[N@@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000078395122 401849916 /nfs/dbraw/zinc/84/99/16/401849916.db2.gz WAVVBHZDGJYLRA-UHFFFAOYSA-N 1 1 324.380 2.466 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000085395519 401915609 /nfs/dbraw/zinc/91/56/09/401915609.db2.gz FONLOPZDCFAQBT-DOMZBBRYSA-N 1 1 320.393 2.076 20 5 DEBDMO COCCC[N@@H+](C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000121739691 402051310 /nfs/dbraw/zinc/05/13/10/402051310.db2.gz NHRPLBHIZJQBPI-UHFFFAOYSA-N 1 1 303.309 2.253 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000151799329 402057372 /nfs/dbraw/zinc/05/73/72/402057372.db2.gz SHQQMNLBFOPYRK-LLVKDONJSA-N 1 1 311.357 2.123 20 5 DEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000054620225 402069855 /nfs/dbraw/zinc/06/98/55/402069855.db2.gz CKCATVXNKQPUOV-NSHDSACASA-N 1 1 316.361 2.474 20 5 DEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000055405574 402081577 /nfs/dbraw/zinc/08/15/77/402081577.db2.gz PDDUHQCFKXZUNE-RYUDHWBXSA-N 1 1 320.393 2.148 20 5 DEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000064737366 402121288 /nfs/dbraw/zinc/12/12/88/402121288.db2.gz JXBVBUJUKMGPTK-JTQLQIEISA-N 1 1 320.324 2.305 20 5 DEBDMO C[C@H](O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000153188069 402131920 /nfs/dbraw/zinc/13/19/20/402131920.db2.gz LKVNBESXQPUIDK-SLEUVZQESA-N 1 1 321.377 2.157 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153609439 402156195 /nfs/dbraw/zinc/15/61/95/402156195.db2.gz AXRRHTFLWBMCEG-UHFFFAOYSA-N 1 1 316.361 2.191 20 5 DEBDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000104495164 402203156 /nfs/dbraw/zinc/20/31/56/402203156.db2.gz GFXMSJXDHRPDKT-PSKZRQQASA-N 1 1 303.362 2.018 20 5 DEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000068359805 402195701 /nfs/dbraw/zinc/19/57/01/402195701.db2.gz TXEFIYOWVYPUBJ-NSHDSACASA-N 1 1 302.334 2.166 20 5 DEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000153787222 402170428 /nfs/dbraw/zinc/17/04/28/402170428.db2.gz SYNXXWWOJMJTSO-UHFFFAOYSA-N 1 1 308.363 2.324 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000154402902 402211043 /nfs/dbraw/zinc/21/10/43/402211043.db2.gz RDANKAUTKYSNTO-UHFFFAOYSA-N 1 1 307.394 2.376 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Cc3ccccc3)C2)n1 ZINC000176262126 402295093 /nfs/dbraw/zinc/29/50/93/402295093.db2.gz KMNDCRYBARHQTI-OAHLLOKOSA-N 1 1 300.362 2.356 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177155944 402376465 /nfs/dbraw/zinc/37/64/65/402376465.db2.gz WAVLJMAYGKQXFR-VXGBXAGGSA-N 1 1 303.362 2.258 20 5 DEBDMO O=[N+]([O-])c1cc(F)c(NCCC[NH+]2CCOCC2)c(F)c1 ZINC000227887247 402334613 /nfs/dbraw/zinc/33/46/13/402334613.db2.gz BZVHPHVMFYWSER-UHFFFAOYSA-N 1 1 301.293 2.007 20 5 DEBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000228070112 402335974 /nfs/dbraw/zinc/33/59/74/402335974.db2.gz MDHLZRGECVGMHF-CQSZACIVSA-N 1 1 311.769 2.206 20 5 DEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000177376352 402396239 /nfs/dbraw/zinc/39/62/39/402396239.db2.gz UEIDJHNXNDCCAR-UHFFFAOYSA-N 1 1 320.437 2.053 20 5 DEBDMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186566777 402442131 /nfs/dbraw/zinc/44/21/31/402442131.db2.gz AMNSZJIRRMWHEB-CABCVRRESA-N 1 1 320.437 2.271 20 5 DEBDMO CNC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245538398 402469085 /nfs/dbraw/zinc/46/90/85/402469085.db2.gz YZCVXOZWUCIJCU-CHWSQXEVSA-N 1 1 305.378 2.422 20 5 DEBDMO CCOC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246170570 402515126 /nfs/dbraw/zinc/51/51/26/402515126.db2.gz JBEHGRKFMZVREY-CHWSQXEVSA-N 1 1 321.377 2.280 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCO[C@H](C)C1 ZINC000170774594 402523747 /nfs/dbraw/zinc/52/37/47/402523747.db2.gz HQTPRLSORANFMN-CYBMUJFWSA-N 1 1 321.377 2.343 20 5 DEBDMO C[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249752492 402640753 /nfs/dbraw/zinc/64/07/53/402640753.db2.gz RQXGMFBFHHSNEN-FRRDWIJNSA-N 1 1 305.378 2.472 20 5 DEBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182208731 402671869 /nfs/dbraw/zinc/67/18/69/402671869.db2.gz GCRYQXXGGWBGLP-SNVBAGLBSA-N 1 1 311.769 2.336 20 5 DEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000172840757 402678135 /nfs/dbraw/zinc/67/81/35/402678135.db2.gz JAYMYPNLGOMWQT-ZDUSSCGKSA-N 1 1 320.393 2.245 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1 ZINC000173118598 402686035 /nfs/dbraw/zinc/68/60/35/402686035.db2.gz XQCORPXETKINDB-HNNXBMFYSA-N 1 1 305.378 2.315 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1 ZINC000173118598 402686039 /nfs/dbraw/zinc/68/60/39/402686039.db2.gz XQCORPXETKINDB-HNNXBMFYSA-N 1 1 305.378 2.315 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000174516028 402744550 /nfs/dbraw/zinc/74/45/50/402744550.db2.gz PMIVAZWSWXGENP-KIUWMYQTSA-N 1 1 317.389 2.408 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(C)=O)CC1 ZINC000175139371 402782386 /nfs/dbraw/zinc/78/23/86/402782386.db2.gz BDLJUQXTSGAEHY-UHFFFAOYSA-N 1 1 321.377 2.094 20 5 DEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000175101010 402779254 /nfs/dbraw/zinc/77/92/54/402779254.db2.gz ARFOVATTXCHGDN-LLVKDONJSA-N 1 1 310.350 2.234 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C1 ZINC000263721739 402795029 /nfs/dbraw/zinc/79/50/29/402795029.db2.gz OTTAWBXGUTYBOL-NSHDSACASA-N 1 1 307.350 2.274 20 5 DEBDMO CC[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000271523273 402879359 /nfs/dbraw/zinc/87/93/59/402879359.db2.gz OQZXJPOPRQGGTG-GJZGRUSLSA-N 1 1 304.350 2.103 20 5 DEBDMO C[C@@H](CCCO)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272501191 402944885 /nfs/dbraw/zinc/94/48/85/402944885.db2.gz GVSQMVSASPRIAO-WFASDCNBSA-N 1 1 318.377 2.168 20 5 DEBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@@H]1O ZINC000272512159 402946439 /nfs/dbraw/zinc/94/64/39/402946439.db2.gz KENHDHAGHMOXGU-KBMXLJTQSA-N 1 1 308.378 2.111 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265772865 402948519 /nfs/dbraw/zinc/94/85/19/402948519.db2.gz IJEUFMVSIGPTDA-OAHLLOKOSA-N 1 1 319.405 2.473 20 5 DEBDMO COC[C@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000265787367 402950191 /nfs/dbraw/zinc/95/01/91/402950191.db2.gz LSLFLAXLPHVMTG-ZDUSSCGKSA-N 1 1 321.377 2.200 20 5 DEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000272594119 402957256 /nfs/dbraw/zinc/95/72/56/402957256.db2.gz UFOPQMYZVIXPLF-UKRRQHHQSA-N 1 1 308.378 2.457 20 5 DEBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272255884 402915438 /nfs/dbraw/zinc/91/54/38/402915438.db2.gz ZEPAYNHQSOTSRY-IINYFYTJSA-N 1 1 306.322 2.033 20 5 DEBDMO CNC(=O)[C@]1(C)CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000280713659 403029369 /nfs/dbraw/zinc/02/93/69/403029369.db2.gz HQCMSAVPJPHWIT-MLGOLLRUSA-N 1 1 305.378 2.422 20 5 DEBDMO Cn1ccnc1[C@H]([NH2+]CCCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000280438559 403000124 /nfs/dbraw/zinc/00/01/24/403000124.db2.gz KDKSLTHLTOGORO-OAHLLOKOSA-N 1 1 318.377 2.170 20 5 DEBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273452600 403005738 /nfs/dbraw/zinc/00/57/38/403005738.db2.gz LOICTVRRIBQCID-SNVBAGLBSA-N 1 1 322.340 2.340 20 5 DEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)nc1 ZINC000273613747 403019961 /nfs/dbraw/zinc/01/99/61/403019961.db2.gz MRMGFYLKPQBSJP-AWEZNQCLSA-N 1 1 313.361 2.461 20 5 DEBDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266547891 402972985 /nfs/dbraw/zinc/97/29/85/402972985.db2.gz SNFBBCZQILRTAK-QWHCGFSZSA-N 1 1 324.377 2.482 20 5 DEBDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266547891 402972987 /nfs/dbraw/zinc/97/29/87/402972987.db2.gz SNFBBCZQILRTAK-QWHCGFSZSA-N 1 1 324.377 2.482 20 5 DEBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000274172023 403032243 /nfs/dbraw/zinc/03/22/43/403032243.db2.gz MWACEDRPWGECDH-LLVKDONJSA-N 1 1 319.390 2.330 20 5 DEBDMO CC1=C(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280828675 403041005 /nfs/dbraw/zinc/04/10/05/403041005.db2.gz VRNXQAIUGOEANP-CQSZACIVSA-N 1 1 306.362 2.377 20 5 DEBDMO C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)C[N@H+]1Cc1ccccc1 ZINC000268152325 403055038 /nfs/dbraw/zinc/05/50/38/403055038.db2.gz MXZYFOYZQVBNDD-TZMCWYRMSA-N 1 1 315.377 2.403 20 5 DEBDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000268265008 403068243 /nfs/dbraw/zinc/06/82/43/403068243.db2.gz TYYVEOZPGJAINY-IAQYHMDHSA-N 1 1 303.362 2.116 20 5 DEBDMO Cc1c(CC(=O)NCCC[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000269607394 403149847 /nfs/dbraw/zinc/14/98/47/403149847.db2.gz JJZKMWDCZNRCDW-UHFFFAOYSA-N 1 1 307.394 2.292 20 5 DEBDMO CCCC[N@@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283501796 403202176 /nfs/dbraw/zinc/20/21/76/403202176.db2.gz LSMLLXHKYHMWTC-UHFFFAOYSA-N 1 1 309.366 2.018 20 5 DEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284848491 403272592 /nfs/dbraw/zinc/27/25/92/403272592.db2.gz RKQACEBYVKPMMK-UHOFOFEASA-N 1 1 305.378 2.061 20 5 DEBDMO CCC1(O)CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000271195596 403276652 /nfs/dbraw/zinc/27/66/52/403276652.db2.gz NRFHIDMWBMJITQ-UHFFFAOYSA-N 1 1 324.377 2.349 20 5 DEBDMO COc1c(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000331052378 403317513 /nfs/dbraw/zinc/31/75/13/403317513.db2.gz JCJTZKLSWGIUAD-GFCCVEGCSA-N 1 1 321.377 2.017 20 5 DEBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000285796711 403382642 /nfs/dbraw/zinc/38/26/42/403382642.db2.gz FROJKDOGCDVEAK-SWLSCSKDSA-N 1 1 323.368 2.029 20 5 DEBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000285796711 403382646 /nfs/dbraw/zinc/38/26/46/403382646.db2.gz FROJKDOGCDVEAK-SWLSCSKDSA-N 1 1 323.368 2.029 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CC[N@@H+](C)C1CC1 ZINC000342886363 403385137 /nfs/dbraw/zinc/38/51/37/403385137.db2.gz WZUWPPSSMOPNRD-UHFFFAOYSA-N 1 1 321.377 2.220 20 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403522816 /nfs/dbraw/zinc/52/28/16/403522816.db2.gz MNYWCOKOPSQAIV-INIZCTEOSA-N 1 1 318.377 2.456 20 5 DEBDMO CC[C@]1(CO)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332232556 403522818 /nfs/dbraw/zinc/52/28/18/403522818.db2.gz MNYWCOKOPSQAIV-INIZCTEOSA-N 1 1 318.377 2.456 20 5 DEBDMO C[C@@H]1C[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000332248043 403529039 /nfs/dbraw/zinc/52/90/39/403529039.db2.gz SXRBASVJJQEHNE-VXGBXAGGSA-N 1 1 317.393 2.386 20 5 DEBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC000299224635 403548996 /nfs/dbraw/zinc/54/89/96/403548996.db2.gz AWTPIQZTJYFFLM-HUUCEWRRSA-N 1 1 303.362 2.260 20 5 DEBDMO CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343528854 403624208 /nfs/dbraw/zinc/62/42/08/403624208.db2.gz MBTYEDDBTQYIBC-AAEUAGOBSA-N 1 1 321.377 2.206 20 5 DEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000340509619 403632589 /nfs/dbraw/zinc/63/25/89/403632589.db2.gz 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WRCREDUISHGUHQ-GUYCJALGSA-N 1 1 319.405 2.044 20 5 DEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342222287 404451325 /nfs/dbraw/zinc/45/13/25/404451325.db2.gz LCMKKJYHIRURMO-TXEJJXNPSA-N 1 1 320.393 2.369 20 5 DEBDMO COc1cc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000291941669 404590753 /nfs/dbraw/zinc/59/07/53/404590753.db2.gz PWMHODABQNHCBI-LLVKDONJSA-N 1 1 309.366 2.062 20 5 DEBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352819510 404645444 /nfs/dbraw/zinc/64/54/44/404645444.db2.gz PGUUHYUSQBWQEI-QWHCGFSZSA-N 1 1 319.405 2.423 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352819510 404645446 /nfs/dbraw/zinc/64/54/46/404645446.db2.gz PGUUHYUSQBWQEI-QWHCGFSZSA-N 1 1 319.405 2.423 20 5 DEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000292033504 404636839 /nfs/dbraw/zinc/63/68/39/404636839.db2.gz QJEPWGMQLVLQFX-CYBMUJFWSA-N 1 1 307.394 2.374 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000330571170 404691113 /nfs/dbraw/zinc/69/11/13/404691113.db2.gz DDTUIPZFKVSEHO-STQMWFEESA-N 1 1 305.378 2.078 20 5 DEBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000330579195 404691839 /nfs/dbraw/zinc/69/18/39/404691839.db2.gz IAZLLURWILMJIS-RYUDHWBXSA-N 1 1 323.418 2.238 20 5 DEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000330579195 404691841 /nfs/dbraw/zinc/69/18/41/404691841.db2.gz IAZLLURWILMJIS-RYUDHWBXSA-N 1 1 323.418 2.238 20 5 DEBDMO Cn1ccnc1[C@@H]([NH2+]CCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000353610602 404883032 /nfs/dbraw/zinc/88/30/32/404883032.db2.gz XCXMXAQYEHTNTG-HNNXBMFYSA-N 1 1 318.377 2.170 20 5 DEBDMO COC[C@@H](C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353497012 404848124 /nfs/dbraw/zinc/84/81/24/404848124.db2.gz NOPMCPVCMWUGMC-SWLSCSKDSA-N 1 1 318.377 2.290 20 5 DEBDMO CC[C@H](CCO)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353526566 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ZINC000425458554 405294154 /nfs/dbraw/zinc/29/41/54/405294154.db2.gz NDEQJCWTXXQVLS-UHFFFAOYSA-N 1 1 315.167 2.314 20 5 DEBDMO CCOc1cc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000420932199 405408455 /nfs/dbraw/zinc/40/84/55/405408455.db2.gz DVOHPGLGJHIDID-OCCSQVGLSA-N 1 1 308.378 2.444 20 5 DEBDMO O=C(C[N@H+]1CC[C@@H]2CCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000426457184 405360670 /nfs/dbraw/zinc/36/06/70/405360670.db2.gz XNVUEAGHBBUCGO-SWLSCSKDSA-N 1 1 315.373 2.358 20 5 DEBDMO C[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000429568103 405437966 /nfs/dbraw/zinc/43/79/66/405437966.db2.gz HSYQXRIEZDRBPJ-NFAWXSAZSA-N 1 1 308.378 2.455 20 5 DEBDMO Cc1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000421036894 405438134 /nfs/dbraw/zinc/43/81/34/405438134.db2.gz OKNOZUZEPMZJOL-CYBMUJFWSA-N 1 1 306.366 2.461 20 5 DEBDMO C[N@H+]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429866195 405453686 /nfs/dbraw/zinc/45/36/86/405453686.db2.gz MOMHGRWNFFHQKI-UHFFFAOYSA-N 1 1 305.378 2.037 20 5 DEBDMO CO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000449492724 405582444 /nfs/dbraw/zinc/58/24/44/405582444.db2.gz CNVYARZFYHJGIK-ABAIWWIYSA-N 1 1 322.361 2.318 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000568672215 292359425 /nfs/dbraw/zinc/35/94/25/292359425.db2.gz QTKIYCTWNMNGGE-GXTWGEPZSA-N 1 1 303.362 2.212 20 5 DEBDMO CC[C@@]1(O)CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000495201353 405837486 /nfs/dbraw/zinc/83/74/86/405837486.db2.gz KUDZXIWTWDCTRR-MRXNPFEDSA-N 1 1 321.377 2.079 20 5 DEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000530627963 405837955 /nfs/dbraw/zinc/83/79/55/405837955.db2.gz ZYVKAPNZNXSDCB-UHFFFAOYSA-N 1 1 308.334 2.072 20 5 DEBDMO Cc1cc(NC[C@H]2CCC[N@H+]2CCCO)c(F)cc1[N+](=O)[O-] ZINC000450592389 405969933 /nfs/dbraw/zinc/96/99/33/405969933.db2.gz HKZMHGRREORVKW-GFCCVEGCSA-N 1 1 311.357 2.301 20 5 DEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532691523 406093691 /nfs/dbraw/zinc/09/36/91/406093691.db2.gz MQPYEOHFYBLVLN-CYBMUJFWSA-N 1 1 320.393 2.230 20 5 DEBDMO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000466931968 406095275 /nfs/dbraw/zinc/09/52/75/406095275.db2.gz CNAPFQSLBITRMV-GZBFAFLISA-N 1 1 308.378 2.455 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000533355018 406138816 /nfs/dbraw/zinc/13/88/16/406138816.db2.gz SEJMTFKZOXLECK-QWHCGFSZSA-N 1 1 318.377 2.145 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C[C@@H]21 ZINC000568026118 406180552 /nfs/dbraw/zinc/18/05/52/406180552.db2.gz RGGFROORIDNTKZ-KCJUWKMLSA-N 1 1 316.283 2.149 20 5 DEBDMO COc1cc(CN2CC[N@@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000488032531 406287174 /nfs/dbraw/zinc/28/71/74/406287174.db2.gz OLKYJOYCRSDXBS-OAHLLOKOSA-N 1 1 307.394 2.375 20 5 DEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000521717686 406364046 /nfs/dbraw/zinc/36/40/46/406364046.db2.gz LHGORKTVSAZPTF-KBPBESRZSA-N 1 1 319.405 2.499 20 5 DEBDMO CCC1CCC([N@@H+](CCO)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000488247843 406305004 /nfs/dbraw/zinc/30/50/04/406305004.db2.gz WCNDHIBMCDNUOY-UHFFFAOYSA-N 1 1 310.398 2.091 20 5 DEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@H](C)C2)c1 ZINC000525291442 406482129 /nfs/dbraw/zinc/48/21/29/406482129.db2.gz GXJIXBVIBZAAJO-NSHDSACASA-N 1 1 323.418 2.388 20 5 DEBDMO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000572696918 406720161 /nfs/dbraw/zinc/72/01/61/406720161.db2.gz AUXDVZSUFIISFO-JZIBPQBNSA-N 1 1 317.389 2.440 20 5 DEBDMO Cc1c(CC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000129173572 196025958 /nfs/dbraw/zinc/02/59/58/196025958.db2.gz LGTQFUMYPHBFDM-RISCZKNCSA-N 1 1 317.389 2.187 20 5 DEBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299719378 229358990 /nfs/dbraw/zinc/35/89/90/229358990.db2.gz SAPBYRORAWXENX-CHWSQXEVSA-N 1 1 321.377 2.159 20 5 DEBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000301715991 229848805 /nfs/dbraw/zinc/84/88/05/229848805.db2.gz MVXXIZUDSPHXEQ-LBPRGKRZSA-N 1 1 301.350 2.182 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357242949 424815329 /nfs/dbraw/zinc/81/53/29/424815329.db2.gz WVMCUBHLJWZESD-LLVKDONJSA-N 1 1 319.365 2.787 20 5 DEBDMO CC[N@@H+](CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000209809146 424884596 /nfs/dbraw/zinc/88/45/96/424884596.db2.gz KUSUNLVJRZVIDP-YFHOEESVSA-N 1 1 303.362 2.209 20 5 DEBDMO CC[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000568646147 424919670 /nfs/dbraw/zinc/91/96/70/424919670.db2.gz CAFBGNZBGJJVPF-CYBMUJFWSA-N 1 1 322.409 2.921 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000579852631 424965860 /nfs/dbraw/zinc/96/58/60/424965860.db2.gz SAUBGXKEMWZTAV-LBPRGKRZSA-N 1 1 308.382 2.673 20 5 DEBDMO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000590685400 424998546 /nfs/dbraw/zinc/99/85/46/424998546.db2.gz IVOMFGXQSKQBOA-LBPRGKRZSA-N 1 1 312.373 3.039 20 5 DEBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430208178 269126502 /nfs/dbraw/zinc/12/65/02/269126502.db2.gz ARIYDNBLJUKUSM-LBPRGKRZSA-N 1 1 308.334 2.131 20 5 DEBDMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430206606 269126700 /nfs/dbraw/zinc/12/67/00/269126700.db2.gz XIEJQIPXBCSZMO-NSHDSACASA-N 1 1 310.350 2.377 20 5 DEBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000430262366 269128798 /nfs/dbraw/zinc/12/87/98/269128798.db2.gz TWQMJJQDSTWLHZ-AWEZNQCLSA-N 1 1 311.769 2.206 20 5 DEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496952277 269270223 /nfs/dbraw/zinc/27/02/23/269270223.db2.gz ZIUMSODEYNBDPS-STQMWFEESA-N 1 1 319.361 2.430 20 5 DEBDMO CN1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc2C1 ZINC000505418779 269310646 /nfs/dbraw/zinc/31/06/46/269310646.db2.gz CBWHUQHLIKTPQK-UHFFFAOYSA-N 1 1 300.318 2.015 20 5 DEBDMO C[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514614734 269324849 /nfs/dbraw/zinc/32/48/49/269324849.db2.gz ZLDTWMUCWXGTBL-LBPRGKRZSA-N 1 1 305.378 2.251 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000514770957 269331100 /nfs/dbraw/zinc/33/11/00/269331100.db2.gz RCHSGAVFAFRDHM-WFASDCNBSA-N 1 1 305.378 2.299 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1CCCCO1 ZINC000266687784 274203045 /nfs/dbraw/zinc/20/30/45/274203045.db2.gz CTKCWWIBAJDULW-SWLSCSKDSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000266687784 274203046 /nfs/dbraw/zinc/20/30/46/274203046.db2.gz CTKCWWIBAJDULW-SWLSCSKDSA-N 1 1 321.377 2.423 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000225231367 274333669 /nfs/dbraw/zinc/33/36/69/274333669.db2.gz BTPMLTZEXIYECJ-SECBINFHSA-N 1 1 314.183 2.498 20 5 DEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000267740374 274334836 /nfs/dbraw/zinc/33/48/36/274334836.db2.gz VCYPQWJRNWXEFL-ZJUUUORDSA-N 1 1 309.395 2.080 20 5 DEBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc2sccn21 ZINC000252674601 275032795 /nfs/dbraw/zinc/03/27/95/275032795.db2.gz SORUFPYIOWDHLG-UWVGGRQHSA-N 1 1 307.379 2.343 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000278723321 275036385 /nfs/dbraw/zinc/03/63/85/275036385.db2.gz PEUWXDFJYPCEGT-UHFFFAOYSA-N 1 1 307.741 2.298 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149111128 276186996 /nfs/dbraw/zinc/18/69/96/276186996.db2.gz QZYQAPCUJQTVKB-JTQLQIEISA-N 1 1 311.769 2.462 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000294108186 277086210 /nfs/dbraw/zinc/08/62/10/277086210.db2.gz LCHFXHHLVIVCEV-INIZCTEOSA-N 1 1 321.352 2.292 20 5 DEBDMO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000494265081 279054969 /nfs/dbraw/zinc/05/49/69/279054969.db2.gz MLKDXUHWNATHII-BONVTDFDSA-N 1 1 318.333 2.302 20 5 DEBDMO CC[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H](C)C1 ZINC000341800564 279348796 /nfs/dbraw/zinc/34/87/96/279348796.db2.gz QZWIFEXTXJERLN-NSHDSACASA-N 1 1 316.361 2.242 20 5 DEBDMO C[C@H]1c2ccc(Cl)n2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000366304582 280124002 /nfs/dbraw/zinc/12/40/02/280124002.db2.gz AKYIUTXGEXDBEB-JTQLQIEISA-N 1 1 309.757 2.323 20 5 DEBDMO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000366304582 280124005 /nfs/dbraw/zinc/12/40/05/280124005.db2.gz AKYIUTXGEXDBEB-JTQLQIEISA-N 1 1 309.757 2.323 20 5 DEBDMO C[N@H+]1CC[C@H]2OCCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284565071 290237513 /nfs/dbraw/zinc/23/75/13/290237513.db2.gz NUCDFAOURREROT-ZIAGYGMSSA-N 1 1 311.769 2.158 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001120726999 782093554 /nfs/dbraw/zinc/09/35/54/782093554.db2.gz OVMOBLIBQITMHP-NSHDSACASA-N 1 1 311.769 2.462 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000572958343 326002835 /nfs/dbraw/zinc/00/28/35/326002835.db2.gz VHAHPHZZFQSWIQ-MRXNPFEDSA-N 1 1 306.362 2.475 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000572958343 326002838 /nfs/dbraw/zinc/00/28/38/326002838.db2.gz VHAHPHZZFQSWIQ-MRXNPFEDSA-N 1 1 306.362 2.475 20 5 DEBDMO CC(C)[NH2+]CCCN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000573593374 326073398 /nfs/dbraw/zinc/07/33/98/326073398.db2.gz YAZXVCNIHZGYJZ-ZDUSSCGKSA-N 1 1 322.409 2.290 20 5 DEBDMO C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000574130753 326125011 /nfs/dbraw/zinc/12/50/11/326125011.db2.gz SBOITJFKANRKKS-CHWSQXEVSA-N 1 1 317.389 2.465 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000574170419 326129948 /nfs/dbraw/zinc/12/99/48/326129948.db2.gz NPNBXMQTMCAFKH-AWEZNQCLSA-N 1 1 318.377 2.159 20 5 DEBDMO C[C@@H]1COCC[N@H+]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576456062 326294756 /nfs/dbraw/zinc/29/47/56/326294756.db2.gz UMCJKAGDQSIRIG-CQSZACIVSA-N 1 1 319.405 2.280 20 5 DEBDMO C[C@@H]1COCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576456062 326294759 /nfs/dbraw/zinc/29/47/59/326294759.db2.gz UMCJKAGDQSIRIG-CQSZACIVSA-N 1 1 319.405 2.280 20 5 DEBDMO Cn1cncc1CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000582614691 337114744 /nfs/dbraw/zinc/11/47/44/337114744.db2.gz IGXPOKQXVYAGPI-UHFFFAOYSA-N 1 1 302.378 2.435 20 5 DEBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000156436908 519625554 /nfs/dbraw/zinc/62/55/54/519625554.db2.gz GJTWGFGRXKJPQL-GFCCVEGCSA-N 1 1 309.341 2.034 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000159908895 521654591 /nfs/dbraw/zinc/65/45/91/521654591.db2.gz RGKRAEJNJMYAHC-AWEZNQCLSA-N 1 1 305.378 2.046 20 5 DEBDMO C[N@H+]1CCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000124096703 523819411 /nfs/dbraw/zinc/81/94/11/523819411.db2.gz TUTRLEJVOBRIOJ-OAHLLOKOSA-N 1 1 305.378 2.128 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000247420006 526078680 /nfs/dbraw/zinc/07/86/80/526078680.db2.gz YXNXACAGBWABFL-CHWSQXEVSA-N 1 1 321.377 2.341 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000428496018 527997732 /nfs/dbraw/zinc/99/77/32/527997732.db2.gz DYEDLXFOSSLGQW-NSHDSACASA-N 1 1 308.382 2.027 20 5 DEBDMO CCCC1CCC([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000191425634 534923600 /nfs/dbraw/zinc/92/36/00/534923600.db2.gz FHZCFJATQWFXNV-ZBCRRDGASA-N 1 1 324.425 2.443 20 5 DEBDMO CCn1ncnc1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000355602280 535903808 /nfs/dbraw/zinc/90/38/08/535903808.db2.gz UVFVSGHTWUIOQD-KPKJPENVSA-N 1 1 301.350 2.399 20 5 DEBDMO CN(C(=O)C[N@H+]1CCC[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000377547140 535988074 /nfs/dbraw/zinc/98/80/74/535988074.db2.gz WMIYFJPXSOBVLD-OAHLLOKOSA-N 1 1 303.362 2.432 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)CC[C@H]21 ZINC000247938536 536380451 /nfs/dbraw/zinc/38/04/51/536380451.db2.gz CTNNQSXCWHTDKF-GHMZBOCLSA-N 1 1 309.391 2.213 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000458225720 536383318 /nfs/dbraw/zinc/38/33/18/536383318.db2.gz RXFBGNWVMYDBBD-GFCCVEGCSA-N 1 1 323.368 2.125 20 5 DEBDMO C[N@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000492822317 536399249 /nfs/dbraw/zinc/39/92/49/536399249.db2.gz IIEYHMNOTBYUNZ-TWGQIWQCSA-N 1 1 303.362 2.161 20 5 DEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000492402401 536460381 /nfs/dbraw/zinc/46/03/81/536460381.db2.gz XBCIURQZBHNSJF-HCDJPTGHSA-N 1 1 315.373 2.161 20 5 DEBDMO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000360556247 536505664 /nfs/dbraw/zinc/50/56/64/536505664.db2.gz HUUKPULEFXLTEH-WFASDCNBSA-N 1 1 306.362 2.411 20 5 DEBDMO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000360556247 536505671 /nfs/dbraw/zinc/50/56/71/536505671.db2.gz HUUKPULEFXLTEH-WFASDCNBSA-N 1 1 306.362 2.411 20 5 DEBDMO Cc1cc(Cl)c(C(=O)NCC[NH+]2CC=CC2)cc1[N+](=O)[O-] ZINC001330571626 1149200401 /nfs/dbraw/zinc/20/04/01/1149200401.db2.gz LUFUNKASERXNHD-UHFFFAOYSA-N 1 1 309.753 2.158 20 5 DEBDMO C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])cnn2C)C[N@H+]1Cc1ccccc1 ZINC000892899007 625697183 /nfs/dbraw/zinc/69/71/83/625697183.db2.gz IDDREEBTFKVYBE-GXTWGEPZSA-N 1 1 315.377 2.403 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOC[C@@H]2CC2CC2)cc1 ZINC000933209112 624119021 /nfs/dbraw/zinc/11/90/21/624119021.db2.gz BHSWZGXQFYOCKS-JKSUJKDBSA-N 1 1 306.362 2.129 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOC[C@@H]2CC2CC2)cc1 ZINC000933209112 624119022 /nfs/dbraw/zinc/11/90/22/624119022.db2.gz BHSWZGXQFYOCKS-JKSUJKDBSA-N 1 1 306.362 2.129 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000892081217 624774453 /nfs/dbraw/zinc/77/44/53/624774453.db2.gz WEXWBPHPRIRTSY-JTQLQIEISA-N 1 1 305.338 2.273 20 5 DEBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892525383 625099317 /nfs/dbraw/zinc/09/93/17/625099317.db2.gz YIJLDHSMTQSZEN-ZIAGYGMSSA-N 1 1 321.425 2.419 20 5 DEBDMO C[N@@H+](CCc1ccncc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351116 625885938 /nfs/dbraw/zinc/88/59/38/625885938.db2.gz SDSHERKGZLSQJK-INIZCTEOSA-N 1 1 301.346 2.198 20 5 DEBDMO CNC(=O)C1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000735493963 633513046 /nfs/dbraw/zinc/51/30/46/633513046.db2.gz UMQHKUONDRUXAC-UHFFFAOYSA-N 1 1 311.769 2.397 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1[N+](=O)[O-] ZINC000893914149 636064006 /nfs/dbraw/zinc/06/40/06/636064006.db2.gz TUPNTGOLHBOPNQ-GMXVVIOVSA-N 1 1 324.377 2.290 20 5 DEBDMO CCOCCO[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000178917836 637088198 /nfs/dbraw/zinc/08/81/98/637088198.db2.gz QAXVTOFMMBPSLO-AWEZNQCLSA-N 1 1 312.341 2.361 20 5 DEBDMO CCOCCO[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000178917836 637088201 /nfs/dbraw/zinc/08/82/01/637088201.db2.gz QAXVTOFMMBPSLO-AWEZNQCLSA-N 1 1 312.341 2.361 20 5 DEBDMO C/C(=C\C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928436081 637230512 /nfs/dbraw/zinc/23/05/12/637230512.db2.gz IKMBJQRCCMWGNU-UAJRFJEFSA-N 1 1 303.362 2.207 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@@H]2C2(O)CC2)c1 ZINC000839140101 637803165 /nfs/dbraw/zinc/80/31/65/637803165.db2.gz NPUDVHZAGRYIPF-LSDHHAIUSA-N 1 1 306.362 2.008 20 5 DEBDMO C[C@@H]1C[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000741503163 637990302 /nfs/dbraw/zinc/99/03/02/637990302.db2.gz KEEVLAZRWFQHJS-PWSUYJOCSA-N 1 1 308.407 2.364 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000741586309 637996879 /nfs/dbraw/zinc/99/68/79/637996879.db2.gz SPNWRZQBAJWGOP-RISCZKNCSA-N 1 1 321.377 2.016 20 5 DEBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000748272500 638536772 /nfs/dbraw/zinc/53/67/72/638536772.db2.gz NGRWIWUPNUJRQD-AWEZNQCLSA-N 1 1 323.368 2.425 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000896666180 638633942 /nfs/dbraw/zinc/63/39/42/638633942.db2.gz DCMKASSDJHVPCL-WCQYABFASA-N 1 1 305.378 2.424 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000753615386 639321811 /nfs/dbraw/zinc/32/18/11/639321811.db2.gz CWAAQHDJYLXIKQ-GFCCVEGCSA-N 1 1 305.378 2.296 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000753615386 639321815 /nfs/dbraw/zinc/32/18/15/639321815.db2.gz CWAAQHDJYLXIKQ-GFCCVEGCSA-N 1 1 305.378 2.296 20 5 DEBDMO CC(C)(C)C(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000753748462 639337966 /nfs/dbraw/zinc/33/79/66/639337966.db2.gz ONNMAUURRGUQGQ-GFCCVEGCSA-N 1 1 320.393 2.481 20 5 DEBDMO C[C@H](C(=O)NCC[N@H+]1CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000754420123 639427398 /nfs/dbraw/zinc/42/73/98/639427398.db2.gz WNFONKNEBVYSOO-NEPJUHHUSA-N 1 1 323.368 2.438 20 5 DEBDMO Cc1cc(F)cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000758481936 639964148 /nfs/dbraw/zinc/96/41/48/639964148.db2.gz HKBXNBABKFBGFY-ZDUSSCGKSA-N 1 1 321.352 2.351 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000758598419 639977601 /nfs/dbraw/zinc/97/76/01/639977601.db2.gz XZTDTSZTNBMWSO-HZMBPMFUSA-N 1 1 321.352 2.255 20 5 DEBDMO CC(C)OC[C@H](CO)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000763879651 640581565 /nfs/dbraw/zinc/58/15/65/640581565.db2.gz OKAYKOBGXYFFOV-ZDUSSCGKSA-N 1 1 316.785 2.466 20 5 DEBDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000763879651 640581567 /nfs/dbraw/zinc/58/15/67/640581567.db2.gz OKAYKOBGXYFFOV-ZDUSSCGKSA-N 1 1 316.785 2.466 20 5 DEBDMO C[C@H](Cc1[nH]cc[nH+]1)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000764992177 640722459 /nfs/dbraw/zinc/72/24/59/640722459.db2.gz CYSDNJSRSBUXHL-SECBINFHSA-N 1 1 322.296 2.043 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C[N@@H+]1C ZINC000768841269 641132681 /nfs/dbraw/zinc/13/26/81/641132681.db2.gz JMQUTOWVSUONOP-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C[N@H+]1C ZINC000768841269 641132686 /nfs/dbraw/zinc/13/26/86/641132686.db2.gz JMQUTOWVSUONOP-ZJUUUORDSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@]1(O)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769541680 641258058 /nfs/dbraw/zinc/25/80/58/641258058.db2.gz FWJCCSQSYLGQBH-LBPRGKRZSA-N 1 1 315.167 2.314 20 5 DEBDMO C[C@]1(O)CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769541680 641258064 /nfs/dbraw/zinc/25/80/64/641258064.db2.gz FWJCCSQSYLGQBH-LBPRGKRZSA-N 1 1 315.167 2.314 20 5 DEBDMO CCCCCC[N@@H+](C)Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000771388422 641503846 /nfs/dbraw/zinc/50/38/46/641503846.db2.gz AEHZYGZSWHCROS-UHFFFAOYSA-N 1 1 322.369 2.390 20 5 DEBDMO Cc1c(COC(=O)C[N@@H+](C)[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000772050386 641592018 /nfs/dbraw/zinc/59/20/18/641592018.db2.gz QPOAAMCGBIRGSV-CYBMUJFWSA-N 1 1 324.402 2.384 20 5 DEBDMO Cc1c(COC(=O)C[N@H+](C)[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000772050386 641592023 /nfs/dbraw/zinc/59/20/23/641592023.db2.gz QPOAAMCGBIRGSV-CYBMUJFWSA-N 1 1 324.402 2.384 20 5 DEBDMO Cc1[nH+]ccn1-c1ncccc1CNc1ncccc1[N+](=O)[O-] ZINC000774537805 641916561 /nfs/dbraw/zinc/91/65/61/641916561.db2.gz XPUHRTJYLUCZGM-UHFFFAOYSA-N 1 1 310.317 2.491 20 5 DEBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)O ZINC000774877997 641976131 /nfs/dbraw/zinc/97/61/31/641976131.db2.gz QGKQTKJBSVFFSB-UHFFFAOYSA-N 1 1 311.338 2.486 20 5 DEBDMO C[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000842331657 650711451 /nfs/dbraw/zinc/71/14/51/650711451.db2.gz HUDXPIXQLZGHPP-LCGIIJARSA-N 1 1 318.373 2.105 20 5 DEBDMO C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000842331657 650711452 /nfs/dbraw/zinc/71/14/52/650711452.db2.gz HUDXPIXQLZGHPP-LCGIIJARSA-N 1 1 318.373 2.105 20 5 DEBDMO C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000842331657 650711453 /nfs/dbraw/zinc/71/14/53/650711453.db2.gz HUDXPIXQLZGHPP-LCGIIJARSA-N 1 1 318.373 2.105 20 5 DEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588673 642189419 /nfs/dbraw/zinc/18/94/19/642189419.db2.gz NMVROUYFAGAFMI-NVXWUHKLSA-N 1 1 321.421 2.434 20 5 DEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900306001 642320006 /nfs/dbraw/zinc/32/00/06/642320006.db2.gz NCCUDXJNOASHBH-QMMMGPOBSA-N 1 1 315.732 2.069 20 5 DEBDMO CC(C)O[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000842610287 650780467 /nfs/dbraw/zinc/78/04/67/650780467.db2.gz DCTVAFIBCZADKH-CQSZACIVSA-N 1 1 304.350 2.401 20 5 DEBDMO CC(C)O[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000842610287 650780471 /nfs/dbraw/zinc/78/04/71/650780471.db2.gz DCTVAFIBCZADKH-CQSZACIVSA-N 1 1 304.350 2.401 20 5 DEBDMO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000781394714 642746474 /nfs/dbraw/zinc/74/64/74/642746474.db2.gz QQJVTKAULQSIHH-NSHDSACASA-N 1 1 301.350 2.305 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)c2c1 ZINC000842622340 650784951 /nfs/dbraw/zinc/78/49/51/650784951.db2.gz MFKQFWGFDQQYPI-DOMZBBRYSA-N 1 1 302.334 2.013 20 5 DEBDMO O=C1CC2(CN1)CC[NH+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC000783574115 643021940 /nfs/dbraw/zinc/02/19/40/643021940.db2.gz SNCDDGAOUDZQRI-UHFFFAOYSA-N 1 1 323.780 2.350 20 5 DEBDMO C[C@@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000902929758 643195558 /nfs/dbraw/zinc/19/55/58/643195558.db2.gz YHAIZCNJPAEUNA-LDYMZIIASA-N 1 1 312.757 2.462 20 5 DEBDMO Cc1cc(-c2noc(C[C@@H]3CC[N@H+](C)C3)n2)cc([N+](=O)[O-])c1 ZINC000904085916 643565435 /nfs/dbraw/zinc/56/54/35/643565435.db2.gz HMEIOYWTTAQDGM-NSHDSACASA-N 1 1 302.334 2.447 20 5 DEBDMO Cc1cc(Cc2noc([C@]34C[C@H]3CCC[NH2+]4)n2)ccc1[N+](=O)[O-] ZINC000904628057 643709446 /nfs/dbraw/zinc/70/94/46/643709446.db2.gz ROKGUNXSOMRUII-WBMJQRKESA-N 1 1 314.345 2.476 20 5 DEBDMO CCc1nn(C)c(OC)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000790999803 643918330 /nfs/dbraw/zinc/91/83/30/643918330.db2.gz OWEQSWLGVVTKAD-UHFFFAOYSA-N 1 1 318.377 2.498 20 5 DEBDMO Cc1nn(C[N@@H+]2CCO[C@@H](C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000905743658 644028822 /nfs/dbraw/zinc/02/88/22/644028822.db2.gz YANBWBQFYIILGQ-NSHDSACASA-N 1 1 304.350 2.321 20 5 DEBDMO Cc1nn(C[N@H+]2CCO[C@@H](C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000905743658 644028828 /nfs/dbraw/zinc/02/88/28/644028828.db2.gz YANBWBQFYIILGQ-NSHDSACASA-N 1 1 304.350 2.321 20 5 DEBDMO COc1cc(C(=O)NCC[N@H+]2CCC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000792460158 644116045 /nfs/dbraw/zinc/11/60/45/644116045.db2.gz RKHCMCBSNLMSPN-NSHDSACASA-N 1 1 321.377 2.126 20 5 DEBDMO Cc1ccc(C[N@@H+](CCO)C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000796559717 644753908 /nfs/dbraw/zinc/75/39/08/644753908.db2.gz YNMWJDYXTIVCCX-INIZCTEOSA-N 1 1 320.345 2.024 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1CO[NH+]=C(N)C1CCOCC1 ZINC000797422395 644878257 /nfs/dbraw/zinc/87/82/57/644878257.db2.gz MNRMGOWNSNUIKF-UHFFFAOYSA-N 1 1 309.322 2.028 20 5 DEBDMO Cc1nn(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c(C)c1[N+](=O)[O-] ZINC000799158708 645135003 /nfs/dbraw/zinc/13/50/03/645135003.db2.gz QUKIWTFXRBEYCR-CYBMUJFWSA-N 1 1 301.350 2.250 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@H](c3ccccn3)C2)c(C)c1[N+](=O)[O-] ZINC000799158708 645135005 /nfs/dbraw/zinc/13/50/05/645135005.db2.gz QUKIWTFXRBEYCR-CYBMUJFWSA-N 1 1 301.350 2.250 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910280597 645386522 /nfs/dbraw/zinc/38/65/22/645386522.db2.gz MKFONDSBGOSLAL-CQSZACIVSA-N 1 1 319.405 2.470 20 5 DEBDMO CC[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910295863 645408155 /nfs/dbraw/zinc/40/81/55/645408155.db2.gz OUIBOXOJZRUVCS-CYBMUJFWSA-N 1 1 305.378 2.080 20 5 DEBDMO C[N@@H+](CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000839956054 645500196 /nfs/dbraw/zinc/50/01/96/645500196.db2.gz RWRNOGKYWMJDLG-MRXNPFEDSA-N 1 1 319.361 2.364 20 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1 1 317.393 2.174 20 5 DEBDMO CCC[N@@H+]1CCC[C@H]1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819310269 647631345 /nfs/dbraw/zinc/63/13/45/647631345.db2.gz UTCZSOBOCGHZPM-HOTGVXAUSA-N 1 1 307.394 2.092 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819310269 647631347 /nfs/dbraw/zinc/63/13/47/647631347.db2.gz UTCZSOBOCGHZPM-HOTGVXAUSA-N 1 1 307.394 2.092 20 5 DEBDMO CCCC[N@H+](C)C[C@@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819317367 647633230 /nfs/dbraw/zinc/63/32/30/647633230.db2.gz OTQICEQARAHTCO-CZUORRHYSA-N 1 1 309.410 2.338 20 5 DEBDMO CCCC[N@@H+](C)C[C@@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819317367 647633233 /nfs/dbraw/zinc/63/32/33/647633233.db2.gz OTQICEQARAHTCO-CZUORRHYSA-N 1 1 309.410 2.338 20 5 DEBDMO CCC[N@@H+](CC)C[C@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819324440 647634909 /nfs/dbraw/zinc/63/49/09/647634909.db2.gz OYLSBZXEUAKTDT-BBRMVZONSA-N 1 1 309.410 2.338 20 5 DEBDMO CCCN(CC)C[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819324440 647634912 /nfs/dbraw/zinc/63/49/12/647634912.db2.gz OYLSBZXEUAKTDT-BBRMVZONSA-N 1 1 309.410 2.338 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000820265579 647814782 /nfs/dbraw/zinc/81/47/82/647814782.db2.gz JGRREYGKPMUSDY-YPMHNXCESA-N 1 1 305.378 2.424 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1cccc([N+](=O)[O-])c1 ZINC000921272385 648285075 /nfs/dbraw/zinc/28/50/75/648285075.db2.gz WWSHRAKHCVNBMH-CQSZACIVSA-N 1 1 322.434 2.043 20 5 DEBDMO CCCN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000823927067 648501497 /nfs/dbraw/zinc/50/14/97/648501497.db2.gz MEDMBHCDKRCUNV-GFCCVEGCSA-N 1 1 321.381 2.125 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823988208 648508392 /nfs/dbraw/zinc/50/83/92/648508392.db2.gz UZGSWLARCGYEJD-UHFFFAOYSA-N 1 1 309.370 2.030 20 5 DEBDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000823985908 648508419 /nfs/dbraw/zinc/50/84/19/648508419.db2.gz FCKHMSIHNHKSHH-JQWIXIFHSA-N 1 1 321.381 2.123 20 5 DEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826567071 648880002 /nfs/dbraw/zinc/88/00/02/648880002.db2.gz CALSTHMCUFFFDQ-AWEZNQCLSA-N 1 1 311.426 2.012 20 5 DEBDMO C[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000830087257 649392071 /nfs/dbraw/zinc/39/20/71/649392071.db2.gz BTILHAJIIPSEDH-GUYCJALGSA-N 1 1 319.405 2.044 20 5 DEBDMO C[C@@H]1CN(C2CC2)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830087257 649392074 /nfs/dbraw/zinc/39/20/74/649392074.db2.gz BTILHAJIIPSEDH-GUYCJALGSA-N 1 1 319.405 2.044 20 5 DEBDMO C[C@@H]1CN(C2CC2)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830087257 649392079 /nfs/dbraw/zinc/39/20/79/649392079.db2.gz BTILHAJIIPSEDH-GUYCJALGSA-N 1 1 319.405 2.044 20 5 DEBDMO CO[C@@H](C)C[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848486373 651462880 /nfs/dbraw/zinc/46/28/80/651462880.db2.gz GVPJEPFDYPBQBW-LBPRGKRZSA-N 1 1 304.350 2.383 20 5 DEBDMO CO[C@@H](C)C[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848486373 651462882 /nfs/dbraw/zinc/46/28/82/651462882.db2.gz GVPJEPFDYPBQBW-LBPRGKRZSA-N 1 1 304.350 2.383 20 5 DEBDMO C[C@H](O[NH+]=C(N)[C@@H]1C[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000848517638 651465970 /nfs/dbraw/zinc/46/59/70/651465970.db2.gz HBNACICHFSZIHU-VDDIYKPWSA-N 1 1 306.322 2.076 20 5 DEBDMO COc1ccc(OCCO[NH+]=C(N)[C@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000848520450 651466381 /nfs/dbraw/zinc/46/63/81/651466381.db2.gz OXZHHORCZOHBTD-KOLCDFICSA-N 1 1 309.322 2.137 20 5 DEBDMO CC1(C)CC[C@@H](CO)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000856803987 651989058 /nfs/dbraw/zinc/98/90/58/651989058.db2.gz OKZFAJZBTQIDBT-LSDHHAIUSA-N 1 1 308.378 2.111 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccn1 ZINC000852018702 652315249 /nfs/dbraw/zinc/31/52/49/652315249.db2.gz PHKMFVZCVDMOPD-INIZCTEOSA-N 1 1 301.346 2.198 20 5 DEBDMO C[C@]1(C2CC2)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000852322231 652385281 /nfs/dbraw/zinc/38/52/81/652385281.db2.gz FCALZUQIPVXMCV-HZPDHXFCSA-N 1 1 306.362 2.129 20 5 DEBDMO C[C@]1(C2CC2)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000852322231 652385282 /nfs/dbraw/zinc/38/52/82/652385282.db2.gz FCALZUQIPVXMCV-HZPDHXFCSA-N 1 1 306.362 2.129 20 5 DEBDMO O=C1N(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000853579409 652571955 /nfs/dbraw/zinc/57/19/55/652571955.db2.gz YKQZCHXABWMLDE-CHWSQXEVSA-N 1 1 316.361 2.136 20 5 DEBDMO O=C1N(C[N@H+]2CC[C@@H]3C[C@@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000853579409 652571959 /nfs/dbraw/zinc/57/19/59/652571959.db2.gz YKQZCHXABWMLDE-CHWSQXEVSA-N 1 1 316.361 2.136 20 5 DEBDMO COCC[N@@H+]1[C@H](C)CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000130444001 684188996 /nfs/dbraw/zinc/18/89/96/684188996.db2.gz GABGRNUSOBONIU-GASCZTMLSA-N 1 1 321.421 2.178 20 5 DEBDMO COCCN1[C@H](C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000130444001 684188998 /nfs/dbraw/zinc/18/89/98/684188998.db2.gz GABGRNUSOBONIU-GASCZTMLSA-N 1 1 321.421 2.178 20 5 DEBDMO COCCN1[C@H](C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000130444001 684188999 /nfs/dbraw/zinc/18/89/99/684188999.db2.gz GABGRNUSOBONIU-GASCZTMLSA-N 1 1 321.421 2.178 20 5 DEBDMO CC1(C)CC[N@@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000929117481 693899991 /nfs/dbraw/zinc/89/99/91/693899991.db2.gz RWNLOCLVFGVKLS-UHFFFAOYSA-N 1 1 306.366 2.448 20 5 DEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000929212752 693917471 /nfs/dbraw/zinc/91/74/71/693917471.db2.gz TZXGJQODDHCXDR-TVQRCGJNSA-N 1 1 324.768 2.416 20 5 DEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860011091 685870114 /nfs/dbraw/zinc/87/01/14/685870114.db2.gz UGVBMMNSSOUZIP-SKDRFNHKSA-N 1 1 323.780 2.461 20 5 DEBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000861344358 686049908 /nfs/dbraw/zinc/04/99/08/686049908.db2.gz OWTZCZMVLQOTFT-CJNGLKHVSA-N 1 1 322.361 2.169 20 5 DEBDMO O=[N+]([O-])c1cc(CO)c(N[C@@H]2CCC[N@H+](CCF)C2)cc1F ZINC000865928228 687381748 /nfs/dbraw/zinc/38/17/48/687381748.db2.gz UNNWHZJFNFAQGX-LLVKDONJSA-N 1 1 315.320 2.072 20 5 DEBDMO O=[N+]([O-])c1cc(CO)c(N[C@@H]2CCC[N@@H+](CCF)C2)cc1F ZINC000865928228 687381752 /nfs/dbraw/zinc/38/17/52/687381752.db2.gz UNNWHZJFNFAQGX-LLVKDONJSA-N 1 1 315.320 2.072 20 5 DEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866209214 687492295 /nfs/dbraw/zinc/49/22/95/687492295.db2.gz QAVCFPHHQCAPSC-SWLSCSKDSA-N 1 1 303.362 2.328 20 5 DEBDMO CCCCN(CCOC)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943618 687843854 /nfs/dbraw/zinc/84/38/54/687843854.db2.gz APSGKKPXZCKTKJ-MRXNPFEDSA-N 1 1 323.393 2.044 20 5 DEBDMO C[C@@H]1SCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000867944536 687845254 /nfs/dbraw/zinc/84/52/54/687845254.db2.gz FCOLSLXRROUWHR-PGUXBMHVSA-N 1 1 323.418 2.121 20 5 DEBDMO CC[C@@]1(C)CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867951309 687846895 /nfs/dbraw/zinc/84/68/95/687846895.db2.gz HFPFQGVHBOFHHR-JKSUJKDBSA-N 1 1 305.378 2.417 20 5 DEBDMO COCCC[N@@H+](C)CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040285 688917962 /nfs/dbraw/zinc/91/79/62/688917962.db2.gz XENGRFOBWIKZCP-LBPRGKRZSA-N 1 1 313.373 2.353 20 5 DEBDMO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043924 688918487 /nfs/dbraw/zinc/91/84/87/688918487.db2.gz ODSAPLPZWCLAGO-ZJUUUORDSA-N 1 1 318.370 2.208 20 5 DEBDMO CC(C)[C@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000872739053 689080275 /nfs/dbraw/zinc/08/02/75/689080275.db2.gz YNCJVUADLIBBIQ-MRXNPFEDSA-N 1 1 317.393 2.174 20 5 DEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000872781161 689091586 /nfs/dbraw/zinc/09/15/86/689091586.db2.gz PPGQMHYLYVMECT-KGLIPLIRSA-N 1 1 301.350 2.144 20 5 DEBDMO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000930910849 694269936 /nfs/dbraw/zinc/26/99/36/694269936.db2.gz JJZOXISPWCCHOB-SCVCMEIPSA-N 1 1 309.341 2.208 20 5 DEBDMO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000930912598 694270656 /nfs/dbraw/zinc/27/06/56/694270656.db2.gz ACIGMEHAFYLCGM-GMTAPVOTSA-N 1 1 309.341 2.208 20 5 DEBDMO Cc1[nH+]ccn1CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000874256385 689378838 /nfs/dbraw/zinc/37/88/38/689378838.db2.gz HDYILEMDSPVZDB-UHFFFAOYSA-N 1 1 302.334 2.147 20 5 DEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874823136 689499723 /nfs/dbraw/zinc/49/97/23/689499723.db2.gz GAMUWEAVBWABNW-OLZOCXBDSA-N 1 1 321.352 2.351 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000876643711 689886697 /nfs/dbraw/zinc/88/66/97/689886697.db2.gz KZNAJHKGCFSEAF-ZDUSSCGKSA-N 1 1 305.378 2.442 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000877424803 690108504 /nfs/dbraw/zinc/10/85/04/690108504.db2.gz PRJZOYFVWFWNBJ-ZDUSSCGKSA-N 1 1 301.350 2.250 20 5 DEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000877461233 690119478 /nfs/dbraw/zinc/11/94/78/690119478.db2.gz BPSLQUULDVHGBI-YPMHNXCESA-N 1 1 316.279 2.428 20 5 DEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000877461233 690119479 /nfs/dbraw/zinc/11/94/79/690119479.db2.gz BPSLQUULDVHGBI-YPMHNXCESA-N 1 1 316.279 2.428 20 5 DEBDMO O=C1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CCCCCCN1 ZINC000877686435 690191482 /nfs/dbraw/zinc/19/14/82/690191482.db2.gz WJYKCTZWYGFTDI-UHFFFAOYSA-N 1 1 305.378 2.477 20 5 DEBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)CC1(O)CCCC1)C2 ZINC000878303435 690373893 /nfs/dbraw/zinc/37/38/93/690373893.db2.gz QPMTWRHVYQINRE-CQSZACIVSA-N 1 1 320.389 2.009 20 5 DEBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)CC1(O)CCCC1)C2 ZINC000878303435 690373897 /nfs/dbraw/zinc/37/38/97/690373897.db2.gz QPMTWRHVYQINRE-CQSZACIVSA-N 1 1 320.389 2.009 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC000878979395 690541765 /nfs/dbraw/zinc/54/17/65/690541765.db2.gz XBRIQBSINMFGGP-HUUCEWRRSA-N 1 1 314.345 2.255 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC000878979395 690541769 /nfs/dbraw/zinc/54/17/69/690541769.db2.gz XBRIQBSINMFGGP-HUUCEWRRSA-N 1 1 314.345 2.255 20 5 DEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@]3(CCc4ccccc43)C2)c1 ZINC000879997361 690776240 /nfs/dbraw/zinc/77/62/40/690776240.db2.gz HNCDVOKMNVHBOQ-KRWDZBQOSA-N 1 1 312.373 2.381 20 5 DEBDMO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000931457114 694401487 /nfs/dbraw/zinc/40/14/87/694401487.db2.gz VHIBMPHODSOYBB-NSHDSACASA-N 1 1 302.334 2.316 20 5 DEBDMO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000931457114 694401489 /nfs/dbraw/zinc/40/14/89/694401489.db2.gz VHIBMPHODSOYBB-NSHDSACASA-N 1 1 302.334 2.316 20 5 DEBDMO Cc1c(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000880588853 690935288 /nfs/dbraw/zinc/93/52/88/690935288.db2.gz HOYHPWZHQTXTPA-HNNXBMFYSA-N 1 1 320.389 2.267 20 5 DEBDMO CC[N@@H+]1[C@H](C)CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000880608061 690940303 /nfs/dbraw/zinc/94/03/03/690940303.db2.gz CHSWDGKFJKEKLF-BETUJISGSA-N 1 1 305.378 2.078 20 5 DEBDMO CN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000931609862 694439306 /nfs/dbraw/zinc/43/93/06/694439306.db2.gz LWIIRYDAHAGEAX-NSHDSACASA-N 1 1 310.329 2.292 20 5 DEBDMO CO[C@H]1COCC[C@H]1N(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000882936099 691390896 /nfs/dbraw/zinc/39/08/96/691390896.db2.gz LVDOLRNOURJVBF-CVEARBPZSA-N 1 1 317.345 2.383 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000883553541 691538001 /nfs/dbraw/zinc/53/80/01/691538001.db2.gz VRPSTUNVMVYKIV-NEPJUHHUSA-N 1 1 306.366 2.049 20 5 DEBDMO Cc1ccc(CNC(=O)N2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000883757482 691580669 /nfs/dbraw/zinc/58/06/69/691580669.db2.gz OQECQVOZERIDTE-UHFFFAOYSA-N 1 1 320.393 2.139 20 5 DEBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H]([C@H]4CCCO4)C3)c2c1 ZINC000884483544 691748976 /nfs/dbraw/zinc/74/89/76/691748976.db2.gz UZOZSWZLJDFURI-CZUORRHYSA-N 1 1 316.361 2.403 20 5 DEBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886174837 692017622 /nfs/dbraw/zinc/01/76/22/692017622.db2.gz KLEUXGKXCDFVDR-MRXNPFEDSA-N 1 1 321.377 2.401 20 5 DEBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000886252142 692035922 /nfs/dbraw/zinc/03/59/22/692035922.db2.gz UTFBKNLBNOQZBJ-MRXNPFEDSA-N 1 1 301.346 2.329 20 5 DEBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000886252142 692035925 /nfs/dbraw/zinc/03/59/25/692035925.db2.gz UTFBKNLBNOQZBJ-MRXNPFEDSA-N 1 1 301.346 2.329 20 5 DEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)n1 ZINC000931917351 694505844 /nfs/dbraw/zinc/50/58/44/694505844.db2.gz XUXOZSQRDXSEPT-SNVBAGLBSA-N 1 1 322.262 2.158 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000886793343 692192224 /nfs/dbraw/zinc/19/22/24/692192224.db2.gz HLYNCNLKPLMFTC-GFCCVEGCSA-N 1 1 304.268 2.342 20 5 DEBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000886793343 692192227 /nfs/dbraw/zinc/19/22/27/692192227.db2.gz HLYNCNLKPLMFTC-GFCCVEGCSA-N 1 1 304.268 2.342 20 5 DEBDMO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000932061804 694539605 /nfs/dbraw/zinc/53/96/05/694539605.db2.gz DEHHNJYLLMNOOO-QLFBSQMISA-N 1 1 304.346 2.226 20 5 DEBDMO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525300 692639729 /nfs/dbraw/zinc/63/97/29/692639729.db2.gz SWYINMWDXFDSBG-YIDVYQOGSA-N 1 1 323.437 2.057 20 5 DEBDMO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525300 692639732 /nfs/dbraw/zinc/63/97/32/692639732.db2.gz SWYINMWDXFDSBG-YIDVYQOGSA-N 1 1 323.437 2.057 20 5 DEBDMO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525300 692639735 /nfs/dbraw/zinc/63/97/35/692639735.db2.gz SWYINMWDXFDSBG-YIDVYQOGSA-N 1 1 323.437 2.057 20 5 DEBDMO O=C(CC[N@H+]1CCn2cccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000932527617 694632782 /nfs/dbraw/zinc/63/27/82/694632782.db2.gz BKEZIZKGJOFPNX-UHFFFAOYSA-N 1 1 314.345 2.241 20 5 DEBDMO CC(C)(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1c[nH]cn1 ZINC001334722153 1150336368 /nfs/dbraw/zinc/33/63/68/1150336368.db2.gz VQWTVNFPCPPDJR-UHFFFAOYSA-N 1 1 314.345 2.180 20 5 DEBDMO CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001346198242 1150950135 /nfs/dbraw/zinc/95/01/35/1150950135.db2.gz VBKMOHXYMKJVKJ-LSDHHAIUSA-N 1 1 306.362 2.250 20 5 DEBDMO CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001346198242 1150950141 /nfs/dbraw/zinc/95/01/41/1150950141.db2.gz VBKMOHXYMKJVKJ-LSDHHAIUSA-N 1 1 306.362 2.250 20 5 DEBDMO CCN(C(=O)Nc1cc(C)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC001350263110 1151338715 /nfs/dbraw/zinc/33/87/15/1151338715.db2.gz VGSJLZDUTZTWCT-ZDUSSCGKSA-N 1 1 306.366 2.461 20 5 DEBDMO NC1(c2ccccc2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997506 784996994 /nfs/dbraw/zinc/99/69/94/784996994.db2.gz CUDHDXLRDFBSCR-GOEBONIOSA-N 1 1 303.406 2.382 20 5 DEBDMO [NH3+]C1(c2ccccc2)CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997506 784996999 /nfs/dbraw/zinc/99/69/99/784996999.db2.gz CUDHDXLRDFBSCR-GOEBONIOSA-N 1 1 303.406 2.382 20 5 DEBDMO O=C1c2ccccc2[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169011672 785004025 /nfs/dbraw/zinc/00/40/25/785004025.db2.gz MBCJTSHTNKAYPV-VZAMPYOESA-N 1 1 300.358 2.344 20 5 DEBDMO Cc1cccc(N2CCC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169036565 785011951 /nfs/dbraw/zinc/01/19/51/785011951.db2.gz GPUJQKGTTVVFIL-HZPDHXFCSA-N 1 1 318.421 2.348 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051939 785023300 /nfs/dbraw/zinc/02/33/00/785023300.db2.gz DPJGTFKWUHYOOT-FXUDXRNXSA-N 1 1 313.417 2.330 20 5 DEBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051939 785023305 /nfs/dbraw/zinc/02/33/05/785023305.db2.gz DPJGTFKWUHYOOT-FXUDXRNXSA-N 1 1 313.417 2.330 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCn3cncc3C2)c([N+](=O)[O-])c1 ZINC001170352861 786917514 /nfs/dbraw/zinc/91/75/14/786917514.db2.gz SBYAPDZNUKTNQE-GFCCVEGCSA-N 1 1 316.361 2.247 20 5 DEBDMO COc1ccc(C[C@@H](C)[N@H+]2CCn3cncc3C2)c([N+](=O)[O-])c1 ZINC001170352861 786917519 /nfs/dbraw/zinc/91/75/19/786917519.db2.gz SBYAPDZNUKTNQE-GFCCVEGCSA-N 1 1 316.361 2.247 20 5 DEBDMO N[C@H](CCC[NH3+])Nc1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001159786807 789679824 /nfs/dbraw/zinc/67/98/24/789679824.db2.gz KMUVTYKHRJXQOK-NSHDSACASA-N 1 1 309.757 2.232 20 5 DEBDMO CCC[N@@H+](C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001101705667 793331157 /nfs/dbraw/zinc/33/11/57/793331157.db2.gz QYUHRUKUFHFRCX-UHFFFAOYSA-N 1 1 322.409 2.115 20 5 DEBDMO CC[N@@H+](CCC(N)=O)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172916984 793531741 /nfs/dbraw/zinc/53/17/41/793531741.db2.gz VEWNFPAEWQTOOW-AWEZNQCLSA-N 1 1 305.378 2.040 20 5 DEBDMO COC[C@]12COC[C@H]1C[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173223718 793639920 /nfs/dbraw/zinc/63/99/20/793639920.db2.gz CDBVGAGVDFWPBB-FRFSOERESA-N 1 1 320.389 2.121 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](c2ncccn2)C2CC2)c1 ZINC001176345415 794405373 /nfs/dbraw/zinc/40/53/73/794405373.db2.gz NQUJCQUBYPVNEG-LSDHHAIUSA-N 1 1 314.345 2.159 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178860634 795022100 /nfs/dbraw/zinc/02/21/00/795022100.db2.gz GYPDGAXZJOCBKV-CQSZACIVSA-N 1 1 321.377 2.064 20 5 DEBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC001118984251 795244713 /nfs/dbraw/zinc/24/47/13/795244713.db2.gz CXEYGFAMISMPFP-LBPRGKRZSA-N 1 1 301.350 2.182 20 5 DEBDMO O=[N+]([O-])c1c2nonc2ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001120014981 795390599 /nfs/dbraw/zinc/39/05/99/795390599.db2.gz QONWJCJTSILINQ-ZJUUUORDSA-N 1 1 303.322 2.170 20 5 DEBDMO CO[C@@](C)(C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001182227446 795624840 /nfs/dbraw/zinc/62/48/40/795624840.db2.gz NVUPQVAUFSTSQO-INIZCTEOSA-N 1 1 306.362 2.473 20 5 DEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc3nc4ccccc4nc32)C1 ZINC001153872667 797415297 /nfs/dbraw/zinc/41/52/97/797415297.db2.gz RSRUUORCYOKTQI-ZDUSSCGKSA-N 1 1 320.396 2.465 20 5 DEBDMO C[C@@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)[C@H](C)CO1 ZINC001155428930 797755344 /nfs/dbraw/zinc/75/53/44/797755344.db2.gz MLZOGFUXBSGMDE-IEVRTODYSA-N 1 1 306.366 2.136 20 5 DEBDMO O=[N+]([O-])c1cc(Cl)cc(NCC[NH+]2CCSCC2)n1 ZINC001157043267 798132121 /nfs/dbraw/zinc/13/21/21/798132121.db2.gz IZUBEOWHTQEXSK-UHFFFAOYSA-N 1 1 302.787 2.104 20 5 DEBDMO C[N@H+]1CCC[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC001157284380 798177032 /nfs/dbraw/zinc/17/70/32/798177032.db2.gz XOTIBPIHRJIWAH-RISCZKNCSA-N 1 1 313.361 2.068 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](c2cnccn2)C1 ZINC001198166022 798291557 /nfs/dbraw/zinc/29/15/57/798291557.db2.gz XRJBDHTXIGDHPX-LBPRGKRZSA-N 1 1 314.345 2.383 20 5 DEBDMO Cn1cc([C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nn1 ZINC001198612657 798367285 /nfs/dbraw/zinc/36/72/85/798367285.db2.gz RAHFUOHEIVOULH-LLVKDONJSA-N 1 1 319.340 2.242 20 5 DEBDMO Cn1cc([C@@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nn1 ZINC001198612657 798367290 /nfs/dbraw/zinc/36/72/90/798367290.db2.gz RAHFUOHEIVOULH-LLVKDONJSA-N 1 1 319.340 2.242 20 5 DEBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3CC[C@@H]3C2)c1 ZINC001158423983 798405758 /nfs/dbraw/zinc/40/57/58/798405758.db2.gz QMYOZJXLYCVECP-MRVPVSSYSA-N 1 1 318.711 2.082 20 5 DEBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3CC[C@@H]3C2)c1 ZINC001158423983 798405762 /nfs/dbraw/zinc/40/57/62/798405762.db2.gz QMYOZJXLYCVECP-MRVPVSSYSA-N 1 1 318.711 2.082 20 5 DEBDMO COc1nc(NCC[NH+]2CCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC001160747323 798734749 /nfs/dbraw/zinc/73/47/49/798734749.db2.gz HWNJVUBEEJGYFY-UHFFFAOYSA-N 1 1 316.308 2.141 20 5 DEBDMO C[NH+](C)/C=C/c1cc(NCCc2nncs2)ncc1[N+](=O)[O-] ZINC001161731937 798925298 /nfs/dbraw/zinc/92/52/98/798925298.db2.gz OCTMTYBHXCVLJC-GQCTYLIASA-N 1 1 320.378 2.028 20 5 DEBDMO CN(C)/C=C/c1cc(N[C@]2(C)CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162337056 799064568 /nfs/dbraw/zinc/06/45/68/799064568.db2.gz KHONTEPCMQGQBA-YXMGTMDOSA-N 1 1 319.409 2.418 20 5 DEBDMO C[N@H+]1CCC[C@@](C)(Nc2cnc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001162341536 799066964 /nfs/dbraw/zinc/06/69/64/799066964.db2.gz MWCASVKOSYINNL-OAHLLOKOSA-N 1 1 301.350 2.434 20 5 DEBDMO C[N@@H+]1CCO[C@H](CNc2ncc(F)c3cc([N+](=O)[O-])ccc32)C1 ZINC001162682953 799146616 /nfs/dbraw/zinc/14/66/16/799146616.db2.gz LUQHYATWCVBVLE-LLVKDONJSA-N 1 1 320.324 2.025 20 5 DEBDMO C[N@H+]1CCO[C@H](CNc2ncc(F)c3cc([N+](=O)[O-])ccc32)C1 ZINC001162682953 799146618 /nfs/dbraw/zinc/14/66/18/799146618.db2.gz LUQHYATWCVBVLE-LLVKDONJSA-N 1 1 320.324 2.025 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(NCC2(N(C)C)CC[NH+](C)CC2)c1F ZINC001164217604 799542619 /nfs/dbraw/zinc/54/26/19/799542619.db2.gz YNXXTTOPSMAKPM-UHFFFAOYSA-N 1 1 324.400 2.480 20 5 DEBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933251948 800053156 /nfs/dbraw/zinc/05/31/56/800053156.db2.gz NCMRKURXGCVADH-IAGOWNOFSA-N 1 1 321.421 2.290 20 5 DEBDMO CC(C)C[C@@H]1CN(C)CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933251948 800053164 /nfs/dbraw/zinc/05/31/64/800053164.db2.gz NCMRKURXGCVADH-IAGOWNOFSA-N 1 1 321.421 2.290 20 5 DEBDMO CC(C)C[C@@H]1CN(C)CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933251948 800053173 /nfs/dbraw/zinc/05/31/73/800053173.db2.gz NCMRKURXGCVADH-IAGOWNOFSA-N 1 1 321.421 2.290 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H]2C[C@H]2CCOC2)cc1 ZINC000933669320 800156279 /nfs/dbraw/zinc/15/62/79/800156279.db2.gz FSPABWWSUDUNLO-GDBMZVCRSA-N 1 1 306.362 2.222 20 5 DEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H]2C[C@H]2CCOC2)cc1 ZINC000933669320 800156281 /nfs/dbraw/zinc/15/62/81/800156281.db2.gz FSPABWWSUDUNLO-GDBMZVCRSA-N 1 1 306.362 2.222 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000935215636 800598137 /nfs/dbraw/zinc/59/81/37/800598137.db2.gz XCLWWELIVOSGRV-KNPMLCFXSA-N 1 1 317.389 2.249 20 5 DEBDMO C[N@@H+](CCCNC(=O)c1ccc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001233872702 802231891 /nfs/dbraw/zinc/23/18/91/802231891.db2.gz DIMCDKILGPVICX-UHFFFAOYSA-N 1 1 316.361 2.175 20 5 DEBDMO COC(=O)c1ccc(O[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001234052430 802281552 /nfs/dbraw/zinc/28/15/52/802281552.db2.gz SNHDRJSCGJWMRX-LBPRGKRZSA-N 1 1 308.334 2.243 20 5 DEBDMO CC[N@H+]1CCC[C@@H](OCc2ccc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001223414745 802788175 /nfs/dbraw/zinc/78/81/75/802788175.db2.gz OOTWFCGLJRMDIL-CQSZACIVSA-N 1 1 322.361 2.382 20 5 DEBDMO COc1cc(CO[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC001223908431 802822458 /nfs/dbraw/zinc/82/24/58/802822458.db2.gz FZFPBPQQNNNSJL-GFCCVEGCSA-N 1 1 310.350 2.223 20 5 DEBDMO O=[N+]([O-])c1ccc(Cl)nc1OC1CC[NH+](CCF)CC1 ZINC001226364993 803098529 /nfs/dbraw/zinc/09/85/29/803098529.db2.gz XFVUGJKYFRIFCK-UHFFFAOYSA-N 1 1 303.721 2.456 20 5 DEBDMO O=[N+]([O-])c1cnc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC001226730468 803150579 /nfs/dbraw/zinc/15/05/79/803150579.db2.gz GNUZSGLTQNPABE-CQSZACIVSA-N 1 1 300.318 2.038 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CC1(O)CCCC1)CC2 ZINC001330661012 1149238684 /nfs/dbraw/zinc/23/86/84/1149238684.db2.gz IFAMICWGPUMFPZ-INIZCTEOSA-N 1 1 320.389 2.009 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CC1(O)CCCC1)CC2 ZINC001330661012 1149238672 /nfs/dbraw/zinc/23/86/72/1149238672.db2.gz IFAMICWGPUMFPZ-INIZCTEOSA-N 1 1 320.389 2.009 20 5 DEBDMO Cc1[nH+]ccn1Cc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC001331581909 1149543999 /nfs/dbraw/zinc/54/39/99/1149543999.db2.gz ULAQODYYDCSOSL-UHFFFAOYSA-N 1 1 313.317 2.430 20 5 DEBDMO Cc1nn(CCO)c(C)c1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC001331742479 1149650239 /nfs/dbraw/zinc/65/02/39/1149650239.db2.gz PFLANKZBIHLHPL-LLVKDONJSA-N 1 1 318.377 2.251 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001343370677 1150738114 /nfs/dbraw/zinc/73/81/14/1150738114.db2.gz DEEMUGCRFMQZRT-YPMHNXCESA-N 1 1 319.361 2.420 20 5 DEBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603436884 1069967353 /nfs/dbraw/zinc/96/73/53/1069967353.db2.gz PYQDAXGFJIPJGG-VIFPVBQESA-N 1 1 302.338 2.005 20 5 DEBDMO CCC(=O)NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001460778340 1058505713 /nfs/dbraw/zinc/50/57/13/1058505713.db2.gz LYLMMYAZHQCTAF-UHFFFAOYSA-N 1 1 309.341 2.225 20 5 DEBDMO CC[N@@H+]1CC[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001465852229 1059374630 /nfs/dbraw/zinc/37/46/30/1059374630.db2.gz CCUXKJSNPHFMCR-HNNXBMFYSA-N 1 1 303.362 2.180 20 5 DEBDMO CC[N@H+]1CC[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001465852229 1059374653 /nfs/dbraw/zinc/37/46/53/1059374653.db2.gz CCUXKJSNPHFMCR-HNNXBMFYSA-N 1 1 303.362 2.180 20 5 DEBDMO Cc1ccc(NCCNC(=O)c2cc([N+](=O)[O-])ccc2F)[nH+]c1 ZINC001472010928 1060360803 /nfs/dbraw/zinc/36/08/03/1060360803.db2.gz OJUNNWVHJYEQLL-UHFFFAOYSA-N 1 1 318.308 2.279 20 5 DEBDMO Cc1cc(F)cc(C(=O)N[C@H]2C[N@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC001472025915 1060371697 /nfs/dbraw/zinc/37/16/97/1060371697.db2.gz ILIAZAQJHVELNN-LBPRGKRZSA-N 1 1 309.341 2.112 20 5 DEBDMO CN(C)c1cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc[nH+]1 ZINC001537549953 1072313401 /nfs/dbraw/zinc/31/34/01/1072313401.db2.gz XHQMXHPXYUXYMT-UHFFFAOYSA-N 1 1 318.308 2.376 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@H]2CC2CC2)cc1 ZINC001620607681 1078165943 /nfs/dbraw/zinc/16/59/43/1078165943.db2.gz UPZANRCBLPNSBR-HNNXBMFYSA-N 1 1 306.362 2.475 20 5 DEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@H]2CC2CC2)cc1 ZINC001620607681 1078165946 /nfs/dbraw/zinc/16/59/46/1078165946.db2.gz UPZANRCBLPNSBR-HNNXBMFYSA-N 1 1 306.362 2.475 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC001621569628 1078177791 /nfs/dbraw/zinc/17/77/91/1078177791.db2.gz AQMJJGWXBBHEOD-CYZMBNFOSA-N 1 1 316.361 2.166 20 5 DEBDMO C[C@@]([NH3+])(C(=O)N1CCC(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001576081772 1066489585 /nfs/dbraw/zinc/48/95/85/1066489585.db2.gz QJGFECWVSAMSJD-KRWDZBQOSA-N 1 1 317.389 2.417 20 5 DEBDMO Cc1sc(C[NH3+])nc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001579934774 1067457117 /nfs/dbraw/zinc/45/71/17/1067457117.db2.gz RDIMVZHAFKOOTQ-MRVPVSSYSA-N 1 1 320.374 2.309 20 5 DEBDMO [NH3+][C@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001580114766 1067497998 /nfs/dbraw/zinc/49/79/98/1067497998.db2.gz AWKGLCATWWQWGW-AWEZNQCLSA-N 1 1 321.283 2.189 20 5 DEBDMO CNC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001644496943 1078849502 /nfs/dbraw/zinc/84/95/02/1078849502.db2.gz SDRNHASQUYNDGW-VXGBXAGGSA-N 1 1 306.366 2.049 20 5 DEBDMO CNC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001644496943 1078849507 /nfs/dbraw/zinc/84/95/07/1078849507.db2.gz SDRNHASQUYNDGW-VXGBXAGGSA-N 1 1 306.366 2.049 20 5 DEBDMO CC[N@H+]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C(C)(C)C1 ZINC001645342281 1078895840 /nfs/dbraw/zinc/89/58/40/1078895840.db2.gz ZXQSFJBTLWPXET-CYBMUJFWSA-N 1 1 321.377 2.064 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)n1 ZINC001542296169 1072456457 /nfs/dbraw/zinc/45/64/57/1072456457.db2.gz OBZXGTMRPBYZOQ-WCQYABFASA-N 1 1 320.393 2.148 20 5 DEBDMO CC[N@H+]1C[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C(C)(C)C1 ZINC001558528798 1075097960 /nfs/dbraw/zinc/09/79/60/1075097960.db2.gz XAEKERGFQRYTDZ-ZDUSSCGKSA-N 1 1 323.368 2.123 20 5 DEBDMO C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001558603168 1075101151 /nfs/dbraw/zinc/10/11/51/1075101151.db2.gz KQDHMQLVPCJUFT-STQMWFEESA-N 1 1 305.378 2.156 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC001559304431 1075119564 /nfs/dbraw/zinc/11/95/64/1075119564.db2.gz WMJXLLHOYULMGW-ZMLRMANQSA-N 1 1 306.322 2.255 20 5 DEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC001585026148 1076334947 /nfs/dbraw/zinc/33/49/47/1076334947.db2.gz VAZQETOEBKFXKE-HIFRSBDPSA-N 1 1 318.377 2.045 20 5 DEBDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590489697 1076639631 /nfs/dbraw/zinc/63/96/31/1076639631.db2.gz KDPVIHNOJXKCGW-OAHLLOKOSA-N 1 1 316.365 2.397 20 5 DEBDMO Nc1nc(NC[C@H]2CC[N@H+]2C2CCCCCC2)ncc1[N+](=O)[O-] ZINC001651340046 1079803807 /nfs/dbraw/zinc/80/38/07/1079803807.db2.gz KDHWRKZTQHEQKJ-GFCCVEGCSA-N 1 1 320.397 2.176 20 5 DEBDMO C[C@@H](CNc1nn(C)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC001651462700 1079812996 /nfs/dbraw/zinc/81/29/96/1079812996.db2.gz MRPCLMLCJNWBEU-LBPRGKRZSA-N 1 1 315.377 2.187 20 5 DEBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1n[nH]c(=O)n1C ZINC001652756060 1079896015 /nfs/dbraw/zinc/89/60/15/1079896015.db2.gz HCWMGNJIQSSDBR-GHMZBOCLSA-N 1 1 319.365 2.101 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001655940648 1080026296 /nfs/dbraw/zinc/02/62/96/1080026296.db2.gz WLKRDDOMUUHGJM-OAHLLOKOSA-N 1 1 307.394 2.390 20 5 DEBDMO CCN(C)[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001655940648 1080026302 /nfs/dbraw/zinc/02/63/02/1080026302.db2.gz WLKRDDOMUUHGJM-OAHLLOKOSA-N 1 1 307.394 2.390 20 5 DEBDMO CCN(C)[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001655940648 1080026307 /nfs/dbraw/zinc/02/63/07/1080026307.db2.gz WLKRDDOMUUHGJM-OAHLLOKOSA-N 1 1 307.394 2.390 20 5 DEBDMO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001659632104 1080245275 /nfs/dbraw/zinc/24/52/75/1080245275.db2.gz QKRQFIZACPBOOM-QMMMGPOBSA-N 1 1 317.305 2.026 20 5 DEBDMO CCCn1cncc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001659610112 1080245438 /nfs/dbraw/zinc/24/54/38/1080245438.db2.gz ZHYIDTOMEVNVDU-UHFFFAOYSA-N 1 1 314.349 2.367 20 5 DEBDMO CCc1ccc2c(c1)C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC001660721090 1080385415 /nfs/dbraw/zinc/38/54/15/1080385415.db2.gz RFGWWKUAMQPKES-UHFFFAOYSA-N 1 1 300.362 2.412 20 5 DEBDMO C[N@@H+]1CCC12CN(C(=O)c1cccc3nc4ccccc4nc31)C2 ZINC001269505231 1081269694 /nfs/dbraw/zinc/26/96/94/1081269694.db2.gz YWNXFMGAPZHXJW-UHFFFAOYSA-N 1 1 318.380 2.313 20 5 DEBDMO C[N@H+]1CCC12CN(C(=O)c1cccc3nc4ccccc4nc31)C2 ZINC001269505231 1081269699 /nfs/dbraw/zinc/26/96/99/1081269699.db2.gz YWNXFMGAPZHXJW-UHFFFAOYSA-N 1 1 318.380 2.313 20 5 DEBDMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1CC=CC1 ZINC001482588403 1082291773 /nfs/dbraw/zinc/29/17/73/1082291773.db2.gz QPJPHSSFICZNLM-UHFFFAOYSA-N 1 1 317.389 2.451 20 5 DEBDMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1CC=CC1 ZINC001482588403 1082291775 /nfs/dbraw/zinc/29/17/75/1082291775.db2.gz QPJPHSSFICZNLM-UHFFFAOYSA-N 1 1 317.389 2.451 20 5 DEBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000718976163 1088745781 /nfs/dbraw/zinc/74/57/81/1088745781.db2.gz UFRZSNMSETXQQY-LLVKDONJSA-N 1 1 312.753 2.443 20 5 DEBDMO Cc1nc(O[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1Br ZINC001231123040 1090645354 /nfs/dbraw/zinc/64/53/54/1090645354.db2.gz WZFKVWBLBXFPQU-QMMMGPOBSA-N 1 1 316.155 2.144 20 5 DEBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001299398808 1091465561 /nfs/dbraw/zinc/46/55/61/1091465561.db2.gz OQGGPFPIELAKQM-OAHLLOKOSA-N 1 1 311.341 2.382 20 5 DEBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2CC[NH2+]CC2)c1F ZINC001246072097 1140857217 /nfs/dbraw/zinc/85/72/17/1140857217.db2.gz FCUFZBUOCZQCPU-JTQLQIEISA-N 1 1 311.357 2.015 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001246566226 1140971866 /nfs/dbraw/zinc/97/18/66/1140971866.db2.gz FBPVOYFKHRTVOJ-GXFFZTMASA-N 1 1 317.311 2.491 20 5 DEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001246566226 1140971882 /nfs/dbraw/zinc/97/18/82/1140971882.db2.gz FBPVOYFKHRTVOJ-GXFFZTMASA-N 1 1 317.311 2.491 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC[C@@H]3[NH2+]CC[C@H]31)CC2 ZINC001246647151 1141021447 /nfs/dbraw/zinc/02/14/47/1141021447.db2.gz ZGYWTJBGKJXPQI-BHYGNILZSA-N 1 1 301.390 2.278 20 5 DEBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[C@@H]3[NH2+]CC[C@H]31)CC2 ZINC001246647152 1141022013 /nfs/dbraw/zinc/02/20/13/1141022013.db2.gz ZGYWTJBGKJXPQI-HYVNUMGLSA-N 1 1 301.390 2.278 20 5 DEBDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001336291493 1142396895 /nfs/dbraw/zinc/39/68/95/1142396895.db2.gz TYLNADSEDHFGMW-HNNXBMFYSA-N 1 1 305.378 2.331 20 5 DEBDMO COc1c(O)ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1[N+](=O)[O-] ZINC001336672823 1142529226 /nfs/dbraw/zinc/52/92/26/1142529226.db2.gz IPTQTOFELVDYJG-LLVKDONJSA-N 1 1 322.361 2.310 20 5 DEBDMO CCOc1cccc(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001336726228 1142548428 /nfs/dbraw/zinc/54/84/28/1142548428.db2.gz NMNIUMVOZXSHME-OCCSQVGLSA-N 1 1 322.409 2.040 20 5 DEBDMO C[N@H+]1C[C@@]23CN(c4cc[nH]c(=O)c4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001336804012 1142578624 /nfs/dbraw/zinc/57/86/24/1142578624.db2.gz AFLAQUQYIMVUIZ-IYBDPMFKSA-N 1 1 318.377 2.008 20 5 DEBDMO CN(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001336846905 1142595786 /nfs/dbraw/zinc/59/57/86/1142595786.db2.gz ZTXSCGKPJXBBHD-OWCLPIDISA-N 1 1 319.405 2.091 20 5 DEBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccnc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC001337433209 1142752002 /nfs/dbraw/zinc/75/20/02/1142752002.db2.gz XKUOEHFYGTVXEX-HZUKXOBISA-N 1 1 312.373 2.317 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001339201032 1142979519 /nfs/dbraw/zinc/97/95/19/1142979519.db2.gz NYIDDLLICWSVQU-BPLDGKMQSA-N 1 1 317.389 2.282 20 5 DEBDMO C[C@]1(CO)CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254475003 1143131872 /nfs/dbraw/zinc/13/18/72/1143131872.db2.gz XRJGVHLBACIPTC-KRWDZBQOSA-N 1 1 319.405 2.268 20 5 DEBDMO COc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC001339999043 1143226031 /nfs/dbraw/zinc/22/60/31/1143226031.db2.gz MFWRBXZPYNWASG-QJPTWQEYSA-N 1 1 321.377 2.364 20 5 DEBDMO Cc1noc(C2([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC001254543780 1143243024 /nfs/dbraw/zinc/24/30/24/1143243024.db2.gz GZKWJIXPIHRITF-JTQLQIEISA-N 1 1 302.334 2.496 20 5 DEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001254560239 1143248668 /nfs/dbraw/zinc/24/86/68/1143248668.db2.gz QJWHNICCZVMTEJ-WBMJQRKESA-N 1 1 319.361 2.100 20 5 DEBDMO CC(=O)N1CC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC001254566282 1143250336 /nfs/dbraw/zinc/25/03/36/1143250336.db2.gz SFQHHGXFDQFWQH-CHWSQXEVSA-N 1 1 305.378 2.078 20 5 DEBDMO CC(=O)N1CC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC001254566282 1143250349 /nfs/dbraw/zinc/25/03/49/1143250349.db2.gz SFQHHGXFDQFWQH-CHWSQXEVSA-N 1 1 305.378 2.078 20 5 DEBDMO Cc1noc(C2([NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254580107 1143264470 /nfs/dbraw/zinc/26/44/70/1143264470.db2.gz BWNPLYUOXMWAGI-GFCCVEGCSA-N 1 1 300.318 2.032 20 5 DEBDMO Cc1cc(C[N@@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n(C)n1 ZINC001254601331 1143275273 /nfs/dbraw/zinc/27/52/73/1143275273.db2.gz XZFYFKUCJIHKIA-OAHLLOKOSA-N 1 1 300.362 2.236 20 5 DEBDMO C[C@@H](CNC(=O)NCC[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC001262361297 1144309083 /nfs/dbraw/zinc/30/90/83/1144309083.db2.gz JKSHUZNUNYKJAJ-LBPRGKRZSA-N 1 1 320.393 2.092 20 5 DEBDMO CC(C)C[C@@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC001262562298 1144319184 /nfs/dbraw/zinc/31/91/84/1144319184.db2.gz WOGCORQHSCLZDC-HOTGVXAUSA-N 1 1 309.410 2.194 20 5 DEBDMO CC(C)(CCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[N+](=O)[O-] ZINC001265581058 1144714510 /nfs/dbraw/zinc/71/45/10/1144714510.db2.gz OUXWJZIFGMZTRQ-CQSZACIVSA-N 1 1 311.426 2.203 20 5 DEBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001306045106 1147378612 /nfs/dbraw/zinc/37/86/12/1147378612.db2.gz LROYNVXIUGODGI-NSHDSACASA-N 1 1 311.769 2.414 20 5 DEBDMO CC[N@@H+](C)[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001307236057 1147411574 /nfs/dbraw/zinc/41/15/74/1147411574.db2.gz RTIGAQQOWBDODX-GFCCVEGCSA-N 1 1 321.377 2.220 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCCO[C@H](C)C2)n1 ZINC000278297366 214075470 /nfs/dbraw/zinc/07/54/70/214075470.db2.gz XNWJLNAECHRTEC-CYBMUJFWSA-N 1 1 308.382 2.211 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CCCO)CC2)c([N+](=O)[O-])c1 ZINC000278518584 214207332 /nfs/dbraw/zinc/20/73/32/214207332.db2.gz RIPZAIXJZVMWFM-UHFFFAOYSA-N 1 1 323.349 2.488 20 5 DEBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000315491256 231140563 /nfs/dbraw/zinc/14/05/63/231140563.db2.gz XCMSLYHJTZDWAY-JTQLQIEISA-N 1 1 323.780 2.462 20 5 DEBDMO COc1cc(C[NH+]2CCC([C@@H](C)O)CC2)c([N+](=O)[O-])cc1F ZINC000184213396 282248208 /nfs/dbraw/zinc/24/82/08/282248208.db2.gz JIIMKOKVNJYDFG-SNVBAGLBSA-N 1 1 312.341 2.335 20 5 DEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H](CO)C2)c1 ZINC000092764942 185338986 /nfs/dbraw/zinc/33/89/86/185338986.db2.gz ISEQGSCIYYGSIM-VIFPVBQESA-N 1 1 302.277 2.010 20 5 DEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](CO)C2)c1 ZINC000092764942 185338987 /nfs/dbraw/zinc/33/89/87/185338987.db2.gz ISEQGSCIYYGSIM-VIFPVBQESA-N 1 1 302.277 2.010 20 5 DEBDMO CNC(=O)c1ccc(NCCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000413346989 529942221 /nfs/dbraw/zinc/94/22/21/529942221.db2.gz JTDBFSFBEOVHAE-UHFFFAOYSA-N 1 1 320.393 2.241 20 5 DEBDMO CC[C@H](C)[N@@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286728661 219132881 /nfs/dbraw/zinc/13/28/81/219132881.db2.gz BLSKIPDNFTZTSY-LBPRGKRZSA-N 1 1 309.366 2.016 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000413446766 530055110 /nfs/dbraw/zinc/05/51/10/530055110.db2.gz VCDNSFOMONQBQB-JTQLQIEISA-N 1 1 309.395 2.448 20 5 DEBDMO CCOC(=O)c1cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000615496264 362621079 /nfs/dbraw/zinc/62/10/79/362621079.db2.gz PNPOZNNOONMELA-NEPJUHHUSA-N 1 1 321.377 2.300 20 5 DEBDMO CC[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181986667 199371562 /nfs/dbraw/zinc/37/15/62/199371562.db2.gz BHTDBNPYWZNCLC-LBPRGKRZSA-N 1 1 312.391 2.100 20 5 DEBDMO CC[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181986667 199371564 /nfs/dbraw/zinc/37/15/64/199371564.db2.gz BHTDBNPYWZNCLC-LBPRGKRZSA-N 1 1 312.391 2.100 20 5 DEBDMO Cn1ccnc1[C@@H]([NH2+]C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272543210 209955921 /nfs/dbraw/zinc/95/59/21/209955921.db2.gz PLPBHGCHDQXNDX-HNNXBMFYSA-N 1 1 316.361 2.186 20 5 DEBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000331304815 233013794 /nfs/dbraw/zinc/01/37/94/233013794.db2.gz YLVCSYJLWWVPTP-UHIISALHSA-N 1 1 321.377 2.459 20 5 DEBDMO C[C@H]1[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOC1(C)C ZINC000331348046 233138085 /nfs/dbraw/zinc/13/80/85/233138085.db2.gz MSBRXSDPLCVZIR-GFCCVEGCSA-N 1 1 321.377 2.423 20 5 DEBDMO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000287077357 219299374 /nfs/dbraw/zinc/29/93/74/219299374.db2.gz WELVJOQMOAYQNK-CQSZACIVSA-N 1 1 307.350 2.305 20 5 DEBDMO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000287077357 219299376 /nfs/dbraw/zinc/29/93/76/219299376.db2.gz WELVJOQMOAYQNK-CQSZACIVSA-N 1 1 307.350 2.305 20 5 DEBDMO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000139725303 186024177 /nfs/dbraw/zinc/02/41/77/186024177.db2.gz GZNDWDBXUSCZSF-RISCZKNCSA-N 1 1 306.366 2.049 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@H+]1C ZINC000141955991 186030929 /nfs/dbraw/zinc/03/09/29/186030929.db2.gz LDKDVBXLROBKTQ-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@@H+]1C ZINC000141955991 186030931 /nfs/dbraw/zinc/03/09/31/186030931.db2.gz LDKDVBXLROBKTQ-AOOOYVTPSA-N 1 1 311.769 2.413 20 5 DEBDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000140657671 186027923 /nfs/dbraw/zinc/02/79/23/186027923.db2.gz IREYWXLNUUYGCD-ZIAGYGMSSA-N 1 1 310.398 2.317 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@H+]1C ZINC000149461453 186050171 /nfs/dbraw/zinc/05/01/71/186050171.db2.gz RQRLFMAWYWNANW-NXEZZACHSA-N 1 1 311.769 2.461 20 5 DEBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152663209 186095155 /nfs/dbraw/zinc/09/51/55/186095155.db2.gz GORCSITVEWSMTE-JTQLQIEISA-N 1 1 323.780 2.462 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](C)(O)CC1 ZINC000280028262 215322073 /nfs/dbraw/zinc/32/20/73/215322073.db2.gz KTHVRCIUUUKTCK-MLGOLLRUSA-N 1 1 321.377 2.159 20 5 DEBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000269573703 186389174 /nfs/dbraw/zinc/38/91/74/186389174.db2.gz UQSJHCFQNNEVGH-LBPRGKRZSA-N 1 1 308.382 2.021 20 5 DEBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000172172506 198052009 /nfs/dbraw/zinc/05/20/09/198052009.db2.gz MNWGDLWNNILPIK-GFCCVEGCSA-N 1 1 307.350 2.034 20 5 DEBDMO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000172172506 198052010 /nfs/dbraw/zinc/05/20/10/198052010.db2.gz MNWGDLWNNILPIK-GFCCVEGCSA-N 1 1 307.350 2.034 20 5 DEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000072693536 191216029 /nfs/dbraw/zinc/21/60/29/191216029.db2.gz GBKJSJPTAONRIB-FZMZJTMJSA-N 1 1 303.362 2.458 20 5 DEBDMO COC[C@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173742341 198246936 /nfs/dbraw/zinc/24/69/36/198246936.db2.gz NTAOWXRRBKTGGR-ZDUSSCGKSA-N 1 1 324.377 2.341 20 5 DEBDMO CCc1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000174120173 198294075 /nfs/dbraw/zinc/29/40/75/198294075.db2.gz XFCHDXXQUPTPKY-GFCCVEGCSA-N 1 1 317.389 2.371 20 5 DEBDMO CCC[NH+](CCC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182168405 199397461 /nfs/dbraw/zinc/39/74/61/199397461.db2.gz NLSZSGAHPAIUSJ-UHFFFAOYSA-N 1 1 314.407 2.491 20 5 DEBDMO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000047794795 354331158 /nfs/dbraw/zinc/33/11/58/354331158.db2.gz GPNRTMRRGSOJCX-ZDUSSCGKSA-N 1 1 307.350 2.305 20 5 DEBDMO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000047794795 354331161 /nfs/dbraw/zinc/33/11/61/354331161.db2.gz GPNRTMRRGSOJCX-ZDUSSCGKSA-N 1 1 307.350 2.305 20 5 DEBDMO Cc1nn(C)c(NCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000053582808 354438971 /nfs/dbraw/zinc/43/89/71/354438971.db2.gz JSLLWUAXDPKJEB-UHFFFAOYSA-N 1 1 303.366 2.181 20 5 DEBDMO Cc1nn(C)c(NCC[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000053580044 354439208 /nfs/dbraw/zinc/43/92/08/354439208.db2.gz VSWLMLYQSAAVQC-UHFFFAOYSA-N 1 1 321.406 2.168 20 5 DEBDMO Cc1nn(C)c(NCC[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000053580044 354439210 /nfs/dbraw/zinc/43/92/10/354439210.db2.gz VSWLMLYQSAAVQC-UHFFFAOYSA-N 1 1 321.406 2.168 20 5 DEBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000064020631 354661397 /nfs/dbraw/zinc/66/13/97/354661397.db2.gz PDOWKVRPGGCAGP-OAHLLOKOSA-N 1 1 308.378 2.457 20 5 DEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000066137380 354701301 /nfs/dbraw/zinc/70/13/01/354701301.db2.gz CQWCWMAYLWSVOL-LLVKDONJSA-N 1 1 309.366 2.064 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000067631548 354771016 /nfs/dbraw/zinc/77/10/16/354771016.db2.gz QARRRHABEAPHRG-CYBMUJFWSA-N 1 1 305.378 2.363 20 5 DEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](O)C1 ZINC000066863082 354736422 /nfs/dbraw/zinc/73/64/22/354736422.db2.gz UDKZVXFYHDQLQP-MFKMUULPSA-N 1 1 318.333 2.163 20 5 DEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](O)C1 ZINC000066863082 354736424 /nfs/dbraw/zinc/73/64/24/354736424.db2.gz UDKZVXFYHDQLQP-MFKMUULPSA-N 1 1 318.333 2.163 20 5 DEBDMO C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000068084503 354795446 /nfs/dbraw/zinc/79/54/46/354795446.db2.gz CLTLHPPFUPQXJZ-RYUDHWBXSA-N 1 1 320.393 2.027 20 5 DEBDMO O=C(C[N@H+](CCO)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000071080317 354896139 /nfs/dbraw/zinc/89/61/39/354896139.db2.gz LTNIYUAXOPLHKR-UHFFFAOYSA-N 1 1 321.377 2.160 20 5 DEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000075744783 355105257 /nfs/dbraw/zinc/10/52/57/355105257.db2.gz SEJMTFKZOXLECK-OLZOCXBDSA-N 1 1 318.377 2.145 20 5 DEBDMO Cc1ccc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000080640964 355377122 /nfs/dbraw/zinc/37/71/22/355377122.db2.gz BHLTUEKSFWYJSW-OAHLLOKOSA-N 1 1 318.421 2.119 20 5 DEBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H](O)C1CCCCC1)CC2 ZINC000332645540 235236430 /nfs/dbraw/zinc/23/64/30/235236430.db2.gz WVQISFJYIWGJSC-MRXNPFEDSA-N 1 1 305.378 2.289 20 5 DEBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H](O)C1CCCCC1)CC2 ZINC000332645540 235236433 /nfs/dbraw/zinc/23/64/33/235236433.db2.gz WVQISFJYIWGJSC-MRXNPFEDSA-N 1 1 305.378 2.289 20 5 DEBDMO CCc1nn(C)c(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000091739231 355607503 /nfs/dbraw/zinc/60/75/03/355607503.db2.gz USRXZCBAMRXFJG-LBPRGKRZSA-N 1 1 309.414 2.281 20 5 DEBDMO CC[C@H](C)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182148001 356111980 /nfs/dbraw/zinc/11/19/80/356111980.db2.gz DJSIZPSAZCUDDC-NSHDSACASA-N 1 1 300.380 2.099 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182148001 356111984 /nfs/dbraw/zinc/11/19/84/356111984.db2.gz DJSIZPSAZCUDDC-NSHDSACASA-N 1 1 300.380 2.099 20 5 DEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CO)CC1 ZINC000293079985 356387680 /nfs/dbraw/zinc/38/76/80/356387680.db2.gz JRJDINGVFBBGSQ-CHWSQXEVSA-N 1 1 321.377 2.016 20 5 DEBDMO CC(C)[N@@H+](C)C[C@H](O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000324172248 356457076 /nfs/dbraw/zinc/45/70/76/356457076.db2.gz VRIIVLWVCKPCOV-LBPRGKRZSA-N 1 1 319.361 2.223 20 5 DEBDMO CCC[N@@H+](CC)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000175365212 283170456 /nfs/dbraw/zinc/17/04/56/283170456.db2.gz TXEQBKBTCFLBCP-UHFFFAOYSA-N 1 1 322.409 2.168 20 5 DEBDMO CCOc1cc(C[N@H+](CC(N)=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000276938909 213188612 /nfs/dbraw/zinc/18/86/12/213188612.db2.gz SBBGUMFEEHIPTB-UHFFFAOYSA-N 1 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OUVYYKWZNLPVSQ-LLVKDONJSA-N 1 1 301.350 2.068 20 5 DEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000591004645 357658963 /nfs/dbraw/zinc/65/89/63/357658963.db2.gz FIGYSZPZQGMGPI-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000591004645 357658966 /nfs/dbraw/zinc/65/89/66/357658966.db2.gz FIGYSZPZQGMGPI-NSHDSACASA-N 1 1 323.418 2.483 20 5 DEBDMO O=[N+]([O-])c1ccccc1OCCN(C1CC1)C1CC[NH2+]CC1 ZINC000592471228 357882512 /nfs/dbraw/zinc/88/25/12/357882512.db2.gz NTFCEQZMCDZKTR-UHFFFAOYSA-N 1 1 305.378 2.190 20 5 DEBDMO CCCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592830018 357953220 /nfs/dbraw/zinc/95/32/20/357953220.db2.gz AUALAEGQBHMVNQ-CQSZACIVSA-N 1 1 305.378 2.080 20 5 DEBDMO Cc1c(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000593187416 358029626 /nfs/dbraw/zinc/02/96/26/358029626.db2.gz KEIFTLQOUGCMEL-WXHSDQCUSA-N 1 1 305.378 2.456 20 5 DEBDMO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000594417720 358263382 /nfs/dbraw/zinc/26/33/82/358263382.db2.gz FGLFZHGKKZTIMX-LSDHHAIUSA-N 1 1 319.361 2.047 20 5 DEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000594417720 358263385 /nfs/dbraw/zinc/26/33/85/358263385.db2.gz FGLFZHGKKZTIMX-LSDHHAIUSA-N 1 1 319.361 2.047 20 5 DEBDMO CC(C)Oc1nc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000594576826 358296049 /nfs/dbraw/zinc/29/60/49/358296049.db2.gz BGTQIRVHGXDOOK-GXTWGEPZSA-N 1 1 320.393 2.307 20 5 DEBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595674528 358518901 /nfs/dbraw/zinc/51/89/01/358518901.db2.gz LDMYGXUISFWVNM-KGLIPLIRSA-N 1 1 308.378 2.457 20 5 DEBDMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595296720 358415696 /nfs/dbraw/zinc/41/56/96/358415696.db2.gz HNNQEYZEITUKEY-LBPRGKRZSA-N 1 1 309.341 2.082 20 5 DEBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595296720 358415698 /nfs/dbraw/zinc/41/56/98/358415698.db2.gz HNNQEYZEITUKEY-LBPRGKRZSA-N 1 1 309.341 2.082 20 5 DEBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1C ZINC000596135213 358619230 /nfs/dbraw/zinc/61/92/30/358619230.db2.gz FJUQNUALFMHXJD-WCQYABFASA-N 1 1 320.393 2.003 20 5 DEBDMO C[N@@H+](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000596150044 358622794 /nfs/dbraw/zinc/62/27/94/358622794.db2.gz DGGWSBQNWMDJHM-UHFFFAOYSA-N 1 1 320.324 2.378 20 5 DEBDMO C[N@@H+](CCCn1ccnc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000181086263 199251274 /nfs/dbraw/zinc/25/12/74/199251274.db2.gz WVRBSAFNLYCBIA-UHFFFAOYSA-N 1 1 315.333 2.455 20 5 DEBDMO CCCn1nccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597114981 358827108 /nfs/dbraw/zinc/82/71/08/358827108.db2.gz FWJLMKWIZASPDU-UHFFFAOYSA-N 1 1 314.349 2.367 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc2n1CCC2 ZINC000597121029 358828552 /nfs/dbraw/zinc/82/85/52/358828552.db2.gz MHRPIQIHZBLTOU-UHFFFAOYSA-N 1 1 300.362 2.412 20 5 DEBDMO CNc1c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597923242 359042482 /nfs/dbraw/zinc/04/24/82/359042482.db2.gz NPMYPNVCDNCYSC-NSHDSACASA-N 1 1 320.393 2.239 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598342021 359169182 /nfs/dbraw/zinc/16/91/82/359169182.db2.gz JYKUGFXAXUEJAX-NEPJUHHUSA-N 1 1 323.368 2.438 20 5 DEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000598979835 359374553 /nfs/dbraw/zinc/37/45/53/359374553.db2.gz PYXYCODLBKANMG-AWEZNQCLSA-N 1 1 320.393 2.126 20 5 DEBDMO CO[C@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599093144 359402198 /nfs/dbraw/zinc/40/21/98/359402198.db2.gz PCQOROZVSQGLBM-BPLDGKMQSA-N 1 1 316.361 2.185 20 5 DEBDMO CCC(O)(CC)C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599673055 359565391 /nfs/dbraw/zinc/56/53/91/359565391.db2.gz IVSOLSGIYKUXQT-UHFFFAOYSA-N 1 1 309.366 2.016 20 5 DEBDMO CCC(O)(CC)C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599673055 359565394 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DEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000602071799 360255331 /nfs/dbraw/zinc/25/53/31/360255331.db2.gz GPFYEHBIWFRWOC-HNNXBMFYSA-N 1 1 303.362 2.228 20 5 DEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000602084054 360258710 /nfs/dbraw/zinc/25/87/10/360258710.db2.gz OXLVMVXPMVNXAN-INIZCTEOSA-N 1 1 317.389 2.270 20 5 DEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602292063 360332072 /nfs/dbraw/zinc/33/20/72/360332072.db2.gz LLKGRTBYLFRELS-AAEUAGOBSA-N 1 1 321.352 2.290 20 5 DEBDMO C[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000602637682 360471390 /nfs/dbraw/zinc/47/13/90/360471390.db2.gz OUXFSQBCDKYSTQ-MNOVXSKESA-N 1 1 303.366 2.043 20 5 DEBDMO CN(C)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000602658454 360479763 /nfs/dbraw/zinc/47/97/63/360479763.db2.gz YDCCUWYPRKEVEI-KRWDZBQOSA-N 1 1 321.421 2.180 20 5 DEBDMO CN(C)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000602658454 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C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000299076064 403515209 /nfs/dbraw/zinc/51/52/09/403515209.db2.gz HTCANWJGSDNJLE-KBPBESRZSA-N 1 1 319.405 2.374 20 5 DEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000343543636 403631105 /nfs/dbraw/zinc/63/11/05/403631105.db2.gz IWPHTUNIXKJZSU-HNNXBMFYSA-N 1 1 305.378 2.128 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000301557774 403647581 /nfs/dbraw/zinc/64/75/81/403647581.db2.gz SUCZQGFQESMISQ-ZDUSSCGKSA-N 1 1 320.393 2.241 20 5 DEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000294157565 403661106 /nfs/dbraw/zinc/66/11/06/403661106.db2.gz NUBSXOZFVOKQKC-QGZVFWFLSA-N 1 1 317.389 2.082 20 5 DEBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000343626050 403667832 /nfs/dbraw/zinc/66/78/32/403667832.db2.gz XPDLFEHFZCEBJF-CQSZACIVSA-N 1 1 323.368 2.267 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)NC1CC1 ZINC000347341711 403671623 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CC(C)C[C@H]1CCCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304335768 403783094 /nfs/dbraw/zinc/78/30/94/403783094.db2.gz WVLWEVMESFMSFK-GDBMZVCRSA-N 1 1 324.425 2.443 20 5 DEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000288966610 403801681 /nfs/dbraw/zinc/80/16/81/403801681.db2.gz YFOKOMQITKVWKK-NSHDSACASA-N 1 1 309.370 2.232 20 5 DEBDMO C[C@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000362446999 403956337 /nfs/dbraw/zinc/95/63/37/403956337.db2.gz JNYWQSPRKJKLJS-ZOWXZIJZSA-N 1 1 303.362 2.288 20 5 DEBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411865347 403998793 /nfs/dbraw/zinc/99/87/93/403998793.db2.gz FUKYCQFICVLRAG-JKSUJKDBSA-N 1 1 317.389 2.299 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411936287 404022156 /nfs/dbraw/zinc/02/21/56/404022156.db2.gz FLCXYIPOXGKWBV-OLZOCXBDSA-N 1 1 305.378 2.374 20 5 DEBDMO CC[C@H](C)[N@@H+](C)CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000322975177 404089073 /nfs/dbraw/zinc/08/90/73/404089073.db2.gz KZEHVZBSQALMSS-JTQLQIEISA-N 1 1 319.365 2.386 20 5 DEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000344432586 404132230 /nfs/dbraw/zinc/13/22/30/404132230.db2.gz UBEFZMHOMZGFRG-BETUJISGSA-N 1 1 305.378 2.458 20 5 DEBDMO COC[C@]1(C(=O)OC)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000296313257 404191445 /nfs/dbraw/zinc/19/14/45/404191445.db2.gz OHOSQTGHAOZOEJ-LRDDRELGSA-N 1 1 322.361 2.167 20 5 DEBDMO COC[C@@]1(C(=O)OC)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000296313258 404191655 /nfs/dbraw/zinc/19/16/55/404191655.db2.gz OHOSQTGHAOZOEJ-MLGOLLRUSA-N 1 1 322.361 2.167 20 5 DEBDMO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+]1Cc1ccccc1 ZINC000413529035 404430549 /nfs/dbraw/zinc/43/05/49/404430549.db2.gz FYRSKJUXMALFNU-ZDUSSCGKSA-N 1 1 315.377 2.039 20 5 DEBDMO CCCC[N@@H+](C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000352673313 404537186 /nfs/dbraw/zinc/53/71/86/404537186.db2.gz DLTPNZJISFNWMU-UHFFFAOYSA-N 1 1 308.382 2.126 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000291837110 404544821 /nfs/dbraw/zinc/54/48/21/404544821.db2.gz IVRAJZFSJGZVRP-CYBMUJFWSA-N 1 1 322.409 2.242 20 5 DEBDMO C[NH+](C)C1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000567486349 292317762 /nfs/dbraw/zinc/31/77/62/292317762.db2.gz GOQJMSMKLDTVIG-HNNXBMFYSA-N 1 1 319.405 2.283 20 5 DEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000414498589 404658831 /nfs/dbraw/zinc/65/88/31/404658831.db2.gz NCHKXAAHUZERMW-GLNPCMGASA-N 1 1 317.389 2.408 20 5 DEBDMO C[C@H]1CC[C@H]([N@@H+](CCO)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000351620051 404674135 /nfs/dbraw/zinc/67/41/35/404674135.db2.gz LTSICKWPVGUXDT-ZFWWWQNUSA-N 1 1 308.378 2.457 20 5 DEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC[C@H]1CCCO1 ZINC000342612769 404678804 /nfs/dbraw/zinc/67/88/04/404678804.db2.gz YTKOTRVJUKXSSE-CQSZACIVSA-N 1 1 321.377 2.343 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000330586788 404694155 /nfs/dbraw/zinc/69/41/55/404694155.db2.gz SRIMFUJZZMMQNN-ZIAGYGMSSA-N 1 1 307.394 2.388 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC1(O)CCC1 ZINC000353467715 404838325 /nfs/dbraw/zinc/83/83/25/404838325.db2.gz MXQUMDRWXCJHFW-UHFFFAOYSA-N 1 1 321.377 2.079 20 5 DEBDMO O=C1C[C@]2(CN1)CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000353747356 404954588 /nfs/dbraw/zinc/95/45/88/404954588.db2.gz AAMXDLJGAYVQLW-SVEBXFOSSA-N 1 1 315.373 2.210 20 5 DEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000361222271 404981125 /nfs/dbraw/zinc/98/11/25/404981125.db2.gz WTFFDNKKUPCDOH-LBPRGKRZSA-N 1 1 320.393 2.241 20 5 DEBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000378511325 404987658 /nfs/dbraw/zinc/98/76/58/404987658.db2.gz LKCTYQDIIANOMN-UHFFFAOYSA-N 1 1 321.352 2.434 20 5 DEBDMO CCOc1ccc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000354002322 404993947 /nfs/dbraw/zinc/99/39/47/404993947.db2.gz OLCLAGZEBHEFSR-LBPRGKRZSA-N 1 1 321.377 2.160 20 5 DEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000408071573 405104533 /nfs/dbraw/zinc/10/45/33/405104533.db2.gz QFZHVOJXTHSSFU-WDEREUQCSA-N 1 1 316.361 2.241 20 5 DEBDMO C[C@@H]1[C@H](C)N(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000408275775 405158691 /nfs/dbraw/zinc/15/86/91/405158691.db2.gz CYTWJTJPBKIMRL-ZJUUUORDSA-N 1 1 310.329 2.290 20 5 DEBDMO CCc1nn(C)c(NCCNc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000354338370 405164211 /nfs/dbraw/zinc/16/42/11/405164211.db2.gz FQWCHGYGBAQMGI-UHFFFAOYSA-N 1 1 304.354 2.118 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000453016669 405274552 /nfs/dbraw/zinc/27/45/52/405274552.db2.gz WQRSBSZIBHLATB-DOMZBBRYSA-N 1 1 317.389 2.035 20 5 DEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000439468591 405280303 /nfs/dbraw/zinc/28/03/03/405280303.db2.gz LMSWWKAWUJAKHH-OAHLLOKOSA-N 1 1 321.377 2.424 20 5 DEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000368053665 405223525 /nfs/dbraw/zinc/22/35/25/405223525.db2.gz HAGGLAKZXFNIKA-INIZCTEOSA-N 1 1 308.378 2.444 20 5 DEBDMO CNC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000426347645 405353038 /nfs/dbraw/zinc/35/30/38/405353038.db2.gz VQFHJDYZTGRLFG-LRDDRELGSA-N 1 1 313.357 2.408 20 5 DEBDMO Cc1c(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000421033768 405437216 /nfs/dbraw/zinc/43/72/16/405437216.db2.gz AZUSFFPPYIOCEC-LBPRGKRZSA-N 1 1 306.366 2.461 20 5 DEBDMO CNC(=O)[C@]1(C)CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000430772609 405506592 /nfs/dbraw/zinc/50/65/92/405506592.db2.gz MQQVQNDSULWAEY-HOFZKYPUSA-N 1 1 317.389 2.456 20 5 DEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421714555 405611354 /nfs/dbraw/zinc/61/13/54/405611354.db2.gz VTLWJRUNPFILFK-GFCCVEGCSA-N 1 1 321.377 2.160 20 5 DEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493836593 405583705 /nfs/dbraw/zinc/58/37/05/405583705.db2.gz MVGXDIMJLRKBOZ-XVJNWHFHSA-N 1 1 303.362 2.161 20 5 DEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000457093651 405695102 /nfs/dbraw/zinc/69/51/02/405695102.db2.gz YLPOKNGRFRFGCT-OAHLLOKOSA-N 1 1 305.378 2.078 20 5 DEBDMO CCn1nc(C)c([N+](=O)[O-])c1NCc1c[nH+]c2n1CCCC2 ZINC000561351486 405920429 /nfs/dbraw/zinc/92/04/29/405920429.db2.gz JDLNDQFOTUQTBP-UHFFFAOYSA-N 1 1 304.354 2.265 20 5 DEBDMO CCNC(=O)C[N@@H+](CC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470171311 406100091 /nfs/dbraw/zinc/10/00/91/406100091.db2.gz IFADAEQIDVXUGD-UKTHLTGXSA-N 1 1 305.378 2.456 20 5 DEBDMO C[N@@H+](CCOc1ccccc1Cl)CCn1cc([N+](=O)[O-])cn1 ZINC000471721457 406112219 /nfs/dbraw/zinc/11/22/19/406112219.db2.gz UYTCBHZODGJBRD-UHFFFAOYSA-N 1 1 324.768 2.456 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000533292422 406134052 /nfs/dbraw/zinc/13/40/52/406134052.db2.gz JYMIDFALLHVAAF-QWRGUYRKSA-N 1 1 307.350 2.272 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000533292422 406134054 /nfs/dbraw/zinc/13/40/54/406134054.db2.gz JYMIDFALLHVAAF-QWRGUYRKSA-N 1 1 307.350 2.272 20 5 DEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000569659219 406283398 /nfs/dbraw/zinc/28/33/98/406283398.db2.gz VNYPOHRBXTYFDE-CJNGLKHVSA-N 1 1 319.405 2.497 20 5 DEBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000520422644 406292258 /nfs/dbraw/zinc/29/22/58/406292258.db2.gz GRXXDGPLGDDRKU-UHFFFAOYSA-N 1 1 322.409 2.126 20 5 DEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000572832741 406746434 /nfs/dbraw/zinc/74/64/34/406746434.db2.gz HZDOWWFUDUHGCW-GFCCVEGCSA-N 1 1 306.366 2.461 20 5 DEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491886497 406764026 /nfs/dbraw/zinc/76/40/26/406764026.db2.gz OQLUZRGRISWGIO-WSROAFLRSA-N 1 1 303.362 2.161 20 5 DEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OCCO)CC2)c(Cl)c1 ZINC000129338564 196040631 /nfs/dbraw/zinc/04/06/31/196040631.db2.gz KNOPKHCHVIDZKB-UHFFFAOYSA-N 1 1 314.769 2.222 20 5 DEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000421891374 230015960 /nfs/dbraw/zinc/01/59/60/230015960.db2.gz KPLWRXGLMNGJOR-UHFFFAOYSA-N 1 1 303.362 2.203 20 5 DEBDMO C[N@H+]1CCC[C@H](CCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000591179097 424999866 /nfs/dbraw/zinc/99/98/66/424999866.db2.gz FGMXZQDADXPYAN-GFCCVEGCSA-N 1 1 315.377 2.682 20 5 DEBDMO Cn1c[nH+]cc1C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001348605853 1151174985 /nfs/dbraw/zinc/17/49/85/1151174985.db2.gz ZMYRLKFTXIXVDR-UHFFFAOYSA-N 1 1 305.313 2.246 20 5 DEBDMO Cc1nc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596559175 425027228 /nfs/dbraw/zinc/02/72/28/425027228.db2.gz XRQFJPAAPAZCHQ-HNNXBMFYSA-N 1 1 312.373 2.985 20 5 DEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)s1 ZINC000596558104 425027595 /nfs/dbraw/zinc/02/75/95/425027595.db2.gz NGCSNSZWMPHDKJ-LBPRGKRZSA-N 1 1 304.375 2.738 20 5 DEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)s1 ZINC000596558104 425027600 /nfs/dbraw/zinc/02/76/00/425027600.db2.gz NGCSNSZWMPHDKJ-LBPRGKRZSA-N 1 1 304.375 2.738 20 5 DEBDMO CC(C)Oc1nc(NC[C@@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599141819 425043681 /nfs/dbraw/zinc/04/36/81/425043681.db2.gz RRRSYZOWDWYGGZ-ZDUSSCGKSA-N 1 1 322.409 2.921 20 5 DEBDMO CC[N@H+]1CCC[C@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450212767 425065139 /nfs/dbraw/zinc/06/51/39/425065139.db2.gz CUNVUCGWWNGGEU-AWEZNQCLSA-N 1 1 300.362 3.039 20 5 DEBDMO C[C@H]1[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CCC[N@H+]1C ZINC000450443751 425073539 /nfs/dbraw/zinc/07/35/39/425073539.db2.gz VXNOJAUDPNXRCB-XHDPSFHLSA-N 1 1 300.362 3.038 20 5 DEBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCO[C@H]1C ZINC000430242118 269128318 /nfs/dbraw/zinc/12/83/18/269128318.db2.gz HZCFWCSLNIVUDT-WFASDCNBSA-N 1 1 324.377 2.229 20 5 DEBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCO[C@H]1C ZINC000430242118 269128319 /nfs/dbraw/zinc/12/83/19/269128319.db2.gz HZCFWCSLNIVUDT-WFASDCNBSA-N 1 1 324.377 2.229 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000514770956 269331038 /nfs/dbraw/zinc/33/10/38/269331038.db2.gz RCHSGAVFAFRDHM-SWLSCSKDSA-N 1 1 305.378 2.299 20 5 DEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@@H+](C)C1CC1 ZINC000341847991 274000796 /nfs/dbraw/zinc/00/07/96/274000796.db2.gz UFZPOILHLIVIAI-UHFFFAOYSA-N 1 1 307.350 2.196 20 5 DEBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000177868739 274301657 /nfs/dbraw/zinc/30/16/57/274301657.db2.gz ZXJREOLWKZPMOQ-VXGBXAGGSA-N 1 1 303.362 2.214 20 5 DEBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000343060019 275034344 /nfs/dbraw/zinc/03/43/44/275034344.db2.gz ZVWADCLZLVRTJH-MRVPVSSYSA-N 1 1 316.346 2.223 20 5 DEBDMO CCC[C@@]1(C)C(=O)NCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000187325972 276035942 /nfs/dbraw/zinc/03/59/42/276035942.db2.gz QAPGXNPFWAZBOP-INIZCTEOSA-N 1 1 305.378 2.128 20 5 DEBDMO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000187325972 276035944 /nfs/dbraw/zinc/03/59/44/276035944.db2.gz QAPGXNPFWAZBOP-INIZCTEOSA-N 1 1 305.378 2.128 20 5 DEBDMO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000442958228 276354033 /nfs/dbraw/zinc/35/40/33/276354033.db2.gz BFHCHRRGFJLQLT-AWEZNQCLSA-N 1 1 305.378 2.429 20 5 DEBDMO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000442958228 276354035 /nfs/dbraw/zinc/35/40/35/276354035.db2.gz BFHCHRRGFJLQLT-AWEZNQCLSA-N 1 1 305.378 2.429 20 5 DEBDMO COc1cccc(N2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000373484241 278016804 /nfs/dbraw/zinc/01/68/04/278016804.db2.gz XILXRHRXDNLAHT-LLVKDONJSA-N 1 1 302.334 2.331 20 5 DEBDMO C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000180929799 278281340 /nfs/dbraw/zinc/28/13/40/278281340.db2.gz XBGVTAFRVJUZTD-RYUDHWBXSA-N 1 1 320.393 2.027 20 5 DEBDMO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000299082145 278282008 /nfs/dbraw/zinc/28/20/08/278282008.db2.gz XRMPOIGEPPGRMV-OLZOCXBDSA-N 1 1 305.378 2.445 20 5 DEBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000429787250 278378075 /nfs/dbraw/zinc/37/80/75/278378075.db2.gz OOXHAHFZXXOEIK-UONOGXRCSA-N 1 1 308.378 2.457 20 5 DEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134501694 282044143 /nfs/dbraw/zinc/04/41/43/282044143.db2.gz LLPOQGIKCUBMDM-GFCCVEGCSA-N 1 1 323.368 2.442 20 5 DEBDMO COc1ccc(NC(=O)NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001349859631 1151299863 /nfs/dbraw/zinc/29/98/63/1151299863.db2.gz INKYKRDFKARSMA-UHFFFAOYSA-N 1 1 310.354 2.065 20 5 DEBDMO Cc1cc(NC(=O)NCC[N@@H+]2CC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC001350263483 1151339212 /nfs/dbraw/zinc/33/92/12/1151339212.db2.gz XGMXFVWSEUCTDG-NSHDSACASA-N 1 1 306.366 2.367 20 5 DEBDMO C[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000573744979 326088462 /nfs/dbraw/zinc/08/84/62/326088462.db2.gz WGNOWWYVCFZUKK-MBNYWOFBSA-N 1 1 317.389 2.440 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000574170479 326130035 /nfs/dbraw/zinc/13/00/35/326130035.db2.gz NPNBXMQTMCAFKH-CQSZACIVSA-N 1 1 318.377 2.159 20 5 DEBDMO C[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000575800959 326246522 /nfs/dbraw/zinc/24/65/22/326246522.db2.gz WFFVNWHAMKBLFH-KGLIPLIRSA-N 1 1 319.405 2.499 20 5 DEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000575845631 326249817 /nfs/dbraw/zinc/24/98/17/326249817.db2.gz VLNDHYYBFSOBEE-GFCCVEGCSA-N 1 1 308.382 2.123 20 5 DEBDMO C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[N@H+]1CCC[C@H](C)C1 ZINC000301910580 534091628 /nfs/dbraw/zinc/09/16/28/534091628.db2.gz GESZDCNUJXYRAL-RYUDHWBXSA-N 1 1 318.381 2.170 20 5 DEBDMO CCN1CCC([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000157498723 521560711 /nfs/dbraw/zinc/56/07/11/521560711.db2.gz VWWXLUMJHNTQTJ-UHFFFAOYSA-N 1 1 307.394 2.390 20 5 DEBDMO CC[NH+]1CCC(N(C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000157498723 521560719 /nfs/dbraw/zinc/56/07/19/521560719.db2.gz VWWXLUMJHNTQTJ-UHFFFAOYSA-N 1 1 307.394 2.390 20 5 DEBDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000337418276 523837303 /nfs/dbraw/zinc/83/73/03/523837303.db2.gz ADXPLJKTZSBBBK-BMIGLBTASA-N 1 1 310.325 2.365 20 5 DEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](OCCO)C1 ZINC000245532575 526088891 /nfs/dbraw/zinc/08/88/91/526088891.db2.gz UTPCDWADBTYUKH-DZGCQCFKSA-N 1 1 308.378 2.438 20 5 DEBDMO CCOc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330792510 528394343 /nfs/dbraw/zinc/39/43/43/528394343.db2.gz USNHJLFMVNOWIT-TXEJJXNPSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330792510 528394348 /nfs/dbraw/zinc/39/43/48/528394348.db2.gz USNHJLFMVNOWIT-TXEJJXNPSA-N 1 1 321.377 2.158 20 5 DEBDMO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444689775 528865954 /nfs/dbraw/zinc/86/59/54/528865954.db2.gz PFINYIDFFPBKBQ-SNVBAGLBSA-N 1 1 320.349 2.245 20 5 DEBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444689775 528865960 /nfs/dbraw/zinc/86/59/60/528865960.db2.gz PFINYIDFFPBKBQ-SNVBAGLBSA-N 1 1 320.349 2.245 20 5 DEBDMO C[NH+](C)Cc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)ccc1Cl ZINC000355659871 535992144 /nfs/dbraw/zinc/99/21/44/535992144.db2.gz COPJJWHYOHBNEQ-UHFFFAOYSA-N 1 1 323.740 2.285 20 5 DEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000356248770 536394616 /nfs/dbraw/zinc/39/46/16/536394616.db2.gz CMADWDGWVCNXGO-INIZCTEOSA-N 1 1 321.352 2.292 20 5 DEBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C[C@@H]21 ZINC000450780150 536468381 /nfs/dbraw/zinc/46/83/81/536468381.db2.gz PJAQNTSMUJLCNR-SKDRFNHKSA-N 1 1 313.304 2.337 20 5 DEBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCF)c1 ZINC000308916937 624774269 /nfs/dbraw/zinc/77/42/69/624774269.db2.gz HTAUCJHHXDYHKS-UHFFFAOYSA-N 1 1 324.093 2.259 20 5 DEBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000892085235 624775454 /nfs/dbraw/zinc/77/54/54/624775454.db2.gz KYKKRTGJHXZCQQ-NWDGAFQWSA-N 1 1 323.393 2.224 20 5 DEBDMO C[C@@H](NC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000892113116 624785344 /nfs/dbraw/zinc/78/53/44/624785344.db2.gz WKNVDKROMGIKIX-IUODEOHRSA-N 1 1 320.393 2.391 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000892145826 624795923 /nfs/dbraw/zinc/79/59/23/624795923.db2.gz SZDXZHZCEVZORA-DGCLKSJQSA-N 1 1 322.361 2.167 20 5 DEBDMO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C)C2)cc1C ZINC000892319967 625092766 /nfs/dbraw/zinc/09/27/66/625092766.db2.gz RFXRXITUKNUHLK-GFCCVEGCSA-N 1 1 321.377 2.444 20 5 DEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000996429341 633260336 /nfs/dbraw/zinc/26/03/36/633260336.db2.gz QDBUWCQFJYPTTF-HZPDHXFCSA-N 1 1 323.437 2.203 20 5 DEBDMO CNC(=O)C1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000734838172 633432281 /nfs/dbraw/zinc/43/22/81/633432281.db2.gz NIAAXWPMWUJOIX-UHFFFAOYSA-N 1 1 311.769 2.397 20 5 DEBDMO O=C(C1CCC1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980595774 635057424 /nfs/dbraw/zinc/05/74/24/635057424.db2.gz WBLGDRSMECWYHK-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO O=C(C1CCC1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980595774 635057427 /nfs/dbraw/zinc/05/74/27/635057427.db2.gz WBLGDRSMECWYHK-UHFFFAOYSA-N 1 1 317.389 2.429 20 5 DEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000981136806 635322301 /nfs/dbraw/zinc/32/23/01/635322301.db2.gz HIDWGCXJZYPYKJ-HZPDHXFCSA-N 1 1 323.437 2.156 20 5 DEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CC2CCCCCC2)CC1 ZINC000981136806 635322305 /nfs/dbraw/zinc/32/23/05/635322305.db2.gz HIDWGCXJZYPYKJ-HZPDHXFCSA-N 1 1 323.437 2.156 20 5 DEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000981136806 635322311 /nfs/dbraw/zinc/32/23/11/635322311.db2.gz HIDWGCXJZYPYKJ-HZPDHXFCSA-N 1 1 323.437 2.156 20 5 DEBDMO CC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000981559900 635527148 /nfs/dbraw/zinc/52/71/48/635527148.db2.gz YUUXUMXMKIZSIH-UHFFFAOYSA-N 1 1 303.362 2.039 20 5 DEBDMO CC(=O)N1CC2(C1)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981559800 635527418 /nfs/dbraw/zinc/52/74/18/635527418.db2.gz UVPFGJAKWOOLJM-UHFFFAOYSA-N 1 1 303.362 2.039 20 5 DEBDMO O=C(NC1CC[NH+](CC2CCCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002787886 635796397 /nfs/dbraw/zinc/79/63/97/635796397.db2.gz KUGSPNCHPNMCJA-HZPDHXFCSA-N 1 1 323.437 2.203 20 5 DEBDMO CC[N@H+]1CC[C@H]1CNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000893873515 636052850 /nfs/dbraw/zinc/05/28/50/636052850.db2.gz QKUYVZGYYICZHY-PABFRNLHSA-N 1 1 303.362 2.209 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000893900164 636058051 /nfs/dbraw/zinc/05/80/51/636058051.db2.gz LYSYLYJDRFPKOT-MFKMUULPSA-N 1 1 310.350 2.166 20 5 DEBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000893900164 636058055 /nfs/dbraw/zinc/05/80/55/636058055.db2.gz LYSYLYJDRFPKOT-MFKMUULPSA-N 1 1 310.350 2.166 20 5 DEBDMO COC(OC)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000922311665 636078856 /nfs/dbraw/zinc/07/88/56/636078856.db2.gz JGIRUEXYTOJFAI-QMMMGPOBSA-N 1 1 320.292 2.293 20 5 DEBDMO C[C@@H]1[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000922556979 636239413 /nfs/dbraw/zinc/23/94/13/636239413.db2.gz LKVBWKMMPVIIJB-BXKDBHETSA-N 1 1 315.320 2.378 20 5 DEBDMO C[C@@H]1[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000922556979 636239419 /nfs/dbraw/zinc/23/94/19/636239419.db2.gz LKVBWKMMPVIIJB-BXKDBHETSA-N 1 1 315.320 2.378 20 5 DEBDMO CCO[C@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)CN(C)C ZINC000922753584 636376361 /nfs/dbraw/zinc/37/63/61/636376361.db2.gz QOPGLYITCXBCKK-CQSZACIVSA-N 1 1 309.410 2.268 20 5 DEBDMO O=C(O[C@H]1CC[N@H+](CCF)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000788080885 636752019 /nfs/dbraw/zinc/75/20/19/636752019.db2.gz NRLDZJCKEMIKKZ-NSHDSACASA-N 1 1 321.308 2.277 20 5 DEBDMO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000788080885 636752024 /nfs/dbraw/zinc/75/20/24/636752024.db2.gz NRLDZJCKEMIKKZ-NSHDSACASA-N 1 1 321.308 2.277 20 5 DEBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000894717928 637177905 /nfs/dbraw/zinc/17/79/05/637177905.db2.gz GCAUXONPULIGLG-ZWNOBZJWSA-N 1 1 310.350 2.166 20 5 DEBDMO Cc1[nH+]ccn1CCCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737872777 637370791 /nfs/dbraw/zinc/37/07/91/637370791.db2.gz ZBYVRZRKQIGWHS-UHFFFAOYSA-N 1 1 314.345 2.469 20 5 DEBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)o1 ZINC000895650983 638126038 /nfs/dbraw/zinc/12/60/38/638126038.db2.gz XXUXIGLTGZOGLP-BDJLRTHQSA-N 1 1 300.314 2.421 20 5 DEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@]4(O)C3)o2)cc1 ZINC000895651229 638126252 /nfs/dbraw/zinc/12/62/52/638126252.db2.gz YTIGMFVJNCJYRL-LRDDRELGSA-N 1 1 300.314 2.421 20 5 DEBDMO CC(C)C[N@@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752787866 639220308 /nfs/dbraw/zinc/22/03/08/639220308.db2.gz CWGVZQVUWFAEKC-UHFFFAOYSA-N 1 1 306.366 2.382 20 5 DEBDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788019054 639245082 /nfs/dbraw/zinc/24/50/82/639245082.db2.gz ZNIAMWIIOORRCD-LLVKDONJSA-N 1 1 309.341 2.211 20 5 DEBDMO CC[N@H+](CCOC)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899325 639629305 /nfs/dbraw/zinc/62/93/05/639629305.db2.gz FJQHKKPTFIFQRD-UHFFFAOYSA-N 1 1 304.350 2.384 20 5 DEBDMO CC[N@@H+](CCOC)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899325 639629307 /nfs/dbraw/zinc/62/93/07/639629307.db2.gz FJQHKKPTFIFQRD-UHFFFAOYSA-N 1 1 304.350 2.384 20 5 DEBDMO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839673600 639800700 /nfs/dbraw/zinc/80/07/00/639800700.db2.gz LESQMHNXHLSTTN-ZYHUDNBSSA-N 1 1 309.322 2.096 20 5 DEBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839673600 639800704 /nfs/dbraw/zinc/80/07/04/639800704.db2.gz LESQMHNXHLSTTN-ZYHUDNBSSA-N 1 1 309.322 2.096 20 5 DEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000757541998 639846517 /nfs/dbraw/zinc/84/65/17/639846517.db2.gz JHWSNVCSXMNNDI-IINYFYTJSA-N 1 1 320.418 2.364 20 5 DEBDMO COCCCC[N@@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000841691952 650541527 /nfs/dbraw/zinc/54/15/27/650541527.db2.gz NTBGVXRVZJLOMO-UHFFFAOYSA-N 1 1 319.365 2.169 20 5 DEBDMO O=C1O[C@@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC12CC2 ZINC000763731850 640567259 /nfs/dbraw/zinc/56/72/59/640567259.db2.gz ALTLPUSCEQVFTJ-GFCCVEGCSA-N 1 1 302.330 2.049 20 5 DEBDMO O=C1O[C@@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC12CC2 ZINC000763731850 640567266 /nfs/dbraw/zinc/56/72/66/640567266.db2.gz ALTLPUSCEQVFTJ-GFCCVEGCSA-N 1 1 302.330 2.049 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000169150468 640655192 /nfs/dbraw/zinc/65/51/92/640655192.db2.gz PHGQDWZJMISHDT-UHFFFAOYSA-N 1 1 311.769 2.416 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000771402285 641505917 /nfs/dbraw/zinc/50/59/17/641505917.db2.gz DWVRYPBTDDSEDD-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000771402285 641505919 /nfs/dbraw/zinc/50/59/19/641505919.db2.gz DWVRYPBTDDSEDD-NXEZZACHSA-N 1 1 311.769 2.413 20 5 DEBDMO COCC1=CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC000774643982 641934339 /nfs/dbraw/zinc/93/43/39/641934339.db2.gz CRVYPMINEILPHG-UHFFFAOYSA-N 1 1 316.361 2.489 20 5 DEBDMO COCC1=CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC000774643982 641934341 /nfs/dbraw/zinc/93/43/41/641934341.db2.gz CRVYPMINEILPHG-UHFFFAOYSA-N 1 1 316.361 2.489 20 5 DEBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585328 642188458 /nfs/dbraw/zinc/18/84/58/642188458.db2.gz VKFOBJGCPAQORW-OWCLPIDISA-N 1 1 308.378 2.254 20 5 DEBDMO C[C@@H]1COCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777958008 642324919 /nfs/dbraw/zinc/32/49/19/642324919.db2.gz LEKUXHZVYFCWEC-ZDUSSCGKSA-N 1 1 316.361 2.384 20 5 DEBDMO C[C@@H]1COCC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777958008 642324922 /nfs/dbraw/zinc/32/49/22/642324922.db2.gz LEKUXHZVYFCWEC-ZDUSSCGKSA-N 1 1 316.361 2.384 20 5 DEBDMO Cc1[nH+]ccn1CCCCOC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000778766155 642427560 /nfs/dbraw/zinc/42/75/60/642427560.db2.gz VZRLPQQUZSQSJX-UHFFFAOYSA-N 1 1 318.333 2.440 20 5 DEBDMO COc1cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)ccc1[N+](=O)[O-] ZINC000778942802 642448751 /nfs/dbraw/zinc/44/87/51/642448751.db2.gz LPKSDHZPIJTUPL-CYBMUJFWSA-N 1 1 322.361 2.188 20 5 DEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900857312 642494101 /nfs/dbraw/zinc/49/41/01/642494101.db2.gz HWUJKVFSINAQCJ-ZBFHGGJFSA-N 1 1 317.389 2.270 20 5 DEBDMO Cc1nn(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c(C)c1[N+](=O)[O-] ZINC000782286428 642854943 /nfs/dbraw/zinc/85/49/43/642854943.db2.gz AKXLWZVMEUJOFH-HNNXBMFYSA-N 1 1 315.377 2.325 20 5 DEBDMO Cc1nn(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c(C)c1[N+](=O)[O-] ZINC000782286428 642854951 /nfs/dbraw/zinc/85/49/51/642854951.db2.gz AKXLWZVMEUJOFH-HNNXBMFYSA-N 1 1 315.377 2.325 20 5 DEBDMO COC(=O)c1cccc(OCCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000902441859 643039065 /nfs/dbraw/zinc/03/90/65/643039065.db2.gz UNHBGZDSLOMXCQ-UHFFFAOYSA-N 1 1 319.317 2.127 20 5 DEBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000902639063 643094608 /nfs/dbraw/zinc/09/46/08/643094608.db2.gz QUYLZJXAGWNHQR-LSDHHAIUSA-N 1 1 304.350 2.320 20 5 DEBDMO C[N@H+]1CCCC12CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000784251228 643113635 /nfs/dbraw/zinc/11/36/35/643113635.db2.gz HMXYOLGCXKNBNM-MRXNPFEDSA-N 1 1 319.405 2.188 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903019710 643218675 /nfs/dbraw/zinc/21/86/75/643218675.db2.gz QIVHMLWYMYBIPI-ZDUSSCGKSA-N 1 1 317.324 2.210 20 5 DEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903019710 643218676 /nfs/dbraw/zinc/21/86/76/643218676.db2.gz QIVHMLWYMYBIPI-ZDUSSCGKSA-N 1 1 317.324 2.210 20 5 DEBDMO C[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903198858 643283305 /nfs/dbraw/zinc/28/33/05/643283305.db2.gz QFOXTYKFEOEJDT-NSHDSACASA-N 1 1 315.377 2.489 20 5 DEBDMO CCn1nncc1C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903206005 643288024 /nfs/dbraw/zinc/28/80/24/643288024.db2.gz OCDKJFRJTSVYOP-JTQLQIEISA-N 1 1 305.338 2.066 20 5 DEBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCOC1 ZINC000787335801 643484274 /nfs/dbraw/zinc/48/42/74/643484274.db2.gz UCXSIURFBBXMRM-LBPRGKRZSA-N 1 1 314.769 2.486 20 5 DEBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCOC1 ZINC000787335801 643484277 /nfs/dbraw/zinc/48/42/77/643484277.db2.gz UCXSIURFBBXMRM-LBPRGKRZSA-N 1 1 314.769 2.486 20 5 DEBDMO C[N@H+]1CC[C@@H](Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000903965923 643536641 /nfs/dbraw/zinc/53/66/41/643536641.db2.gz PZBUEIAFWMYAEO-NSHDSACASA-N 1 1 302.334 2.063 20 5 DEBDMO COc1cc(CN2CC[C@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000904411237 643661889 /nfs/dbraw/zinc/66/18/89/643661889.db2.gz KFYTXYHGWZXHRH-VXGBXAGGSA-N 1 1 323.393 2.029 20 5 DEBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(C2CC2)nn1 ZINC000906300423 644201255 /nfs/dbraw/zinc/20/12/55/644201255.db2.gz NGGYTXVUAUTUKC-UHFFFAOYSA-N 1 1 301.350 2.196 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(C2CC2)nn1 ZINC000906300423 644201261 /nfs/dbraw/zinc/20/12/61/644201261.db2.gz NGGYTXVUAUTUKC-UHFFFAOYSA-N 1 1 301.350 2.196 20 5 DEBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000794636957 644449377 /nfs/dbraw/zinc/44/93/77/644449377.db2.gz RKRDVCMKHNIASS-LLVKDONJSA-N 1 1 303.318 2.192 20 5 DEBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000794636957 644449382 /nfs/dbraw/zinc/44/93/82/644449382.db2.gz RKRDVCMKHNIASS-LLVKDONJSA-N 1 1 303.318 2.192 20 5 DEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000795288731 644547254 /nfs/dbraw/zinc/54/72/54/644547254.db2.gz KKXOLKARCJPCFW-RDJZCZTQSA-N 1 1 320.389 2.377 20 5 DEBDMO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796581123 644758152 /nfs/dbraw/zinc/75/81/52/644758152.db2.gz UOWCQKVLLVMSQC-GWCFXTLKSA-N 1 1 314.769 2.220 20 5 DEBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796581123 644758158 /nfs/dbraw/zinc/75/81/58/644758158.db2.gz UOWCQKVLLVMSQC-GWCFXTLKSA-N 1 1 314.769 2.220 20 5 DEBDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000155443865 644872379 /nfs/dbraw/zinc/87/23/79/644872379.db2.gz JBKGFHSQEBIJPO-WCQYABFASA-N 1 1 304.350 2.137 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000801600363 645422096 /nfs/dbraw/zinc/42/20/96/645422096.db2.gz OYXMEPDCVHWIIG-CQSZACIVSA-N 1 1 304.346 2.165 20 5 DEBDMO Cc1nn(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000840117213 645991251 /nfs/dbraw/zinc/99/12/51/645991251.db2.gz SZIMJHNUMKBAFG-GZBFAFLISA-N 1 1 308.382 2.073 20 5 DEBDMO Cc1nn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000840117213 645991252 /nfs/dbraw/zinc/99/12/52/645991252.db2.gz SZIMJHNUMKBAFG-GZBFAFLISA-N 1 1 308.382 2.073 20 5 DEBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000913029223 646242966 /nfs/dbraw/zinc/24/29/66/646242966.db2.gz XOVAJFNYPLPGIN-ZDUSSCGKSA-N 1 1 322.361 2.391 20 5 DEBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913289199 646317146 /nfs/dbraw/zinc/31/71/46/646317146.db2.gz KFLPEVPMVLEUQI-IYBDPMFKSA-N 1 1 321.352 2.148 20 5 DEBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000152033691 647079382 /nfs/dbraw/zinc/07/93/82/647079382.db2.gz GECDYMGJQYDMGX-LSDHHAIUSA-N 1 1 321.425 2.335 20 5 DEBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000816950105 647203482 /nfs/dbraw/zinc/20/34/82/647203482.db2.gz LWZHUEOJOCYLPO-NNRPAZIYSA-N 1 1 315.373 2.161 20 5 DEBDMO Cc1cc(F)cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000817490293 647304145 /nfs/dbraw/zinc/30/41/45/647304145.db2.gz BWBFUVQQSWTZBL-LBPRGKRZSA-N 1 1 309.341 2.209 20 5 DEBDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818971749 647553509 /nfs/dbraw/zinc/55/35/09/647553509.db2.gz AHYJNSPGBDZETL-CPUCHLNUSA-N 1 1 321.421 2.338 20 5 DEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818971749 647553513 /nfs/dbraw/zinc/55/35/13/647553513.db2.gz AHYJNSPGBDZETL-CPUCHLNUSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818984204 647557658 /nfs/dbraw/zinc/55/76/58/647557658.db2.gz ANRBDLOREQZVAU-PBHICJAKSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818984204 647557662 /nfs/dbraw/zinc/55/76/62/647557662.db2.gz ANRBDLOREQZVAU-PBHICJAKSA-N 1 1 321.421 2.338 20 5 DEBDMO CC(C)(CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000819260177 647620014 /nfs/dbraw/zinc/62/00/14/647620014.db2.gz PQRWTBPMDKGDPH-MRXNPFEDSA-N 1 1 321.421 2.340 20 5 DEBDMO C[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000917068945 647963160 /nfs/dbraw/zinc/96/31/60/647963160.db2.gz JBSQKCYVNKECJZ-JTQLQIEISA-N 1 1 305.338 2.417 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000821480154 648072078 /nfs/dbraw/zinc/07/20/78/648072078.db2.gz FKCGOOSJXSTQSH-NEPJUHHUSA-N 1 1 305.378 2.376 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000821480154 648072082 /nfs/dbraw/zinc/07/20/82/648072082.db2.gz FKCGOOSJXSTQSH-NEPJUHHUSA-N 1 1 305.378 2.376 20 5 DEBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000823471369 648428831 /nfs/dbraw/zinc/42/88/31/648428831.db2.gz WAIVZPKRHJTUPS-AWEZNQCLSA-N 1 1 306.366 2.448 20 5 DEBDMO CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000825625150 648790224 /nfs/dbraw/zinc/79/02/24/648790224.db2.gz HBVPOXDTWQLPJQ-CWRNSKLLSA-N 1 1 317.389 2.299 20 5 DEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000827311319 649012435 /nfs/dbraw/zinc/01/24/35/649012435.db2.gz OQVVNZFVDSUJBK-OCCSQVGLSA-N 1 1 303.362 2.069 20 5 DEBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C[N@H+]1C1CC1 ZINC000829863582 649366240 /nfs/dbraw/zinc/36/62/40/649366240.db2.gz PUUGUIMRZPCTIG-ZJUUUORDSA-N 1 1 307.325 2.089 20 5 DEBDMO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000830101643 649394155 /nfs/dbraw/zinc/39/41/55/649394155.db2.gz ZJCVLBOSKHSOCY-NSHDSACASA-N 1 1 323.324 2.008 20 5 DEBDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000830101643 649394156 /nfs/dbraw/zinc/39/41/56/649394156.db2.gz ZJCVLBOSKHSOCY-NSHDSACASA-N 1 1 323.324 2.008 20 5 DEBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000832295745 649693703 /nfs/dbraw/zinc/69/37/03/649693703.db2.gz HBXNEZJLRSDJSJ-LLVKDONJSA-N 1 1 309.341 2.337 20 5 DEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000832348172 649700087 /nfs/dbraw/zinc/70/00/87/649700087.db2.gz HQWVFYUYJXOSHG-HZPDHXFCSA-N 1 1 306.362 2.131 20 5 DEBDMO COC(=O)c1ccc([N+](=O)[O-])c(CO[NH+]=C(N)CC2CC2)c1 ZINC000844764426 651167825 /nfs/dbraw/zinc/16/78/25/651167825.db2.gz MDYORUNULOVZTK-UHFFFAOYSA-N 1 1 307.306 2.180 20 5 DEBDMO C[C@@H]1[C@H](COC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000845813426 651284830 /nfs/dbraw/zinc/28/48/30/651284830.db2.gz CZUNMUQWTMOXIV-OLZOCXBDSA-N 1 1 321.377 2.280 20 5 DEBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000846889467 651359680 /nfs/dbraw/zinc/35/96/80/651359680.db2.gz NUOSLZQBKIPUKO-UHFFFAOYSA-N 1 1 308.338 2.029 20 5 DEBDMO COC[C@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000112961952 651620663 /nfs/dbraw/zinc/62/06/63/651620663.db2.gz XUQHMGQJANLGRG-LBPRGKRZSA-N 1 1 304.350 2.260 20 5 DEBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000855163938 651638787 /nfs/dbraw/zinc/63/87/87/651638787.db2.gz GLYIQZITLYBJDP-NSHDSACASA-N 1 1 309.341 2.337 20 5 DEBDMO CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](CC)C1 ZINC000855491111 651709497 /nfs/dbraw/zinc/70/94/97/651709497.db2.gz NWXOXOSIIFWADJ-LBPRGKRZSA-N 1 1 309.341 2.290 20 5 DEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000850426530 651927132 /nfs/dbraw/zinc/92/71/32/651927132.db2.gz CWMKYOKTWRUUEB-CPCISQLKSA-N 1 1 308.256 2.177 20 5 DEBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1CCO ZINC000852462971 652404920 /nfs/dbraw/zinc/40/49/20/652404920.db2.gz SAQPBDWLIBTAMD-SMDDNHRTSA-N 1 1 323.349 2.486 20 5 DEBDMO C[N@@H+](CC1=CCCOC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853561889 652568213 /nfs/dbraw/zinc/56/82/13/652568213.db2.gz USHJMZIUILSUFE-UHFFFAOYSA-N 1 1 302.334 2.181 20 5 DEBDMO C[N@H+](CC1=CCCOC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853561889 652568216 /nfs/dbraw/zinc/56/82/16/652568216.db2.gz USHJMZIUILSUFE-UHFFFAOYSA-N 1 1 302.334 2.181 20 5 DEBDMO Cc1cc(Cl)c(C(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000854177031 652654027 /nfs/dbraw/zinc/65/40/27/652654027.db2.gz BGKYYZJYYFRETC-UHFFFAOYSA-N 1 1 311.769 2.334 20 5 DEBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000858677352 685579418 /nfs/dbraw/zinc/57/94/18/685579418.db2.gz VLTQMXCDUXFVQE-GFCCVEGCSA-N 1 1 313.357 2.430 20 5 DEBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000928555276 693800913 /nfs/dbraw/zinc/80/09/13/693800913.db2.gz NZOSOGYOEPARTC-SECBINFHSA-N 1 1 317.267 2.048 20 5 DEBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000928555276 693800916 /nfs/dbraw/zinc/80/09/16/693800916.db2.gz NZOSOGYOEPARTC-SECBINFHSA-N 1 1 317.267 2.048 20 5 DEBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000078651034 683965173 /nfs/dbraw/zinc/96/51/73/683965173.db2.gz XBXZIBXUDNNRIC-LLVKDONJSA-N 1 1 323.780 2.462 20 5 DEBDMO O=[N+]([O-])c1cnn(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000084481571 684003357 /nfs/dbraw/zinc/00/33/57/684003357.db2.gz SSYOAKYINKHSIS-OAHLLOKOSA-N 1 1 316.361 2.082 20 5 DEBDMO O=[N+]([O-])c1cnn(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000084481571 684003361 /nfs/dbraw/zinc/00/33/61/684003361.db2.gz SSYOAKYINKHSIS-OAHLLOKOSA-N 1 1 316.361 2.082 20 5 DEBDMO COCC[N@@H+]1[C@H](C)CN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000129950289 684183664 /nfs/dbraw/zinc/18/36/64/684183664.db2.gz WZKISANEYJHTMG-OKILXGFUSA-N 1 1 321.421 2.444 20 5 DEBDMO C[N@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CCCC1 ZINC000194571110 685070162 /nfs/dbraw/zinc/07/01/62/685070162.db2.gz AMLXHKNDPYNMRR-UHFFFAOYSA-N 1 1 303.318 2.023 20 5 DEBDMO C[N@@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CCCC1 ZINC000194571110 685070168 /nfs/dbraw/zinc/07/01/68/685070168.db2.gz AMLXHKNDPYNMRR-UHFFFAOYSA-N 1 1 303.318 2.023 20 5 DEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929462319 693960103 /nfs/dbraw/zinc/96/01/03/693960103.db2.gz IOIYPGUYTTYGDS-OWCLPIDISA-N 1 1 317.389 2.299 20 5 DEBDMO O=C(Cn1cc[nH+]c1C1CC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000863386544 686489427 /nfs/dbraw/zinc/48/94/27/686489427.db2.gz WWOPSLIJQQYQQO-UHFFFAOYSA-N 1 1 304.281 2.447 20 5 DEBDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC[N+](=O)[O-] ZINC000930065476 694081728 /nfs/dbraw/zinc/08/17/28/694081728.db2.gz KCOHXBDTBVUVCF-RHSMWYFYSA-N 1 1 320.437 2.199 20 5 DEBDMO C[C@H]1CCC[N@@H+](CCNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865443969 687214105 /nfs/dbraw/zinc/21/41/05/687214105.db2.gz PRSCSTPHSWDLCS-NSHDSACASA-N 1 1 311.357 2.370 20 5 DEBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000865762279 687324961 /nfs/dbraw/zinc/32/49/61/687324961.db2.gz MWADHXXXFKXPFF-UHFFFAOYSA-N 1 1 320.324 2.484 20 5 DEBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CCC1(C)C ZINC000866114261 687451472 /nfs/dbraw/zinc/45/14/72/687451472.db2.gz KDVRYACUNKAOGV-UHFFFAOYSA-N 1 1 305.338 2.052 20 5 DEBDMO O=[N+]([O-])CC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000930330779 694138485 /nfs/dbraw/zinc/13/84/85/694138485.db2.gz NCENWDQATVFZFT-SNVBAGLBSA-N 1 1 301.140 2.139 20 5 DEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[S@](=O)C(F)(F)F ZINC000930352661 694143949 /nfs/dbraw/zinc/14/39/49/694143949.db2.gz BZKBPDFYGOQGKE-NRFANRHFSA-N 1 1 324.324 2.338 20 5 DEBDMO C[C@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000867951837 687846879 /nfs/dbraw/zinc/84/68/79/687846879.db2.gz NOGZKGXZFRTYRO-LRDDRELGSA-N 1 1 305.378 2.417 20 5 DEBDMO Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000868373445 687994686 /nfs/dbraw/zinc/99/46/86/687994686.db2.gz FUONIUKBLIERDE-JSGCOSHPSA-N 1 1 320.393 2.185 20 5 DEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[S@](=O)C(F)(F)F ZINC000930438839 694162747 /nfs/dbraw/zinc/16/27/47/694162747.db2.gz DDCMIASPBVWHKO-NRFANRHFSA-N 1 1 324.324 2.338 20 5 DEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[S@](=O)C(F)(F)F ZINC000930438839 694162750 /nfs/dbraw/zinc/16/27/50/694162750.db2.gz DDCMIASPBVWHKO-NRFANRHFSA-N 1 1 324.324 2.338 20 5 DEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000868809714 688147121 /nfs/dbraw/zinc/14/71/21/688147121.db2.gz LLIITYBXOXDSFA-ZDUSSCGKSA-N 1 1 323.368 2.218 20 5 DEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000868850001 688159378 /nfs/dbraw/zinc/15/93/78/688159378.db2.gz QBEHWDPCWCBLGL-LBPRGKRZSA-N 1 1 323.368 2.125 20 5 DEBDMO CC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCS1 ZINC000870895161 688680071 /nfs/dbraw/zinc/68/00/71/688680071.db2.gz XMDHLNVZDQVAAO-UKRRQHHQSA-N 1 1 323.418 2.123 20 5 DEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC(Cc3ccco3)C2)c1 ZINC000871985701 688907139 /nfs/dbraw/zinc/90/71/39/688907139.db2.gz ZCUJNNFCURPNSG-INIZCTEOSA-N 1 1 302.330 2.396 20 5 DEBDMO CN(CCCCCC[NH3+])CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000872154884 688939817 /nfs/dbraw/zinc/93/98/17/688939817.db2.gz DFIXJFYBLSLBKE-UHFFFAOYSA-N 1 1 322.409 2.009 20 5 DEBDMO C[C@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000877557825 690151530 /nfs/dbraw/zinc/15/15/30/690151530.db2.gz QKQSMLWCXFQJJK-ZDUSSCGKSA-N 1 1 321.421 2.481 20 5 DEBDMO CC(C)(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035704057 690156310 /nfs/dbraw/zinc/15/63/10/690156310.db2.gz CGPKJRQOTLAPEW-ZIAGYGMSSA-N 1 1 323.437 2.012 20 5 DEBDMO COc1ccc(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877741696 690210888 /nfs/dbraw/zinc/21/08/88/690210888.db2.gz BBLCXMOZUUMVPH-KBPBESRZSA-N 1 1 305.378 2.129 20 5 DEBDMO CO[C@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000879258636 690604627 /nfs/dbraw/zinc/60/46/27/690604627.db2.gz GQSUNTPWBZDKKO-TZMCWYRMSA-N 1 1 314.769 2.220 20 5 DEBDMO CO[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000879258636 690604630 /nfs/dbraw/zinc/60/46/30/690604630.db2.gz GQSUNTPWBZDKKO-TZMCWYRMSA-N 1 1 314.769 2.220 20 5 DEBDMO CO[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000879323717 690620009 /nfs/dbraw/zinc/62/00/09/690620009.db2.gz VMRUBASPXOGBBV-GXTWGEPZSA-N 1 1 321.377 2.341 20 5 DEBDMO CO[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000879323717 690620011 /nfs/dbraw/zinc/62/00/11/690620011.db2.gz VMRUBASPXOGBBV-GXTWGEPZSA-N 1 1 321.377 2.341 20 5 DEBDMO CC(C)(O)[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000879960585 690767301 /nfs/dbraw/zinc/76/73/01/690767301.db2.gz INILSONPIYEFAN-CYBMUJFWSA-N 1 1 308.378 2.457 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880146299 690822916 /nfs/dbraw/zinc/82/29/16/690822916.db2.gz SXFRSKAIPRRCBU-RYUDHWBXSA-N 1 1 321.377 2.015 20 5 DEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880146299 690822918 /nfs/dbraw/zinc/82/29/18/690822918.db2.gz SXFRSKAIPRRCBU-RYUDHWBXSA-N 1 1 321.377 2.015 20 5 DEBDMO O=C(C[N@@H+]1CC[C@@H](CF)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880294932 690861399 /nfs/dbraw/zinc/86/13/99/690861399.db2.gz NTEMGLIIMHJSJX-VIFPVBQESA-N 1 1 315.732 2.478 20 5 DEBDMO O=C(C[N@H+]1CC[C@@H](CF)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880294932 690861401 /nfs/dbraw/zinc/86/14/01/690861401.db2.gz NTEMGLIIMHJSJX-VIFPVBQESA-N 1 1 315.732 2.478 20 5 DEBDMO COC1(OC)CCOC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000931670862 694451692 /nfs/dbraw/zinc/45/16/92/694451692.db2.gz RWXRPNHGJOSAPV-FZMZJTMJSA-N 1 1 310.350 2.023 20 5 DEBDMO O=C1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CN1CC1CC1 ZINC000883403756 691499445 /nfs/dbraw/zinc/49/94/45/691499445.db2.gz CNORUNNMLNXMHI-LBPRGKRZSA-N 1 1 323.780 2.349 20 5 DEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000931719602 694463142 /nfs/dbraw/zinc/46/31/42/694463142.db2.gz DQGDMHZIWQEOQG-WCQYABFASA-N 1 1 315.377 2.140 20 5 DEBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CCC2CCCCCC2)C1 ZINC001042710839 691644314 /nfs/dbraw/zinc/64/43/14/691644314.db2.gz LRHYWFTVKNTVBL-HZPDHXFCSA-N 1 1 323.437 2.155 20 5 DEBDMO C[N@H+]1CCN(Cc2cccnc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000886033849 691988855 /nfs/dbraw/zinc/98/88/55/691988855.db2.gz YXJIIIUREBWARN-UHFFFAOYSA-N 1 1 304.394 2.440 20 5 DEBDMO CN(CC(F)F)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886073409 691998218 /nfs/dbraw/zinc/99/82/18/691998218.db2.gz VIDLMJOHIDYQHL-UHFFFAOYSA-N 1 1 314.336 2.151 20 5 DEBDMO COc1ccc([C@@H](CCO)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886107780 692005183 /nfs/dbraw/zinc/00/51/83/692005183.db2.gz ZVPMMYWRCNXJHO-OAHLLOKOSA-N 1 1 317.345 2.212 20 5 DEBDMO COC(=O)C1C[C@H](C)[NH+](Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886304146 692050500 /nfs/dbraw/zinc/05/05/00/692050500.db2.gz ORCJTVSBZNELSR-QWRGUYRKSA-N 1 1 307.350 2.152 20 5 DEBDMO Cc1noc(C[N@@H+]2CCC[C@H](c3ncccn3)C2)c1[N+](=O)[O-] ZINC000886690275 692162857 /nfs/dbraw/zinc/16/28/57/692162857.db2.gz SQTOIVUBYICPNZ-NSHDSACASA-N 1 1 303.322 2.061 20 5 DEBDMO Cc1noc(C[N@H+]2CCC[C@H](c3ncccn3)C2)c1[N+](=O)[O-] ZINC000886690275 692162861 /nfs/dbraw/zinc/16/28/61/692162861.db2.gz SQTOIVUBYICPNZ-NSHDSACASA-N 1 1 303.322 2.061 20 5 DEBDMO C[C@]1([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)COC(=O)N1 ZINC000932025778 694531282 /nfs/dbraw/zinc/53/12/82/694531282.db2.gz HFQPKOKOZDNJTP-XJKSGUPXSA-N 1 1 319.361 2.305 20 5 DEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000890061821 692848123 /nfs/dbraw/zinc/84/81/23/692848123.db2.gz LKGPOHOEVGSYQK-GFCCVEGCSA-N 1 1 320.393 2.223 20 5 DEBDMO Cn1nccc1[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932267935 694583679 /nfs/dbraw/zinc/58/36/79/694583679.db2.gz VGKGEMLIJTYEJQ-HOTGVXAUSA-N 1 1 316.361 2.199 20 5 DEBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001351013125 1151448313 /nfs/dbraw/zinc/44/83/13/1151448313.db2.gz QRBPHNVALCTJDP-CYBMUJFWSA-N 1 1 306.366 2.380 20 5 DEBDMO CCC[NH+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001443218704 1182884556 /nfs/dbraw/zinc/88/45/56/1182884556.db2.gz RBWPDMPHZWHRNE-UHFFFAOYSA-N 1 1 311.769 2.416 20 5 DEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@H]1C ZINC001444619171 1183486875 /nfs/dbraw/zinc/48/68/75/1183486875.db2.gz UYAXIQHSHYAPCJ-VXGBXAGGSA-N 1 1 320.393 2.122 20 5 DEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001444911334 1183640577 /nfs/dbraw/zinc/64/05/77/1183640577.db2.gz ZUBWQXAEZRXALK-ZDUSSCGKSA-N 1 1 320.393 2.102 20 5 DEBDMO COc1ccc(NC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001347523580 1151074686 /nfs/dbraw/zinc/07/46/86/1151074686.db2.gz XVWHDHXRGIIGFQ-PHIMTYICSA-N 1 1 322.365 2.160 20 5 DEBDMO Cc1cc(NC(=O)NCC[NH+]2CCSCC2)cc([N+](=O)[O-])c1 ZINC001347889424 1151104346 /nfs/dbraw/zinc/10/43/46/1151104346.db2.gz HNAKFISRIMRZRG-UHFFFAOYSA-N 1 1 324.406 2.074 20 5 DEBDMO C[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC001164640638 719177144 /nfs/dbraw/zinc/17/71/44/719177144.db2.gz UWLRYAFDYUJCBU-RQJHMYQMSA-N 1 1 320.180 2.220 20 5 DEBDMO C[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC001164640638 719177146 /nfs/dbraw/zinc/17/71/46/719177146.db2.gz UWLRYAFDYUJCBU-RQJHMYQMSA-N 1 1 320.180 2.220 20 5 DEBDMO