smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C)c(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)CC2)c1 ZINC000001073131 132236416 /nfs/dbraw/zinc/23/64/16/132236416.db2.gz JRSFANMSJSLQKA-UHFFFAOYSA-N 0 0 407.426 3.280 50 5 HGBARN COC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 ZINC000001152192 132239348 /nfs/dbraw/zinc/23/93/48/132239348.db2.gz IUQGXMQYGXRRDW-UHFFFAOYSA-N 0 0 412.373 3.452 50 5 HGBARN O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000002807065 132257980 /nfs/dbraw/zinc/25/79/80/132257980.db2.gz KQQGMHMHUGOCML-UHFFFAOYSA-N 0 0 424.335 3.484 50 5 HGBARN O=c1nc2sccn2c2cc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])cc12 ZINC000004709612 132284666 /nfs/dbraw/zinc/28/46/66/132284666.db2.gz GJWTZQVFVWVYLP-UHFFFAOYSA-N 0 0 407.455 3.144 50 5 HGBARN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)NCc3ccco3)cc2[N+](=O)[O-])C1 ZINC000004879030 132291267 /nfs/dbraw/zinc/29/12/67/132291267.db2.gz GYYDJXDSKIAUJA-GJZGRUSLSA-N 0 0 415.446 3.143 50 5 HGBARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004903226 132292643 /nfs/dbraw/zinc/29/26/43/132292643.db2.gz OGKSQQCKLSQDHV-UHFFFAOYSA-N 0 0 415.446 3.481 50 5 HGBARN O=C(c1ccccc1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000009720924 132342914 /nfs/dbraw/zinc/34/29/14/132342914.db2.gz CUHYRRNYNONGGH-UHFFFAOYSA-N 0 0 424.335 3.484 50 5 HGBARN CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000009867618 132343803 /nfs/dbraw/zinc/34/38/03/132343803.db2.gz NQXPBIQYOKIADY-GFCCVEGCSA-N 0 0 409.430 3.404 50 5 HGBARN CN(C(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000012511902 132361194 /nfs/dbraw/zinc/36/11/94/132361194.db2.gz PHJNBJFSKOWDDY-UHFFFAOYSA-N 0 0 411.487 3.233 50 5 HGBARN CN(CCOc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000012521962 132361690 /nfs/dbraw/zinc/36/16/90/132361690.db2.gz SNHPOWBPSYAZQM-UHFFFAOYSA-N 0 0 419.865 3.236 50 5 HGBARN COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000012871400 132368094 /nfs/dbraw/zinc/36/80/94/132368094.db2.gz XZNGFFGFJILKKX-GOSISDBHSA-N 0 0 411.370 3.041 50 5 HGBARN Cc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccc(C)cc1 ZINC000024770649 132484635 /nfs/dbraw/zinc/48/46/35/132484635.db2.gz LRKDLMVMESGWKX-UHFFFAOYSA-N 0 0 405.458 3.360 50 5 HGBARN CCn1cc(CN(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000020602582 523369519 /nfs/dbraw/zinc/36/95/19/523369519.db2.gz FIGOQRHCIVRBRX-UHFFFAOYSA-N 0 0 400.460 3.202 50 5 HGBARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(CCNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000019873589 524117302 /nfs/dbraw/zinc/11/73/02/524117302.db2.gz GSCRIHJWYKLSBQ-OAHLLOKOSA-N 0 0 404.492 3.208 50 5 HGBARN CCn1c2ccccc2c2nnc(SCC(=O)Nc3ncc([N+](=O)[O-])s3)nc21 ZINC000006135671 557689020 /nfs/dbraw/zinc/68/90/20/557689020.db2.gz ZVAISZJVTRWCTB-UHFFFAOYSA-N 0 0 415.460 3.095 50 5 HGBARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000032999534 558825506 /nfs/dbraw/zinc/82/55/06/558825506.db2.gz PFFNWSFRXFGKRD-AWNIVKPZSA-N 0 0 410.430 3.054 50 5 HGBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2cccc(O)c2)c1 ZINC000004595489 558832573 /nfs/dbraw/zinc/83/25/73/558832573.db2.gz ASIZTXXHSTTYAE-UHFFFAOYSA-N 0 0 413.411 3.354 50 5 HGBARN Cc1ccc(C(O)=C2[C@@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013582229 558845064 /nfs/dbraw/zinc/84/50/64/558845064.db2.gz TUHGGHNGNPMCAZ-DAYGRLMNSA-N 0 0 423.347 3.007 50 5 HGBARN O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004677270 558889341 /nfs/dbraw/zinc/88/93/41/558889341.db2.gz FBIXWOGNWFZOKV-UHFFFAOYSA-N 0 0 406.847 3.475 50 5 HGBARN CCOC(=O)c1c2c(sc1NC(=O)CCCn1cc([N+](=O)[O-])cn1)CCCC2 ZINC000004686842 558895599 /nfs/dbraw/zinc/89/55/99/558895599.db2.gz COLDTGNJXQIXQX-UHFFFAOYSA-N 0 0 406.464 3.327 50 5 HGBARN CC(C)c1ccc(NC(=O)c2cc3nc(-c4nn(C)cc4[N+](=O)[O-])ccn3n2)cc1 ZINC000013961195 559013045 /nfs/dbraw/zinc/01/30/45/559013045.db2.gz UJDMZUWHODTKBA-UHFFFAOYSA-N 0 0 405.418 3.414 50 5 HGBARN CCOc1cc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])cc(OCC)c1OCC ZINC000011330448 559053277 /nfs/dbraw/zinc/05/32/77/559053277.db2.gz DMFVYCSZBRFCOT-UHFFFAOYSA-N 0 0 406.391 3.007 50 5 HGBARN C[C@H]1CCc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C(N)=O)c2C1 ZINC000011617388 559115639 /nfs/dbraw/zinc/11/56/39/559115639.db2.gz LUSGODXDWJKIDP-QMMMGPOBSA-N 0 0 404.404 3.041 50 5 HGBARN C[C@@H]1CCc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C(N)=O)c2C1 ZINC000011617387 559115682 /nfs/dbraw/zinc/11/56/82/559115682.db2.gz LUSGODXDWJKIDP-MRVPVSSYSA-N 0 0 404.404 3.041 50 5 HGBARN CC1CCN(C(=O)COC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000004839901 559167152 /nfs/dbraw/zinc/16/71/52/559167152.db2.gz UUBSLQLWAGFBAX-UHFFFAOYSA-N 0 0 403.479 3.391 50 5 HGBARN C[C@@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000014575162 559169509 /nfs/dbraw/zinc/16/95/09/559169509.db2.gz UVDJHAQWNYELME-CYBMUJFWSA-N 0 0 404.417 3.116 50 5 HGBARN CCOc1ccc(C(=O)OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OCC ZINC000004846282 559186696 /nfs/dbraw/zinc/18/66/96/559186696.db2.gz HMUNBZLXMBPPBT-UHFFFAOYSA-N 0 0 418.402 3.196 50 5 HGBARN O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000004899459 559198097 /nfs/dbraw/zinc/19/80/97/559198097.db2.gz CJERUMAUMMIPRF-FQEVSTJZSA-N 0 0 405.410 3.280 50 5 HGBARN O=[N+]([O-])[C@@]1(Br)[C@@H]2CC[C@H]3[C@H]2[C@H]2[C@@H]1CC[C@@H]2[C@@]3(Br)[N+](=O)[O-] ZINC000257355421 559212945 /nfs/dbraw/zinc/21/29/45/559212945.db2.gz APDJUJGOFIVMHZ-ROXKYUQISA-N 0 0 410.062 3.034 50 5 HGBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000004986499 559223361 /nfs/dbraw/zinc/22/33/61/559223361.db2.gz CZJPNYQWHMICQN-QGZVFWFLSA-N 0 0 408.863 3.078 50 5 HGBARN COc1ccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000004985240 559224318 /nfs/dbraw/zinc/22/43/18/559224318.db2.gz FYPXACAERKXZHE-UHFFFAOYSA-N 0 0 413.459 3.282 50 5 HGBARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H](C)SC2=N1 ZINC000005067159 559240097 /nfs/dbraw/zinc/24/00/97/559240097.db2.gz DTBUJXURVXEJKG-MLGOLLRUSA-N 0 0 403.460 3.443 50 5 HGBARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1 ZINC000005149066 559253161 /nfs/dbraw/zinc/25/31/61/559253161.db2.gz AWNCKJYGWHRAPA-DNVCBOLYSA-N 0 0 406.394 3.425 50 5 HGBARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1 ZINC000005149070 559253166 /nfs/dbraw/zinc/25/31/66/559253166.db2.gz AWNCKJYGWHRAPA-BEFAXECRSA-N 0 0 406.394 3.425 50 5 HGBARN CC(C)Oc1ccc([C@@H]2CC(=O)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000100773275 559265266 /nfs/dbraw/zinc/26/52/66/559265266.db2.gz MWQHYFBKDKJTSZ-HNNXBMFYSA-N 0 0 414.374 3.160 50 5 HGBARN CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000012007991 559271088 /nfs/dbraw/zinc/27/10/88/559271088.db2.gz MVMTWMURBYJVHR-UHFFFAOYSA-N 0 0 424.373 3.093 50 5 HGBARN CSc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1[N+](=O)[O-] ZINC000024301491 559286480 /nfs/dbraw/zinc/28/64/80/559286480.db2.gz HBJBRMIWOBCEEN-UHFFFAOYSA-N 0 0 413.499 3.210 50 5 HGBARN COc1ccc(C)c2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc21 ZINC000005182631 559289923 /nfs/dbraw/zinc/28/99/23/559289923.db2.gz OPPSUUFXXRGYDF-UHFFFAOYSA-N 0 0 412.471 3.484 50 5 HGBARN Cc1c(C(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cccc1[N+](=O)[O-] ZINC000005259366 560552398 /nfs/dbraw/zinc/55/23/98/560552398.db2.gz BLTMEBYKBYWIEK-UHFFFAOYSA-N 0 0 419.441 3.449 50 5 HGBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270765 560560864 /nfs/dbraw/zinc/56/08/64/560560864.db2.gz NBNDCJAADZNEBL-UHFFFAOYSA-N 0 0 412.333 3.104 50 5 HGBARN COc1cc(NC(=O)COC(=O)CSc2ccccc2F)c(C)cc1[N+](=O)[O-] ZINC000005419242 560584753 /nfs/dbraw/zinc/58/47/53/560584753.db2.gz JNJHWELHNKPDIB-UHFFFAOYSA-N 0 0 408.407 3.325 50 5 HGBARN CCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccccc2)c1=N ZINC000101116375 560786900 /nfs/dbraw/zinc/78/69/00/560786900.db2.gz OEHOBSFVOCYHDI-UHFFFAOYSA-N 0 0 415.497 3.015 50 5 aggregator HGBARN N=c1c(-c2ccc([N+](=O)[O-])cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1 ZINC000102230830 560808764 /nfs/dbraw/zinc/80/87/64/560808764.db2.gz SABCWVOUAIOIRJ-UHFFFAOYSA-N 0 0 413.393 3.345 50 5 HGBARN CCOC(=O)c1nc(CN2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cs1 ZINC000048262025 568433689 /nfs/dbraw/zinc/43/36/89/568433689.db2.gz QUAGEQKQEGPFJA-UHFFFAOYSA-N 0 0 410.883 3.204 50 5 HGBARN CCOC(=O)c1ccc(OC[C@@H](O)Cn2ccnc2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000048299695 568437337 /nfs/dbraw/zinc/43/73/37/568437337.db2.gz UIFBNUIYRUUXBG-SFHVURJKSA-N 0 0 411.414 3.075 50 5 HGBARN COc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000000705266 568463315 /nfs/dbraw/zinc/46/33/15/568463315.db2.gz JSIFDQCKPFEOAF-KRWDZBQOSA-N 0 0 410.473 3.048 50 5 HGBARN COC(=O)c1nn(-c2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000020137901 568589664 /nfs/dbraw/zinc/58/96/64/568589664.db2.gz OADUWJRMPRYANA-UHFFFAOYSA-N 0 0 423.307 3.052 50 5 HGBARN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000095466665 568624379 /nfs/dbraw/zinc/62/43/79/568624379.db2.gz JAKMAHCHTKSGBP-NSHDSACASA-N 0 0 405.252 3.138 50 5 HGBARN C[C@@]12NC(=S)N[C@@H](c3cc([N+](=O)[O-])ccc3O1)[C@@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000020641338 568638671 /nfs/dbraw/zinc/63/86/71/568638671.db2.gz SPDNQJKWBRBGCH-RVKKMQEKSA-N 0 0 418.862 3.131 50 5 HGBARN COc1ccc2c(CCNC(=O)[C@H]3CCCN(c4ccc([N+](=O)[O-])cn4)C3)c[nH]c2c1 ZINC000020648642 568639145 /nfs/dbraw/zinc/63/91/45/568639145.db2.gz HYBNHXWJRRKDIW-INIZCTEOSA-N 0 0 423.473 3.055 50 5 HGBARN COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4ccc([N+](=O)[O-])cn4)C3)c2c1 ZINC000020648310 568639322 /nfs/dbraw/zinc/63/93/22/568639322.db2.gz JIFOBROUSVQOFY-INIZCTEOSA-N 0 0 423.473 3.055 50 5 HGBARN CCN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000020989041 568655502 /nfs/dbraw/zinc/65/55/02/568655502.db2.gz YRWCTCABOILYEZ-UHFFFAOYSA-N 0 0 411.458 3.008 50 5 HGBARN CSCC[C@H](NC(=O)Cn1ccc2c1cccc2[N+](=O)[O-])c1nnc2ccccn21 ZINC000096118567 568698304 /nfs/dbraw/zinc/69/83/04/568698304.db2.gz FHBQCDXCWJNMGI-HNNXBMFYSA-N 0 0 424.486 3.203 50 5 HGBARN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000000850447 568711405 /nfs/dbraw/zinc/71/14/05/568711405.db2.gz SQJBQIGITOJZGA-UHFFFAOYSA-N 0 0 407.304 3.238 50 5 HGBARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000000944352 568752700 /nfs/dbraw/zinc/75/27/00/568752700.db2.gz DIWNUQMHWZCVJK-GOSISDBHSA-N 0 0 406.402 3.123 50 5 HGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000001053914 568764329 /nfs/dbraw/zinc/76/43/29/568764329.db2.gz HHJFOETXLQBGRY-KPKJPENVSA-N 0 0 415.471 3.421 50 5 HGBARN CCOC(=O)C1C(CNc2cccc([N+](=O)[O-])c2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000001061580 568765801 /nfs/dbraw/zinc/76/58/01/568765801.db2.gz DLNLQHLUAWUZKO-HXUWFJFHSA-N 0 0 424.457 3.495 50 5 HGBARN Cc1c(C(=O)N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000097115129 568768399 /nfs/dbraw/zinc/76/83/99/568768399.db2.gz VOPYEQINRMIPES-UHFFFAOYSA-N 0 0 424.417 3.040 50 5 HGBARN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000001145516 568772576 /nfs/dbraw/zinc/77/25/76/568772576.db2.gz YDKJMIFBCHPHHK-DHDCSXOGSA-N 0 0 402.384 3.454 50 5 HGBARN CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000001149438 568772734 /nfs/dbraw/zinc/77/27/34/568772734.db2.gz ITKQSNOIUNAMKU-UHFFFAOYSA-N 0 0 417.365 3.018 50 5 HGBARN Cc1ccc(C2=NN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000001151735 568774075 /nfs/dbraw/zinc/77/40/75/568774075.db2.gz KIXMAOKFFVRPHQ-SFHVURJKSA-N 0 0 407.348 3.333 50 5 HGBARN Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002663993 568799903 /nfs/dbraw/zinc/79/99/03/568799903.db2.gz WAXUOHYRCLTPND-UHFFFAOYSA-N 0 0 412.377 3.332 50 5 HGBARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002750683 568806388 /nfs/dbraw/zinc/80/63/88/568806388.db2.gz UQNHDXUOFMJEMV-UHFFFAOYSA-N 0 0 411.197 3.058 50 5 HGBARN COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O ZINC000002813172 568812190 /nfs/dbraw/zinc/81/21/90/568812190.db2.gz QSGJUNCVBOTHID-OVCLIPMQSA-N 0 0 418.383 3.073 50 5 HGBARN CCc1nnc2sc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nn12 ZINC000002865858 568813540 /nfs/dbraw/zinc/81/35/40/568813540.db2.gz MBIJWUXZXYCIEQ-UHFFFAOYSA-N 0 0 424.442 3.341 50 5 HGBARN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000002885106 568814402 /nfs/dbraw/zinc/81/44/02/568814402.db2.gz ODGSIKSADAOYBG-HNNXBMFYSA-N 0 0 405.476 3.313 50 5 HGBARN CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000001172060 568818804 /nfs/dbraw/zinc/81/88/04/568818804.db2.gz LUKNWHLSEVCRCR-UHFFFAOYSA-N 0 0 403.460 3.268 50 5 HGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)NC(=O)c1c(Cl)cccc1N2 ZINC000034811973 568828310 /nfs/dbraw/zinc/82/83/10/568828310.db2.gz NXUODFRIVRZCHN-UHFFFAOYSA-N 0 0 400.822 3.036 50 5 HGBARN CCOc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000002984929 568833124 /nfs/dbraw/zinc/83/31/24/568833124.db2.gz GCSRUPUOORDKJR-UHFFFAOYSA-N 0 0 414.414 3.447 50 5 HGBARN COc1ccccc1NN1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O ZINC000003044960 568847622 /nfs/dbraw/zinc/84/76/22/568847622.db2.gz IPNNWKVRJGDQJL-UHFFFAOYSA-N 0 0 408.326 3.288 50 5 HGBARN Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000029965256 568853792 /nfs/dbraw/zinc/85/37/92/568853792.db2.gz LOCYVPUOCGFXPK-MRXNPFEDSA-N 0 0 424.841 3.189 50 5 HGBARN C[C@@H](Nc1cccc(NS(C)(=O)=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000030026729 568856417 /nfs/dbraw/zinc/85/64/17/568856417.db2.gz QIHIKSUEIIPGBX-SNVBAGLBSA-N 0 0 412.855 3.059 50 5 HGBARN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1I ZINC000003138911 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O=C1CCC(=O)N1c1ccc(N2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000004684413 132282829 /nfs/dbraw/zinc/28/28/29/132282829.db2.gz UNZPEWDNPUUXOK-UHFFFAOYSA-N 0 0 414.849 3.228 50 5 HGBARN O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004718574 132285757 /nfs/dbraw/zinc/28/57/57/132285757.db2.gz VGVOXJOWVLZWPN-UHFFFAOYSA-N 0 0 406.782 3.245 50 5 HGBARN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)NCc3ccco3)cc2[N+](=O)[O-])C1 ZINC000004879040 132291196 /nfs/dbraw/zinc/29/11/96/132291196.db2.gz GYYDJXDSKIAUJA-HUUCEWRRSA-N 0 0 415.446 3.143 50 5 HGBARN Cc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1[N+](=O)[O-] ZINC000004983797 132297819 /nfs/dbraw/zinc/29/78/19/132297819.db2.gz XIMUJPZVOZELGN-UHFFFAOYSA-N 0 0 409.895 3.376 50 5 HGBARN C[C@H]1Cc2ccccc2N1CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000007360063 132324060 /nfs/dbraw/zinc/32/40/60/132324060.db2.gz UMTACBVLSFXPEY-HNNXBMFYSA-N 0 0 414.893 3.348 50 5 HGBARN COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Br ZINC000008916895 132334161 /nfs/dbraw/zinc/33/41/61/132334161.db2.gz HNZGYXKOXUKNJG-UHFFFAOYSA-N 0 0 420.263 3.328 50 5 HGBARN O=C(COc1cccc(Br)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000009653610 132342124 /nfs/dbraw/zinc/34/21/24/132342124.db2.gz MORAQBBFBIUYNH-UHFFFAOYSA-N 0 0 420.263 3.085 50 5 HGBARN CCCNC(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 ZINC000032579198 519883610 /nfs/dbraw/zinc/88/36/10/519883610.db2.gz CHTNHWGXASRORI-UHFFFAOYSA-N 0 0 410.883 3.340 50 5 HGBARN CCN(Cc1ccccc1[N+](=O)[O-])CN1C(=O)C(=O)c2c1cccc2Br ZINC000032926885 521387074 /nfs/dbraw/zinc/38/70/74/521387074.db2.gz HWJNZZSBALDKFU-UHFFFAOYSA-N 0 0 418.247 3.366 50 5 HGBARN CCn1nccc1CN(CCc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000020602503 523725654 /nfs/dbraw/zinc/72/56/54/523725654.db2.gz BADQXHLFTYGHJG-UHFFFAOYSA-N 0 0 414.487 3.245 50 5 HGBARN COc1ccc(C)cc1CN(C)C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000032744706 523808726 /nfs/dbraw/zinc/80/87/26/523808726.db2.gz 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C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000010810131 558457103 /nfs/dbraw/zinc/45/71/03/558457103.db2.gz ZYASREIDPDODMD-GFCCVEGCSA-N 0 0 402.838 3.448 50 5 HGBARN O=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1ccc([N+](=O)[O-])cc1 ZINC000004375611 558476233 /nfs/dbraw/zinc/47/62/33/558476233.db2.gz HZRFOCSNPASZOG-UHFFFAOYSA-N 0 0 411.418 3.478 50 5 HGBARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004496258 558614873 /nfs/dbraw/zinc/61/48/73/558614873.db2.gz IGELMYNGFCIZGE-UHFFFAOYSA-N 0 0 409.420 3.146 50 5 HGBARN Cc1sc2nc3c4ccccc4c(NCCCN4CCOCC4)nn3c(=O)c2c1C ZINC000025330216 558638712 /nfs/dbraw/zinc/63/87/12/558638712.db2.gz QCUMHWCLZUGVBJ-UHFFFAOYSA-N 0 0 423.542 3.208 50 5 HGBARN O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004518943 558648222 /nfs/dbraw/zinc/64/82/22/558648222.db2.gz QQQGNWIKDZWAHP-SFHVURJKSA-N 0 0 400.412 3.133 50 5 HGBARN COc1cc(CC2=NCCc3cc(OC)c(OC)c(OC)c32)c([N+](=O)[O-])cc1OC ZINC000004565989 558728960 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Cc1ccc2nc3c(cc(C(=O)NC4CCCC4)c(=N)n3C3CCCC3)c(=O)n2c1 ZINC000100560195 559227417 /nfs/dbraw/zinc/22/74/17/559227417.db2.gz DWDPGNXYRREXDD-UHFFFAOYSA-N 0 0 405.502 3.225 50 5 HGBARN CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccc(Cl)cc2)c1=N ZINC000100573197 559230734 /nfs/dbraw/zinc/23/07/34/559230734.db2.gz JRLXWNNKHJNZNT-UHFFFAOYSA-N 0 0 408.845 3.007 50 5 HGBARN Cc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@H](C(=O)N4CCCC4)[C@H]3C2)cc1 ZINC000248119242 559263376 /nfs/dbraw/zinc/26/33/76/559263376.db2.gz REPHKUQORLBOFO-JTHBVZDNSA-N 0 0 420.513 3.393 50 5 HGBARN CC[C@@H](C)n1c(=N)c(C(=O)NCc2ccccc2)cc2c1nc1ccc(C)cn1c2=O ZINC000100811501 559268901 /nfs/dbraw/zinc/26/89/01/559268901.db2.gz MXXWQEZYLQOASZ-MRXNPFEDSA-N 0 0 415.497 3.338 50 5 HGBARN O=C(Cc1cccs1)Nn1c(=O)c2ccccc2nc1-c1cccc([N+](=O)[O-])c1 ZINC000005198539 559292265 /nfs/dbraw/zinc/29/22/65/559292265.db2.gz MPQYZCQQAFJXMO-UHFFFAOYSA-N 0 0 406.423 3.346 50 5 HGBARN O=C1C[C@@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000005205443 560539222 /nfs/dbraw/zinc/53/92/22/560539222.db2.gz MDOWGVBFZHFAHS-SFHVURJKSA-N 0 0 403.753 3.214 50 5 HGBARN Cc1ccc(N2CCN(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000005570890 560623490 /nfs/dbraw/zinc/62/34/90/560623490.db2.gz UZZJXAYXMAFTEA-UHFFFAOYSA-N 0 0 423.517 3.361 50 5 HGBARN O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100901389 560762373 /nfs/dbraw/zinc/76/23/73/560762373.db2.gz HYFHXRTXODHYDI-HIFRSBDPSA-N 0 0 406.181 3.194 50 5 HGBARN CCOC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccc([N+](=O)[O-])o1 ZINC000100910544 560762541 /nfs/dbraw/zinc/76/25/41/560762541.db2.gz MPMUGGJONPMLLF-HNENSFHCSA-N 0 0 403.416 3.125 50 5 HGBARN CN(Cc1ccc(Br)s1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000024396778 560772264 /nfs/dbraw/zinc/77/22/64/560772264.db2.gz KRFBMKPRTMCGRV-UHFFFAOYSA-N 0 0 422.264 3.272 50 5 HGBARN CCOc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000101094887 560785549 /nfs/dbraw/zinc/78/55/49/560785549.db2.gz IKHRXHDMABGSIK-AATRIKPKSA-N 0 0 403.303 3.368 50 5 HGBARN COc1ccc(Cn2c(CNC(=O)c3ccc([N+](=O)[O-])cc3)nc3cccnc32)cc1 ZINC000047146000 560882394 /nfs/dbraw/zinc/88/23/94/560882394.db2.gz HDSJQVKVYLSCTR-UHFFFAOYSA-N 0 0 417.425 3.326 50 5 HGBARN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000047252523 560885364 /nfs/dbraw/zinc/88/53/64/560885364.db2.gz SZMOFLFVYDROIW-CYBMUJFWSA-N 0 0 414.853 3.301 50 5 HGBARN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccsc2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000048234478 568432559 /nfs/dbraw/zinc/43/25/59/568432559.db2.gz DBQPIKZZUOVESZ-MRXNPFEDSA-N 0 0 423.516 3.019 50 5 HGBARN Cc1cccc2nc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cn21 ZINC000024903160 568481445 /nfs/dbraw/zinc/48/14/45/568481445.db2.gz DWWAIWDPAPMQNF-LLVKDONJSA-N 0 0 402.794 3.388 50 5 HGBARN Cc1c(-c2nsc(NC(=O)c3ccccc3)n2)nnn1-c1ccccc1[N+](=O)[O-] ZINC000020132916 568589863 /nfs/dbraw/zinc/58/98/63/568589863.db2.gz MJRGATKJJNUSKQ-UHFFFAOYSA-N 0 0 407.415 3.255 50 5 HGBARN O=C(NC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1)Nc1ccc(Cl)cc1 ZINC000020421213 568606497 /nfs/dbraw/zinc/60/64/97/568606497.db2.gz IJIONVXIKPCIOI-UHFFFAOYSA-N 0 0 403.826 3.208 50 5 HGBARN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccnc1-n1cncn1 ZINC000095449063 568612921 /nfs/dbraw/zinc/61/29/21/568612921.db2.gz JYTHJKMMSOTGGY-UHFFFAOYSA-N 0 0 412.475 3.249 50 5 HGBARN CCn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000020893214 568648362 /nfs/dbraw/zinc/64/83/62/568648362.db2.gz PTOCXXLEBNEJHW-UHFFFAOYSA-N 0 0 409.446 3.049 50 5 HGBARN Cc1csc2nc(CSc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc(=O)n12 ZINC000020897174 568649340 /nfs/dbraw/zinc/64/93/40/568649340.db2.gz ZASXYXQBPQMZEP-UHFFFAOYSA-N 0 0 401.429 3.315 50 5 HGBARN CC(=O)Oc1ccccc1C1=NN(C(C)=O)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)O1 ZINC000021091382 568663994 /nfs/dbraw/zinc/66/39/94/568663994.db2.gz SXUPICKBDFMOGB-GOSISDBHSA-N 0 0 403.778 3.413 50 5 HGBARN CC(=O)Oc1ccccc1C1=NN(C(C)=O)[C@H](c2cc([N+](=O)[O-])ccc2Cl)O1 ZINC000021091387 568664131 /nfs/dbraw/zinc/66/41/31/568664131.db2.gz SXUPICKBDFMOGB-SFHVURJKSA-N 0 0 403.778 3.413 50 5 HGBARN Cc1ccc(C)c(OC[C@@H](O)Cn2cnc3cc(Cl)c([N+](=O)[O-])cc3c2=O)c1C ZINC000024991273 568711248 /nfs/dbraw/zinc/71/12/48/568711248.db2.gz IGTDGOPOETYFHU-AWEZNQCLSA-N 0 0 417.849 3.323 50 5 HGBARN CCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000000855165 568712922 /nfs/dbraw/zinc/71/29/22/568712922.db2.gz HLTBQYVTVIEEAF-SFHVURJKSA-N 0 0 424.500 3.438 50 5 HGBARN CCNC(=O)N1CCN(c2nc(C3CC3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096278544 568716731 /nfs/dbraw/zinc/71/67/31/568716731.db2.gz BPBUUOJWUGLIHX-UHFFFAOYSA-N 0 0 424.505 3.013 50 5 HGBARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000025053607 568739596 /nfs/dbraw/zinc/73/95/96/568739596.db2.gz UQSMQBPIBYSLRN-CYBMUJFWSA-N 0 0 409.489 3.004 50 5 HGBARN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000018836876 568742327 /nfs/dbraw/zinc/74/23/27/568742327.db2.gz DDYFBCVNWYQNQK-UHFFFAOYSA-N 0 0 423.516 3.402 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025151329 568753824 /nfs/dbraw/zinc/75/38/24/568753824.db2.gz KOKMVUVDHWHGTD-UHFFFAOYSA-N 0 0 412.442 3.470 50 5 HGBARN Cc1cc(C(=O)NCC(=O)OCc2nc3ccccc3n2C(F)F)ccc1[N+](=O)[O-] ZINC000025376601 568764198 /nfs/dbraw/zinc/76/41/98/568764198.db2.gz PJXMZRZRGCGAGT-UHFFFAOYSA-N 0 0 418.356 3.121 50 5 HGBARN O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000001049531 568764849 /nfs/dbraw/zinc/76/48/49/568764849.db2.gz LBHUPSSHOCUKJM-LQDNNDEMSA-N 0 0 410.429 3.467 50 5 HGBARN CC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc([N+](=O)[O-])c(Br)c2C)cc1 ZINC000001069424 568766263 /nfs/dbraw/zinc/76/62/63/568766263.db2.gz RRFVBFAOEFXWHG-VIFPVBQESA-N 0 0 410.228 3.020 50 5 HGBARN COc1ccc(-c2nc(CCNC(=O)COc3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000027994996 568775779 /nfs/dbraw/zinc/77/57/79/568775779.db2.gz MNOQWNLHVCJHEF-UHFFFAOYSA-N 0 0 413.455 3.465 50 5 HGBARN COc1ccc2cc(CN(C)C(=O)Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)ccc2c1 ZINC000028005842 568776725 /nfs/dbraw/zinc/77/67/25/568776725.db2.gz WJTCPSZUDPYJAF-UHFFFAOYSA-N 0 0 421.409 3.323 50 5 HGBARN O=C(Nc1ccccc1Cl)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000028192943 568782053 /nfs/dbraw/zinc/78/20/53/568782053.db2.gz VSJKOGQIBPNIMJ-KRWDZBQOSA-N 0 0 423.878 3.430 50 5 HGBARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002767835 568807391 /nfs/dbraw/zinc/80/73/91/568807391.db2.gz SWKAUPMFQROGNM-UHFFFAOYSA-N 0 0 405.432 3.096 50 5 HGBARN Cn1ncc2c3nc(-c4cccc(COc5ccc([N+](=O)[O-])cc5)c4)nn3cnc21 ZINC000002802182 568811187 /nfs/dbraw/zinc/81/11/87/568811187.db2.gz WAWFXZKMJKENDT-UHFFFAOYSA-N 0 0 401.386 3.165 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000002871860 568813744 /nfs/dbraw/zinc/81/37/44/568813744.db2.gz VBSNQWHCRREONV-CQSZACIVSA-N 0 0 421.475 3.013 50 5 HGBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000029285204 568823902 /nfs/dbraw/zinc/82/39/02/568823902.db2.gz WKWYDEAARHANOU-UHFFFAOYSA-N 0 0 409.364 3.451 50 5 HGBARN Cc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)NCc2cccnc2)cc1 ZINC000005935697 568830085 /nfs/dbraw/zinc/83/00/85/568830085.db2.gz ZXNASIQZEHRMGP-BKUYFWCQSA-N 0 0 416.437 3.386 50 5 HGBARN CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000002978962 568831767 /nfs/dbraw/zinc/83/17/67/568831767.db2.gz ICISZYINDAMKIN-UHFFFAOYSA-N 0 0 402.432 3.079 50 5 HGBARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C=O)cc2OC)c([N+](=O)[O-])c1 ZINC000003886637 568836778 /nfs/dbraw/zinc/83/67/78/568836778.db2.gz WHTZJSQDGLZZJQ-UHFFFAOYSA-N 0 0 408.432 3.239 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCC3 ZINC000003007416 568837459 /nfs/dbraw/zinc/83/74/59/568837459.db2.gz AFOYFFRAPWPPFD-UHFFFAOYSA-N 0 0 414.443 3.272 50 5 HGBARN O=C(NC1CCN(C(=O)C2CC2)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000012537501 568845952 /nfs/dbraw/zinc/84/59/52/568845952.db2.gz OHRKJJQGDCNIAJ-UHFFFAOYSA-N 0 0 408.458 3.469 50 5 HGBARN CC1(C)OC(=O)C(Cc2ccc([N+](=O)[O-])cc2)(Cc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000003096119 568854663 /nfs/dbraw/zinc/85/46/63/568854663.db2.gz VSODMOTYJZXJOB-UHFFFAOYSA-N 0 0 414.370 3.111 50 5 HGBARN O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003151013 568858409 /nfs/dbraw/zinc/85/84/09/568858409.db2.gz QKQUQUDAUMZFGC-UHFFFAOYSA-N 0 0 413.127 3.360 50 5 HGBARN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)ccc1N1CCCC1=O ZINC000012561078 568858479 /nfs/dbraw/zinc/85/84/79/568858479.db2.gz VCDSFTYWSVILLG-UHFFFAOYSA-N 0 0 419.459 3.148 50 5 HGBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003269920 568870385 /nfs/dbraw/zinc/87/03/85/568870385.db2.gz UEHYGQFDAPZEIC-UHFFFAOYSA-N 0 0 403.700 3.458 50 5 HGBARN COCC[C@@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000058179237 568896097 /nfs/dbraw/zinc/89/60/97/568896097.db2.gz CNQZAYCETXEXOS-GFCCVEGCSA-N 0 0 403.401 3.371 50 5 HGBARN O=C(Cn1cnc2ccccc2c1=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000003428085 568901018 /nfs/dbraw/zinc/90/10/18/568901018.db2.gz ZRHYQFKKUZKJBX-UHFFFAOYSA-N 0 0 412.401 3.400 50 5 HGBARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000003449076 568903636 /nfs/dbraw/zinc/90/36/36/568903636.db2.gz GAZYNVFNNAJLII-KPKJPENVSA-N 0 0 410.430 3.054 50 5 HGBARN COc1ccc(OC)c(CCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC000012731660 568922797 /nfs/dbraw/zinc/92/27/97/568922797.db2.gz AHHZBSURWQUWGQ-UHFFFAOYSA-N 0 0 402.403 3.345 50 5 HGBARN CC(C)NS(=O)(=O)c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000012758268 568943386 /nfs/dbraw/zinc/94/33/86/568943386.db2.gz FAOSWFISSXCXSR-UHFFFAOYSA-N 0 0 419.488 3.218 50 5 HGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000004119315 568943922 /nfs/dbraw/zinc/94/39/22/568943922.db2.gz WFWDDUXXHPQROS-LLVKDONJSA-N 0 0 404.220 3.349 50 5 HGBARN CSc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000015638862 568957215 /nfs/dbraw/zinc/95/72/15/568957215.db2.gz YIYFMLQOFJPDAX-AWEZNQCLSA-N 0 0 415.471 3.478 50 5 HGBARN CCN(CC)S(=O)(=O)c1ccc(OCc2cn3cccc(C)c3n2)c([N+](=O)[O-])c1 ZINC000007987027 568965110 /nfs/dbraw/zinc/96/51/10/568965110.db2.gz DWEUNWCNTBZPKT-UHFFFAOYSA-N 0 0 418.475 3.160 50 5 HGBARN CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000012820131 568992021 /nfs/dbraw/zinc/99/20/21/568992021.db2.gz QOAUJRGHPNHXMH-UHFFFAOYSA-N 0 0 420.487 3.500 50 5 HGBARN Cc1nn(-c2nc3ccccc3n2C)c2c1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000015868253 569017042 /nfs/dbraw/zinc/01/70/42/569017042.db2.gz GQWZHVGAYWKNLS-HNNXBMFYSA-N 0 0 402.414 3.450 50 5 HGBARN O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000015881989 569018923 /nfs/dbraw/zinc/01/89/23/569018923.db2.gz LBTMGCZHPWMVMK-SFHVURJKSA-N 0 0 418.402 3.272 50 5 HGBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1Cl ZINC000015940538 569024370 /nfs/dbraw/zinc/02/43/70/569024370.db2.gz RYUQNHYZSLFAHJ-UHFFFAOYSA-N 0 0 404.806 3.125 50 5 HGBARN Cc1cc(C)c2c(=O)[nH]c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc2n1 ZINC000016046123 569028119 /nfs/dbraw/zinc/02/81/19/569028119.db2.gz HXCCOOXGNCBCOR-UHFFFAOYSA-N 0 0 400.416 3.002 50 5 HGBARN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000063827056 569028501 /nfs/dbraw/zinc/02/85/01/569028501.db2.gz FRYJGVNQDXFXQW-GOSISDBHSA-N 0 0 403.847 3.493 50 5 HGBARN O=C(COC(=O)c1ccc(Br)o1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006234954 569034218 /nfs/dbraw/zinc/03/42/18/569034218.db2.gz JPANCJCZHGIAOC-UHFFFAOYSA-N 0 0 403.572 3.399 50 5 HGBARN CCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O ZINC000006310969 569040141 /nfs/dbraw/zinc/04/01/41/569040141.db2.gz GBYIFYCKCWCRLP-KNQAVFIVSA-N 0 0 418.453 3.171 50 5 HGBARN CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)Nc1cc(Cl)ccc1C ZINC000006510811 569062257 /nfs/dbraw/zinc/06/22/57/569062257.db2.gz LOODGYXLWOTHJU-UHFFFAOYSA-N 0 0 404.854 3.456 50 5 HGBARN Cc1cc(C)c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1C ZINC000006902974 569178028 /nfs/dbraw/zinc/17/80/28/569178028.db2.gz RGJWTAZGFGWCGV-UHFFFAOYSA-N 0 0 412.442 3.396 50 5 HGBARN COc1cc(OC)cc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)c2nccn2C)c1 ZINC000036435329 569182401 /nfs/dbraw/zinc/18/24/01/569182401.db2.gz LJMDXICFOPNYQJ-GOSISDBHSA-N 0 0 411.418 3.257 50 5 HGBARN CCCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2I)cn1 ZINC000170595081 569241462 /nfs/dbraw/zinc/24/14/62/569241462.db2.gz SINCYSJXAVISHE-UHFFFAOYSA-N 0 0 400.176 3.058 50 5 HGBARN CCc1nnc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)s1 ZINC000002072179 569263144 /nfs/dbraw/zinc/26/31/44/569263144.db2.gz AGQZMZHNKGYUDD-UHFFFAOYSA-N 0 0 419.492 3.018 50 5 HGBARN O=C(Nc1nc2n(n1)[C@H](c1ccccc1)CC(=O)N2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016956077 569268347 /nfs/dbraw/zinc/26/83/47/569268347.db2.gz IOOYEZAMYXWJLI-ZDUSSCGKSA-N 0 0 412.793 3.024 50 5 HGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000170636551 569279252 /nfs/dbraw/zinc/27/92/52/569279252.db2.gz URFSBCITBVAQPE-LEWJYISDSA-N 0 0 423.469 3.047 50 5 HGBARN Cc1nc([C@H](C)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])no1 ZINC000170682464 569298456 /nfs/dbraw/zinc/29/84/56/569298456.db2.gz MBFXSBDUGSVPIQ-LBPRGKRZSA-N 0 0 409.468 3.024 50 5 HGBARN O=C(CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc2cccnc21 ZINC000002245084 569323496 /nfs/dbraw/zinc/32/34/96/569323496.db2.gz PMHHKICSNAYXGR-UHFFFAOYSA-N 0 0 407.382 3.288 50 5 HGBARN Cc1c(C(=O)CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2n1C ZINC000002274077 569327617 /nfs/dbraw/zinc/32/76/17/569327617.db2.gz MMFIDRFUNBWYBU-UHFFFAOYSA-N 0 0 406.486 3.395 50 5 HGBARN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)s1 ZINC000253418459 569367556 /nfs/dbraw/zinc/36/75/56/569367556.db2.gz QVLOCKYDOSHGSJ-KFWWJZLASA-N 0 0 408.501 3.069 50 5 HGBARN Cc1nn(CCC(=O)Nc2nccn2Cc2ccccc2Cl)c(C)c1[N+](=O)[O-] ZINC000225390960 569393423 /nfs/dbraw/zinc/39/34/23/569393423.db2.gz PFOJRNADUHPNBT-UHFFFAOYSA-N 0 0 402.842 3.335 50 5 HGBARN COc1ccc(-c2nsc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1OC ZINC000027793623 569395261 /nfs/dbraw/zinc/39/52/61/569395261.db2.gz RGACIRCCQJSYRL-UHFFFAOYSA-N 0 0 416.415 3.148 50 5 HGBARN CC(C)[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000007942973 569402203 /nfs/dbraw/zinc/40/22/03/569402203.db2.gz ISKUPWZUDWVCRT-LJQANCHMSA-N 0 0 409.446 3.105 50 5 HGBARN O=[N+]([O-])c1cc(CSc2nnnn2-c2ccc(O)cc2)ccc1Br ZINC000225506391 569403591 /nfs/dbraw/zinc/40/35/91/569403591.db2.gz CEZKPJWQOQUEMN-UHFFFAOYSA-N 0 0 408.237 3.331 50 5 HGBARN O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000019298451 569415454 /nfs/dbraw/zinc/41/54/54/569415454.db2.gz WSVGZPWPRFAKSU-LJQANCHMSA-N 0 0 412.398 3.234 50 5 HGBARN CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000019468416 569421478 /nfs/dbraw/zinc/42/14/78/569421478.db2.gz MQHBOKRQZNOCIQ-QFIPXVFZSA-N 0 0 423.425 3.026 50 5 HGBARN O=[N+]([O-])c1ccc(OC/C=C2\Oc3ccc([N+](=O)[O-])cc3[C@@H]2N2CCOCC2)cc1 ZINC000019770669 569429664 /nfs/dbraw/zinc/42/96/64/569429664.db2.gz OUFLODBNKFDTBL-DNATVEMMSA-N 0 0 413.386 3.232 50 5 HGBARN CS(=O)(=O)N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000008493837 571061356 /nfs/dbraw/zinc/06/13/56/571061356.db2.gz WTEYUJBNTLWPLH-UHFFFAOYSA-N 0 0 411.867 3.433 50 5 HGBARN COc1ccc(S(=O)(=O)Nc2ccc(Sc3nccn3C)cc2)cc1[N+](=O)[O-] ZINC000040024978 571139982 /nfs/dbraw/zinc/13/99/82/571139982.db2.gz ACYBPHRGCJRECH-UHFFFAOYSA-N 0 0 420.472 3.289 50 5 HGBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000040116909 571174549 /nfs/dbraw/zinc/17/45/49/571174549.db2.gz FXQIZFCVHHKSBK-SANMLTNESA-N 0 0 413.238 3.305 50 5 HGBARN O=C(OCc1ccccc1[N+](=O)[O-])[C@@H]1CN(C(=O)c2ccco2)c2ccccc2O1 ZINC000040151879 571199770 /nfs/dbraw/zinc/19/97/70/571199770.db2.gz IHFGYFVBSZGAKX-IBGZPJMESA-N 0 0 408.366 3.339 50 5 HGBARN COc1cccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000009453871 571260112 /nfs/dbraw/zinc/26/01/12/571260112.db2.gz OOTIJCRZRINZTE-UHFFFAOYSA-N 0 0 408.252 3.436 50 5 HGBARN CCOC(=O)N1CCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000009466092 571261036 /nfs/dbraw/zinc/26/10/36/571261036.db2.gz NCWDAJGHSRMSMO-UHFFFAOYSA-N 0 0 421.397 3.006 50 5 HGBARN COc1ccc(CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1OC ZINC000009509447 571264026 /nfs/dbraw/zinc/26/40/26/571264026.db2.gz KBKUNFFCOZNOPG-UHFFFAOYSA-N 0 0 424.837 3.311 50 5 HGBARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000009708139 571280912 /nfs/dbraw/zinc/28/09/12/571280912.db2.gz MXOMDWXMJZDRHU-IBGZPJMESA-N 0 0 420.425 3.047 50 5 HGBARN CCC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000009713556 571281415 /nfs/dbraw/zinc/28/14/15/571281415.db2.gz RJMQEQSALHEPDU-UHFFFAOYSA-N 0 0 420.443 3.001 50 5 HGBARN C[C@@H](NC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O)c1ccccc1 ZINC000009763417 571284720 /nfs/dbraw/zinc/28/47/20/571284720.db2.gz IOUGIFUUGWXXSF-FOIQADDNSA-N 0 0 405.410 3.058 50 5 HGBARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1=O ZINC000010461985 571303532 /nfs/dbraw/zinc/30/35/32/571303532.db2.gz IOCGVCHRIFAPPR-MRXNPFEDSA-N 0 0 424.457 3.434 50 5 HGBARN O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 ZINC000004150491 132272233 /nfs/dbraw/zinc/27/22/33/132272233.db2.gz JDZKJURLXCCVEI-UHFFFAOYSA-N 0 0 407.430 3.157 50 5 HGBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000004676942 132282363 /nfs/dbraw/zinc/28/23/63/132282363.db2.gz NSNBFXPYRBQTOP-UHFFFAOYSA-N 0 0 415.393 3.125 50 5 HGBARN Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]2C)cc1 ZINC000004687540 132283280 /nfs/dbraw/zinc/28/32/80/132283280.db2.gz UVKJFDJDBXKUIG-AWEZNQCLSA-N 0 0 409.895 3.456 50 5 HGBARN O=C(c1ccc(Br)cc1)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000004818922 132289333 /nfs/dbraw/zinc/28/93/33/132289333.db2.gz FESBEVKBQDROGD-UHFFFAOYSA-N 0 0 408.227 3.459 50 5 HGBARN Cc1cc(C)c(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000005693254 132307475 /nfs/dbraw/zinc/30/74/75/132307475.db2.gz JTOLPNYOQFPMLP-UHFFFAOYSA-N 0 0 412.442 3.396 50 5 HGBARN O=C(c1cc(Br)ccc1O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005740814 132307873 /nfs/dbraw/zinc/30/78/73/132307873.db2.gz QUPYGHMPEXSBTM-UHFFFAOYSA-N 0 0 406.236 3.025 50 5 HGBARN Cc1cc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)cc1Cl ZINC000006399742 132310787 /nfs/dbraw/zinc/31/07/87/132310787.db2.gz LLANGSNXSCMLJG-UHFFFAOYSA-N 0 0 409.895 3.376 50 5 HGBARN Cc1ccc(Cl)cc1N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000007983423 132326546 /nfs/dbraw/zinc/32/65/46/132326546.db2.gz NXAWYEFITMAMLV-UHFFFAOYSA-N 0 0 409.895 3.287 50 5 HGBARN COc1ccc(-c2noc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1OC ZINC000008586922 132330511 /nfs/dbraw/zinc/33/05/11/132330511.db2.gz 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COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000032666001 522875351 /nfs/dbraw/zinc/87/53/51/522875351.db2.gz ROEZZCNNHUOKCK-KRWDZBQOSA-N 0 0 417.418 3.492 50 5 HGBARN COC(=O)C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000044471027 523338684 /nfs/dbraw/zinc/33/86/84/523338684.db2.gz DFIWORCYURTZDI-LBPRGKRZSA-N 0 0 413.249 3.453 50 5 HGBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000032818693 526811654 /nfs/dbraw/zinc/81/16/54/526811654.db2.gz FXRAELPJHYJNAS-UHFFFAOYSA-N 0 0 407.348 3.212 50 5 HGBARN O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000030260276 527201484 /nfs/dbraw/zinc/20/14/84/527201484.db2.gz IAMVMMQPNJKGSJ-UHFFFAOYSA-N 0 0 406.801 3.377 50 5 HGBARN CCOC(=O)N1CCN(c2c3ccccc3n(-c3ccccc3)c(=O)c2[N+](=O)[O-])CC1 ZINC000009328453 535778690 /nfs/dbraw/zinc/77/86/90/535778690.db2.gz CIKPARLITFCKDK-UHFFFAOYSA-N 0 0 422.441 3.177 50 5 HGBARN COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005183777 537013841 /nfs/dbraw/zinc/01/38/41/537013841.db2.gz MRLQJCYFPWQTJI-UHFFFAOYSA-N 0 0 404.430 3.355 50 5 HGBARN CCOC(=O)N1CCC(NC(=O)Cn2c3ccccc3c(=O)c3cc(C)ccc32)CC1 ZINC000006720349 557717125 /nfs/dbraw/zinc/71/71/25/557717125.db2.gz QMZCAVAMFBAKBO-UHFFFAOYSA-N 0 0 421.497 3.200 50 5 HGBARN Cc1nn(Cc2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)c(C)c1[N+](=O)[O-] ZINC000013961066 558608963 /nfs/dbraw/zinc/60/89/63/558608963.db2.gz XBVITKOPMLSHFE-UHFFFAOYSA-N 0 0 408.447 3.274 50 5 HGBARN O=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000004496339 558614993 /nfs/dbraw/zinc/61/49/93/558614993.db2.gz WZPHYQCSHRDPBJ-UHFFFAOYSA-N 0 0 403.441 3.131 50 5 HGBARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)c1ccccc1[N+](=O)[O-] ZINC000004510487 558632793 /nfs/dbraw/zinc/63/27/93/558632793.db2.gz UIJZMXPXWNLKMC-MUUNZHRXSA-N 0 0 416.846 3.449 50 5 HGBARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])N3)C1 ZINC000004524984 558654323 /nfs/dbraw/zinc/65/43/23/558654323.db2.gz RPOHLHCXNCVAIB-OAHLLOKOSA-N 0 0 402.432 3.025 50 5 HGBARN CCOc1ccc(C(=O)NCCNc2c(Cl)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004559330 558727122 /nfs/dbraw/zinc/72/71/22/558727122.db2.gz FXCHKTNEAJXDFQ-UHFFFAOYSA-N 0 0 408.798 3.397 50 5 HGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCN1CCN(c2ncccn2)CC1 ZINC000022955750 558750574 /nfs/dbraw/zinc/75/05/74/558750574.db2.gz NQTSJGMLYXUSRF-UHFFFAOYSA-N 0 0 410.400 3.028 50 5 HGBARN COc1ccc(C)c2sc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)nc21 ZINC000004583543 558773888 /nfs/dbraw/zinc/77/38/88/558773888.db2.gz WGWFHQFEZJJGTQ-UHFFFAOYSA-N 0 0 412.471 3.484 50 5 HGBARN COc1ccccc1-n1ccc2nc3ccn(Cc4ccccn4)c(=O)c3cc2c1=O ZINC000036359914 558799455 /nfs/dbraw/zinc/79/94/55/558799455.db2.gz FKRCBNHWFVAXBO-UHFFFAOYSA-N 0 0 410.433 3.153 50 5 HGBARN CCOC(=O)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(C)cc1 ZINC000004593581 558831478 /nfs/dbraw/zinc/83/14/78/558831478.db2.gz XQLXHKALSNQUIX-KRWDZBQOSA-N 0 0 406.460 3.184 50 5 HGBARN O=C(Oc1cccc(C(=S)N2CCOCC2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000004599891 558835304 /nfs/dbraw/zinc/83/53/04/558835304.db2.gz ZBEDXMXBAVSCNU-UHFFFAOYSA-N 0 0 406.847 3.475 50 5 HGBARN CCOC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536554692 558850858 /nfs/dbraw/zinc/85/08/58/558850858.db2.gz UIJLGEPOKJAPKX-GFCCVEGCSA-N 0 0 412.851 3.395 50 5 HGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1C(=S)NC(=S)C1=Cc1ccc2c(c1)OCO2 ZINC000109916617 558858739 /nfs/dbraw/zinc/85/87/39/558858739.db2.gz BEGJYVVEHSYMOB-QPEQYQDCSA-N 0 0 413.436 3.022 50 5 HGBARN COc1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000004663253 558874463 /nfs/dbraw/zinc/87/44/63/558874463.db2.gz KNJZJSXTSFPCLP-UHFFFAOYSA-N 0 0 410.249 3.493 50 5 HGBARN CCCCN(C)C(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O ZINC000004679919 558890851 /nfs/dbraw/zinc/89/08/51/558890851.db2.gz XIHZFITUHPNOAX-KRWDZBQOSA-N 0 0 405.838 3.092 50 5 HGBARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000004681133 558893502 /nfs/dbraw/zinc/89/35/02/558893502.db2.gz HBQHOPAFPCWZLX-IBGZPJMESA-N 0 0 417.487 3.032 50 5 HGBARN COc1ccc(C(=O)N(C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000004680802 558894093 /nfs/dbraw/zinc/89/40/93/558894093.db2.gz MSOYAUHCMPGQQW-QGZVFWFLSA-N 0 0 416.474 3.413 50 5 HGBARN COc1ccc(CCNc2ccc(N3C(=O)C[C@@H](C)C3=O)cc2[N+](=O)[O-])cc1OC ZINC000004684346 558895063 /nfs/dbraw/zinc/89/50/63/558895063.db2.gz FJLJPDSIZUQWKY-CYBMUJFWSA-N 0 0 413.430 3.166 50 5 HGBARN COc1ccc(N2C(=O)[C@H]3CS[C@@H](c4cccc([N+](=O)[O-])c4)N3C2=S)cc1 ZINC000004686632 558895865 /nfs/dbraw/zinc/89/58/65/558895865.db2.gz RGCYUBISDRSNTL-WBVHZDCISA-N 0 0 401.469 3.351 50 5 HGBARN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCOCC2)cc1 ZINC000023105886 559009809 /nfs/dbraw/zinc/00/98/09/559009809.db2.gz VJIASJXSVHWMQY-LJQANCHMSA-N 0 0 403.866 3.360 50 5 HGBARN COC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(C(=O)OC)c1 ZINC000004771220 559056636 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JZMDUQAFBZNYBI-UHFFFAOYSA-N 0 0 411.443 3.152 50 5 HGBARN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000004855155 559192494 /nfs/dbraw/zinc/19/24/94/559192494.db2.gz SAINDXDOCGTTEJ-KRWDZBQOSA-N 0 0 410.473 3.048 50 5 HGBARN O=C(CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F ZINC000004978457 559220351 /nfs/dbraw/zinc/22/03/51/559220351.db2.gz OXLTWOJACBYUII-UHFFFAOYSA-N 0 0 400.410 3.411 50 5 HGBARN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000004997959 559225660 /nfs/dbraw/zinc/22/56/60/559225660.db2.gz TTYDJFHMQAGEAX-UHFFFAOYSA-N 0 0 408.867 3.211 50 5 HGBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000005025284 559230140 /nfs/dbraw/zinc/23/01/40/559230140.db2.gz KEMRYBWNOFQJCV-KRWDZBQOSA-N 0 0 408.863 3.078 50 5 HGBARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H](C)SC2=N1 ZINC000005067182 559240073 /nfs/dbraw/zinc/24/00/73/559240073.db2.gz DTBUJXURVXEJKG-LRDDRELGSA-N 0 0 403.460 3.443 50 5 HGBARN O=C(Nn1c(=O)c2ccccc2nc1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000005198347 559292124 /nfs/dbraw/zinc/29/21/24/559292124.db2.gz MCRTZVVGNNYPOE-UHFFFAOYSA-N 0 0 404.357 3.495 50 5 HGBARN COCCN(Cc1ccc(F)cc1Cl)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000079111642 560541270 /nfs/dbraw/zinc/54/12/70/560541270.db2.gz GLKUHWMNXQEMPY-UHFFFAOYSA-N 0 0 406.801 3.048 50 5 HGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270767 560560837 /nfs/dbraw/zinc/56/08/37/560560837.db2.gz PQBOHBGIUBYWTM-UHFFFAOYSA-N 0 0 408.370 3.274 50 5 HGBARN COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1ccc([N+](=O)[O-])cc1)CCS3 ZINC000005451912 560589239 /nfs/dbraw/zinc/58/92/39/560589239.db2.gz PULKHFNOUOHHKB-UHFFFAOYSA-N 0 0 408.439 3.422 50 5 HGBARN CCOc1ccc(NC(=O)c2nn(-c3ccc(CC)cc3)ccc2=O)c([N+](=O)[O-])c1 ZINC000005452283 560589473 /nfs/dbraw/zinc/58/94/73/560589473.db2.gz HHZWDMNWLNZXBR-UHFFFAOYSA-N 0 0 408.414 3.354 50 5 HGBARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1cc([N+](=O)[O-])ccc1OC ZINC000100837236 560759455 /nfs/dbraw/zinc/75/94/55/560759455.db2.gz JWFIHTIDURKPGM-SFHVURJKSA-N 0 0 413.455 3.097 50 5 HGBARN Cc1ccc(CNC(=O)c2cc3c(nc4c(C)cccn4c3=O)n(C(C)C)c2=N)cc1 ZINC000101158869 560787124 /nfs/dbraw/zinc/78/71/24/560787124.db2.gz GFWAFKLFSLKSLQ-UHFFFAOYSA-N 0 0 415.497 3.256 50 5 HGBARN CC(C)n1c(=N)c(C(=O)NCc2ccccc2Cl)cc2c1nc1ccccn1c2=O ZINC000101174927 560787986 /nfs/dbraw/zinc/78/79/86/560787986.db2.gz VPJBMWFMFOVBHE-UHFFFAOYSA-N 0 0 421.888 3.293 50 5 HGBARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000102168578 560808776 /nfs/dbraw/zinc/80/87/76/560808776.db2.gz QSEONKXXOFBSKR-HLLBOEOZSA-N 0 0 403.479 3.293 50 5 HGBARN COc1cccc(OC)c1OC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000048274167 568434139 /nfs/dbraw/zinc/43/41/39/568434139.db2.gz DFOSYUYDBYODDA-UHFFFAOYSA-N 0 0 412.446 3.463 50 5 HGBARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1)CCCCC2 ZINC000000647849 568456880 /nfs/dbraw/zinc/45/68/80/568456880.db2.gz HHULJJQVWFJLMA-NSHDSACASA-N 0 0 406.464 3.498 50 5 HGBARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(O)cc1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000000658166 568457702 /nfs/dbraw/zinc/45/77/02/568457702.db2.gz PBPQYRUFENEUCY-ISQHLFTMSA-N 0 0 412.401 3.177 50 5 HGBARN COc1ccc(N2C(=O)C(=Cc3cc(OC)c(OC)cc3[N+](=O)[O-])NC2=S)cc1 ZINC000000685214 568461373 /nfs/dbraw/zinc/46/13/73/568461373.db2.gz GFPYURWUHJGFBO-ZSOIEALJSA-N 0 0 415.427 3.294 50 5 HGBARN Cc1ccc(N(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)c2ccco2)cc1 ZINC000000710967 568464683 /nfs/dbraw/zinc/46/46/83/568464683.db2.gz KHQJCBALGKKZBY-UHFFFAOYSA-N 0 0 405.366 3.397 50 5 HGBARN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000000819725 568490238 /nfs/dbraw/zinc/49/02/38/568490238.db2.gz CSYIHAJAMFENCL-ZDUSSCGKSA-N 0 0 419.231 3.454 50 5 HGBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000020606124 568636137 /nfs/dbraw/zinc/63/61/37/568636137.db2.gz APYCJZULHJNKAO-JTQLQIEISA-N 0 0 421.456 3.014 50 5 HGBARN O=C(NCCN1CCOCC1)c1ccc(Sc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000020664074 568639588 /nfs/dbraw/zinc/63/95/88/568639588.db2.gz FVBLQOSHEXOHAO-UHFFFAOYSA-N 0 0 421.906 3.461 50 5 HGBARN COc1cc(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4)nn32)cc(OC)c1OC ZINC000021260798 568685759 /nfs/dbraw/zinc/68/57/59/568685759.db2.gz IXGAGLXUQBXWHA-UHFFFAOYSA-N 0 0 413.415 3.454 50 5 HGBARN O=C(COc1cccc([N+](=O)[O-])c1)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000021315139 568687193 /nfs/dbraw/zinc/68/71/93/568687193.db2.gz IHSBJLFRNAQMTB-HNNXBMFYSA-N 0 0 409.320 3.280 50 5 HGBARN CC[C@@]1(C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1(C(=O)OC)C(=O)OC ZINC000000878826 568734443 /nfs/dbraw/zinc/73/44/43/568734443.db2.gz IZPUYYLMWMIFCM-UTKZUKDTSA-N 0 0 411.410 3.304 50 5 HGBARN CC(C)NS(=O)(=O)c1ccc(Sc2nnc(C3CC3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000025062589 568741515 /nfs/dbraw/zinc/74/15/15/568741515.db2.gz VPYLIPDLQAZCEQ-UHFFFAOYSA-N 0 0 423.520 3.237 50 5 HGBARN O=C1[C@H]2[C@H](C(=O)N1Cc1ccccc1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000001049530 568764794 /nfs/dbraw/zinc/76/47/94/568764794.db2.gz LBHUPSSHOCUKJM-YCIYHOANSA-N 0 0 410.429 3.467 50 5 HGBARN COc1ccc(NC(=O)c2ccco2)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000001109181 568768766 /nfs/dbraw/zinc/76/87/66/568768766.db2.gz AUTIDDRMNKVXRJ-UHFFFAOYSA-N 0 0 411.370 3.466 50 5 HGBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1Br ZINC000052537604 568769744 /nfs/dbraw/zinc/76/97/44/568769744.db2.gz ODKWPKQRTXSSIY-UHFFFAOYSA-N 0 0 419.279 3.118 50 5 HGBARN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000001145584 568772492 /nfs/dbraw/zinc/77/24/92/568772492.db2.gz SFWYHCDRBSFQIJ-DHDCSXOGSA-N 0 0 402.384 3.454 50 5 HGBARN COc1ccc([C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000027946821 568773569 /nfs/dbraw/zinc/77/35/69/568773569.db2.gz ACFZLZYNAOJVSV-LJQANCHMSA-N 0 0 419.503 3.027 50 5 HGBARN CC(C)COc1ccc(-c2nc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc1 ZINC000001161276 568775155 /nfs/dbraw/zinc/77/51/55/568775155.db2.gz YQKPFKRRBIUPTD-WQRHYEAKSA-N 0 0 422.466 3.309 50 5 HGBARN Cc1nn(C)c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c1[N+](=O)[O-] ZINC000002781525 568808346 /nfs/dbraw/zinc/80/83/46/568808346.db2.gz KUHWPLMOJSTEGD-SNVBAGLBSA-N 0 0 419.507 3.200 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc(OC)c(OC)c2)CCOCC1 ZINC000002841722 568812930 /nfs/dbraw/zinc/81/29/30/568812930.db2.gz RBPZRRUNXSJKQJ-UHFFFAOYSA-N 0 0 416.430 3.308 50 5 HGBARN CS(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000002856287 568813243 /nfs/dbraw/zinc/81/32/43/568813243.db2.gz UUEWQWBRMPWYCP-UHFFFAOYSA-N 0 0 417.365 3.018 50 5 HGBARN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccco1)OCc1ccccc1 ZINC000002864647 568813513 /nfs/dbraw/zinc/81/35/13/568813513.db2.gz ZXFOFXCUKUCKPN-FQEVSTJZSA-N 0 0 423.425 3.342 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000002888501 568814388 /nfs/dbraw/zinc/81/43/88/568814388.db2.gz VRUDKWKAWNJVQI-CQSZACIVSA-N 0 0 421.475 3.013 50 5 HGBARN COc1ccc2cccc3c2c1C(=O)N(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C3=O ZINC000002900443 568815268 /nfs/dbraw/zinc/81/52/68/568815268.db2.gz DFUCACAIWGAELV-UHFFFAOYSA-N 0 0 409.310 3.255 50 5 HGBARN COCCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000056852030 568819182 /nfs/dbraw/zinc/81/91/82/568819182.db2.gz RKOPYSMRUDYBLK-INIZCTEOSA-N 0 0 408.252 3.273 50 5 HGBARN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1-n1cnnn1 ZINC000029106518 568819538 /nfs/dbraw/zinc/81/95/38/568819538.db2.gz UBLWGSSCKZYGQN-UHFFFAOYSA-N 0 0 410.437 3.078 50 5 HGBARN COC(=O)c1c2c(sc1NC(=O)Cn1cc([N+](=O)[O-])cn1)C[C@H](C(C)(C)C)CC2 ZINC000001178716 568819805 /nfs/dbraw/zinc/81/98/05/568819805.db2.gz ODVHPLMHGKDEOC-LLVKDONJSA-N 0 0 420.491 3.429 50 5 HGBARN O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001196961 568822742 /nfs/dbraw/zinc/82/27/42/568822742.db2.gz ASTZDZDEGYVUNU-UHFFFAOYSA-N 0 0 411.439 3.326 50 5 HGBARN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000001195713 568823001 /nfs/dbraw/zinc/82/30/01/568823001.db2.gz PBOMFAMBMHTMKV-KRWDZBQOSA-N 0 0 410.473 3.048 50 5 HGBARN COc1cccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@](O)(C(F)(F)F)C2)c1 ZINC000001214356 568824726 /nfs/dbraw/zinc/82/47/26/568824726.db2.gz WZJXFVAECMCFGP-QGZVFWFLSA-N 0 0 409.320 3.105 50 5 HGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Nc1ccc2c(c1)OCCO2 ZINC000005829200 568824738 /nfs/dbraw/zinc/82/47/38/568824738.db2.gz BXTYWTDHVPXRJP-UHFFFAOYSA-N 0 0 419.459 3.284 50 5 HGBARN CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000005838976 568825283 /nfs/dbraw/zinc/82/52/83/568825283.db2.gz FLLZELDTRFDHGV-GFCCVEGCSA-N 0 0 418.402 3.195 50 5 HGBARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000001221530 568838842 /nfs/dbraw/zinc/83/88/42/568838842.db2.gz DUDZXIAVYLXCJM-UHFFFAOYSA-N 0 0 406.427 3.455 50 5 HGBARN CCOC(=O)CSc1ccc(C(=O)NCc2ccccc2OC)cc1[N+](=O)[O-] ZINC000003020327 568840205 /nfs/dbraw/zinc/84/02/05/568840205.db2.gz NKZLXUMLZAUQAS-UHFFFAOYSA-N 0 0 404.444 3.189 50 5 HGBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1)Nc1ccccc1F ZINC000057563238 568853922 /nfs/dbraw/zinc/85/39/22/568853922.db2.gz KRBSVPPKRIJAIA-UHFFFAOYSA-N 0 0 409.421 3.043 50 5 HGBARN COc1ccc(S(=O)(=O)NCCCNc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000015276442 568866283 /nfs/dbraw/zinc/86/62/83/568866283.db2.gz AXBCEPVAQBGMQW-UHFFFAOYSA-N 0 0 417.846 3.176 50 5 HGBARN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccncc1 ZINC000012595396 568868965 /nfs/dbraw/zinc/86/89/65/568868965.db2.gz ISPYBEFVBIDCDL-HNNXBMFYSA-N 0 0 408.867 3.133 50 5 HGBARN O=C(CNCc1ccccn1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F ZINC000058022613 568878141 /nfs/dbraw/zinc/87/81/41/568878141.db2.gz RGBPYIGERAPYNP-UHFFFAOYSA-N 0 0 423.404 3.110 50 5 HGBARN Cc1cccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000004076433 568882007 /nfs/dbraw/zinc/88/20/07/568882007.db2.gz DEMKHTLVIODHQQ-UHFFFAOYSA-N 0 0 403.441 3.445 50 5 HGBARN O=C(COc1ccccc1[N+](=O)[O-])OCC(=O)c1ccc(Br)s1 ZINC000003337966 568883171 /nfs/dbraw/zinc/88/31/71/568883171.db2.gz PNPUJRRILCHMOT-UHFFFAOYSA-N 0 0 400.206 3.224 50 5 HGBARN O=C(COC(=O)c1c(F)cccc1F)Nc1ccc([N+](=O)[O-])cc1Br ZINC000015379183 568884428 /nfs/dbraw/zinc/88/44/28/568884428.db2.gz USHCTUUZESOYTN-UHFFFAOYSA-N 0 0 415.146 3.431 50 5 HGBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(OC(F)F)cc2)NC(=O)N1 ZINC000012650375 568906456 /nfs/dbraw/zinc/90/64/56/568906456.db2.gz KSANZOYFWUDMJR-MRXNPFEDSA-N 0 0 418.356 3.463 50 5 HGBARN Cc1c(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000003492896 568909516 /nfs/dbraw/zinc/90/95/16/568909516.db2.gz DRXKABHOPLGREG-UHFFFAOYSA-N 0 0 404.839 3.263 50 5 HGBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)NCCc3c(C)[nH]c4ccccc43)c(=O)oc21 ZINC000001424211 568938861 /nfs/dbraw/zinc/93/88/61/568938861.db2.gz IDUWYTFISIHDER-UHFFFAOYSA-N 0 0 421.409 3.472 50 5 HGBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Cn2cncn2)cc1 ZINC000012758204 568943452 /nfs/dbraw/zinc/94/34/52/568943452.db2.gz YDMABRRZCKSOKI-UHFFFAOYSA-N 0 0 423.476 3.111 50 5 HGBARN CC(C)NS(=O)(=O)c1ccc(Oc2ccc(-c3nnco3)cc2)c([N+](=O)[O-])c1 ZINC000012769936 568950508 /nfs/dbraw/zinc/95/05/08/568950508.db2.gz QUEULIYDYLHEOO-UHFFFAOYSA-N 0 0 404.404 3.124 50 5 HGBARN Cc1ccc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1[N+](=O)[O-] ZINC000012776876 568955342 /nfs/dbraw/zinc/95/53/42/568955342.db2.gz LTBRHDFIXXYVDP-UHFFFAOYSA-N 0 0 408.340 3.158 50 5 HGBARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])c1 ZINC000007982492 568963781 /nfs/dbraw/zinc/96/37/81/568963781.db2.gz MYZVWNFTGJBECU-UHFFFAOYSA-N 0 0 407.448 3.376 50 5 HGBARN CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(NC(C)=O)c2)c([N+](=O)[O-])c1 ZINC000007984096 568963944 /nfs/dbraw/zinc/96/39/44/568963944.db2.gz KPRSDTPMWMMTPP-UHFFFAOYSA-N 0 0 407.448 3.376 50 5 HGBARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(C)c1[N+](=O)[O-] 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COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000003541380 568913769 /nfs/dbraw/zinc/91/37/69/568913769.db2.gz QSIUKPPCNFJZCK-UHFFFAOYSA-N 0 0 420.853 3.074 50 5 HGBARN Cc1ccccc1NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000058430691 568918019 /nfs/dbraw/zinc/91/80/19/568918019.db2.gz IVJJAJWJOWBNRD-UHFFFAOYSA-N 0 0 424.501 3.457 50 5 HGBARN Cc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)s2)o1 ZINC000031370727 568925086 /nfs/dbraw/zinc/92/50/86/568925086.db2.gz XHGUNSSNJZVFHQ-UHFFFAOYSA-N 0 0 413.459 3.286 50 5 HGBARN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1nc(C(C)C)no1 ZINC000058907925 568932819 /nfs/dbraw/zinc/93/28/19/568932819.db2.gz MUCGINNQRALCLD-UHFFFAOYSA-N 0 0 401.379 3.043 50 5 HGBARN Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000012747621 568933553 /nfs/dbraw/zinc/93/35/53/568933553.db2.gz UQJYSZVOONGECB-UHFFFAOYSA-N 0 0 417.487 3.008 50 5 HGBARN CSc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000012754114 568942061 /nfs/dbraw/zinc/94/20/61/568942061.db2.gz WVURWRXQVRAOLK-KRWDZBQOSA-N 0 0 401.488 3.120 50 5 HGBARN COc1ccc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000004120656 568944850 /nfs/dbraw/zinc/94/48/50/568944850.db2.gz AHVDBWOBPVDSDM-UHFFFAOYSA-N 0 0 401.444 3.357 50 5 HGBARN NC(=O)c1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000004122622 568945043 /nfs/dbraw/zinc/94/50/43/568945043.db2.gz MWWDGJXHGLCWQI-UHFFFAOYSA-N 0 0 414.487 3.487 50 5 HGBARN CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004139428 568945940 /nfs/dbraw/zinc/94/59/40/568945940.db2.gz SLVIKNGUZXJAES-DNVCBOLYSA-N 0 0 402.520 3.153 50 5 HGBARN CN(Cc1ccc(Cl)cc1Cl)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000012765950 568948206 /nfs/dbraw/zinc/94/82/06/568948206.db2.gz AJCRPRUNMQUPTO-UHFFFAOYSA-N 0 0 422.224 3.156 50 5 HGBARN COc1cc(C(=O)NCCn2c(C)nc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000025963189 568967268 /nfs/dbraw/zinc/96/72/68/568967268.db2.gz PMMDWXKRNDQJOQ-UHFFFAOYSA-N 0 0 420.372 3.293 50 5 HGBARN CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 ZINC000008427587 569001777 /nfs/dbraw/zinc/00/17/77/569001777.db2.gz VXKKEHYLMGEDSO-UHFFFAOYSA-N 0 0 418.427 3.117 50 5 HGBARN CCCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c1nc1c(C)cccn1c2=O ZINC000001825244 569009533 /nfs/dbraw/zinc/00/95/33/569009533.db2.gz CQZYGCWNCLZQDL-UHFFFAOYSA-N 0 0 422.510 3.070 50 5 HGBARN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000012928374 569024221 /nfs/dbraw/zinc/02/42/21/569024221.db2.gz YXSVUUNPEQATBW-UHFFFAOYSA-N 0 0 411.365 3.065 50 5 HGBARN CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2=O ZINC000006218501 569033364 /nfs/dbraw/zinc/03/33/64/569033364.db2.gz VINPFSSZBRVWDH-UHFFFAOYSA-N 0 0 408.842 3.078 50 5 HGBARN Cc1cc(C(=O)NCCCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1[N+](=O)[O-] ZINC000006271054 569036690 /nfs/dbraw/zinc/03/66/90/569036690.db2.gz CFBDWDFXWIERLH-UHFFFAOYSA-N 0 0 414.418 3.060 50 5 HGBARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000016474727 569052616 /nfs/dbraw/zinc/05/26/16/569052616.db2.gz AGUCPBBPVBJLLC-LLVKDONJSA-N 0 0 422.463 3.357 50 5 HGBARN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000240668562 569054639 /nfs/dbraw/zinc/05/46/39/569054639.db2.gz HNKOZKAQDUDYED-PERKRYKHSA-N 0 0 418.493 3.487 50 5 HGBARN NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001880193 569056916 /nfs/dbraw/zinc/05/69/16/569056916.db2.gz ZHPDQXZWDMETTF-UHFFFAOYSA-N 0 0 410.411 3.081 50 5 HGBARN COc1ccc(Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(OC)c1 ZINC000006549256 569064852 /nfs/dbraw/zinc/06/48/52/569064852.db2.gz CUTYIXMMXSSKGH-UHFFFAOYSA-N 0 0 407.448 3.140 50 5 HGBARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1C ZINC000002058766 569072168 /nfs/dbraw/zinc/07/21/68/569072168.db2.gz OPFKYNWZMSLJHN-LJQANCHMSA-N 0 0 411.414 3.187 50 5 HGBARN CCCCOc1ccc(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)C3=C2O)cc1 ZINC000006783197 569120630 /nfs/dbraw/zinc/12/06/30/569120630.db2.gz SKEXRTWFRRASLF-HKUYNNGSSA-N 0 0 409.398 3.066 50 5 HGBARN Cc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@H](C(=O)NC(C)C)[C@@H]3C2)cc1 ZINC000169681731 569127743 /nfs/dbraw/zinc/12/77/43/569127743.db2.gz LKFZFMSUDIUADY-IRLDBZIGSA-N 0 0 408.502 3.295 50 5 HGBARN O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000006841630 569151874 /nfs/dbraw/zinc/15/18/74/569151874.db2.gz IQKBUNGXVGOUFW-KRWDZBQOSA-N 0 0 404.806 3.005 50 5 HGBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000036392010 569167390 /nfs/dbraw/zinc/16/73/90/569167390.db2.gz GFEQZDJEYWFPIS-IBGZPJMESA-N 0 0 413.861 3.438 50 5 HGBARN Cc1cc(OCc2ccc(C(=O)N3NC=C[C@@]3(O)C(F)(F)F)o2)ccc1[N+](=O)[O-] ZINC000006922164 569182617 /nfs/dbraw/zinc/18/26/17/569182617.db2.gz MZFHHWYWDYEXHK-MRXNPFEDSA-N 0 0 413.308 3.158 50 5 HGBARN C[C@@H]1CN([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)C[C@H](C)O1 ZINC000016790849 569263138 /nfs/dbraw/zinc/26/31/38/569263138.db2.gz NYFHBIAJUKMRKB-RBZYPMLTSA-N 0 0 410.685 3.130 50 5 HGBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000027374964 569298152 /nfs/dbraw/zinc/29/81/52/569298152.db2.gz PQKRUKJVZASWQC-ZBFHGGJFSA-N 0 0 422.441 3.261 50 5 HGBARN COc1ccc(Cl)cc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1=O ZINC000037522351 569303155 /nfs/dbraw/zinc/30/31/55/569303155.db2.gz PMLWICYFEPYZFK-GFCCVEGCSA-N 0 0 403.822 3.134 50 5 HGBARN CCN(C)C(=O)c1ccccc1N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000037525258 569304048 /nfs/dbraw/zinc/30/40/48/569304048.db2.gz BVMPKHLEHOEUBH-UHFFFAOYSA-N 0 0 410.474 3.086 50 5 HGBARN O=c1c2c3nc4ccccc4nc3n(Cc3ccco3)c2ncn1C[C@H]1CCCO1 ZINC000002250254 569323935 /nfs/dbraw/zinc/32/39/35/569323935.db2.gz WKCNIEGXWSEABO-CQSZACIVSA-N 0 0 401.426 3.115 50 5 HGBARN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)nn1C ZINC000002278701 569327984 /nfs/dbraw/zinc/32/79/84/569327984.db2.gz WKBYVCPZZXFNQW-UHFFFAOYSA-N 0 0 424.373 3.050 50 5 HGBARN CCOC(=O)CSCc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12 ZINC000253433059 569370090 /nfs/dbraw/zinc/37/00/90/569370090.db2.gz RGEBDEGCTKQVRG-UHFFFAOYSA-N 0 0 406.467 3.101 50 5 HGBARN COCCNC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000002308573 569372076 /nfs/dbraw/zinc/37/20/76/569372076.db2.gz COZDUTLPKVMHMC-UHFFFAOYSA-N 0 0 403.460 3.164 50 5 HGBARN O=C(c1ccccc1)[C@@H]1ON=C(c2ccc([N+](=O)[O-])cc2)[C@]12C(=O)Nc1ccccc12 ZINC000002330388 569375799 /nfs/dbraw/zinc/37/57/99/569375799.db2.gz TXJHZJYGLJUAQU-GMAHTHKFSA-N 0 0 413.389 3.471 50 5 HGBARN COC(=O)c1cnc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1C ZINC000008857243 569390611 /nfs/dbraw/zinc/39/06/11/569390611.db2.gz PGRMBRCHKMXOOU-UHFFFAOYSA-N 0 0 406.298 3.193 50 5 HGBARN CCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(C(=O)OC)cc2)c1=O ZINC000002406406 569396103 /nfs/dbraw/zinc/39/61/03/569396103.db2.gz VZIHASYDFONVMD-UHFFFAOYSA-N 0 0 413.437 3.480 50 5 HGBARN CCOC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000012859368 569404223 /nfs/dbraw/zinc/40/42/23/569404223.db2.gz ZFVCAZUITJXSBX-OAHLLOKOSA-N 0 0 424.434 3.427 50 5 HGBARN CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000078874854 569421038 /nfs/dbraw/zinc/42/10/38/569421038.db2.gz IPLTWCAPFFEFMP-ZWKOTPCHSA-N 0 0 405.495 3.123 50 5 HGBARN CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000078874843 569421057 /nfs/dbraw/zinc/42/10/57/569421057.db2.gz IPLTWCAPFFEFMP-MSOLQXFVSA-N 0 0 405.495 3.123 50 5 HGBARN O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000079076536 569427088 /nfs/dbraw/zinc/42/70/88/569427088.db2.gz SJSXXKJSQGIIEV-MRXNPFEDSA-N 0 0 407.430 3.175 50 5 HGBARN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1nc2cccnc2n1Cc1ccc(F)cc1 ZINC000008600629 571089897 /nfs/dbraw/zinc/08/98/97/571089897.db2.gz VIPJBKQHSCHPNB-UHFFFAOYSA-N 0 0 419.416 3.386 50 5 HGBARN COc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c([N+](=O)[O-])cc1OC(F)F ZINC000040023491 571139462 /nfs/dbraw/zinc/13/94/62/571139462.db2.gz NCCVIBZIHIRZOE-QMMMGPOBSA-N 0 0 423.328 3.177 50 5 HGBARN O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000040080058 571155186 /nfs/dbraw/zinc/15/51/86/571155186.db2.gz BSQGOBIDQMXUDD-UHFFFAOYSA-N 0 0 407.308 3.016 50 5 HGBARN O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000040090261 571160503 /nfs/dbraw/zinc/16/05/03/571160503.db2.gz ZBRQUKQBZZWAQY-UHFFFAOYSA-N 0 0 400.778 3.457 50 5 HGBARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000008948414 571172491 /nfs/dbraw/zinc/17/24/91/571172491.db2.gz PISODYASYBXLOM-QFIPXVFZSA-N 0 0 424.457 3.298 50 5 HGBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000040116911 571174534 /nfs/dbraw/zinc/17/45/34/571174534.db2.gz FXQIZFCVHHKSBK-AREMUKBSSA-N 0 0 413.238 3.305 50 5 HGBARN COc1ccnc(N2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC000040155597 571202773 /nfs/dbraw/zinc/20/27/73/571202773.db2.gz OPCOIGAHMCQIQU-UHFFFAOYSA-N 0 0 417.775 3.392 50 5 HGBARN CCOc1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c([N+](=O)[O-])c1 ZINC000009441741 571259182 /nfs/dbraw/zinc/25/91/82/571259182.db2.gz WIOQFZIVYCIRHA-UHFFFAOYSA-N 0 0 419.743 3.466 50 5 HGBARN COc1cc(NC(=O)CSc2nnc3[nH]c4ccccc4n32)c(C)cc1[N+](=O)[O-] ZINC000009512125 571264234 /nfs/dbraw/zinc/26/42/34/571264234.db2.gz ZHGQCORUXRKAPF-UHFFFAOYSA-N 0 0 412.431 3.167 50 5 HGBARN C[C@H](NC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O)c1ccccc1 ZINC000009763416 571284725 /nfs/dbraw/zinc/28/47/25/571284725.db2.gz IOUGIFUUGWXXSF-MGPUTAFESA-N 0 0 405.410 3.058 50 5 HGBARN O=C(CSc1ncc(CO)n1Cc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000010336394 571300905 /nfs/dbraw/zinc/30/09/05/571300905.db2.gz HMVAKDFBTFSJJI-UHFFFAOYSA-N 0 0 416.434 3.202 50 5 HGBARN CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@@H](C)c3ccccc3)c2)CC1 ZINC000004143363 132272097 /nfs/dbraw/zinc/27/20/97/132272097.db2.gz UUKRSZSKURUMHQ-INIZCTEOSA-N 0 0 418.519 3.240 50 5 aggregator HGBARN COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1 ZINC000004739205 132286572 /nfs/dbraw/zinc/28/65/72/132286572.db2.gz NQAYXACOBYRCKB-UHFFFAOYSA-N 0 0 410.474 3.166 50 5 HGBARN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005446241 132305737 /nfs/dbraw/zinc/30/57/37/132305737.db2.gz UWRIUMSNFICFTI-UHFFFAOYSA-N 0 0 406.782 3.245 50 5 HGBARN CCn1c2ccccc2c(N2CCN(c3ccccc3OC)CC2)c([N+](=O)[O-])c1=O ZINC000005487604 132306394 /nfs/dbraw/zinc/30/63/94/132306394.db2.gz XJYQKAADCQKIRM-UHFFFAOYSA-N 0 0 408.458 3.265 50 5 HGBARN CCOC(=O)Cc1csc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000005525558 132306546 /nfs/dbraw/zinc/30/65/46/132306546.db2.gz WDLMPDBFBMRYMJ-UHFFFAOYSA-N 0 0 418.475 3.400 50 5 HGBARN C[C@H](C(=O)Nc1cccc2ncccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012537250 132362301 /nfs/dbraw/zinc/36/23/01/132362301.db2.gz PMSNJCNOPYZIRD-MRXNPFEDSA-N 0 0 405.458 3.292 50 5 HGBARN CC(=O)c1cn(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc12 ZINC000032089731 518478114 /nfs/dbraw/zinc/47/81/14/518478114.db2.gz CYHZWZZLGLBIKI-UHFFFAOYSA-N 0 0 406.442 3.101 50 5 HGBARN C[C@@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCCO2 ZINC000032777372 525124521 /nfs/dbraw/zinc/12/45/21/525124521.db2.gz NFNLOACQULWNJM-LLVKDONJSA-N 0 0 415.427 3.477 50 5 HGBARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000032754213 526060331 /nfs/dbraw/zinc/06/03/31/526060331.db2.gz PBJIADIZUHOUJH-ZDUSSCGKSA-N 0 0 408.501 3.310 50 5 HGBARN Cc1cc(C(=O)Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)c(C)s1 ZINC000032831868 526217360 /nfs/dbraw/zinc/21/73/60/526217360.db2.gz BJMZTWPIDYMIHV-UHFFFAOYSA-N 0 0 409.427 3.052 50 5 HGBARN O=C(N[C@H](NCc1ccccn1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000019833080 527003362 /nfs/dbraw/zinc/00/33/62/527003362.db2.gz HFSPHPDQCJHQQH-AWEZNQCLSA-N 0 0 403.653 3.206 50 5 HGBARN Cc1nc2ccccc2nc1COC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000032830244 527173191 /nfs/dbraw/zinc/17/31/91/527173191.db2.gz WNQRQLNULQYZCO-UHFFFAOYSA-N 0 0 408.414 3.040 50 5 HGBARN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1 ZINC000002316049 557336692 /nfs/dbraw/zinc/33/66/92/557336692.db2.gz UGRZNMHJTLNKBU-UHFFFAOYSA-N 0 0 407.404 3.276 50 5 HGBARN COCCn1c(=O)c2c(=O)c3ccccc3sc2nc1-c1ccc([N+](=O)[O-])cc1 ZINC000002345237 557338819 /nfs/dbraw/zinc/33/88/19/557338819.db2.gz XYUJDUWKXKLPDK-UHFFFAOYSA-N 0 0 409.423 3.193 50 5 HGBARN Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc([N+](=O)[O-])cc3)co2)n1 ZINC000004377284 558477202 /nfs/dbraw/zinc/47/72/02/558477202.db2.gz QPBCBEIYIOSWHN-UHFFFAOYSA-N 0 0 413.411 3.466 50 5 HGBARN CCn1c2ccccc2n(CCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1=O ZINC000010903983 558557005 /nfs/dbraw/zinc/55/70/05/558557005.db2.gz 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O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)NCc1ccccc1 ZINC000001114787 568770734 /nfs/dbraw/zinc/77/07/34/568770734.db2.gz BTHIANXJPXDUTE-UHFFFAOYSA-N 0 0 414.421 3.288 50 5 HGBARN CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1 ZINC000001138289 568773489 /nfs/dbraw/zinc/77/34/89/568773489.db2.gz KGSYMGXQQPMULH-UHFFFAOYSA-N 0 0 418.258 3.306 50 5 HGBARN CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 ZINC000001158980 568774444 /nfs/dbraw/zinc/77/44/44/568774444.db2.gz VFXQFFOBUNGUAY-MRXNPFEDSA-N 0 0 404.398 3.305 50 5 HGBARN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055451918 568776482 /nfs/dbraw/zinc/77/64/82/568776482.db2.gz HNKOZKAQDUDYED-WVBUVRCRSA-N 0 0 418.493 3.487 50 5 HGBARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N2C(=O)CCSC2=N1 ZINC000002502909 568776681 /nfs/dbraw/zinc/77/66/81/568776681.db2.gz VVELYOAROWABBY-KRWDZBQOSA-N 0 0 403.460 3.444 50 5 HGBARN Cn1c(COc2ccc([N+](=O)[O-])cc2)c(Br)c(=O)n1-c1ccccc1 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O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000017917892 560730559 /nfs/dbraw/zinc/73/05/59/560730559.db2.gz AFCTZKYPTZBVGN-HSALFYBXSA-N 0 0 416.393 3.041 50 5 HGBARN COCCCn1c(=N)c(-c2nc3ccccc3s2)cc2c1nc1ccccn1c2=O ZINC000101156782 560787105 /nfs/dbraw/zinc/78/71/05/560787105.db2.gz FFDVDRAVPRXGPN-UHFFFAOYSA-N 0 0 417.494 3.442 50 5 HGBARN O=C1[C@@H]2ON=C(c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000103559244 560843232 /nfs/dbraw/zinc/84/32/32/560843232.db2.gz VKJQQNNZECEUED-DZGCQCFKSA-N 0 0 406.181 3.194 50 5 HGBARN O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000103563653 560843353 /nfs/dbraw/zinc/84/33/53/560843353.db2.gz HYFHXRTXODHYDI-UKRRQHHQSA-N 0 0 406.181 3.194 50 5 HGBARN Cn1cc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2ccc(Br)s2)o1 ZINC000024536718 560844016 /nfs/dbraw/zinc/84/40/16/560844016.db2.gz VTHGWIGNZFUKNC-UHFFFAOYSA-N 0 0 413.209 3.164 50 5 HGBARN O=C(c1cc([N+](=O)[O-])c(C(=O)c2cccc([N+](=O)[O-])c2)o1)c1cccc([N+](=O)[O-])c1 ZINC000104250726 560850018 /nfs/dbraw/zinc/85/00/18/560850018.db2.gz ZJIXOKZBAVESLZ-UHFFFAOYSA-N 0 0 411.282 3.466 50 5 HGBARN Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000005721631 560852825 /nfs/dbraw/zinc/85/28/25/560852825.db2.gz KLQHRZNMLXQPSR-UHFFFAOYSA-N 0 0 410.474 3.460 50 5 HGBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000048300364 568437451 /nfs/dbraw/zinc/43/74/51/568437451.db2.gz CDXADVRVFXSKOJ-UHFFFAOYSA-N 0 0 416.409 3.311 50 5 HGBARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000670559 568460726 /nfs/dbraw/zinc/46/07/26/568460726.db2.gz PERXMFJHABRKIH-UHFFFAOYSA-N 0 0 403.460 3.412 50 5 HGBARN COC(=O)c1nn(-c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000020137895 568589687 /nfs/dbraw/zinc/58/96/87/568589687.db2.gz YPZXTIMGKKPHAO-UHFFFAOYSA-N 0 0 411.271 3.182 50 5 HGBARN CCOc1ccc(N2C(=O)c3cccc4c(NCCO)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000095470805 568626410 /nfs/dbraw/zinc/62/64/10/568626410.db2.gz CHCZHVPKYYPEBH-UHFFFAOYSA-N 0 0 421.409 3.352 50 5 HGBARN O=C(NCCCN1CCOCC1)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000020664106 568639573 /nfs/dbraw/zinc/63/95/73/568639573.db2.gz NZPAAEZSWIPMEN-UHFFFAOYSA-N 0 0 419.478 3.337 50 5 HGBARN O=C(C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc([N+](=O)[O-])cc1 ZINC000020738873 568641250 /nfs/dbraw/zinc/64/12/50/568641250.db2.gz MEBRYLGSJLTYIL-CQSZACIVSA-N 0 0 412.793 3.029 50 5 HGBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000025434283 568767701 /nfs/dbraw/zinc/76/77/01/568767701.db2.gz YBUOKAMDVOXDPZ-UHFFFAOYSA-N 0 0 418.287 3.460 50 5 HGBARN O=C(NN1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O)c1ccccc1 ZINC000001085673 568767710 /nfs/dbraw/zinc/76/77/10/568767710.db2.gz DFIAZLAGRIWDNR-UHFFFAOYSA-N 0 0 403.350 3.328 50 5 HGBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1nc2ccccc2n1C(F)F 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ZINC000004931113 559209787 /nfs/dbraw/zinc/20/97/87/559209787.db2.gz WLQBNIVZRFBNNT-UHFFFAOYSA-N 0 0 410.459 3.296 50 5 HGBARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004996050 559225149 /nfs/dbraw/zinc/22/51/49/559225149.db2.gz IUDPGMQCRYBWFH-AWEZNQCLSA-N 0 0 403.460 3.410 50 5 HGBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1 ZINC000005137716 559251354 /nfs/dbraw/zinc/25/13/54/559251354.db2.gz LWCMHMCIOBWXRU-UHFFFAOYSA-N 0 0 407.448 3.378 50 5 HGBARN C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCCOc1ccccc1F ZINC000011775694 559259012 /nfs/dbraw/zinc/25/90/12/559259012.db2.gz AZJILMRLCPVHJY-NSHDSACASA-N 0 0 410.785 3.128 50 5 HGBARN O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000005259344 560551844 /nfs/dbraw/zinc/55/18/44/560551844.db2.gz VTLJRGUBUQCPOO-UHFFFAOYSA-N 0 0 405.414 3.141 50 5 HGBARN COc1ccc(C)cc1COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000005315890 560564489 /nfs/dbraw/zinc/56/44/89/560564489.db2.gz 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Cc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@H](C(=O)NC(C)C)[C@H]3C2)cc1 ZINC000104919979 560856820 /nfs/dbraw/zinc/85/68/20/560856820.db2.gz LKFZFMSUDIUADY-IFMALSPDSA-N 0 0 408.502 3.295 50 5 HGBARN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1nc2cccnc2n1Cc1ccccc1 ZINC000046916206 560879366 /nfs/dbraw/zinc/87/93/66/560879366.db2.gz BCWLUCOOTCHRQC-UHFFFAOYSA-N 0 0 401.426 3.247 50 5 HGBARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000000662977 568460126 /nfs/dbraw/zinc/46/01/26/568460126.db2.gz NJBGOMYMJXCUOM-QGZVFWFLSA-N 0 0 401.375 3.054 50 5 HGBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000715325 568464821 /nfs/dbraw/zinc/46/48/21/568464821.db2.gz FTUGWUVRHVMBRW-HXUWFJFHSA-N 0 0 415.405 3.441 50 5 HGBARN Cc1nnc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 ZINC000024957150 568498318 /nfs/dbraw/zinc/49/83/18/568498318.db2.gz VHHDKQNGCSYPJH-UHFFFAOYSA-N 0 0 414.340 3.265 50 5 HGBARN O=c1c2cc([N+](=O)[O-])c(Cl)cc2ncn1C[C@H](O)COc1ccc(Cl)cc1 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ZINC000005895867 568828577 /nfs/dbraw/zinc/82/85/77/568828577.db2.gz AXWQUOYTIDEERU-UHFFFAOYSA-N 0 0 407.448 3.140 50 5 HGBARN Cc1ccccc1-n1ncc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C1CC1 ZINC000029755847 568828958 /nfs/dbraw/zinc/82/89/58/568828958.db2.gz VKRWXJWXABQCGI-HXUWFJFHSA-N 0 0 406.442 3.430 50 5 HGBARN O=C(NCCCN1CCOCC1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000002970415 568831777 /nfs/dbraw/zinc/83/17/77/568831777.db2.gz RNCWJVFHIDPWNA-UHFFFAOYSA-N 0 0 421.526 3.150 50 5 HGBARN C[C@@H]1CCN(C(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)c2ccccc2S1 ZINC000057585520 568854527 /nfs/dbraw/zinc/85/45/27/568854527.db2.gz XUQPSVAZTQDUHB-CQSZACIVSA-N 0 0 416.503 3.328 50 5 HGBARN CCCOc1ccc(-c2nc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc1 ZINC000003636905 568865206 /nfs/dbraw/zinc/86/52/06/568865206.db2.gz FPWZTTGARXXOBP-ATVHPVEESA-N 0 0 408.439 3.063 50 5 HGBARN COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 ZINC000217351297 568871515 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Cc1ccc(I)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000001431133 568939956 /nfs/dbraw/zinc/93/99/56/568939956.db2.gz UKPSZUGMLLAGSE-UHFFFAOYSA-N 0 0 408.151 3.308 50 5 HGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCNS(=O)(=O)c1ccccc1 ZINC000004091546 568942439 /nfs/dbraw/zinc/94/24/39/568942439.db2.gz GXCUFWQWJYFYBK-UHFFFAOYSA-N 0 0 403.382 3.394 50 5 HGBARN COc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000012754771 568942477 /nfs/dbraw/zinc/94/24/77/568942477.db2.gz XIDZYZOCCJTJAS-AWEZNQCLSA-N 0 0 407.426 3.364 50 5 HGBARN COc1ccc(CC(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000004120126 568944720 /nfs/dbraw/zinc/94/47/20/568944720.db2.gz AHGRMXVTYFMEMA-UHFFFAOYSA-N 0 0 415.471 3.286 50 5 HGBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000012764818 568947711 /nfs/dbraw/zinc/94/77/11/568947711.db2.gz PSJFHGHOROESCR-UHFFFAOYSA-N 0 0 411.197 3.058 50 5 HGBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000012766936 568948941 /nfs/dbraw/zinc/94/89/41/568948941.db2.gz OJGRHWMDJAZTEW-UHFFFAOYSA-N 0 0 422.441 3.262 50 5 HGBARN COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Cn1cccn1 ZINC000084647824 568954589 /nfs/dbraw/zinc/95/45/89/568954589.db2.gz LPEUZESGOLHAIF-CQSZACIVSA-N 0 0 410.430 3.348 50 5 HGBARN COc1cccc(CN(C)c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1 ZINC000007984320 568964188 /nfs/dbraw/zinc/96/41/88/568964188.db2.gz ISIDMBJVPUSSAY-UHFFFAOYSA-N 0 0 405.476 3.024 50 5 HGBARN Cc1ccc(-c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000008020231 568968666 /nfs/dbraw/zinc/96/86/66/568968666.db2.gz GBGUPMTYALVWMG-UHFFFAOYSA-N 0 0 401.400 3.063 50 5 HGBARN CCN(CC)C(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OC)c1C ZINC000006046312 568981184 /nfs/dbraw/zinc/98/11/84/568981184.db2.gz RXSFQSNARLNVND-UHFFFAOYSA-N 0 0 419.459 3.486 50 5 HGBARN Cc1ccc(C)c(OC[C@H](O)Cn2cnc3cc(Cl)c([N+](=O)[O-])cc3c2=O)c1 ZINC000012814541 568989176 /nfs/dbraw/zinc/98/91/76/568989176.db2.gz 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CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000006784216 569121382 /nfs/dbraw/zinc/12/13/82/569121382.db2.gz AYQGDHDSQJWDFT-GOSISDBHSA-N 0 0 412.471 3.425 50 5 HGBARN O=C(Nc1ccccc1N1CCOCC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000006822029 569140875 /nfs/dbraw/zinc/14/08/75/569140875.db2.gz ZUPFRWBQGVKYFS-UHFFFAOYSA-N 0 0 406.236 3.446 50 5 HGBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000036392009 569167377 /nfs/dbraw/zinc/16/73/77/569167377.db2.gz GFEQZDJEYWFPIS-LJQANCHMSA-N 0 0 413.861 3.438 50 5 HGBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000006949103 569188370 /nfs/dbraw/zinc/18/83/70/569188370.db2.gz NRWWYZDMABQIKJ-IBGZPJMESA-N 0 0 415.398 3.376 50 5 HGBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCc1ccc2c(c1)OCO2 ZINC000006948130 569188685 /nfs/dbraw/zinc/18/86/85/569188685.db2.gz ALAMXSNBIFTVCB-UHFFFAOYSA-N 0 0 403.441 3.342 50 5 HGBARN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(c2ccc(Br)cc2)CC1 ZINC000036741021 569225855 /nfs/dbraw/zinc/22/58/55/569225855.db2.gz XCORCVFZXKCNKN-INIZCTEOSA-N 0 0 405.248 3.239 50 5 HGBARN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000065589417 569236485 /nfs/dbraw/zinc/23/64/85/569236485.db2.gz GJENWJWDIYEKJQ-CQSZACIVSA-N 0 0 407.473 3.127 50 5 HGBARN CCOc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c([N+](=O)[O-])cc1OC ZINC000007568038 569250639 /nfs/dbraw/zinc/25/06/39/569250639.db2.gz BZCYBZGQTILQLZ-UHFFFAOYSA-N 0 0 410.329 3.076 50 5 HGBARN COc1cc(C(=O)NCC(=O)NC2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000009882364 569251313 /nfs/dbraw/zinc/25/13/13/569251313.db2.gz PLBHVFINVPXGCQ-UHFFFAOYSA-N 0 0 419.821 3.058 50 5 HGBARN COc1ccc2c(c1)OCC(/C=C1\N=C(c3ccc(OC)c([N+](=O)[O-])c3)OC1=O)=C2 ZINC000014176185 569258798 /nfs/dbraw/zinc/25/87/98/569258798.db2.gz OPRGRRLDSCIOJE-PXNMLYILSA-N 0 0 408.366 3.275 50 5 HGBARN CCCOC(=O)c1c2c(sc1NC(=O)Cn1nc([N+](=O)[O-])cc1C)CCCC2 ZINC000002083623 569277823 /nfs/dbraw/zinc/27/78/23/569277823.db2.gz CRHUKCSAOMSLNL-UHFFFAOYSA-N 0 0 406.464 3.246 50 5 HGBARN CCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O ZINC000002150685 569290025 /nfs/dbraw/zinc/29/00/25/569290025.db2.gz GBYIFYCKCWCRLP-UGKGYDQZSA-N 0 0 418.453 3.171 50 5 biogenic HGBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000007881178 569315163 /nfs/dbraw/zinc/31/51/63/569315163.db2.gz XURNCPDUSZQGGH-UHFFFAOYSA-N 0 0 409.851 3.285 50 5 HGBARN Cc1nc2c(c3nc4ccccc4nc3n2Cc2ccco2)c(=O)n1C[C@@H]1CCCO1 ZINC000002247114 569324363 /nfs/dbraw/zinc/32/43/63/569324363.db2.gz QUYGKMTWKXBZKI-HNNXBMFYSA-N 0 0 415.453 3.423 50 5 HGBARN CCCOc1ccc(-c2nc3s/c(=C\c4ccccc4[N+](=O)[O-])c(=O)n3n2)cc1 ZINC000002261369 569325322 /nfs/dbraw/zinc/32/53/22/569325322.db2.gz XEQTVALXXHDPPX-ATVHPVEESA-N 0 0 408.439 3.063 50 5 HGBARN O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c3ncn4-c3ccccc3)CC2)cc1 ZINC000019926091 569357545 /nfs/dbraw/zinc/35/75/45/569357545.db2.gz LTILANWZLOZQSI-UHFFFAOYSA-N 0 0 401.430 3.050 50 5 HGBARN CC(C)Oc1ccc(-c2nc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc1 ZINC000002316147 569373223 /nfs/dbraw/zinc/37/32/23/569373223.db2.gz KOKULQMNUBAGHB-BOPFTXTBSA-N 0 0 408.439 3.061 50 5 HGBARN O=C(CN1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017988824 569382281 /nfs/dbraw/zinc/38/22/81/569382281.db2.gz RPHSVRKAPNYPTL-KFKAGJAMSA-N 0 0 407.426 3.102 50 5 HGBARN O=C(c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCCC1 ZINC000008873398 569390693 /nfs/dbraw/zinc/39/06/93/569390693.db2.gz KUTGNGKRDUAJKH-UHFFFAOYSA-N 0 0 408.863 3.458 50 5 HGBARN COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 ZINC000012998368 569406281 /nfs/dbraw/zinc/40/62/81/569406281.db2.gz DPIWQMOTYZHGSA-QGZVFWFLSA-N 0 0 412.398 3.130 50 5 HGBARN CC(C)(C)OC(=O)N1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000078623954 569414551 /nfs/dbraw/zinc/41/45/51/569414551.db2.gz ZCLAPHVSBCGIGU-UHFFFAOYSA-N 0 0 403.439 3.088 50 5 HGBARN O=[N+]([O-])c1ccc2c(c1)Oc1cc([N+](=O)[O-])ccc1OCCOCCOCCO2 ZINC000008721934 571107173 /nfs/dbraw/zinc/10/71/73/571107173.db2.gz JHPYADSFNUAATB-UHFFFAOYSA-N 0 0 406.347 3.100 50 5 HGBARN COC(=O)C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000040079798 571154898 /nfs/dbraw/zinc/15/48/98/571154898.db2.gz GBLAMWBYULBBRU-OAHLLOKOSA-N 0 0 402.794 3.159 50 5 HGBARN CCOC(=O)c1cc(C(=O)NCc2ccc(OCC)c(OC)c2)cc([N+](=O)[O-])c1 ZINC000040089407 571159465 /nfs/dbraw/zinc/15/94/65/571159465.db2.gz IPJOUEZQOCZXCL-UHFFFAOYSA-N 0 0 402.403 3.109 50 5 HGBARN O=C(COC(=O)c1cncc(Br)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000009597041 571272536 /nfs/dbraw/zinc/27/25/36/571272536.db2.gz JTXFGUGUIRYZOD-UHFFFAOYSA-N 0 0 414.599 3.201 50 5 HGBARN CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)nn1 ZINC000009627025 571274553 /nfs/dbraw/zinc/27/45/53/571274553.db2.gz LPGLYLAOVHCRCI-UHFFFAOYSA-N 0 0 412.427 3.098 50 5 HGBARN CC(C)[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000009761083 571284389 /nfs/dbraw/zinc/28/43/89/571284389.db2.gz OWTFDFBCMFSRSR-FQEVSTJZSA-N 0 0 414.462 3.474 50 5 HGBARN O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000009912404 571289992 /nfs/dbraw/zinc/28/99/92/571289992.db2.gz JJIGLKBAYMNASK-UHFFFAOYSA-N 0 0 408.802 3.094 50 5 HGBARN COc1ccc2cc(CNC(=O)CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2c1 ZINC000009942469 571291100 /nfs/dbraw/zinc/29/11/00/571291100.db2.gz ZMUIZOFELKBNFH-UHFFFAOYSA-N 0 0 407.426 3.111 50 5 HGBARN CCc1ccc([C@@H]2c3c(-c4ccc([N+](=O)[O-])cc4)n[nH]c(=O)c3Nc3nnnn32)cc1 ZINC000010296273 571299512 /nfs/dbraw/zinc/29/95/12/571299512.db2.gz VIKGUWIXRGKDNI-GOSISDBHSA-N 0 0 416.401 3.001 50 5 HGBARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000002585718 132255524 /nfs/dbraw/zinc/25/55/24/132255524.db2.gz MHLALBFKCZRZRW-UHFFFAOYSA-N 0 0 404.810 3.427 50 5 HGBARN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1C ZINC000004125265 132271888 /nfs/dbraw/zinc/27/18/88/132271888.db2.gz XEFQLGUMKNPBQC-UHFFFAOYSA-N 0 0 424.501 3.011 50 5 HGBARN O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000004659734 132281008 /nfs/dbraw/zinc/28/10/08/132281008.db2.gz VWXDVOUHOGJHMZ-AEFFLSMTSA-N 0 0 422.485 3.006 50 5 HGBARN COc1ccc(OC)c(Nc2nc(N3C[C@H](C)C[C@@H](C)C3)nc(N)c2[N+](=O)[O-])c1 ZINC000005031989 132298969 /nfs/dbraw/zinc/29/89/69/132298969.db2.gz UNXYKSBMTXRBLT-VXGBXAGGSA-N 0 0 402.455 3.210 50 5 HGBARN O=C(c1ccco1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000009720442 132342906 /nfs/dbraw/zinc/34/29/06/132342906.db2.gz ITMZHHJODJCDEM-UHFFFAOYSA-N 0 0 414.296 3.077 50 5 HGBARN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1cccc(F)c1 ZINC000009846247 132343639 /nfs/dbraw/zinc/34/36/39/132343639.db2.gz OPKYBSLBQIYRNM-UHFFFAOYSA-N 0 0 422.869 3.224 50 5 HGBARN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(-n2cncn2)cc1 ZINC000012528326 132361914 /nfs/dbraw/zinc/36/19/14/132361914.db2.gz ARPSRFBTLBOKFY-MRXNPFEDSA-N 0 0 420.473 3.269 50 5 HGBARN CCCCc1noc([C@@H](C)Oc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])n1 ZINC000032761060 521346390 /nfs/dbraw/zinc/34/63/90/521346390.db2.gz YNVKYOFCVIBKAD-CYBMUJFWSA-N 0 0 424.479 3.245 50 5 HGBARN CCn1nccc1CN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000020602578 523725981 /nfs/dbraw/zinc/72/59/81/523725981.db2.gz KSZWEVDRMHNADX-UHFFFAOYSA-N 0 0 400.460 3.202 50 5 HGBARN Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020109750 524734308 /nfs/dbraw/zinc/73/43/08/524734308.db2.gz IYVAGEWTVIFIOU-SFHVURJKSA-N 0 0 405.882 3.119 50 5 HGBARN C[C@H]1C[C@@H](OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)O1 ZINC000032736579 524824162 /nfs/dbraw/zinc/82/41/62/524824162.db2.gz FZGVUKLDWOTVFV-ZUZCIYMTSA-N 0 0 416.352 3.077 50 5 HGBARN C[C@@H]1C[C@@H](OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)O1 ZINC000032736578 525283734 /nfs/dbraw/zinc/28/37/34/525283734.db2.gz FZGVUKLDWOTVFV-MEBBXXQBSA-N 0 0 416.352 3.077 50 5 HGBARN O=c1c2cc3c(ccn(C[C@@H]4CCCO4)c3=O)nc2ccn1CCc1ccccc1 ZINC000040398851 527463177 /nfs/dbraw/zinc/46/31/77/527463177.db2.gz LERAQHPGTIXCMN-SFHVURJKSA-N 0 0 401.466 3.133 50 5 HGBARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000010810132 558457270 /nfs/dbraw/zinc/45/72/70/558457270.db2.gz ZYASREIDPDODMD-LBPRGKRZSA-N 0 0 402.838 3.448 50 5 HGBARN COc1cc(OC)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000015879672 558760304 /nfs/dbraw/zinc/76/03/04/558760304.db2.gz NFDPEADALORJCR-UHFFFAOYSA-N 0 0 424.793 3.070 50 5 HGBARN O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000004581007 558767185 /nfs/dbraw/zinc/76/71/85/558767185.db2.gz LNGLQEDNEOGFBK-UHFFFAOYSA-N 0 0 412.442 3.416 50 5 HGBARN COc1ccccc1Cn1ccc2nc3ccn(-c4ccccn4)c(=O)c3cc2c1=O ZINC000036359640 558799425 /nfs/dbraw/zinc/79/94/25/558799425.db2.gz FCPUNEFMIZSYIO-UHFFFAOYSA-N 0 0 410.433 3.153 50 5 HGBARN CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc21 ZINC000013610525 558847494 /nfs/dbraw/zinc/84/74/94/558847494.db2.gz HJSPQUVOZWLNDA-UHFFFAOYSA-N 0 0 403.460 3.258 50 5 HGBARN COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCOCC2)c1 ZINC000023106103 559009830 /nfs/dbraw/zinc/00/98/30/559009830.db2.gz VJHZSHUPYXUAIY-IBGZPJMESA-N 0 0 419.865 3.060 50 5 HGBARN Cc1onc(C(=O)Nc2ccc(F)cc2OC(F)F)c1Cn1cc([N+](=O)[O-])cn1 ZINC000013961080 559013438 /nfs/dbraw/zinc/01/34/38/559013438.db2.gz XQQCYFQYAWFYKJ-UHFFFAOYSA-N 0 0 411.296 3.129 50 5 HGBARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000004779270 559061379 /nfs/dbraw/zinc/06/13/79/559061379.db2.gz FBSHVFYOLBQNMD-UHFFFAOYSA-N 0 0 406.350 3.308 50 5 HGBARN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000004818529 559069004 /nfs/dbraw/zinc/06/90/04/559069004.db2.gz GUCHTICDTDIGHH-OQLLNIDSSA-N 0 0 402.384 3.454 50 5 HGBARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000004819686 559069135 /nfs/dbraw/zinc/06/91/35/559069135.db2.gz FYIBOGZTZPUMJG-UHFFFAOYSA-N 0 0 421.475 3.195 50 5 HGBARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 ZINC000004878607 559195820 /nfs/dbraw/zinc/19/58/20/559195820.db2.gz KFUFZYYAYXKHGZ-INIZCTEOSA-N 0 0 411.809 3.162 50 5 HGBARN CC(C)N(Cc1ccc(OS(C)(=O)=O)cc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000005096375 559245117 /nfs/dbraw/zinc/24/51/17/559245117.db2.gz OAWPWHIXJSVECI-MDWZMJQESA-N 0 0 418.471 3.384 50 5 HGBARN C[C@@]12NC(=S)N[C@@H](c3cc([N+](=O)[O-])ccc3O1)[C@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000104785622 560854769 /nfs/dbraw/zinc/85/47/69/560854769.db2.gz SPDNQJKWBRBGCH-RLFYNMQTSA-N 0 0 418.862 3.131 50 5 HGBARN Cc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@H](C(=O)N4CCCC4)[C@@H]3C2)cc1 ZINC000104919790 560856360 /nfs/dbraw/zinc/85/63/60/560856360.db2.gz REPHKUQORLBOFO-GGAORHGYSA-N 0 0 420.513 3.393 50 5 HGBARN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1nc(C(C)(C)C)no1 ZINC000046761181 560868765 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HGBARN Cc1nn(CC(=O)O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000021728818 568751994 /nfs/dbraw/zinc/75/19/94/568751994.db2.gz WDDJQUGELQWTRT-JTQLQIEISA-N 0 0 415.233 3.285 50 5 HGBARN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1C(F)(F)F ZINC000000943313 568752970 /nfs/dbraw/zinc/75/29/70/568752970.db2.gz ISTODSOHEZMBAN-UHFFFAOYSA-N 0 0 407.304 3.238 50 5 HGBARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000940460 568753094 /nfs/dbraw/zinc/75/30/94/568753094.db2.gz AJYGBLZZDRPIML-SFHVURJKSA-N 0 0 406.402 3.123 50 5 HGBARN CCOC(=O)c1c2c(sc1NC(=O)Cn1nc([N+](=O)[O-])cc1C)CCCCC2 ZINC000000995782 568760898 /nfs/dbraw/zinc/76/08/98/568760898.db2.gz INVKODDDTNGOPK-UHFFFAOYSA-N 0 0 406.464 3.246 50 5 HGBARN CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000001053006 568765044 /nfs/dbraw/zinc/76/50/44/568765044.db2.gz UCBGLAUGKGPDFP-IBGZPJMESA-N 0 0 416.459 3.054 50 5 HGBARN COc1cccc(C2=NN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)c1 ZINC000022289190 568765961 /nfs/dbraw/zinc/76/59/61/568765961.db2.gz XZIRAAMDHDOLPA-SFHVURJKSA-N 0 0 423.347 3.033 50 5 HGBARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000097218378 568769808 /nfs/dbraw/zinc/76/98/08/568769808.db2.gz SOCSLKZKKWBWQD-UHFFFAOYSA-N 0 0 401.810 3.213 50 5 HGBARN CCc1ccccc1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000055530592 568778881 /nfs/dbraw/zinc/77/88/81/568778881.db2.gz JLXAEPZUMLZMLJ-UHFFFAOYSA-N 0 0 419.485 3.466 50 5 HGBARN CCOC(=O)C(C(=O)OCC)c1c2ccccc2n(-c2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000002559203 568782384 /nfs/dbraw/zinc/78/23/84/568782384.db2.gz CFTHDOGVTFOYSU-UHFFFAOYSA-N 0 0 424.409 3.109 50 5 HGBARN CCOC(=O)c1c2c(sc1NC(=O)CCCn1nc([N+](=O)[O-])cc1C)CCC2 ZINC000002601671 568785443 /nfs/dbraw/zinc/78/54/43/568785443.db2.gz AHMNIVGKXJOPJO-UHFFFAOYSA-N 0 0 406.464 3.246 50 5 HGBARN COCCn1c2ccccc2nc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000002620029 568787087 /nfs/dbraw/zinc/78/70/87/568787087.db2.gz BFCDCPSRJBIZEX-UHFFFAOYSA-N 0 0 416.459 3.330 50 5 HGBARN CCn1nc(C)c(CN(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)c1C ZINC000002777902 568808234 /nfs/dbraw/zinc/80/82/34/568808234.db2.gz ALFCPQYRLUWSPE-UHFFFAOYSA-N 0 0 414.466 3.155 50 5 HGBARN CC(=O)c1cc2c(cc1NC(=O)c1ccccc1Cn1nc([N+](=O)[O-])cc1C)OCO2 ZINC000002794444 568810229 /nfs/dbraw/zinc/81/02/29/568810229.db2.gz JMGRBZTWONBHES-UHFFFAOYSA-N 0 0 422.397 3.332 50 5 HGBARN Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000002851170 568813085 /nfs/dbraw/zinc/81/30/85/568813085.db2.gz VVOOHHKYOHBKEP-UHFFFAOYSA-N 0 0 411.867 3.270 50 5 HGBARN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1OCC ZINC000002878301 568813989 /nfs/dbraw/zinc/81/39/89/568813989.db2.gz SBDCNNUEDZAOFJ-IBGZPJMESA-N 0 0 411.414 3.322 50 5 HGBARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000005850662 568825872 /nfs/dbraw/zinc/82/58/72/568825872.db2.gz 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O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2[O-])C1=O)Nc1ccccc1F ZINC000057469341 568838270 /nfs/dbraw/zinc/83/82/70/568838270.db2.gz NYKNFBYEAOOPEY-NVNXTCNLSA-N 0 0 417.374 3.115 50 5 HGBARN Cc1c(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cccc1[N+](=O)[O-] ZINC000012523520 568842514 /nfs/dbraw/zinc/84/25/14/568842514.db2.gz PJMPPXQBBXAPEQ-UHFFFAOYSA-N 0 0 402.363 3.023 50 5 HGBARN COc1ccccc1NN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000003044973 568847607 /nfs/dbraw/zinc/84/76/07/568847607.db2.gz PCZIJJWOVGJXAE-UHFFFAOYSA-N 0 0 408.326 3.288 50 5 HGBARN CCN(CC)c1ccc(NC(=O)COC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000003228134 568864459 /nfs/dbraw/zinc/86/44/59/568864459.db2.gz AHBPDOYVMXSVTC-UHFFFAOYSA-N 0 0 401.419 3.002 50 5 HGBARN COC(=O)c1ccc(CNC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000003256212 568868268 /nfs/dbraw/zinc/86/82/68/568868268.db2.gz MJGRHFYRLLPQIQ-UHFFFAOYSA-N 0 0 417.468 3.400 50 5 HGBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccc(O)cc2)CC1 ZINC000057945544 568869338 /nfs/dbraw/zinc/86/93/38/568869338.db2.gz PPEZWONUKKZIGQ-CYBMUJFWSA-N 0 0 404.854 3.103 50 5 HGBARN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000058021472 568878159 /nfs/dbraw/zinc/87/81/59/568878159.db2.gz SEGFMJFEWFCVLE-UHFFFAOYSA-N 0 0 403.870 3.192 50 5 HGBARN CNS(=O)(=O)c1cccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1 ZINC000003355598 568886677 /nfs/dbraw/zinc/88/66/77/568886677.db2.gz NVPUEERFCQTNIK-UHFFFAOYSA-N 0 0 423.446 3.211 50 5 HGBARN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000003442409 568904136 /nfs/dbraw/zinc/90/41/36/568904136.db2.gz PYRWRABXIOQXCE-UHFFFAOYSA-N 0 0 408.794 3.369 50 5 HGBARN Cc1sc(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000031136161 568915157 /nfs/dbraw/zinc/91/51/57/568915157.db2.gz ZRNKKKJWTKARTL-SNVBAGLBSA-N 0 0 400.420 3.008 50 5 HGBARN CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000058451812 568919743 /nfs/dbraw/zinc/91/97/43/568919743.db2.gz KMCPBHDVLVNDHY-UHFFFAOYSA-N 0 0 422.894 3.479 50 5 HGBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1)c1nccs1 ZINC000083923718 568926008 /nfs/dbraw/zinc/92/60/08/568926008.db2.gz VSUNBGGGIQGMCJ-UHFFFAOYSA-N 0 0 405.457 3.455 50 5 HGBARN Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@@H]2c1c[nH]nc1-c1cccc([N+](=O)[O-])c1 ZINC000001429552 568939860 /nfs/dbraw/zinc/93/98/60/568939860.db2.gz XLUIBBDMTUPYHP-OAHLLOKOSA-N 0 0 416.393 3.278 50 5 HGBARN CC(=O)c1cc(F)c(N2CCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])CC2)cc1C ZINC000015658680 568959191 /nfs/dbraw/zinc/95/91/91/568959191.db2.gz PWLPBBJHABMBEH-UHFFFAOYSA-N 0 0 421.375 3.486 50 5 HGBARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Nc3cccc(CO)c3)c([N+](=O)[O-])c2)C1 ZINC000007981456 568963674 /nfs/dbraw/zinc/96/36/74/568963674.db2.gz IGPYPLSLOMXWFY-HUUCEWRRSA-N 0 0 419.503 3.497 50 5 HGBARN COc1cc(C(=O)N(C)CC(=O)Nc2cccc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000012816025 568989778 /nfs/dbraw/zinc/98/97/78/568989778.db2.gz BEKCERJGJMRGKQ-UHFFFAOYSA-N 0 0 423.425 3.476 50 5 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CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)cc2OC)cc1[N+](=O)[O-] ZINC000001173750 571043182 /nfs/dbraw/zinc/04/31/82/571043182.db2.gz KQGQZEOBVDITSG-UHFFFAOYSA-N 0 0 405.432 3.138 50 5 HGBARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000008644643 571097707 /nfs/dbraw/zinc/09/77/07/571097707.db2.gz OIUMAZBETOQPPY-LJQANCHMSA-N 0 0 416.821 3.044 50 5 HGBARN COc1ccc(NC(=O)CNc2cccc(OC[C@H]3CCCO3)c2)c([N+](=O)[O-])c1 ZINC000040062839 571147774 /nfs/dbraw/zinc/14/77/74/571147774.db2.gz YPYQBUBRUGLZFQ-QGZVFWFLSA-N 0 0 401.419 3.212 50 5 HGBARN CCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000008921899 571158390 /nfs/dbraw/zinc/15/83/90/571158390.db2.gz QRPNZBCGIQVIHK-SFHVURJKSA-N 0 0 419.231 3.184 50 5 HGBARN Cc1cccc(C)c1OCCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000040113828 571171587 /nfs/dbraw/zinc/17/15/87/571171587.db2.gz WZEHBMCDEAKGFY-UHFFFAOYSA-N 0 0 413.430 3.095 50 5 HGBARN Cc1cc(C)n(Cc2cccc(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])c2)n1 ZINC000040139245 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O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000001150816 132239174 /nfs/dbraw/zinc/23/91/74/132239174.db2.gz UKVGOXDHDPQYJE-UHFFFAOYSA-N 0 0 415.393 3.125 50 5 HGBARN Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000002779376 132257744 /nfs/dbraw/zinc/25/77/44/132257744.db2.gz YZEYNICYRRMDQQ-UHFFFAOYSA-N 0 0 405.458 3.110 50 5 HGBARN COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCC4)c3)CC2)cc1 ZINC000004331634 132275634 /nfs/dbraw/zinc/27/56/34/132275634.db2.gz PMHQCZCBRFBTMN-UHFFFAOYSA-N 0 0 410.474 3.166 50 5 HGBARN COc1c(C)cccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 ZINC000004331724 132275696 /nfs/dbraw/zinc/27/56/96/132275696.db2.gz VQMLLQBLYVBEAG-UHFFFAOYSA-N 0 0 410.474 3.449 50 5 HGBARN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1 ZINC000004412862 132276677 /nfs/dbraw/zinc/27/66/77/132276677.db2.gz SNPPCSIYVHPCCW-UHFFFAOYSA-N 0 0 406.826 3.152 50 5 HGBARN CCOC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1N1CCOCC1 ZINC000004749034 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568912283 /nfs/dbraw/zinc/91/22/83/568912283.db2.gz RTYVFVNHLRFQNZ-JTQLQIEISA-N 0 0 405.794 3.391 50 5 HGBARN O=C(COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000001313698 568913730 /nfs/dbraw/zinc/91/37/30/568913730.db2.gz RQJVLWXWXREXNH-UHFFFAOYSA-N 0 0 409.148 3.305 50 5 HGBARN O=C1c2cc([N+](=O)[O-])c(N3CCOCC3)cc2C(=O)N1c1cccc2c1CCCC2 ZINC000004139579 568915469 /nfs/dbraw/zinc/91/54/69/568915469.db2.gz FJVOYJMACHGURK-UHFFFAOYSA-N 0 0 407.426 3.111 50 5 HGBARN CCc1ccc([C@@H](CNS(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)N(C)C)cc1 ZINC000083823625 568917582 /nfs/dbraw/zinc/91/75/82/568917582.db2.gz GQROZNKBWKFZQF-LJQANCHMSA-N 0 0 416.503 3.220 50 5 HGBARN Cc1cc(NC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)c([N+](=O)[O-])cc1C ZINC000015524328 568944851 /nfs/dbraw/zinc/94/48/51/568944851.db2.gz BNPOSSWDXSPZHW-UHFFFAOYSA-N 0 0 424.501 3.179 50 5 HGBARN O=C(NCc1cccnc1OC1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032249364 568951591 /nfs/dbraw/zinc/95/15/91/568951591.db2.gz 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CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1ccc([N+](=O)[O-])cc1 ZINC000015883703 569019476 /nfs/dbraw/zinc/01/94/76/569019476.db2.gz DNSYYIPOZLMUTF-UHFFFAOYSA-N 0 0 414.487 3.031 50 5 HGBARN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1cccc([N+](=O)[O-])c1 ZINC000015883711 569019507 /nfs/dbraw/zinc/01/95/07/569019507.db2.gz QXZWEVSKOIJMGW-UHFFFAOYSA-N 0 0 414.487 3.031 50 5 HGBARN Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000012907217 569021370 /nfs/dbraw/zinc/02/13/70/569021370.db2.gz VBXCHWSJHMEUAR-UHFFFAOYSA-N 0 0 417.487 3.008 50 5 HGBARN Cc1nc(CN2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cs1 ZINC000012913590 569022050 /nfs/dbraw/zinc/02/20/50/569022050.db2.gz AJVWQMBNTXFIKH-GFCCVEGCSA-N 0 0 423.926 3.158 50 5 HGBARN CCOc1ncccc1C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000016014861 569025598 /nfs/dbraw/zinc/02/55/98/569025598.db2.gz ZDLGXZWZFSXOEK-UHFFFAOYSA-N 0 0 411.418 3.489 50 5 HGBARN CC(C)CC[C@H](C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013005499 569049616 /nfs/dbraw/zinc/04/96/16/569049616.db2.gz QDZNFGAETVXLHP-YJBOKZPZSA-N 0 0 411.524 3.079 50 5 HGBARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C(=O)[C@]31C ZINC000001879542 569056865 /nfs/dbraw/zinc/05/68/65/569056865.db2.gz LOHVRMLRHFMMFP-NRFANRHFSA-N 0 0 424.388 3.464 50 5 biogenic HGBARN CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3Cl)C[C@H]12 ZINC000035870266 569063950 /nfs/dbraw/zinc/06/39/50/569063950.db2.gz VQGMFAXILYNZQM-OXQOHEQNSA-N 0 0 414.893 3.252 50 5 HGBARN COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)cc1 ZINC000035870854 569064051 /nfs/dbraw/zinc/06/40/51/569064051.db2.gz GUAIVUOXAKEWNY-RBBKRZOGSA-N 0 0 409.486 3.494 50 5 HGBARN CC(C)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@H]12 ZINC000035894654 569065176 /nfs/dbraw/zinc/06/51/76/569065176.db2.gz PFNOLOIJBFGCMC-TZIWHRDSSA-N 0 0 412.465 3.126 50 5 HGBARN CCOc1ccc(CNc2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])cc1OC ZINC000016692850 569070678 /nfs/dbraw/zinc/07/06/78/569070678.db2.gz OOJHEGGNFDJENH-UHFFFAOYSA-N 0 0 419.825 3.087 50 5 HGBARN Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3[N+](=O)[O-])C(=O)[C@@H]2C)cc1 ZINC000006640091 569078025 /nfs/dbraw/zinc/07/80/25/569078025.db2.gz MCRXSOHMTNNHFP-HNNXBMFYSA-N 0 0 410.430 3.316 50 5 HGBARN CCOC(=O)[C@H]1CCCN(C(=O)c2csc(COc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000036084625 569087551 /nfs/dbraw/zinc/08/75/51/569087551.db2.gz SHAAXPMGSJXXPZ-ZDUSSCGKSA-N 0 0 419.459 3.046 50 5 HGBARN CC(C)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc([N+](=O)[O-])cc1)C(=O)C1CCC1 ZINC000006773964 569118753 /nfs/dbraw/zinc/11/87/53/569118753.db2.gz DDQZKWIEMNFFGV-QFIPXVFZSA-N 0 0 424.501 3.365 50 5 HGBARN O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000006840693 569151479 /nfs/dbraw/zinc/15/14/79/569151479.db2.gz HGXVEOGLOGIQEU-KRWDZBQOSA-N 0 0 404.806 3.005 50 5 HGBARN Cc1cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(C)n1-c1nccs1 ZINC000006852143 569154599 /nfs/dbraw/zinc/15/45/99/569154599.db2.gz ZRCWZOMJVNWZND-UHFFFAOYSA-N 0 0 409.427 3.052 50 5 HGBARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007177664 569227457 /nfs/dbraw/zinc/22/74/57/569227457.db2.gz MHCVFGZVORYNIF-LLVKDONJSA-N 0 0 406.489 3.465 50 5 HGBARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NCCCOCC3CC3)c([N+](=O)[O-])c2)C1 ZINC000007366892 569235607 /nfs/dbraw/zinc/23/56/07/569235607.db2.gz FXBANSXAKVFPEN-HNNXBMFYSA-N 0 0 411.524 3.244 50 5 HGBARN Cc1csc([C@H]2CCCCN2C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000065591111 569236676 /nfs/dbraw/zinc/23/66/76/569236676.db2.gz IWFYQBYCZHTJJC-XJKSGUPXSA-N 0 0 402.476 3.232 50 5 HGBARN Cc1nn(CC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c(C)c1[N+](=O)[O-] ZINC000007407302 569236889 /nfs/dbraw/zinc/23/68/89/569236889.db2.gz TUKTXZOLMWJPEA-UHFFFAOYSA-N 0 0 409.450 3.032 50 5 HGBARN O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000089793780 569265251 /nfs/dbraw/zinc/26/52/51/569265251.db2.gz UXOVIDUXCGDUFE-UHFFFAOYSA-N 0 0 405.401 3.033 50 5 HGBARN O=C(Nc1nc2ccccc2s1)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O ZINC000017201237 569276575 /nfs/dbraw/zinc/27/65/75/569276575.db2.gz LKKJEQBSRQIMII-UHFFFAOYSA-N 0 0 422.422 3.247 50 5 HGBARN COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000002212505 569299465 /nfs/dbraw/zinc/29/94/65/569299465.db2.gz UAVUMEAJRHOCCM-UHFFFAOYSA-N 0 0 400.460 3.330 50 5 HGBARN CCCCn1c(=O)c2c(ncn2Cc2cccc([N+](=O)[O-])c2)n(-c2ccccc2)c1=O ZINC000037558965 569306714 /nfs/dbraw/zinc/30/67/14/569306714.db2.gz CRCBZTINQHGWBC-UHFFFAOYSA-N 0 0 419.441 3.106 50 5 HGBARN COc1ccc(NC(=O)Cc2nnc(SCc3ccccc3[N+](=O)[O-])n2C)cc1 ZINC000007871083 569314894 /nfs/dbraw/zinc/31/48/94/569314894.db2.gz HYBPMKIGTYCAPB-UHFFFAOYSA-N 0 0 413.459 3.205 50 5 HGBARN CCOc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000055054016 569380844 /nfs/dbraw/zinc/38/08/44/569380844.db2.gz HJIULPLNPYVPBY-UHFFFAOYSA-N 0 0 418.881 3.408 50 5 HGBARN CCc1nnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])n1-c1ccccc1 ZINC000009264991 569392097 /nfs/dbraw/zinc/39/20/97/569392097.db2.gz WFVLTBHFDNDPLL-UHFFFAOYSA-N 0 0 413.459 3.477 50 5 HGBARN CCc1csc(NC2CCN(S(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)n1 ZINC000225390100 569392701 /nfs/dbraw/zinc/39/27/01/569392701.db2.gz DLEOSVKCQHUQPE-UHFFFAOYSA-N 0 0 414.484 3.018 50 5 HGBARN CCOC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000012859356 569404158 /nfs/dbraw/zinc/40/41/58/569404158.db2.gz GEMJELUQSHBLML-OAHLLOKOSA-N 0 0 424.434 3.427 50 5 HGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012977666 569405706 /nfs/dbraw/zinc/40/57/06/569405706.db2.gz IRINFPNJBXLPOG-INIZCTEOSA-N 0 0 404.444 3.200 50 5 HGBARN COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000013137711 569409711 /nfs/dbraw/zinc/40/97/11/569409711.db2.gz JHLZPWHSWCQTCC-LLVKDONJSA-N 0 0 402.407 3.010 50 5 HGBARN COc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc23)c([N+](=O)[O-])c1 ZINC000013389640 569413242 /nfs/dbraw/zinc/41/32/42/569413242.db2.gz XVRZRBVEYBZVRS-UHFFFAOYSA-N 0 0 424.442 3.462 50 5 HGBARN O=[N+]([O-])c1ccc(OC/C=C2\Oc3ccc([N+](=O)[O-])cc3[C@H]2N2CCOCC2)cc1 ZINC000019770670 569429663 /nfs/dbraw/zinc/42/96/63/569429663.db2.gz OUFLODBNKFDTBL-NOLXPEPHSA-N 0 0 413.386 3.232 50 5 HGBARN CN(CCO)c1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+](=O)[O-] ZINC000008672153 571100459 /nfs/dbraw/zinc/10/04/59/571100459.db2.gz LQRYDNVTECZQPF-UHFFFAOYSA-N 0 0 403.445 3.320 50 5 HGBARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000008946258 571172074 /nfs/dbraw/zinc/17/20/74/571172074.db2.gz PIGJRXHNGDVLNY-OAQYLSRUSA-N 0 0 410.430 3.089 50 5 HGBARN C[C@H]1CN(c2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cn2)C[C@H](C)O1 ZINC000040142628 571193338 /nfs/dbraw/zinc/19/33/38/571193338.db2.gz ZTIRJNYVHBRZFY-GJZGRUSLSA-N 0 0 422.445 3.041 50 5 HGBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cc2c(cc1Br)OCO2 ZINC000009066107 571218056 /nfs/dbraw/zinc/21/80/56/571218056.db2.gz GFDBGDZTNFMZPO-ACAGNQJTSA-N 0 0 417.171 3.431 50 5 HGBARN COc1ccc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000009119370 571224839 /nfs/dbraw/zinc/22/48/39/571224839.db2.gz QBDROKSHODRPNS-UHFFFAOYSA-N 0 0 424.413 3.201 50 5 HGBARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@]31C ZINC000009328150 571248257 /nfs/dbraw/zinc/24/82/57/571248257.db2.gz SBEZFIPFTGBYJL-OAQYLSRUSA-N 0 0 406.398 3.325 50 5 HGBARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000009360889 571251573 /nfs/dbraw/zinc/25/15/73/571251573.db2.gz ZNOADRSMXVDYKA-NCYKPQTJSA-N 0 0 417.421 3.008 50 5 HGBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(OC(F)F)cc2)NC(=O)N1 ZINC000009453594 571260127 /nfs/dbraw/zinc/26/01/27/571260127.db2.gz MZHDHOHHTHHTRV-MRXNPFEDSA-N 0 0 418.356 3.463 50 5 HGBARN O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000009666144 571277985 /nfs/dbraw/zinc/27/79/85/571277985.db2.gz SEIDGWONJKPUSO-UHFFFAOYSA-N 0 0 412.276 3.138 50 5 HGBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009714975 571281557 /nfs/dbraw/zinc/28/15/57/571281557.db2.gz DYPQOSPCLWRSQW-UHFFFAOYSA-N 0 0 421.500 3.110 50 5 HGBARN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001312415 132243926 /nfs/dbraw/zinc/24/39/26/132243926.db2.gz VCAIJAVKRDVQRX-UHFFFAOYSA-N 0 0 420.425 3.403 50 5 HGBARN Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc2nc(C)nc(N3CCOCC3)c12 ZINC000002911520 132259357 /nfs/dbraw/zinc/25/93/57/132259357.db2.gz QZGCEXDVRGQAHI-UHFFFAOYSA-N 0 0 413.459 3.305 50 5 HGBARN CCOc1ccccc1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000005041637 132299227 /nfs/dbraw/zinc/29/92/27/132299227.db2.gz OYVWBCFLMLDGCZ-UHFFFAOYSA-N 0 0 400.435 3.356 50 5 HGBARN CCOC(=O)c1ccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000005041488 132299230 /nfs/dbraw/zinc/29/92/30/132299230.db2.gz KQXAKFRDMKXFEE-UHFFFAOYSA-N 0 0 414.487 3.291 50 5 HGBARN CC(=O)Nc1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1 ZINC000006073779 132309176 /nfs/dbraw/zinc/30/91/76/132309176.db2.gz WOLJWYFIZBAMIU-UHFFFAOYSA-N 0 0 420.337 3.415 50 5 HGBARN O=C(c1ccc2nc3ccccc3c(=O)n2c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000006918940 132320923 /nfs/dbraw/zinc/32/09/23/132320923.db2.gz QWDSBRUNVBFAFO-UHFFFAOYSA-N 0 0 418.884 3.464 50 5 HGBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCc2ccccc2C1 ZINC000008340910 132329759 /nfs/dbraw/zinc/32/97/59/132329759.db2.gz ZUYVJRQQXXKPKX-UHFFFAOYSA-N 0 0 423.469 3.327 50 5 HGBARN O=C(COc1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000008741133 132332820 /nfs/dbraw/zinc/33/28/20/132332820.db2.gz SNEILHQGIQKOIX-UHFFFAOYSA-N 0 0 420.263 3.085 50 5 HGBARN C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(-n2cncn2)cc1 ZINC000012528327 132361891 /nfs/dbraw/zinc/36/18/91/132361891.db2.gz ARPSRFBTLBOKFY-INIZCTEOSA-N 0 0 420.473 3.269 50 5 HGBARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000012528639 132362021 /nfs/dbraw/zinc/36/20/21/132362021.db2.gz HSMAJJIINYFYHF-UHFFFAOYSA-N 0 0 414.437 3.435 50 5 HGBARN C[C@H](NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 ZINC000013040292 132453024 /nfs/dbraw/zinc/45/30/24/132453024.db2.gz DUMOYNRQMGGHRC-HNNXBMFYSA-N 0 0 402.882 3.248 50 5 HGBARN CC1CCC(NS(=O)(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000018031111 132465823 /nfs/dbraw/zinc/46/58/23/132465823.db2.gz LTKFKBGNZIBVIC-IRHLINNNSA-N 0 0 411.524 3.065 50 5 HGBARN Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000025274652 132486251 /nfs/dbraw/zinc/48/62/51/132486251.db2.gz NAJJAOKNBIKRAG-UHFFFAOYSA-N 0 0 407.430 3.178 50 5 HGBARN C[C@H](OC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000027819204 132491855 /nfs/dbraw/zinc/49/18/55/132491855.db2.gz FPHGMMSGBJKJAC-AWEZNQCLSA-N 0 0 411.414 3.296 50 5 HGBARN CCn1cc(CN(Cc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000020602074 523369287 /nfs/dbraw/zinc/36/92/87/523369287.db2.gz JFYBZNJLJJWWCB-UHFFFAOYSA-N 0 0 400.460 3.202 50 5 HGBARN 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/nfs/dbraw/zinc/14/40/48/559144048.db2.gz QIEZCHPRAFRVNP-IBGZPJMESA-N 0 0 419.409 3.468 50 5 HGBARN COC(=O)[C@H](Cc1cccc([N+](=O)[O-])c1)Sc1nc2c3ccccc3ncn2n1 ZINC000014134884 559153136 /nfs/dbraw/zinc/15/31/36/559153136.db2.gz OSGNAEJMCXLDLJ-INIZCTEOSA-N 0 0 409.427 3.062 50 5 HGBARN Cc1ncc([N+](=O)[O-])n1CCC(=O)N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl ZINC000263616528 559165950 /nfs/dbraw/zinc/16/59/50/559165950.db2.gz JGLRKOAHBXAHCU-CQSZACIVSA-N 0 0 420.684 3.414 50 5 HGBARN COc1ccc(OC)c([C@H]2SCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000005101141 559245459 /nfs/dbraw/zinc/24/54/59/559245459.db2.gz CUEMXGOAWVLMDS-QGZVFWFLSA-N 0 0 410.473 3.048 50 5 HGBARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000005118640 559247433 /nfs/dbraw/zinc/24/74/33/559247433.db2.gz DGKJLJSYAJJUNT-UHFFFAOYSA-N 0 0 412.229 3.378 50 5 HGBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc3c(cc(F)cc3F)s2)CC1 ZINC000005182065 559289885 /nfs/dbraw/zinc/28/98/85/559289885.db2.gz QLPHYZXXCJDFHE-UHFFFAOYSA-N 0 0 404.398 3.445 50 5 HGBARN CCNC(=O)c1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 ZINC000079064788 560541540 /nfs/dbraw/zinc/54/15/40/560541540.db2.gz YSMVKIKVIMSIAC-UHFFFAOYSA-N 0 0 424.226 3.176 50 5 HGBARN CC(=O)CCC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000005652675 560637047 /nfs/dbraw/zinc/63/70/47/560637047.db2.gz FDXPTBQRONPUNG-UHFFFAOYSA-N 0 0 405.432 3.012 50 5 HGBARN CN(C[C@@H]1COc2ccccc2O1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000018004972 560735835 /nfs/dbraw/zinc/73/58/35/560735835.db2.gz ROJSXRYIQGFUKV-QGZVFWFLSA-N 0 0 411.458 3.110 50 5 HGBARN CC[C@H](C)n1c(=N)c(S(=O)(=O)c2ccccc2)cc2c1nc1ccc(C)cn1c2=O ZINC000100826803 560759321 /nfs/dbraw/zinc/75/93/21/560759321.db2.gz BHTYCAOUJRIUIW-HNNXBMFYSA-N 0 0 422.510 3.241 50 5 HGBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000100987456 560765450 /nfs/dbraw/zinc/76/54/50/560765450.db2.gz YHAIIFKULHAYLW-KDURUIRLSA-N 0 0 406.394 3.407 50 5 HGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000008833748 560771114 /nfs/dbraw/zinc/77/11/14/560771114.db2.gz MXCCNBVTNOJUHU-UHFFFAOYSA-N 0 0 418.212 3.309 50 5 HGBARN CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccccc2Cl)c1=N ZINC000101086568 560775300 /nfs/dbraw/zinc/77/53/00/560775300.db2.gz MLLSYRSVJNKGJY-UHFFFAOYSA-N 0 0 408.845 3.007 50 5 HGBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000101289269 560790418 /nfs/dbraw/zinc/79/04/18/560790418.db2.gz CRKAHVVRUAHYCR-QZTJIDSGSA-N 0 0 423.400 3.243 50 5 HGBARN Cc1ccc(C)c(N2CCN(c3ccc(N4C(=O)C[C@H](C)C4=O)cc3[N+](=O)[O-])CC2)c1 ZINC000102785338 560827635 /nfs/dbraw/zinc/82/76/35/560827635.db2.gz SHSRLZDANDCSFD-KRWDZBQOSA-N 0 0 422.485 3.438 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1N[C@@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000102992972 560836608 /nfs/dbraw/zinc/83/66/08/560836608.db2.gz ODCSYSVNAZTDAB-CYBMUJFWSA-N 0 0 409.320 3.366 50 5 HGBARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)[C@H]1C 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Cc1cc(OC(=O)c2nn(-c3ccccc3)nc2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000001044539 568764664 /nfs/dbraw/zinc/76/46/64/568764664.db2.gz JPDPHXHACVVPEP-UHFFFAOYSA-N 0 0 404.386 3.197 50 5 HGBARN O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000001128296 568771179 /nfs/dbraw/zinc/77/11/79/568771179.db2.gz NADWIAYODRTLEL-UHFFFAOYSA-N 0 0 411.439 3.326 50 5 HGBARN CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001142988 568772286 /nfs/dbraw/zinc/77/22/86/568772286.db2.gz QVBNCLCRLRLGSP-UHFFFAOYSA-N 0 0 418.258 3.161 50 5 HGBARN COc1ccc(C(=O)N[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC ZINC000001129304 568772912 /nfs/dbraw/zinc/77/29/12/568772912.db2.gz WIIQGDURTPJTFF-IBGZPJMESA-N 0 0 416.430 3.110 50 5 HGBARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000001138120 568773557 /nfs/dbraw/zinc/77/35/57/568773557.db2.gz GQPPNIXWZYGFGM-KPKJPENVSA-N 0 0 403.460 3.324 50 5 HGBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000027959647 568774483 /nfs/dbraw/zinc/77/44/83/568774483.db2.gz UOTKMXJUYPNSLU-LJQANCHMSA-N 0 0 406.460 3.350 50 5 HGBARN Cc1cccc(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)CC2)c1C ZINC000002707874 568801775 /nfs/dbraw/zinc/80/17/75/568801775.db2.gz RIBDSJAFJZBKRA-UHFFFAOYSA-N 0 0 407.426 3.280 50 5 HGBARN COc1nn(Cc2nc3c4c(ncn3n2)sc(C)c4-c2ccccc2)cc1[N+](=O)[O-] ZINC000002791943 568809449 /nfs/dbraw/zinc/80/94/49/568809449.db2.gz XJISRVHMWBCTJI-UHFFFAOYSA-N 0 0 421.442 3.476 50 5 HGBARN Cc1ccc(OCc2ccc(-c3nc4c5cnn(C)c5ncn4n3)o2)c([N+](=O)[O-])c1 ZINC000002801266 568811209 /nfs/dbraw/zinc/81/12/09/568811209.db2.gz OWVJELXGKLHANX-UHFFFAOYSA-N 0 0 405.374 3.067 50 5 HGBARN Cc1ccc(CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000002832535 568812457 /nfs/dbraw/zinc/81/24/57/568812457.db2.gz SPKGSKIIRMMFFA-UHFFFAOYSA-N 0 0 417.468 3.374 50 5 HGBARN CCCCNS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000002829083 568812526 /nfs/dbraw/zinc/81/25/26/568812526.db2.gz WNBVJJFRZYLTER-KPKJPENVSA-N 0 0 403.460 3.325 50 5 HGBARN O=c1c(-c2ccccc2Cl)[n+]([O-])c2ccccc2n1OCc1ccc([N+](=O)[O-])cc1 ZINC000002864177 568813492 /nfs/dbraw/zinc/81/34/92/568813492.db2.gz YQVZLFYMLPBEAL-UHFFFAOYSA-N 0 0 423.812 3.492 50 5 HGBARN C[C@@]12CCC(=O)N1[C@H](C(=O)OCc1cc(=O)oc3ccc4ccccc4c13)CS2 ZINC000005876497 568827554 /nfs/dbraw/zinc/82/75/54/568827554.db2.gz ASZKUMAYWMBWQH-KSFYIVLOSA-N 0 0 409.463 3.443 50 5 HGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@@H]1CCCc2ccccc21 ZINC000005893846 568828417 /nfs/dbraw/zinc/82/84/17/568828417.db2.gz FXRWZHVJAPSSCB-GOSISDBHSA-N 0 0 417.487 3.105 50 5 HGBARN CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000002983677 568833006 /nfs/dbraw/zinc/83/30/06/568833006.db2.gz YZNFGOLEUGMDTA-UHFFFAOYSA-N 0 0 417.443 3.297 50 5 HGBARN COc1ccc2c(c1)oc1nc(C)n(CCc3ccc(OC)c(OC)c3)c(=O)c1c2=O ZINC000002134848 568844882 /nfs/dbraw/zinc/84/48/82/568844882.db2.gz TVKBIDNURLNLSE-UHFFFAOYSA-N 0 0 422.437 3.080 50 5 biogenic HGBARN CS(=O)(=O)Nc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000012536185 568845430 /nfs/dbraw/zinc/84/54/30/568845430.db2.gz NZWKKFCDUJAPDJ-UHFFFAOYSA-N 0 0 421.478 3.165 50 5 HGBARN CSCC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000012547492 568851489 /nfs/dbraw/zinc/85/14/89/568851489.db2.gz FDBVFLNSZMVRJF-OAHLLOKOSA-N 0 0 400.460 3.461 50 5 HGBARN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057561354 568853911 /nfs/dbraw/zinc/85/39/11/568853911.db2.gz QQOZTRPMWFKNCP-OAHLLOKOSA-N 0 0 423.448 3.431 50 5 HGBARN O=C(CC(c1ccccc1)c1ccccc1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000003257126 568868488 /nfs/dbraw/zinc/86/84/88/568868488.db2.gz FFTBGPXVRJDKQD-VWNXMTODSA-N 0 0 420.465 3.328 50 5 HGBARN O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000015348621 568877444 /nfs/dbraw/zinc/87/74/44/568877444.db2.gz OQZPSAFLEXRPMJ-UHFFFAOYSA-N 0 0 423.878 3.288 50 5 HGBARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000058160671 568892674 /nfs/dbraw/zinc/89/26/74/568892674.db2.gz URZQLTXIKPIYFW-CQSZACIVSA-N 0 0 418.881 3.406 50 5 HGBARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003427967 568901032 /nfs/dbraw/zinc/90/10/32/568901032.db2.gz ADSFVRFREZLWOJ-UHFFFAOYSA-N 0 0 423.454 3.102 50 5 HGBARN COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000003498283 568909765 /nfs/dbraw/zinc/90/97/65/568909765.db2.gz DOKVPIOYUXTHGE-SNVBAGLBSA-N 0 0 408.794 3.449 50 5 HGBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(SC(F)F)cc1 ZINC000003525944 568912476 /nfs/dbraw/zinc/91/24/76/568912476.db2.gz BIVFMBJXHGMEQJ-UHFFFAOYSA-N 0 0 407.354 3.144 50 5 HGBARN Cc1nc(SCC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C(N)=O)c(C)c1C ZINC000025835826 568922927 /nfs/dbraw/zinc/92/29/27/568922927.db2.gz ZJHJDKFJUYISNU-AWEZNQCLSA-N 0 0 416.503 3.326 50 5 HGBARN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@H]1c1nnc2ccccn21 ZINC000031503475 568927112 /nfs/dbraw/zinc/92/71/12/568927112.db2.gz BXOQHMYNNKSDKU-IBGZPJMESA-N 0 0 420.473 3.218 50 5 HGBARN Cc1cccc(C)c1OC[C@@H](O)Cn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000012752744 568941615 /nfs/dbraw/zinc/94/16/15/568941615.db2.gz OFJMIUSHAMJHJG-ZDUSSCGKSA-N 0 0 403.822 3.015 50 5 HGBARN O=C(NN1C(=O)c2ccccc2N[C@@H]1c1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000001434645 568942173 /nfs/dbraw/zinc/94/21/73/568942173.db2.gz VHRVTBLOTQPAHU-IBGZPJMESA-N 0 0 404.382 3.212 50 5 HGBARN Cn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004106564 568943225 /nfs/dbraw/zinc/94/32/25/568943225.db2.gz GGVVXSRJOCYUFW-UHFFFAOYSA-N 0 0 409.427 3.054 50 5 HGBARN CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004139431 568946219 /nfs/dbraw/zinc/94/62/19/568946219.db2.gz SLVIKNGUZXJAES-HNAYVOBHSA-N 0 0 402.520 3.153 50 5 HGBARN COc1ccc2cc(CCNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c(=O)[nH]c2c1 ZINC000004225188 568952700 /nfs/dbraw/zinc/95/27/00/568952700.db2.gz FDRHZRRUJLDSAY-UHFFFAOYSA-N 0 0 401.806 3.071 50 5 HGBARN COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Cn1cccn1 ZINC000084647820 568954655 /nfs/dbraw/zinc/95/46/55/568954655.db2.gz LPEUZESGOLHAIF-AWEZNQCLSA-N 0 0 410.430 3.348 50 5 HGBARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001449299 568968835 /nfs/dbraw/zinc/96/88/35/568968835.db2.gz PVGFAMHQHVOWIM-UHFFFAOYSA-N 0 0 412.398 3.436 50 5 HGBARN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008398338 568998116 /nfs/dbraw/zinc/99/81/16/568998116.db2.gz SUXVUHFSCDKTPS-UHFFFAOYSA-N 0 0 423.297 3.188 50 5 HGBARN CCCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c1nc1c(C)cccn1c2=O ZINC000100677071 569009780 /nfs/dbraw/zinc/00/97/80/569009780.db2.gz UADWTOILLFGYNM-UHFFFAOYSA-N 0 0 407.518 3.300 50 5 HGBARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)nn1 ZINC000015880844 569018059 /nfs/dbraw/zinc/01/80/59/569018059.db2.gz JGWMAUGXWLBLBK-UHFFFAOYSA-N 0 0 412.427 3.098 50 5 HGBARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012893289 569020140 /nfs/dbraw/zinc/02/01/40/569020140.db2.gz VEHVBVQJGRGZNZ-KRWDZBQOSA-N 0 0 423.878 3.430 50 5 HGBARN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc2c(c1)OCO2 ZINC000016361445 569032269 /nfs/dbraw/zinc/03/22/69/569032269.db2.gz SBVHCIICKTVMGU-UHFFFAOYSA-N 0 0 424.232 3.213 50 5 HGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 ZINC000090485792 569040200 /nfs/dbraw/zinc/04/02/00/569040200.db2.gz BJCVZRUYUVDRKU-UHFFFAOYSA-N 0 0 404.430 3.091 50 5 HGBARN CCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O ZINC000001898336 569057230 /nfs/dbraw/zinc/05/72/30/569057230.db2.gz REMYJTVERZBCDJ-UGKGYDQZSA-N 0 0 418.453 3.171 50 5 biogenic HGBARN COc1ccc2cc(CN(C)C(=O)Cn3cc(Cl)cc([N+](=O)[O-])c3=O)ccc2c1 ZINC000089360966 569058741 /nfs/dbraw/zinc/05/87/41/569058741.db2.gz UTHOALKLSNNPFM-UHFFFAOYSA-N 0 0 415.833 3.230 50 5 HGBARN COc1ccc(OC)c(CN(C2CC2)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000089432607 569060376 /nfs/dbraw/zinc/06/03/76/569060376.db2.gz PCJUQZWJUVOWFM-UHFFFAOYSA-N 0 0 406.460 3.106 50 5 HGBARN CC[C@H](C)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@H]12 ZINC000035870306 569063917 /nfs/dbraw/zinc/06/39/17/569063917.db2.gz NFBQNSFUTAEIBO-SAWYMBPVSA-N 0 0 408.502 3.377 50 5 HGBARN CC[C@H](C)NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@H]12 ZINC000035870308 569063985 /nfs/dbraw/zinc/06/39/85/569063985.db2.gz NFBQNSFUTAEIBO-XUEUYAKLSA-N 0 0 408.502 3.377 50 5 HGBARN Cc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@H](C(=O)N4CCCC4)[C@@H]3C2)cc1 ZINC000035894898 569064826 /nfs/dbraw/zinc/06/48/26/569064826.db2.gz REPHKUQORLBOFO-GMAHTHKFSA-N 0 0 420.513 3.393 50 5 HGBARN CN(CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccco1)C(=O)C1CCC1 ZINC000035945920 569067183 /nfs/dbraw/zinc/06/71/83/569067183.db2.gz FWLHFBUEWOYICP-SFHVURJKSA-N 0 0 410.430 3.124 50 5 HGBARN Cc1c(O[C@H](C)C(=O)NCCCN2CCCC2=O)ccc2c3ccccc3c(=O)oc12 ZINC000006660212 569084172 /nfs/dbraw/zinc/08/41/72/569084172.db2.gz AIEQUPUSBZVQEW-MRXNPFEDSA-N 0 0 422.481 3.151 50 5 HGBARN CCC[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000006662523 569085583 /nfs/dbraw/zinc/08/55/83/569085583.db2.gz KBDAAPOHDXDAGM-IBGZPJMESA-N 0 0 412.398 3.016 50 5 HGBARN CN(C)C(=O)[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC000006847343 569153910 /nfs/dbraw/zinc/15/39/10/569153910.db2.gz VEKNVALHVZSWQX-OAHLLOKOSA-N 0 0 407.220 3.344 50 5 HGBARN O=C(Nc1nc(-c2ccccn2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000007168168 569227063 /nfs/dbraw/zinc/22/70/63/569227063.db2.gz IHYOHHNEDCSVHE-UHFFFAOYSA-N 0 0 411.443 3.202 50 5 HGBARN Cc1sc(NC(=O)C2CC2)c(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000007282897 569231972 /nfs/dbraw/zinc/23/19/72/569231972.db2.gz MOKIAZFROZKOFU-UHFFFAOYSA-N 0 0 417.443 3.417 50 5 HGBARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000007309540 569233115 /nfs/dbraw/zinc/23/31/15/569233115.db2.gz KZFDYNACBGCPPV-INIZCTEOSA-N 0 0 404.444 3.200 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCC(=O)c1ccccc1 ZINC000007395894 569236457 /nfs/dbraw/zinc/23/64/57/569236457.db2.gz CQIYXHFRDHDUID-CYBMUJFWSA-N 0 0 400.387 3.137 50 5 HGBARN Cc1cc(C)cc(OCC(=O)N2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)c1 ZINC000170607497 569244684 /nfs/dbraw/zinc/24/46/84/569244684.db2.gz JHPMJXVKMGXWIK-UHFFFAOYSA-N 0 0 401.438 3.074 50 5 HGBARN O=C(Nc1ccnc(CO)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000089768311 569263636 /nfs/dbraw/zinc/26/36/36/569263636.db2.gz MPHTZWAJNRBGOF-UHFFFAOYSA-N 0 0 424.379 3.356 50 5 HGBARN CNC(=O)c1ccc(Oc2ccc(S(=O)(=O)NCCC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000089821162 569266563 /nfs/dbraw/zinc/26/65/63/569266563.db2.gz BKPSKNKTJNQUOD-UHFFFAOYSA-N 0 0 421.475 3.071 50 5 HGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000170636552 569279332 /nfs/dbraw/zinc/27/93/32/569279332.db2.gz URFSBCITBVAQPE-SFTDATJTSA-N 0 0 423.469 3.047 50 5 HGBARN CCCN1CC(=O)N2[C@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002150684 569290047 /nfs/dbraw/zinc/29/00/47/569290047.db2.gz GBYIFYCKCWCRLP-SIKLNZKXSA-N 0 0 418.453 3.171 50 5 biogenic HGBARN CCCn1c(=O)c2c(ncn2Cc2cccc([N+](=O)[O-])c2)n(-c2ccc(C)cc2)c1=O ZINC000037559266 569306672 /nfs/dbraw/zinc/30/66/72/569306672.db2.gz LQAPRLIXROGKCR-UHFFFAOYSA-N 0 0 419.441 3.024 50 5 HGBARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000007810932 569312360 /nfs/dbraw/zinc/31/23/60/569312360.db2.gz UDGDPEPWNOZABQ-UHFFFAOYSA-N 0 0 407.430 3.068 50 5 HGBARN COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000007813595 569312372 /nfs/dbraw/zinc/31/23/72/569312372.db2.gz DQNOROMQHHGMKD-GJZGRUSLSA-N 0 0 400.431 3.286 50 5 HGBARN COCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(OC)cc2)c1=O ZINC000002300254 569372104 /nfs/dbraw/zinc/37/21/04/569372104.db2.gz SXXUEJLMKVMCPO-UHFFFAOYSA-N 0 0 415.453 3.247 50 5 HGBARN COC[C@H](C)OC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 ZINC000002323334 569375280 /nfs/dbraw/zinc/37/52/80/569375280.db2.gz KOYFFRBXJPIQAF-LBPRGKRZSA-N 0 0 402.410 3.481 50 5 HGBARN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000012285043 569399992 /nfs/dbraw/zinc/39/99/92/569399992.db2.gz ITXYIXPTXSUDIU-UHFFFAOYSA-N 0 0 404.342 3.489 50 5 HGBARN CC(C)[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000007942966 569402186 /nfs/dbraw/zinc/40/21/86/569402186.db2.gz ISKUPWZUDWVCRT-IBGZPJMESA-N 0 0 409.446 3.105 50 5 HGBARN O=C(Nc1cccc([N+](=O)[O-])c1)C12C[C@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 ZINC000012648980 569402325 /nfs/dbraw/zinc/40/23/25/569402325.db2.gz GEISVKREEAULSR-NFAYLAGKSA-N 0 0 412.406 3.029 50 5 HGBARN O=C(Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000012960966 569405477 /nfs/dbraw/zinc/40/54/77/569405477.db2.gz HDOTXQMXLPACCV-UHFFFAOYSA-N 0 0 422.422 3.142 50 5 HGBARN O=C(/C=C/c1ccc(Br)o1)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000013041754 569407756 /nfs/dbraw/zinc/40/77/56/569407756.db2.gz LHEIPDXWLURMHY-ZZXKWVIFSA-N 0 0 413.155 3.285 50 5 HGBARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])s2)N3)C1 ZINC000008722316 571107268 /nfs/dbraw/zinc/10/72/68/571107268.db2.gz TYTZJMJRGOMILW-ZDUSSCGKSA-N 0 0 408.461 3.087 50 5 HGBARN COc1cccc(N2C[C@@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)CC2=O)c1 ZINC000040058954 571146313 /nfs/dbraw/zinc/14/63/13/571146313.db2.gz BXFPCXDUUKZZFT-AWEZNQCLSA-N 0 0 417.849 3.268 50 5 HGBARN CCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000008921792 571158378 /nfs/dbraw/zinc/15/83/78/571158378.db2.gz QRCJEUNDEVGBGZ-SFHVURJKSA-N 0 0 419.231 3.184 50 5 HGBARN C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cn2)C[C@H](C)O1 ZINC000040142627 571193272 /nfs/dbraw/zinc/19/32/72/571193272.db2.gz ZTIRJNYVHBRZFY-GASCZTMLSA-N 0 0 422.445 3.041 50 5 HGBARN Nc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1[N+](=O)[O-] ZINC000009157582 571232139 /nfs/dbraw/zinc/23/21/39/571232139.db2.gz SBSRMGMZLPVLNU-UHFFFAOYSA-N 0 0 413.386 3.014 50 5 HGBARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1 ZINC000009254209 571243082 /nfs/dbraw/zinc/24/30/82/571243082.db2.gz KMEZILLDLQBLQB-UHFFFAOYSA-N 0 0 424.434 3.482 50 5 HGBARN CN1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C(N)=O)C1 ZINC000009390614 571254477 /nfs/dbraw/zinc/25/44/77/571254477.db2.gz NLGFKBWYRHUJEF-UHFFFAOYSA-N 0 0 416.484 3.210 50 5 HGBARN C[C@@H]1CCc2sc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(C(N)=O)c2C1 ZINC000009446328 571259593 /nfs/dbraw/zinc/25/95/93/571259593.db2.gz SQBNSTJPULIBGK-MRVPVSSYSA-N 0 0 404.404 3.041 50 5 HGBARN COC[C@@H](C)NS(=O)(=O)c1ccc(Nc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 ZINC000009469069 571261417 /nfs/dbraw/zinc/26/14/17/571261417.db2.gz IHTBDAWEHKNDMP-CYBMUJFWSA-N 0 0 405.476 3.140 50 5 HGBARN 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O=C(COCc1nc2ccccc2s1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048250504 568434147 /nfs/dbraw/zinc/43/41/47/568434147.db2.gz ZMLXVKIZGLHFBH-UHFFFAOYSA-N 0 0 412.471 3.070 50 5 HGBARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000000662974 568460159 /nfs/dbraw/zinc/46/01/59/568460159.db2.gz NJBGOMYMJXCUOM-KRWDZBQOSA-N 0 0 401.375 3.054 50 5 HGBARN CCC(C)(C)NC(=O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000024811969 568465973 /nfs/dbraw/zinc/46/59/73/568465973.db2.gz XKFHWCCDSUQLHV-UHFFFAOYSA-N 0 0 402.417 3.040 50 5 HGBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000000828336 568497934 /nfs/dbraw/zinc/49/79/34/568497934.db2.gz LQNCJEJMUDQJQJ-LLVKDONJSA-N 0 0 404.220 3.349 50 5 HGBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000000826482 568497945 /nfs/dbraw/zinc/49/79/45/568497945.db2.gz YHYSAFZSRDSUMB-UHFFFAOYSA-N 0 0 423.145 3.400 50 5 HGBARN COc1ccc(Cl)cc1NC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000000848429 568553280 /nfs/dbraw/zinc/55/32/80/568553280.db2.gz QFZYXWKRJZSXSB-UHFFFAOYSA-N 0 0 403.620 3.163 50 5 HGBARN CCOc1ccc(C2=CC(=O)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O2)cc1 ZINC000020036867 568586759 /nfs/dbraw/zinc/58/67/59/568586759.db2.gz LMXKYDADBZPNOL-LBPRGKRZSA-N 0 0 414.374 3.475 50 5 HGBARN CCOC(=O)c1ccnc(N2CCN([C@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000095456935 568618062 /nfs/dbraw/zinc/61/80/62/568618062.db2.gz TXCADFWKLRURFM-CQSZACIVSA-N 0 0 402.426 3.189 50 5 HGBARN O=C(Oc1ccccc1)c1ccccc1OC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 ZINC000095481783 568634066 /nfs/dbraw/zinc/63/40/66/568634066.db2.gz LUVOPIICRUWWBW-UHFFFAOYSA-N 0 0 424.390 3.342 50 5 HGBARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)S1 ZINC000020896018 568649063 /nfs/dbraw/zinc/64/90/63/568649063.db2.gz MBVKIPWAIFJGEZ-SFHVURJKSA-N 0 0 414.443 3.175 50 5 HGBARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S1 ZINC000020896021 568649162 /nfs/dbraw/zinc/64/91/62/568649162.db2.gz YJYUTAHGKDRSPW-GOSISDBHSA-N 0 0 414.443 3.175 50 5 HGBARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000021336925 568687438 /nfs/dbraw/zinc/68/74/38/568687438.db2.gz FDWCZDOFPJRTKB-QGZVFWFLSA-N 0 0 411.458 3.472 50 5 HGBARN Cc1ncc([N+](=O)[O-])n1CCO[C@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000000844856 568710151 /nfs/dbraw/zinc/71/01/51/568710151.db2.gz IFBWEKPJYMXQBC-AWEZNQCLSA-N 0 0 421.668 3.243 50 5 HGBARN Cc1ncc([N+](=O)[O-])n1CCO[C@@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000000844857 568710203 /nfs/dbraw/zinc/71/02/03/568710203.db2.gz IFBWEKPJYMXQBC-CQSZACIVSA-N 0 0 421.668 3.243 50 5 HGBARN O=C(COC(=O)c1ccco1)c1ccc(-n2nncc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000845557 568710360 /nfs/dbraw/zinc/71/03/60/568710360.db2.gz AEJBOWDWYFMMAX-UHFFFAOYSA-N 0 0 418.365 3.475 50 5 HGBARN Cc1ccc(C)c(OC[C@H](O)Cn2cnc3cc(Cl)c([N+](=O)[O-])cc3c2=O)c1C ZINC000024991276 568711429 /nfs/dbraw/zinc/71/14/29/568711429.db2.gz IGTDGOPOETYFHU-CQSZACIVSA-N 0 0 417.849 3.323 50 5 HGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000034676395 568725760 /nfs/dbraw/zinc/72/57/60/568725760.db2.gz YEJZPTQMJHIYDI-LJQANCHMSA-N 0 0 412.465 3.161 50 5 HGBARN CC(=O)N1CCN(c2nc(CC(C)C)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096317224 568726298 /nfs/dbraw/zinc/72/62/98/568726298.db2.gz UOVKRKIPTKRDOH-UHFFFAOYSA-N 0 0 411.506 3.151 50 5 HGBARN COC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(OC)c(OC)cc12 ZINC000005796008 568734242 /nfs/dbraw/zinc/73/42/42/568734242.db2.gz JUHHCIZFSUWIEH-UHFFFAOYSA-N 0 0 404.382 3.093 50 5 HGBARN CC[C@@]1(C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1(C(=O)OC)C(=O)OC ZINC000000878831 568734466 /nfs/dbraw/zinc/73/44/66/568734466.db2.gz IZPUYYLMWMIFCM-UWJYYQICSA-N 0 0 411.410 3.304 50 5 HGBARN CC[C@]1(C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1(C(=O)OC)C(=O)OC ZINC000000878828 568734506 /nfs/dbraw/zinc/73/45/06/568734506.db2.gz IZPUYYLMWMIFCM-DYESRHJHSA-N 0 0 411.410 3.304 50 5 HGBARN Cc1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1C[C@H]1CCCO1 ZINC000000887430 568736814 /nfs/dbraw/zinc/73/68/14/568736814.db2.gz AIZVJGAHMFGIRU-SWLSCSKDSA-N 0 0 405.480 3.101 50 5 HGBARN O=C(CC1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018992315 568745139 /nfs/dbraw/zinc/74/51/39/568745139.db2.gz RXFNYZZKCNJYKA-INIZCTEOSA-N 0 0 423.406 3.119 50 5 HGBARN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000025114346 568749918 /nfs/dbraw/zinc/74/99/18/568749918.db2.gz YBIVDCZOXOISAZ-UHFFFAOYSA-N 0 0 416.411 3.023 50 5 HGBARN CSc1ccc(C(=O)OCC(=O)Nc2cccc3nsnc32)cc1[N+](=O)[O-] ZINC000019078403 568751561 /nfs/dbraw/zinc/75/15/61/568751561.db2.gz OAABVDYSAAEPFK-UHFFFAOYSA-N 0 0 404.429 3.117 50 5 HGBARN CCOC(=O)c1c(CN2CCOCC2)sc2c3cc(OC)cc([N+](=O)[O-])c3[nH]c21 ZINC000096576573 568761452 /nfs/dbraw/zinc/76/14/52/568761452.db2.gz RKCGIJFOGAAZHX-UHFFFAOYSA-N 0 0 419.459 3.308 50 5 HGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000001073044 568765295 /nfs/dbraw/zinc/76/52/95/568765295.db2.gz VLIJOKWJCRVZGF-AWEZNQCLSA-N 0 0 421.450 3.082 50 5 HGBARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000001058822 568765816 /nfs/dbraw/zinc/76/58/16/568765816.db2.gz NMSHAVNWUQUBMP-UHFFFAOYSA-N 0 0 418.471 3.047 50 5 HGBARN COc1ccc(C(=O)N[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC ZINC000001129305 568772864 /nfs/dbraw/zinc/77/28/64/568772864.db2.gz WIIQGDURTPJTFF-LJQANCHMSA-N 0 0 416.430 3.110 50 5 HGBARN COc1ccc(-c2nc(CCNC(=O)COc3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000027993591 568775790 /nfs/dbraw/zinc/77/57/90/568775790.db2.gz URGJRLMSVFYSEO-UHFFFAOYSA-N 0 0 413.455 3.465 50 5 HGBARN O=C(CN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F ZINC000001166399 568775942 /nfs/dbraw/zinc/77/59/42/568775942.db2.gz VZOKRDOPYRRZEH-DHDCSXOGSA-N 0 0 401.375 3.409 50 5 HGBARN O=C(NCCNc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)c2ccco2)c1 ZINC000028408767 568785006 /nfs/dbraw/zinc/78/50/06/568785006.db2.gz GHPYKCCWJVXOHB-UHFFFAOYSA-N 0 0 423.429 3.351 50 5 HGBARN O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC(c1ccccc1)c1ccccc1 ZINC000002617239 568786013 /nfs/dbraw/zinc/78/60/13/568786013.db2.gz NSXGWPHJVDEZDJ-UHFFFAOYSA-N 0 0 414.421 3.211 50 5 aggregator HGBARN CC(C)C(=O)N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000002682793 568800647 /nfs/dbraw/zinc/80/06/47/568800647.db2.gz IFWUVYVUKGETIM-NSHDSACASA-N 0 0 413.714 3.350 50 5 HGBARN COc1nn([C@@H](C)c2nc3c4c5c(sc4ncn3n2)C[C@@H](C)CC5)cc1[N+](=O)[O-] ZINC000002788904 568808481 /nfs/dbraw/zinc/80/84/81/568808481.db2.gz FUWGAJWLNYVFKO-UWVGGRQHSA-N 0 0 413.463 3.186 50 5 HGBARN Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000002794347 568809386 /nfs/dbraw/zinc/80/93/86/568809386.db2.gz XLDMPRBXMQPERM-AWEZNQCLSA-N 0 0 408.414 3.368 50 5 HGBARN CCCCNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000002830041 568812545 /nfs/dbraw/zinc/81/25/45/568812545.db2.gz JPZAORVRXLIMHR-MDWZMJQESA-N 0 0 403.460 3.325 50 5 HGBARN O=c1c(-c2cccc(Cl)c2)[n+]([O-])c2ccccc2n1OCc1ccccc1[N+](=O)[O-] ZINC000002864179 568813560 /nfs/dbraw/zinc/81/35/60/568813560.db2.gz USRYGRYPGWLTQB-UHFFFAOYSA-N 0 0 423.812 3.492 50 5 HGBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000029285094 568824042 /nfs/dbraw/zinc/82/40/42/568824042.db2.gz RANUMKFTDPJOQC-UHFFFAOYSA-N 0 0 409.364 3.451 50 5 HGBARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000002997482 568836122 /nfs/dbraw/zinc/83/61/22/568836122.db2.gz CUDLNHUPHPANHK-UHFFFAOYSA-N 0 0 422.415 3.189 50 5 HGBARN CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc21 ZINC000001220353 568838334 /nfs/dbraw/zinc/83/83/34/568838334.db2.gz CNSLCNXPZPHUEX-UHFFFAOYSA-N 0 0 421.409 3.404 50 5 HGBARN CCN(C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1)c1ccccc1 ZINC000057466847 568838545 /nfs/dbraw/zinc/83/85/45/568838545.db2.gz CHLTYXBWSAWFQY-UHFFFAOYSA-N 0 0 419.485 3.318 50 5 HGBARN COc1cc(OC)cc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2nccn2C)c1 ZINC000012507645 568839671 /nfs/dbraw/zinc/83/96/71/568839671.db2.gz JPLNCLBWJRMXDW-GOSISDBHSA-N 0 0 411.418 3.257 50 5 HGBARN COc1ccccc1NC(=O)c1ccc(SCC(=O)NC(C)C)c([N+](=O)[O-])c1 ZINC000003020900 568840156 /nfs/dbraw/zinc/84/01/56/568840156.db2.gz PTMXFQRABRMBKB-UHFFFAOYSA-N 0 0 403.460 3.472 50 5 HGBARN CC1CCC(NS(=O)(=O)c2ccc(N3CCO[C@@H]4CCC[C@H]43)c([N+](=O)[O-])c2)CC1 ZINC000230168057 568853704 /nfs/dbraw/zinc/85/37/04/568853704.db2.gz LJUJKJKVFZEDCW-XUGKHLCVSA-N 0 0 423.535 3.210 50 5 HGBARN O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)OCc1nc2ccccc2s1 ZINC000003325560 568854613 /nfs/dbraw/zinc/85/46/13/568854613.db2.gz CEURKWUJPFFZLT-UHFFFAOYSA-N 0 0 405.819 3.331 50 5 HGBARN O=C(NCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000003132842 568857493 /nfs/dbraw/zinc/85/74/93/568857493.db2.gz QXKAOJNCZYJSHL-UHFFFAOYSA-N 0 0 401.375 3.260 50 5 HGBARN O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000003257123 568868522 /nfs/dbraw/zinc/86/85/22/568868522.db2.gz FFTBGPXVRJDKQD-UPVQGACJSA-N 0 0 420.465 3.328 50 5 HGBARN Cc1nn(CC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c(C)c1[N+](=O)[O-] ZINC000003303279 568877155 /nfs/dbraw/zinc/87/71/55/568877155.db2.gz KMXBHXKEMZJEDP-UHFFFAOYSA-N 0 0 405.410 3.405 50 5 HGBARN CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004036019 568879556 /nfs/dbraw/zinc/87/95/56/568879556.db2.gz FPCUGYRNDHBOIE-GOSISDBHSA-N 0 0 416.459 3.054 50 5 HGBARN COc1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000003442365 568904081 /nfs/dbraw/zinc/90/40/81/568904081.db2.gz XBZZCQNSOKAKTG-UHFFFAOYSA-N 0 0 414.292 3.298 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc2ncsc2c1 ZINC000003478836 568908259 /nfs/dbraw/zinc/90/82/59/568908259.db2.gz VJHXVYISFLRNPY-JTQLQIEISA-N 0 0 401.400 3.397 50 5 HGBARN COc1ccc(-c2c3c(c4c(C)nc5ccccc5n24)n(C)c(=O)n(C)c3=O)cc1 ZINC000003644439 568922295 /nfs/dbraw/zinc/92/22/95/568922295.db2.gz AZPIKDPMYGBEID-UHFFFAOYSA-N 0 0 400.438 3.022 50 5 HGBARN Cc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1[N+](=O)[O-] ZINC000012746335 568932590 /nfs/dbraw/zinc/93/25/90/568932590.db2.gz GVKWQKHQOGKUSC-UHFFFAOYSA-N 0 0 410.426 3.410 50 5 HGBARN O=C(c1ccccc1Oc1nc([N+](=O)[O-])nn1Cc1ccccc1F)N1CCCC1 ZINC000001428917 568936602 /nfs/dbraw/zinc/93/66/02/568936602.db2.gz FFYVEQZZZYULMB-UHFFFAOYSA-N 0 0 411.393 3.402 50 5 HGBARN CCN(CCNc1ccc([N+](=O)[O-])c2cccnc12)S(=O)(=O)c1ccccc1 ZINC000004188680 568949164 /nfs/dbraw/zinc/94/91/64/568949164.db2.gz WAGUZILONSGUTI-UHFFFAOYSA-N 0 0 400.460 3.266 50 5 HGBARN CCOc1ccc(CN(CC)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000012768511 568949826 /nfs/dbraw/zinc/94/98/26/568949826.db2.gz IBPOWGZHZOYHAD-UHFFFAOYSA-N 0 0 401.463 3.487 50 5 HGBARN C[C@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC1CCCC1 ZINC000004245766 568953385 /nfs/dbraw/zinc/95/33/85/568953385.db2.gz 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O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000021687449 568738239 /nfs/dbraw/zinc/73/82/39/568738239.db2.gz TUDXFAAORFRJKQ-UHFFFAOYSA-N 0 0 416.434 3.408 50 5 HGBARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000000944353 568752744 /nfs/dbraw/zinc/75/27/44/568752744.db2.gz DIWNUQMHWZCVJK-SFHVURJKSA-N 0 0 406.402 3.123 50 5 HGBARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000940459 568753065 /nfs/dbraw/zinc/75/30/65/568753065.db2.gz AJYGBLZZDRPIML-GOSISDBHSA-N 0 0 406.402 3.123 50 5 HGBARN CCOC(=O)CSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000000976263 568758893 /nfs/dbraw/zinc/75/88/93/568758893.db2.gz LBBIWPSRQAPDAI-UHFFFAOYSA-N 0 0 414.443 3.410 50 5 HGBARN C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001049603 568764646 /nfs/dbraw/zinc/76/46/46/568764646.db2.gz HIOHHDUGFZNPKC-VIFPVBQESA-N 0 0 418.258 3.207 50 5 HGBARN CCc1cccc(C)c1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 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O=[N+]([O-])c1ccc(N2CCN(Cc3nc(COc4ccc(F)cc4)no3)CC2)cc1 ZINC000029239682 568823534 /nfs/dbraw/zinc/82/35/34/568823534.db2.gz ATAOTEOIHHAWGA-UHFFFAOYSA-N 0 0 413.409 3.018 50 5 HGBARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc([N+](=O)[O-])c2)CCO1 ZINC000005862086 568826469 /nfs/dbraw/zinc/82/64/69/568826469.db2.gz CCVVHHAPYLFUDF-CZUORRHYSA-N 0 0 418.475 3.402 50 5 HGBARN O=C(COC(=O)c1ccc(Br)o1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005865852 568827022 /nfs/dbraw/zinc/82/70/22/568827022.db2.gz FKTOTJHMNPQPRN-UHFFFAOYSA-N 0 0 403.572 3.399 50 5 HGBARN COc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000057363860 568829314 /nfs/dbraw/zinc/82/93/14/568829314.db2.gz OQPADZIHNAEBET-UHFFFAOYSA-N 0 0 404.854 3.018 50 5 HGBARN C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000003017544 568838675 /nfs/dbraw/zinc/83/86/75/568838675.db2.gz FVQOACBMIQIEFQ-CYBMUJFWSA-N 0 0 406.435 3.439 50 5 HGBARN CC1CCN(C(=O)c2ccc(S(=O)(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000003017545 568838763 /nfs/dbraw/zinc/83/87/63/568838763.db2.gz FAAPJUNFHHEPTC-UHFFFAOYSA-N 0 0 406.435 3.439 50 5 HGBARN COc1ccc([C@@H](C)NC(=O)c2ccc3nc4ccccc4c(=O)n3c2)cc1OC ZINC000057477716 568839746 /nfs/dbraw/zinc/83/97/46/568839746.db2.gz QMCAIQRHLSYJQO-CQSZACIVSA-N 0 0 403.438 3.356 50 5 HGBARN CCOC(=O)C1=C(c2ccccc2)NC(=O)N(C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000003035129 568845571 /nfs/dbraw/zinc/84/55/71/568845571.db2.gz XSPCCWNYNWYWOQ-LJQANCHMSA-N 0 0 409.398 3.182 50 5 HGBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1ccc2c(c1)OCCO2 ZINC000012536866 568845969 /nfs/dbraw/zinc/84/59/69/568845969.db2.gz XCCDEWPEIQVTDH-UHFFFAOYSA-N 0 0 414.461 3.285 50 5 HGBARN CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000012549496 568852379 /nfs/dbraw/zinc/85/23/79/568852379.db2.gz WMMQHZWHNNRYPA-UHFFFAOYSA-N 0 0 422.894 3.479 50 5 HGBARN Cn1ccnc1[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1F ZINC000012551060 568853125 /nfs/dbraw/zinc/85/31/25/568853125.db2.gz 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Cc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000058154236 568892401 /nfs/dbraw/zinc/89/24/01/568892401.db2.gz JNCZATCNGQAMLX-IBGZPJMESA-N 0 0 403.866 3.360 50 5 HGBARN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccccc2O)CC1 ZINC000058159059 568892616 /nfs/dbraw/zinc/89/26/16/568892616.db2.gz ZSLXQDSXQBYVFG-ZDUSSCGKSA-N 0 0 404.854 3.103 50 5 HGBARN CSc1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)nc1C ZINC000058157696 568893555 /nfs/dbraw/zinc/89/35/55/568893555.db2.gz DAZVQFOLSNFUTA-SECBINFHSA-N 0 0 410.452 3.212 50 5 HGBARN COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000003498062 568909869 /nfs/dbraw/zinc/90/98/69/568909869.db2.gz JSWIPAYDOHPGAY-JTQLQIEISA-N 0 0 408.794 3.449 50 5 HGBARN COc1ccc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(Br)c1OC ZINC000058391281 568915840 /nfs/dbraw/zinc/91/58/40/568915840.db2.gz SDSMIKOIGOPHOL-UHFFFAOYSA-N 0 0 420.219 3.133 50 5 HGBARN CCOC(=O)C[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1cccc([N+](=O)[O-])c1 ZINC000003623206 568920711 /nfs/dbraw/zinc/92/07/11/568920711.db2.gz WVKJIRWVJKELSW-QGZVFWFLSA-N 0 0 410.382 3.126 50 5 HGBARN O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 ZINC000003641603 568922020 /nfs/dbraw/zinc/92/20/20/568922020.db2.gz NKKHNXJKSMMIIF-QGZVFWFLSA-N 0 0 423.341 3.008 50 5 HGBARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@]31C ZINC000004073631 568938006 /nfs/dbraw/zinc/93/80/06/568938006.db2.gz SBEZFIPFTGBYJL-NRFANRHFSA-N 0 0 406.398 3.325 50 5 biogenic HGBARN Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000012783527 568959052 /nfs/dbraw/zinc/95/90/52/568959052.db2.gz MQEJDJQOJICDEK-OAHLLOKOSA-N 0 0 403.435 3.125 50 5 HGBARN Cc1cc(C(=O)OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000008066421 568971188 /nfs/dbraw/zinc/97/11/88/568971188.db2.gz GOFSLMOQKVRHAV-UHFFFAOYSA-N 0 0 417.849 3.062 50 5 HGBARN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000008143839 568977261 /nfs/dbraw/zinc/97/72/61/568977261.db2.gz VXFCVFJCDFPLRQ-UHFFFAOYSA-N 0 0 411.336 3.227 50 5 HGBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000008245777 568984639 /nfs/dbraw/zinc/98/46/39/568984639.db2.gz LCIBPDYQWOWMLM-CYBMUJFWSA-N 0 0 405.813 3.417 50 5 HGBARN NC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCC2 ZINC000006062185 568991072 /nfs/dbraw/zinc/99/10/72/568991072.db2.gz WCUXVYQOAOOYPQ-UHFFFAOYSA-N 0 0 409.851 3.305 50 5 HGBARN C[C@H](NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccc2c(c1)CCCC2 ZINC000008394836 568999028 /nfs/dbraw/zinc/99/90/28/568999028.db2.gz VSGVRWKLYXQOCQ-AWEZNQCLSA-N 0 0 406.442 3.061 50 5 HGBARN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000008394692 568999037 /nfs/dbraw/zinc/99/90/37/568999037.db2.gz TUGLPUQFXFQKJH-ZDUSSCGKSA-N 0 0 407.382 3.176 50 5 HGBARN C[C@@H](NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccc2c(c1)CCCC2 ZINC000008394837 568999173 /nfs/dbraw/zinc/99/91/73/568999173.db2.gz VSGVRWKLYXQOCQ-CQSZACIVSA-N 0 0 406.442 3.061 50 5 HGBARN Cc1nn(-c2nc3ccccc3n2C)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000015868256 569017043 /nfs/dbraw/zinc/01/70/43/569017043.db2.gz IBZAGOPGFQNZCL-OAHLLOKOSA-N 0 0 402.414 3.450 50 5 HGBARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1cccc([N+](=O)[O-])c1 ZINC000015883618 569019448 /nfs/dbraw/zinc/01/94/48/569019448.db2.gz LZOBXQPPTXWSAY-UHFFFAOYSA-N 0 0 414.487 3.175 50 5 HGBARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000016045560 569028182 /nfs/dbraw/zinc/02/81/82/569028182.db2.gz LPPKAAMCIFNOQG-DHZHZOJOSA-N 0 0 401.850 3.426 50 5 HGBARN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)c1 ZINC000016196528 569029743 /nfs/dbraw/zinc/02/97/43/569029743.db2.gz ZUKPPSIBOIARJR-CYBMUJFWSA-N 0 0 400.456 3.447 50 5 HGBARN O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000016301968 569030943 /nfs/dbraw/zinc/03/09/43/569030943.db2.gz OYODALJVXSKNEU-UHFFFAOYSA-N 0 0 409.364 3.380 50 5 HGBARN C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016330625 569031454 /nfs/dbraw/zinc/03/14/54/569031454.db2.gz HKYMMVILLDCNOC-GWCFXTLKSA-N 0 0 409.493 3.157 50 5 HGBARN C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016330624 569031489 /nfs/dbraw/zinc/03/14/89/569031489.db2.gz HKYMMVILLDCNOC-MFKMUULPSA-N 0 0 409.493 3.157 50 5 HGBARN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000016381611 569040093 /nfs/dbraw/zinc/04/00/93/569040093.db2.gz WDVZAXYDZCINSX-UHFFFAOYSA-N 0 0 418.258 3.161 50 5 HGBARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000006324058 569043283 /nfs/dbraw/zinc/04/32/83/569043283.db2.gz TZUCACZSFJNRSM-QZTJIDSGSA-N 0 0 419.433 3.165 50 5 HGBARN CC(C)COc1ccc(-c2nc3s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc1 ZINC000026687531 569052585 /nfs/dbraw/zinc/05/25/85/569052585.db2.gz YQKPFKRRBIUPTD-WOJGMQOQSA-N 0 0 422.466 3.309 50 5 HGBARN Cn1ccnc1[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000016470941 569052634 /nfs/dbraw/zinc/05/26/34/569052634.db2.gz BIANGZSBAFMMSL-OAQYLSRUSA-N 0 0 419.485 3.451 50 5 HGBARN CCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O ZINC000001898335 569057201 /nfs/dbraw/zinc/05/72/01/569057201.db2.gz REMYJTVERZBCDJ-KNQAVFIVSA-N 0 0 418.453 3.171 50 5 HGBARN Cc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@H](C(=O)NC4CC4)[C@@H]3C2)cc1 ZINC000035870432 569063996 /nfs/dbraw/zinc/06/39/96/569063996.db2.gz OAELKOJOALDRNK-UNMCSNQZSA-N 0 0 406.486 3.049 50 5 HGBARN CC(C)(C)N(CC(=O)N1CCn2cccc2[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)C1CC1 ZINC000036010288 569075705 /nfs/dbraw/zinc/07/57/05/569075705.db2.gz NQBZUPPJTVWSMA-OAQYLSRUSA-N 0 0 424.501 3.365 50 5 HGBARN CC[C@@H](C)NC(=O)[C@H]1COC2(CCC(C)CC2)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000006835157 569148903 /nfs/dbraw/zinc/14/89/03/569148903.db2.gz NHXIWGLIOILAMP-CDOGXQQPSA-N 0 0 403.479 3.257 50 5 HGBARN Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000007509050 569243607 /nfs/dbraw/zinc/24/36/07/569243607.db2.gz PWPROWWYTFKBMW-UHFFFAOYSA-N 0 0 401.382 3.250 50 5 HGBARN O=C(c1ccc(F)cc1Br)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000170631653 569250895 /nfs/dbraw/zinc/25/08/95/569250895.db2.gz CXCLUSZPQXNROP-LLVKDONJSA-N 0 0 409.215 3.218 50 5 HGBARN COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)C[C@H](C)C3)n2)c1 ZINC000017206699 569276631 /nfs/dbraw/zinc/27/66/31/569276631.db2.gz DFPJNFKYQFGQPW-RYUDHWBXSA-N 0 0 402.455 3.210 50 5 HGBARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 ZINC000002082244 569278594 /nfs/dbraw/zinc/27/85/94/569278594.db2.gz PRSGHGJPXZJJBT-LLVKDONJSA-N 0 0 419.507 3.050 50 5 HGBARN N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1C1CCCC1 ZINC000002201540 569295535 /nfs/dbraw/zinc/29/55/35/569295535.db2.gz NNGDUQOBIRSCIM-UHFFFAOYSA-N 0 0 420.494 3.077 50 5 HGBARN Cc1nn(Cc2ccc(C(=O)N(C)[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000241301062 569304935 /nfs/dbraw/zinc/30/49/35/569304935.db2.gz LQAKGEDGRHSJJF-DFQSSKMNSA-N 0 0 412.490 3.342 50 5 HGBARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000007759108 569307315 /nfs/dbraw/zinc/30/73/15/569307315.db2.gz WSZFGWAVOKDZHA-UHFFFAOYSA-N 0 0 408.823 3.119 50 5 HGBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCC2 ZINC000002249492 569323450 /nfs/dbraw/zinc/32/34/50/569323450.db2.gz NKLOEXVMHMCGID-UHFFFAOYSA-N 0 0 405.388 3.482 50 5 HGBARN CCOC(=O)c1ccc(N[C@@H]2SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000002330962 569375823 /nfs/dbraw/zinc/37/58/23/569375823.db2.gz OBHYISHLOBRHHM-MRXNPFEDSA-N 0 0 415.427 3.405 50 5 HGBARN CCOCCCn1c(C)nc2c(c3nc4ccccc4nc3n2C[C@@H]2CCCO2)c1=O ZINC000002421731 569398212 /nfs/dbraw/zinc/39/82/12/569398212.db2.gz VLJZUPQTEHUXJW-INIZCTEOSA-N 0 0 421.501 3.208 50 5 HGBARN O=C(NCc1cccnc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000012935432 569405015 /nfs/dbraw/zinc/40/50/15/569405015.db2.gz YHTPBCLIURXLPA-DEDYPNTBSA-N 0 0 402.410 3.077 50 5 HGBARN COC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000012950535 569405142 /nfs/dbraw/zinc/40/51/42/569405142.db2.gz PIOLYYIJYWTSFB-CQSZACIVSA-N 0 0 410.407 3.037 50 5 HGBARN Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000012972880 569405467 /nfs/dbraw/zinc/40/54/67/569405467.db2.gz VOHXLRGGFIIOKQ-UHFFFAOYSA-N 0 0 400.460 3.184 50 5 HGBARN COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)c([N+](=O)[O-])c1 ZINC000013112325 569409320 /nfs/dbraw/zinc/40/93/20/569409320.db2.gz QYTCMERMFAEABT-UHFFFAOYSA-N 0 0 403.420 3.031 50 5 HGBARN O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000078903668 569421625 /nfs/dbraw/zinc/42/16/25/569421625.db2.gz LKUVAKRFLYILHX-OAHLLOKOSA-N 0 0 410.430 3.407 50 5 HGBARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([N+](=O)[O-])s2)N3)C1 ZINC000008722317 571107282 /nfs/dbraw/zinc/10/72/82/571107282.db2.gz TYTZJMJRGOMILW-CYBMUJFWSA-N 0 0 408.461 3.087 50 5 HGBARN O=C(Nc1ccc(Br)cn1)c1ccn(COc2ccccc2[N+](=O)[O-])n1 ZINC000008782608 571119498 /nfs/dbraw/zinc/11/94/98/571119498.db2.gz BEJZJLJEGFBJJW-UHFFFAOYSA-N 0 0 418.207 3.238 50 5 HGBARN Cc1ccc([C@](O)(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000040087167 571157646 /nfs/dbraw/zinc/15/76/46/571157646.db2.gz GVBYRVVBZMISOP-QGZVFWFLSA-N 0 0 415.368 3.255 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000040095047 571162030 /nfs/dbraw/zinc/16/20/30/571162030.db2.gz FYZKEKKDCUSQHY-UHFFFAOYSA-N 0 0 424.413 3.340 50 5 HGBARN Cc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]3C2=O)[C@H]2[C@H]4N=NN2c2ccccc2[N+](=O)[O-])cc1 ZINC000245238191 571218931 /nfs/dbraw/zinc/21/89/31/571218931.db2.gz FUDXRGXMLQXLPF-CZOCOAOWSA-N 0 0 417.425 3.283 50 5 HGBARN COc1ccc(Nc2nc(Nc3cc(OC)ccc3OC)nc(N)c2[N+](=O)[O-])cc1 ZINC000009312302 571247129 /nfs/dbraw/zinc/24/71/29/571247129.db2.gz OVGJSPBSOXXOQJ-UHFFFAOYSA-N 0 0 412.406 3.480 50 5 HGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000009402795 571254924 /nfs/dbraw/zinc/25/49/24/571254924.db2.gz APRVOXAWZNUROX-UHFFFAOYSA-N 0 0 421.409 3.436 50 5 HGBARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009708714 571280945 /nfs/dbraw/zinc/28/09/45/571280945.db2.gz GVAULQYMECBCSF-IBGZPJMESA-N 0 0 420.425 3.047 50 5 HGBARN CC(C)(C)NC(=O)Nc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000009743966 571283723 /nfs/dbraw/zinc/28/37/23/571283723.db2.gz LAVRNZXHUVETCY-UHFFFAOYSA-N 0 0 410.481 3.097 50 5 HGBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010203641 571296629 /nfs/dbraw/zinc/29/66/29/571296629.db2.gz CJZPTSUFPAGSIG-KRWDZBQOSA-N 0 0 424.501 3.465 50 5 HGBARN COc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2c1 ZINC000010297146 571299653 /nfs/dbraw/zinc/29/96/53/571299653.db2.gz MVRQWZMNRJACLA-UHFFFAOYSA-N 0 0 421.453 3.453 50 5 HGBARN Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000017209301 571308878 /nfs/dbraw/zinc/30/88/78/571308878.db2.gz 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HGBARN Cc1c(OCC(=O)NC[C@@H](O)c2ccccc2)ccc2c3ccccc3c(=O)oc12 ZINC000006659033 569083601 /nfs/dbraw/zinc/08/36/01/569083601.db2.gz ADHNDFLNPSEDMD-HXUWFJFHSA-N 0 0 403.434 3.483 50 5 HGBARN Cc1c(O[C@@H](C)C(=O)NCCCN2CCCC2=O)ccc2c3ccccc3c(=O)oc12 ZINC000006660211 569084137 /nfs/dbraw/zinc/08/41/37/569084137.db2.gz AIEQUPUSBZVQEW-INIZCTEOSA-N 0 0 422.481 3.151 50 5 HGBARN CCC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000006662522 569085605 /nfs/dbraw/zinc/08/56/05/569085605.db2.gz KBDAAPOHDXDAGM-LJQANCHMSA-N 0 0 412.398 3.016 50 5 HGBARN O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000006784344 569120827 /nfs/dbraw/zinc/12/08/27/569120827.db2.gz KYSVWTAVZMAXPG-UHFFFAOYSA-N 0 0 407.434 3.203 50 5 HGBARN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000036398210 569171455 /nfs/dbraw/zinc/17/14/55/569171455.db2.gz DAWCHJRSODBSNK-UHFFFAOYSA-N 0 0 422.420 3.201 50 5 HGBARN Cc1cc(Cl)ccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 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CC[C@H](C)n1c(=N)c(S(=O)(=O)c2ccccc2)cc2c1nc1c(C)cccn1c2=O ZINC000100826790 560759261 /nfs/dbraw/zinc/75/92/61/560759261.db2.gz DJOGJRCRWNPRAO-HNNXBMFYSA-N 0 0 422.510 3.241 50 5 HGBARN COCCn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)c1ccc(N(C)C)cc1 ZINC000100872713 560761214 /nfs/dbraw/zinc/76/12/14/560761214.db2.gz KDSHSYZDMFWUIB-VXPUYCOJSA-N 0 0 400.460 3.065 50 5 HGBARN COCCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000101035535 560766943 /nfs/dbraw/zinc/76/69/43/560766943.db2.gz WNTYJSPHDZJMJG-VXPUYCOJSA-N 0 0 417.443 3.016 50 5 HGBARN CCCCn1c(=N)c(C(=O)NCc2ccc(C)cc2)cc2c1nc1ccccn1c2=O ZINC000101114463 560786895 /nfs/dbraw/zinc/78/68/95/560786895.db2.gz ZSQWZJCMUDTILS-UHFFFAOYSA-N 0 0 415.497 3.167 50 5 HGBARN COc1cc(/C=C\C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000104343926 560850739 /nfs/dbraw/zinc/85/07/39/560850739.db2.gz YHVFUSJABDDLNX-OQFOIZHKSA-N 0 0 422.340 3.400 50 5 HGBARN COCCNC(=O)C[C@@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc([N+](=O)[O-])c1 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O=C(CN1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000222432034 568758707 /nfs/dbraw/zinc/75/87/07/568758707.db2.gz RPHSVRKAPNYPTL-IPELMVKDSA-N 0 0 407.426 3.102 50 5 HGBARN Cc1ccc(OC[C@@H]2SCCN2S(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000001025337 568763531 /nfs/dbraw/zinc/76/35/31/568763531.db2.gz JBMPTJFRCIDESE-KRWDZBQOSA-N 0 0 412.464 3.185 50 5 HGBARN COc1cc([C@H]2OC(c3cc(C)ccc3[N+](=O)[O-])=NN2C(C)=O)cc(OC)c1OC ZINC000001033044 568764061 /nfs/dbraw/zinc/76/40/61/568764061.db2.gz ATOXKWCMYBAWAN-HXUWFJFHSA-N 0 0 415.402 3.168 50 5 HGBARN Cc1sc2nc(CN3CCOCC3)nc(-n3ncc4ccc([N+](=O)[O-])cc43)c2c1C ZINC000022287020 568765896 /nfs/dbraw/zinc/76/58/96/568765896.db2.gz ZZKURRMLBNZLGZ-UHFFFAOYSA-N 0 0 424.486 3.387 50 5 HGBARN COCCNc1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000027955844 568774165 /nfs/dbraw/zinc/77/41/65/568774165.db2.gz WSBXMUCPLVHZTL-UHFFFAOYSA-N 0 0 422.821 3.435 50 5 HGBARN CCC[C@@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000002851454 568813123 /nfs/dbraw/zinc/81/31/23/568813123.db2.gz YAZLYXZFWUICEY-OAHLLOKOSA-N 0 0 405.476 3.095 50 5 HGBARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1C ZINC000001182262 568821653 /nfs/dbraw/zinc/82/16/53/568821653.db2.gz MCWWTJISCJBDPV-QGZVFWFLSA-N 0 0 401.444 3.412 50 5 HGBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC[C@H]1Cc2ccccc2O1 ZINC000025569809 568822114 /nfs/dbraw/zinc/82/21/14/568822114.db2.gz QPJLCOMVDNLWHR-LLVKDONJSA-N 0 0 402.350 3.304 50 5 HGBARN O=C(CCc1ccccc1)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@]1(O)C(F)(F)F ZINC000001215297 568824654 /nfs/dbraw/zinc/82/46/54/568824654.db2.gz UZAGSRLMMDNPMO-SFHVURJKSA-N 0 0 407.348 3.415 50 5 HGBARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2cccc([N+](=O)[O-])c2)CCO1 ZINC000005862230 568826497 /nfs/dbraw/zinc/82/64/97/568826497.db2.gz CCVVHHAPYLFUDF-BBRMVZONSA-N 0 0 418.475 3.402 50 5 HGBARN 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HGBARN O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)Nc1cccnc1 ZINC000001114939 568770717 /nfs/dbraw/zinc/77/07/17/568770717.db2.gz VSDZRKMRBJKBRC-UHFFFAOYSA-N 0 0 401.382 3.005 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002467344 568772690 /nfs/dbraw/zinc/77/26/90/568772690.db2.gz MNYKBBUAHXMNDA-UHFFFAOYSA-N 0 0 410.835 3.202 50 5 HGBARN COCCn1c2ccccc2nc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000002616407 568785637 /nfs/dbraw/zinc/78/56/37/568785637.db2.gz HTFQMXQKXMFIMG-UHFFFAOYSA-N 0 0 404.423 3.461 50 5 HGBARN CCc1cc2c(ncnc2SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000002619693 568786863 /nfs/dbraw/zinc/78/68/63/568786863.db2.gz JJIGPAHYUUJSDG-UHFFFAOYSA-N 0 0 402.457 3.211 50 5 HGBARN O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)OCC(=O)c1cc2ccccc2o1 ZINC000002629990 568790364 /nfs/dbraw/zinc/79/03/64/568790364.db2.gz YCDYUTYWRSXLIV-UHFFFAOYSA-N 0 0 416.773 3.150 50 5 HGBARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002651776 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ZINC000012557946 568856483 /nfs/dbraw/zinc/85/64/83/568856483.db2.gz GTJXIXSUVZLBJP-GOSISDBHSA-N 0 0 410.386 3.470 50 5 HGBARN CCOc1ccc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1OCC ZINC000003239136 568865882 /nfs/dbraw/zinc/86/58/82/568865882.db2.gz KSYZJJRWGPZQBU-UHFFFAOYSA-N 0 0 406.366 3.327 50 5 HGBARN CCOc1ccc(C[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)s2)C(=O)OC)cc1 ZINC000058085779 568884069 /nfs/dbraw/zinc/88/40/69/568884069.db2.gz QPJRMIUPYZJKMA-CQSZACIVSA-N 0 0 406.460 3.125 50 5 HGBARN CC1CCC(NS(=O)(=O)c2ccc(N[C@@H]3CCCC[C@H]3O)c([N+](=O)[O-])c2)CC1 ZINC000058162258 568894768 /nfs/dbraw/zinc/89/47/68/568894768.db2.gz BNRIFWCNXOVVPQ-QDMVDURRSA-N 0 0 411.524 3.167 50 5 HGBARN CC(C)OC(=O)C[C@H](NS(=O)(=O)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000031071112 568912151 /nfs/dbraw/zinc/91/21/51/568912151.db2.gz XAGUWZDMRMIKKC-INIZCTEOSA-N 0 0 410.423 3.095 50 5 HGBARN CCOC(=O)C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(C)cc1 ZINC000003622783 568920661 /nfs/dbraw/zinc/92/06/61/568920661.db2.gz ZJSMMNUIPOMDBP-SFHVURJKSA-N 0 0 424.409 3.434 50 5 HGBARN Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCC[C@H](C)C3)c(Cl)cc12 ZINC000004708617 568929268 /nfs/dbraw/zinc/92/92/68/568929268.db2.gz HHLHJSYNWPLMLF-ZDUSSCGKSA-N 0 0 405.907 3.230 50 5 HGBARN Cc1nn(CC(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)c(C)c1[N+](=O)[O-] ZINC000084013807 568933104 /nfs/dbraw/zinc/93/31/04/568933104.db2.gz LRRQHUMYKMZTNV-SFHVURJKSA-N 0 0 414.487 3.232 50 5 HGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)N=C(Nc2ccc(C)cc2)S1 ZINC000004091115 568941994 /nfs/dbraw/zinc/94/19/94/568941994.db2.gz RRGKLKJQMVMENN-MRXNPFEDSA-N 0 0 414.443 3.351 50 5 HGBARN COc1ccc(C(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000004120106 568944716 /nfs/dbraw/zinc/94/47/16/568944716.db2.gz JRSWPYJUQLQMNH-UHFFFAOYSA-N 0 0 401.444 3.357 50 5 HGBARN C[C@@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC1CCCC1 ZINC000004245767 568953355 /nfs/dbraw/zinc/95/33/55/568953355.db2.gz IDOSQYAWZWLLMO-SNVBAGLBSA-N 0 0 403.357 3.016 50 5 HGBARN Cc1ccc(C(=O)Oc2coc(CSc3nccn3C)cc2=O)cc1[N+](=O)[O-] ZINC000004251359 568955229 /nfs/dbraw/zinc/95/52/29/568955229.db2.gz DDHJYZHQLYNUDW-UHFFFAOYSA-N 0 0 401.400 3.101 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000008041746 568970610 /nfs/dbraw/zinc/97/06/10/568970610.db2.gz ZTSYGERTQPKBQP-UHFFFAOYSA-N 0 0 421.475 3.097 50 5 HGBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000004307110 568977892 /nfs/dbraw/zinc/97/78/92/568977892.db2.gz ZGRAOKRONTYSLK-KPCCXISESA-N 0 0 411.458 3.147 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1csc(-c2ccccc2)n1 ZINC000012817120 568990088 /nfs/dbraw/zinc/99/00/88/568990088.db2.gz TXUHENFJQGDTSW-UHFFFAOYSA-N 0 0 405.457 3.205 50 5 HGBARN COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000008373756 568995668 /nfs/dbraw/zinc/99/56/68/568995668.db2.gz ZSZQWDXDJSURGL-MRXNPFEDSA-N 0 0 404.394 3.494 50 5 HGBARN Cc1ccc(C(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1[N+](=O)[O-] ZINC000015880786 569018053 /nfs/dbraw/zinc/01/80/53/569018053.db2.gz GJCPZZLEFVCQPK-UHFFFAOYSA-N 0 0 412.427 3.016 50 5 HGBARN COCCNc1ccc(C(=O)N(C)CCOc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000016175663 569029606 /nfs/dbraw/zinc/02/96/06/569029606.db2.gz AZJHGMMWWKRYBH-UHFFFAOYSA-N 0 0 407.854 3.458 50 5 HGBARN COC(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1C)C(Cl)(Cl)Cl ZINC000006194339 569031356 /nfs/dbraw/zinc/03/13/56/569031356.db2.gz ZRKGECGUUUPXJP-SECBINFHSA-N 0 0 415.686 3.242 50 5 HGBARN COc1ccc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000001807624 569053548 /nfs/dbraw/zinc/05/35/48/569053548.db2.gz AZGZLQNHZLJWNV-UHFFFAOYSA-N 0 0 411.414 3.399 50 5 HGBARN CCCN1CC(=O)N2[C@H](c3ccc([N+](=O)[O-])cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000001898334 569057236 /nfs/dbraw/zinc/05/72/36/569057236.db2.gz REMYJTVERZBCDJ-SIKLNZKXSA-N 0 0 418.453 3.171 50 5 biogenic HGBARN CN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1)C(=O)C1CC1 ZINC000035946584 569067437 /nfs/dbraw/zinc/06/74/37/569067437.db2.gz KJZXFLBRCJYMPT-FQEVSTJZSA-N 0 0 424.432 3.280 50 5 HGBARN CCOc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@@H](CC)C2=O)cc1[N+](=O)[O-] ZINC000006758206 569112975 /nfs/dbraw/zinc/11/29/75/569112975.db2.gz NPBYBTOQAIWCPL-KRWDZBQOSA-N 0 0 412.398 3.016 50 5 HGBARN CC(C)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000169681338 569127378 /nfs/dbraw/zinc/12/73/78/569127378.db2.gz PFNOLOIJBFGCMC-CTNGQTDRSA-N 0 0 412.465 3.126 50 5 HGBARN CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(Cl)cc3)C[C@@H]12 ZINC000169681864 569127836 /nfs/dbraw/zinc/12/78/36/569127836.db2.gz FHUHIDGFALMWFJ-QUCCMNQESA-N 0 0 414.893 3.252 50 5 HGBARN CNC(=O)NC(=O)[C@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000013149044 569211743 /nfs/dbraw/zinc/21/17/43/569211743.db2.gz DRWCUGNKDPBSRQ-GOSISDBHSA-N 0 0 423.381 3.209 50 5 HGBARN O=C(c1ccc(F)cc1Br)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000170631652 569250903 /nfs/dbraw/zinc/25/09/03/569250903.db2.gz CXCLUSZPQXNROP-NSHDSACASA-N 0 0 409.215 3.218 50 5 HGBARN CC(C)OC(=O)C[C@H](NC(=O)c1cnc2ccccc2n1)c1ccccc1[N+](=O)[O-] ZINC000014378820 569259704 /nfs/dbraw/zinc/25/97/04/569259704.db2.gz DATARECEXVQMSJ-KRWDZBQOSA-N 0 0 408.414 3.351 50 5 HGBARN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000089904917 569268171 /nfs/dbraw/zinc/26/81/71/569268171.db2.gz GKUNXMVZNPPOBF-ZZDSUILFSA-N 0 0 402.881 3.025 50 5 HGBARN Cc1nn(CCNC(=O)c2ccc(COc3ccc(F)cc3F)o2)c(C)c1[N+](=O)[O-] ZINC000017092127 569273330 /nfs/dbraw/zinc/27/33/30/569273330.db2.gz XAQJLTASTKZTJK-UHFFFAOYSA-N 0 0 420.372 3.288 50 5 HGBARN COc1ccc(Oc2cc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc([N+](=O)[O-])c2)cc1 ZINC000002113070 569283974 /nfs/dbraw/zinc/28/39/74/569283974.db2.gz KRDQXUKATINROY-UHFFFAOYSA-N 0 0 413.346 3.139 50 5 HGBARN O=C(NCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 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ZINC000007820020 569312802 /nfs/dbraw/zinc/31/28/02/569312802.db2.gz PYIITXQJPNABAJ-ZDUSSCGKSA-N 0 0 400.387 3.167 50 5 HGBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000027469197 569324900 /nfs/dbraw/zinc/32/49/00/569324900.db2.gz GLGUBHCTGYZBNY-UHFFFAOYSA-N 0 0 407.342 3.403 50 5 HGBARN COCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(OC)c2)c1=O ZINC000002278923 569327998 /nfs/dbraw/zinc/32/79/98/569327998.db2.gz AOUINBGOLSIMKJ-UHFFFAOYSA-N 0 0 415.453 3.247 50 5 HGBARN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)s1 ZINC000253418460 569367585 /nfs/dbraw/zinc/36/75/85/569367585.db2.gz QVLOCKYDOSHGSJ-QLFBSQMISA-N 0 0 408.501 3.069 50 5 HGBARN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000253426607 569368328 /nfs/dbraw/zinc/36/83/28/569368328.db2.gz KIDVRWPGMGZIJA-WFASDCNBSA-N 0 0 404.467 3.297 50 5 HGBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)CCC(=O)OCCc1ccccc1 ZINC000012137251 569399604 /nfs/dbraw/zinc/39/96/04/569399604.db2.gz LWXZNHKNXQIMJD-UHFFFAOYSA-N 0 0 415.471 3.282 50 5 HGBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(Cc3ccccc3F)n2)cc1 ZINC000012375596 569400558 /nfs/dbraw/zinc/40/05/58/569400558.db2.gz GNAWWCGPJZPCRC-UHFFFAOYSA-N 0 0 422.376 3.210 50 5 HGBARN COC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000012950527 569405117 /nfs/dbraw/zinc/40/51/17/569405117.db2.gz GHVMRMFQDCQOQD-CQSZACIVSA-N 0 0 410.407 3.037 50 5 HGBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c1C ZINC000012973687 569405498 /nfs/dbraw/zinc/40/54/98/569405498.db2.gz UZKMCVRKMIRGDI-UHFFFAOYSA-N 0 0 416.522 3.265 50 5 HGBARN COc1cccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000013382202 569413144 /nfs/dbraw/zinc/41/31/44/569413144.db2.gz AGLIOSGRDOVVMV-UHFFFAOYSA-N 0 0 419.440 3.145 50 5 HGBARN O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc(N3CCOC3=O)cc2[N+](=O)[O-])C1 ZINC000078903640 569421688 /nfs/dbraw/zinc/42/16/88/569421688.db2.gz FRNPROKXPMZQPV-HNNXBMFYSA-N 0 0 410.430 3.407 50 5 HGBARN O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000019831854 569430919 /nfs/dbraw/zinc/43/09/19/569430919.db2.gz BXASVFQKBLRSFH-UHFFFAOYSA-N 0 0 410.474 3.280 50 5 HGBARN COc1ccc(N2C[C@H](C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)CC2=O)cc1 ZINC000008473848 571052919 /nfs/dbraw/zinc/05/29/19/571052919.db2.gz WWGUGWJAKKFEOI-LLVKDONJSA-N 0 0 412.427 3.205 50 5 HGBARN COc1cc(-c2noc(-c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc(OC)c1OC ZINC000008587029 571083514 /nfs/dbraw/zinc/08/35/14/571083514.db2.gz OVGDAEHQLCSRDI-UHFFFAOYSA-N 0 0 400.391 3.404 50 5 HGBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000040070923 571151436 /nfs/dbraw/zinc/15/14/36/571151436.db2.gz UASJBFKBTYTIDJ-UHFFFAOYSA-N 0 0 421.375 3.141 50 5 HGBARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])C1=O ZINC000008946268 571172004 /nfs/dbraw/zinc/17/20/04/571172004.db2.gz HIQRXMKFNPNLPR-NRFANRHFSA-N 0 0 410.430 3.089 50 5 HGBARN Cc1cc(C)c(NC(=O)CNC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000040115125 571172756 /nfs/dbraw/zinc/17/27/56/571172756.db2.gz FAOMUWXNQMOZPB-UHFFFAOYSA-N 0 0 409.446 3.015 50 5 HGBARN Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000040155781 571202843 /nfs/dbraw/zinc/20/28/43/571202843.db2.gz NQZGHKZHQSTAAT-HUUCEWRRSA-N 0 0 413.496 3.017 50 5 HGBARN CCOC(=O)c1c(C)c(CC)sc1NC(=O)COc1ccc(C)nc1[N+](=O)[O-] ZINC000009509367 571264061 /nfs/dbraw/zinc/26/40/61/571264061.db2.gz FMLSYHPRRSNVCO-UHFFFAOYSA-N 0 0 407.448 3.425 50 5 HGBARN O=C(COc1ncnc2ccc(Br)cc21)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000009509125 571264070 /nfs/dbraw/zinc/26/40/70/571264070.db2.gz XPCAZUQBKJRZAK-UHFFFAOYSA-N 0 0 421.182 3.457 50 5 HGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)C)cc2)C1=O ZINC000009778698 571285034 /nfs/dbraw/zinc/28/50/34/571285034.db2.gz UOENKLIVVKRGHY-QFIPXVFZSA-N 0 0 424.457 3.432 50 5 HGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010187218 571296050 /nfs/dbraw/zinc/29/60/50/571296050.db2.gz SESNDBIXKLHKOP-LBPRGKRZSA-N 0 0 415.880 3.102 50 5 HGBARN CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000010252646 571298401 /nfs/dbraw/zinc/29/84/01/571298401.db2.gz LUKKEMLJXQKDNE-UHFFFAOYSA-N 0 0 417.468 3.303 50 5 HGBARN Cc1ccc(C(=O)NCC(=O)NCCCCOc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000010305040 571299700 /nfs/dbraw/zinc/29/97/00/571299700.db2.gz MZPDPEKOLFDQLC-UHFFFAOYSA-N 0 0 419.865 3.262 50 5 HGBARN Cc1cc(C(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)ccc1[N+](=O)[O-] ZINC000010313204 571300166 /nfs/dbraw/zinc/30/01/66/571300166.db2.gz ZCHLGXBVNNOOJF-UHFFFAOYSA-N 0 0 407.430 3.172 50 5 HGBARN Cc1ccc(C(=O)NC(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000001049943 132235894 /nfs/dbraw/zinc/23/58/94/132235894.db2.gz WYRFWQNPRRUDRX-UHFFFAOYSA-N 0 0 418.906 3.394 50 5 HGBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C)cc1 ZINC000004188671 132272685 /nfs/dbraw/zinc/27/26/85/132272685.db2.gz NFEHRYDCPMZCNX-AWEZNQCLSA-N 0 0 409.895 3.456 50 5 HGBARN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000004414536 132276885 /nfs/dbraw/zinc/27/68/85/132276885.db2.gz GGOCJRRIGXJGRJ-UHFFFAOYSA-N 0 0 400.435 3.135 50 5 HGBARN O=C(c1ccc(F)cc1)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004543896 132278335 /nfs/dbraw/zinc/27/83/35/132278335.db2.gz CACZVILNBQHETK-UHFFFAOYSA-N 0 0 416.428 3.436 50 5 HGBARN Cc1ccc(N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1Cl ZINC000004575088 132278907 /nfs/dbraw/zinc/27/89/07/132278907.db2.gz JPGMKFUFHRDNBY-UHFFFAOYSA-N 0 0 409.895 3.376 50 5 HGBARN O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1cccs1 ZINC000004607750 132280151 /nfs/dbraw/zinc/28/01/51/132280151.db2.gz ALVGDMCSDZDMMY-UHFFFAOYSA-N 0 0 410.908 3.147 50 5 aggregator HGBARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC000004660447 132281176 /nfs/dbraw/zinc/28/11/76/132281176.db2.gz HAVGPZZZFQDGCB-WBVHZDCISA-N 0 0 403.479 3.247 50 5 HGBARN O=C(Nc1ccccc1Br)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004839696 132290196 /nfs/dbraw/zinc/29/01/96/132290196.db2.gz CIEYEAGELNIPKS-UHFFFAOYSA-N 0 0 406.236 3.446 50 5 HGBARN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccs1 ZINC000004998756 132298077 /nfs/dbraw/zinc/29/80/77/132298077.db2.gz CNIGBTUTULUDBP-UHFFFAOYSA-N 0 0 410.908 3.147 50 5 aggregator HGBARN O=C(Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000005068122 132300263 /nfs/dbraw/zinc/30/02/63/132300263.db2.gz JQYQXXJLNLDRMR-UHFFFAOYSA-N 0 0 408.502 3.476 50 5 HGBARN CCN1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2Cl)CC1 ZINC000006241900 132309777 /nfs/dbraw/zinc/30/97/77/132309777.db2.gz IKVLMHMDEWIKQF-UHFFFAOYSA-N 0 0 418.881 3.408 50 5 HGBARN O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000012577711 132364528 /nfs/dbraw/zinc/36/45/28/132364528.db2.gz DNIVHNAKDGBNSV-UHFFFAOYSA-N 0 0 424.457 3.475 50 5 HGBARN CCN1C[C@@H](CN(C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])Oc2ccccc21 ZINC000012768671 132366788 /nfs/dbraw/zinc/36/67/88/132366788.db2.gz QRAAQCWUPYGCKV-OAHLLOKOSA-N 0 0 400.435 3.355 50 5 HGBARN CCOc1ccccc1C(=O)N[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000032906928 521460615 /nfs/dbraw/zinc/46/06/15/521460615.db2.gz XEJKUKJMWSJQJR-HXUWFJFHSA-N 0 0 411.458 3.337 50 5 HGBARN CCOC(=O)c1sc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)nc1C ZINC000045068019 521612957 /nfs/dbraw/zinc/61/29/57/521612957.db2.gz WSMIWDJZTBEJAV-UHFFFAOYSA-N 0 0 422.444 3.408 50 5 HGBARN COc1cc2cc(C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)[nH]c2c(OC)c1 ZINC000032906252 523059947 /nfs/dbraw/zinc/05/99/47/523059947.db2.gz XYSPQBFQAKXANV-UHFFFAOYSA-N 0 0 413.386 3.197 50 5 HGBARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N3CCCSCC3)c([N+](=O)[O-])c2)C1 ZINC000032935569 525212829 /nfs/dbraw/zinc/21/28/29/525212829.db2.gz OCOBDFAHIXDRMF-HUUCEWRRSA-N 0 0 413.565 3.205 50 5 HGBARN O=C(CCCNc1ccccc1[N+](=O)[O-])N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000032748267 526444835 /nfs/dbraw/zinc/44/48/35/526444835.db2.gz DMSHRZOXJZKGMM-UHFFFAOYSA-N 0 0 416.522 3.428 50 5 HGBARN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000030259308 527037472 /nfs/dbraw/zinc/03/74/72/527037472.db2.gz UJLMDKLAWPIPTH-UHFFFAOYSA-N 0 0 418.450 3.202 50 5 HGBARN CCOc1ccccc1-c1noc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000012761926 535483056 /nfs/dbraw/zinc/48/30/56/535483056.db2.gz FBQXWKUMVBNNPF-UHFFFAOYSA-N 0 0 409.446 3.366 50 5 HGBARN CCOC(=O)c1cc(C(=O)N2CCCc3c(C(=O)OC)cccc32)cc([N+](=O)[O-])c1 ZINC000025192214 535675321 /nfs/dbraw/zinc/67/53/21/535675321.db2.gz LKIMVXSKLJITMX-UHFFFAOYSA-N 0 0 412.398 3.151 50 5 HGBARN COc1cccc2sc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc21 ZINC000005446771 536970254 /nfs/dbraw/zinc/97/02/54/536970254.db2.gz BOKUFRVNCBWFQQ-UHFFFAOYSA-N 0 0 414.443 3.302 50 5 HGBARN COC(=O)c1cc(C(=O)OCc2ccc(OC(F)F)c(OC)c2)cc([N+](=O)[O-])c1 ZINC000022874770 557842034 /nfs/dbraw/zinc/84/20/34/557842034.db2.gz WBMMWMDVOSCGKR-UHFFFAOYSA-N 0 0 411.313 3.348 50 5 HGBARN CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000004517728 558640728 /nfs/dbraw/zinc/64/07/28/558640728.db2.gz SRQNNYNJIXHDBJ-UHFFFAOYSA-N 0 0 403.441 3.374 50 5 HGBARN O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004518944 558648197 /nfs/dbraw/zinc/64/81/97/558648197.db2.gz QQQGNWIKDZWAHP-GOSISDBHSA-N 0 0 400.412 3.133 50 5 HGBARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000004551469 558678387 /nfs/dbraw/zinc/67/83/87/558678387.db2.gz IBTQLIDRTSHYQX-UHFFFAOYSA-N 0 0 410.249 3.493 50 5 HGBARN C[C@@]1(C2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC000072312269 558837380 /nfs/dbraw/zinc/83/73/80/558837380.db2.gz JZKQACAEGSJAQX-HNNXBMFYSA-N 0 0 420.775 3.082 50 5 HGBARN Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc([N+](=O)[O-])cc1)c1c(=O)oc3ccccc3c1O2 ZINC000013657802 558851284 /nfs/dbraw/zinc/85/12/84/558851284.db2.gz HEUDTEUHXCTBOV-OAHLLOKOSA-N 0 0 403.350 3.379 50 5 HGBARN COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)c1cc(=O)oc2c1ccc(OC)c2OC ZINC000013722446 558858764 /nfs/dbraw/zinc/85/87/64/558858764.db2.gz KQAXMRBHKMYFOY-MRXNPFEDSA-N 0 0 413.382 3.218 50 5 HGBARN COc1ccc(Cc2nnc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)s2)cc1 ZINC000004679206 558881905 /nfs/dbraw/zinc/88/19/05/558881905.db2.gz ZKUVLNBSRHPQAB-UHFFFAOYSA-N 0 0 400.416 3.307 50 5 HGBARN CCOC(=O)N[C@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000013879137 558889408 /nfs/dbraw/zinc/88/94/08/558889408.db2.gz WRYKDVKNCSDFIN-VIFPVBQESA-N 0 0 415.686 3.324 50 5 HGBARN Cc1ccc(S(=O)(=O)NCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000004687536 558893739 /nfs/dbraw/zinc/89/37/39/558893739.db2.gz ZKUDWUZHCCDJAQ-UHFFFAOYSA-N 0 0 403.382 3.312 50 5 HGBARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004806353 559068053 /nfs/dbraw/zinc/06/80/53/559068053.db2.gz AYQGDHDSQJWDFT-SFHVURJKSA-N 0 0 412.471 3.425 50 5 HGBARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000014095693 559150681 /nfs/dbraw/zinc/15/06/81/559150681.db2.gz SFRMVDMPTRZCRO-IBGZPJMESA-N 0 0 409.446 3.261 50 5 HGBARN COc1cc(/C=C2/SC(=N)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000033393899 559158310 /nfs/dbraw/zinc/15/83/10/559158310.db2.gz DHQUWXZBFZOETI-CHHVJCJISA-N 0 0 416.371 3.443 50 5 HGBARN O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000004840243 559167112 /nfs/dbraw/zinc/16/71/12/559167112.db2.gz PLTUUGDTGUDMHP-UHFFFAOYSA-N 0 0 412.398 3.006 50 5 HGBARN C[C@@H]1CCCN(C(=O)COC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)C1 ZINC000004839895 559167167 /nfs/dbraw/zinc/16/71/67/559167167.db2.gz QPTGQSPWMDEGRC-MRXNPFEDSA-N 0 0 403.479 3.391 50 5 HGBARN COc1ccc([C@H]2SCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000004855154 559192518 /nfs/dbraw/zinc/19/25/18/559192518.db2.gz SAINDXDOCGTTEJ-QGZVFWFLSA-N 0 0 410.473 3.048 50 5 HGBARN CS(=O)(=O)c1ccc2nc(NC(=O)/C=C\c3ccccc3[N+](=O)[O-])sc2c1 ZINC000033457721 559194102 /nfs/dbraw/zinc/19/41/02/559194102.db2.gz MPIHACPXYYCICD-TWGQIWQCSA-N 0 0 403.441 3.260 50 5 HGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)C(=O)c1ccco1 ZINC000004893577 559198081 /nfs/dbraw/zinc/19/80/81/559198081.db2.gz ZMYHDDDKYAQCQM-UHFFFAOYSA-N 0 0 409.398 3.478 50 5 HGBARN C/C(Cl)=C/CN1C(=O)[C@@H]2[C@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000004951509 559215652 /nfs/dbraw/zinc/21/56/52/559215652.db2.gz DZUGVVXEURRXCB-BOTYTDAASA-N 0 0 408.841 3.410 50 5 HGBARN COc1ccc(N(C(=O)c2cccnc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005027928 559229690 /nfs/dbraw/zinc/22/96/90/559229690.db2.gz ARQATUJHXKBCKW-UHFFFAOYSA-N 0 0 413.411 3.034 50 5 HGBARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000012970417 559231333 /nfs/dbraw/zinc/23/13/33/559231333.db2.gz GCLDFUPODDUWHH-UHFFFAOYSA-N 0 0 409.851 3.484 50 5 HGBARN O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2csc(-c3ccc(F)cc3)n2)c1 ZINC000005137645 559251257 /nfs/dbraw/zinc/25/12/57/559251257.db2.gz VIICVIYHGXXUIR-UHFFFAOYSA-N 0 0 407.448 3.378 50 5 HGBARN Cc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@H](C(=O)N4CCCC4)[C@H]3C2)cc1 ZINC000248119238 559263440 /nfs/dbraw/zinc/26/34/40/559263440.db2.gz REPHKUQORLBOFO-FYYLOGMGSA-N 0 0 420.513 3.393 50 5 HGBARN CC(C)Cn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccc([N+](=O)[O-])cc1 ZINC000005350336 560571323 /nfs/dbraw/zinc/57/13/23/560571323.db2.gz UTNLVUGFDPPTPV-UHFFFAOYSA-N 0 0 404.426 3.480 50 5 HGBARN Cc1c(I)cc(I)c(C)c1[N+](=O)[O-] ZINC000005601223 560628933 /nfs/dbraw/zinc/62/89/33/560628933.db2.gz ZJEQQNHJRBMDJI-UHFFFAOYSA-N 0 0 402.957 3.421 50 5 HGBARN CC(C)Oc1ccc(-c2nc3s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc1 ZINC000005690082 560781002 /nfs/dbraw/zinc/78/10/02/560781002.db2.gz KOKULQMNUBAGHB-GZTJUZNOSA-N 0 0 408.439 3.061 50 5 HGBARN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4ccccc4)c(O)c23)cc1 ZINC000103577586 560843528 /nfs/dbraw/zinc/84/35/28/560843528.db2.gz XBZVSHPSYCLFJU-PZJWPPBQSA-N 0 0 412.405 3.377 50 5 HGBARN CCOC(=O)c1ccc(OC[C@H](O)Cn2ccnc2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000048299694 568437264 /nfs/dbraw/zinc/43/72/64/568437264.db2.gz UIFBNUIYRUUXBG-GOSISDBHSA-N 0 0 411.414 3.075 50 5 HGBARN CCOc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 ZINC000048374779 568442667 /nfs/dbraw/zinc/44/26/67/568442667.db2.gz RENHRSZWOPXVKQ-UHFFFAOYSA-N 0 0 424.379 3.370 50 5 HGBARN O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000014896052 568442964 /nfs/dbraw/zinc/44/29/64/568442964.db2.gz AJGMPXNORQLZFW-UHFFFAOYSA-N 0 0 417.849 3.372 50 5 HGBARN COCCOc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1OC ZINC000024936300 568490551 /nfs/dbraw/zinc/49/05/51/568490551.db2.gz IJESNZXYIVBWIL-UHFFFAOYSA-N 0 0 415.446 3.481 50 5 HGBARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC000000845094 568534216 /nfs/dbraw/zinc/53/42/16/568534216.db2.gz LELQDFQGTUMUFA-UHFFFAOYSA-N 0 0 406.464 3.244 50 5 HGBARN CCOC(=O)C1=C(C)N(C)[C@]2(SC(C(C)=O)=NN2c2cccc([N+](=O)[O-])c2)S1 ZINC000020442411 568607803 /nfs/dbraw/zinc/60/78/03/568607803.db2.gz UGWFSBKIJJEKAD-QGZVFWFLSA-N 0 0 422.488 3.135 50 5 HGBARN Cn1c2cn(-c3cccc([N+](=O)[O-])c3)c(-c3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000020443078 568607961 /nfs/dbraw/zinc/60/79/61/568607961.db2.gz AZOGOIMWBPEVOE-UHFFFAOYSA-N 0 0 410.817 3.257 50 5 HGBARN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccccc1[N+](=O)[O-])NCCN1CCOCC1 ZINC000096278215 568716613 /nfs/dbraw/zinc/71/66/13/568716613.db2.gz GMQRQUMGVYCMAA-IBGZPJMESA-N 0 0 422.485 3.047 50 5 HGBARN CC[C@@]1(C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C1(C(=O)OC)C(=O)OC ZINC000000896639 568740660 /nfs/dbraw/zinc/74/06/60/568740660.db2.gz LTZZMGVLESYPMC-UWJYYQICSA-N 0 0 411.410 3.304 50 5 HGBARN COc1cccc(-n2c3nc4c5ccccc5c(=O)[nH]n4c(=O)c3sc2=S)c1 ZINC000021729555 568751898 /nfs/dbraw/zinc/75/18/98/568751898.db2.gz QPQQWVVAUZYAHG-UHFFFAOYSA-N 0 0 408.464 3.279 50 5 HGBARN Cc1cc(C)c(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)c1 ZINC000000951494 568756747 /nfs/dbraw/zinc/75/67/47/568756747.db2.gz SBVNCZVODWGAOT-UHFFFAOYSA-N 0 0 401.806 3.490 50 5 HGBARN COc1cc(Cl)c(C)cc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000000951530 568756762 /nfs/dbraw/zinc/75/67/62/568756762.db2.gz GIGCUIIICNWKNS-UHFFFAOYSA-N 0 0 417.805 3.190 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O ZINC000000951461 568757238 /nfs/dbraw/zinc/75/72/38/568757238.db2.gz QMESYSVTHHTWPB-KRWDZBQOSA-N 0 0 411.414 3.253 50 5 HGBARN O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccccc1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000001049529 568764835 /nfs/dbraw/zinc/76/48/35/568764835.db2.gz LBHUPSSHOCUKJM-NFJKTXFASA-N 0 0 410.429 3.467 50 5 HGBARN CCOC(=O)C1C(CNc2cccc([N+](=O)[O-])c2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000001061573 568765851 /nfs/dbraw/zinc/76/58/51/568765851.db2.gz DLNLQHLUAWUZKO-FQEVSTJZSA-N 0 0 424.457 3.495 50 5 HGBARN C[C@@H](OC(=O)Cc1csc(-c2ccccn2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000022383375 568767178 /nfs/dbraw/zinc/76/71/78/568767178.db2.gz OQFUFAFOHIEZFE-GFCCVEGCSA-N 0 0 412.427 3.226 50 5 HGBARN COc1ccccc1CNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000025424679 568768013 /nfs/dbraw/zinc/76/80/13/568768013.db2.gz SECFRTDZFVNRAB-SFHVURJKSA-N 0 0 419.865 3.328 50 5 HGBARN O=[N+]([O-])c1cccc(-c2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)c1 ZINC000001097996 568769069 /nfs/dbraw/zinc/76/90/69/568769069.db2.gz WBFBYHNADSHSJL-UHFFFAOYSA-N 0 0 414.443 3.486 50 5 HGBARN O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)NC1CCCCC1 ZINC000001113749 568770593 /nfs/dbraw/zinc/77/05/93/568770593.db2.gz HGSCWWDBJNIGEJ-UHFFFAOYSA-N 0 0 406.442 3.421 50 5 HGBARN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001124381 568771410 /nfs/dbraw/zinc/77/14/10/568771410.db2.gz QDUOCAOJESOXHE-UHFFFAOYSA-N 0 0 408.823 3.119 50 5 HGBARN Cn1c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2n(C)c1=O ZINC000001103870 568771876 /nfs/dbraw/zinc/77/18/76/568771876.db2.gz SYMKCPDALROBFC-LICLKQGHSA-N 0 0 424.438 3.022 50 5 HGBARN CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 ZINC000001143193 568772277 /nfs/dbraw/zinc/77/22/77/568772277.db2.gz HBUQHERWHXDQST-MRXNPFEDSA-N 0 0 404.398 3.305 50 5 HGBARN CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O ZINC000002627009 568789517 /nfs/dbraw/zinc/78/95/17/568789517.db2.gz QJFVKZNGATXEMY-NRFANRHFSA-N 0 0 411.414 3.209 50 5 HGBARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1)CCCCC2 ZINC000002727132 568802822 /nfs/dbraw/zinc/80/28/22/568802822.db2.gz HHULJJQVWFJLMA-LLVKDONJSA-N 0 0 406.464 3.498 50 5 HGBARN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1F ZINC000002728746 568802902 /nfs/dbraw/zinc/80/29/02/568802902.db2.gz ZTSYYNKGZDDRHR-UHFFFAOYSA-N 0 0 407.404 3.276 50 5 HGBARN CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(Cn3cc([N+](=O)[O-])cn3)c2)s1 ZINC000002735376 568804331 /nfs/dbraw/zinc/80/43/31/568804331.db2.gz WNRVYGYURWEWBW-UHFFFAOYSA-N 0 0 413.459 3.376 50 5 HGBARN Cc1cc(OCc2cccc(-c3nc4c5cnn(C)c5ncn4n3)c2)ccc1[N+](=O)[O-] ZINC000002800756 568811190 /nfs/dbraw/zinc/81/11/90/568811190.db2.gz GPFXKCLTTKNMNX-UHFFFAOYSA-N 0 0 415.413 3.474 50 5 HGBARN CS(=O)(=O)c1ccc(NCc2cccc(NC(=O)c3ccco3)c2)c([N+](=O)[O-])c1 ZINC000025571184 568822063 /nfs/dbraw/zinc/82/20/63/568822063.db2.gz SQZHOYSRMDHVHU-UHFFFAOYSA-N 0 0 415.427 3.456 50 5 HGBARN O=C(CNc1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012527686 568843648 /nfs/dbraw/zinc/84/36/48/568843648.db2.gz NSOQBERKDBQJQI-UHFFFAOYSA-N 0 0 406.324 3.245 50 5 HGBARN COCC(=O)Nc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000012527460 568843688 /nfs/dbraw/zinc/84/36/88/568843688.db2.gz CQDNPIKKYJOMMF-UHFFFAOYSA-N 0 0 415.449 3.378 50 5 HGBARN C[C@@H](C(=O)NC1CCCC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000057517103 568848995 /nfs/dbraw/zinc/84/89/95/568848995.db2.gz CIJCUAFFKGEBCR-ZDUSSCGKSA-N 0 0 414.428 3.183 50 5 HGBARN COC(=O)c1cc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc([N+](=O)[O-])c1 ZINC000012546005 568850453 /nfs/dbraw/zinc/85/04/53/568850453.db2.gz IVNPYUIJFOKESR-UHFFFAOYSA-N 0 0 406.398 3.187 50 5 HGBARN O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1ncc(C(F)(F)F)cc1Cl ZINC000003274977 568850551 /nfs/dbraw/zinc/85/05/51/568850551.db2.gz APDCBDAAIJRVEA-UHFFFAOYSA-N 0 0 417.727 3.386 50 5 HGBARN Cc1ncc([N+](=O)[O-])n1CCOC(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000003066939 568852612 /nfs/dbraw/zinc/85/26/12/568852612.db2.gz KPAYZZFSECLSTH-UHFFFAOYSA-N 0 0 403.247 3.138 50 5 HGBARN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057561353 568853895 /nfs/dbraw/zinc/85/38/95/568853895.db2.gz QQOZTRPMWFKNCP-HNNXBMFYSA-N 0 0 423.448 3.431 50 5 HGBARN C[C@H](Nc1cccc(NS(C)(=O)=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000030026730 568856392 /nfs/dbraw/zinc/85/63/92/568856392.db2.gz QIHIKSUEIIPGBX-JTQLQIEISA-N 0 0 412.855 3.059 50 5 HGBARN CCOc1cc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC ZINC000003181435 568860271 /nfs/dbraw/zinc/86/02/71/568860271.db2.gz DKFBWINIFZASSD-QGZVFWFLSA-N 0 0 418.446 3.254 50 5 HGBARN COC(=O)c1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)cc([N+](=O)[O-])c1 ZINC000003217241 568862810 /nfs/dbraw/zinc/86/28/10/568862810.db2.gz JMMWETSWKWIFMM-UHFFFAOYSA-N 0 0 406.778 3.139 50 5 HGBARN C[C@@H]1CN(Cc2csc(NC(=O)CCNc3ccccc3[N+](=O)[O-])n2)C[C@H](C)O1 ZINC000012594655 568868827 /nfs/dbraw/zinc/86/88/27/568868827.db2.gz CAYFJPJYHVTMKM-OKILXGFUSA-N 0 0 419.507 3.101 50 5 HGBARN CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000003264279 568869523 /nfs/dbraw/zinc/86/95/23/568869523.db2.gz FTOYNIKYZBYSJC-UHFFFAOYSA-N 0 0 414.414 3.302 50 5 HGBARN COc1ccc(C(C)(C)C)cc1NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000003421506 568899989 /nfs/dbraw/zinc/89/99/89/568899989.db2.gz RKZKDBZIENKYDS-UHFFFAOYSA-N 0 0 410.430 3.250 50 5 HGBARN COc1cc(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)c([N+](=O)[O-])cc1OC ZINC000003498503 568909943 /nfs/dbraw/zinc/90/99/43/568909943.db2.gz ZIVNTYCSWSKJAZ-UHFFFAOYSA-N 0 0 402.403 3.405 50 5 HGBARN CCCC(=O)N[C@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000004017703 568933410 /nfs/dbraw/zinc/93/34/10/568933410.db2.gz BWBXBQNTFCLKDX-LLVKDONJSA-N 0 0 413.714 3.494 50 5 HGBARN CCCC(=O)N[C@@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000004017704 568933460 /nfs/dbraw/zinc/93/34/60/568933460.db2.gz BWBXBQNTFCLKDX-NSHDSACASA-N 0 0 413.714 3.494 50 5 HGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000004070846 568937769 /nfs/dbraw/zinc/93/77/69/568937769.db2.gz QCLVKHFAPZIPDA-UHFFFAOYSA-N 0 0 419.459 3.030 50 5 HGBARN Cc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(C)c4[N+](=O)[O-])CC3)n2)cc1 ZINC000012755830 568942827 /nfs/dbraw/zinc/94/28/27/568942827.db2.gz ZOXWUVZNAMVFPA-UHFFFAOYSA-N 0 0 421.457 3.220 50 5 HGBARN O=C(COC(=O)CCSc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1 ZINC000006049246 568983786 /nfs/dbraw/zinc/98/37/86/568983786.db2.gz BVLCJMXCZDFWJK-UHFFFAOYSA-N 0 0 401.853 3.369 50 5 HGBARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000085404574 568985718 /nfs/dbraw/zinc/98/57/18/568985718.db2.gz FKZLPHNYWJNRJK-YQORSWRPSA-N 0 0 412.401 3.177 50 5 HGBARN COc1ccc(O)c(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000026018391 568992703 /nfs/dbraw/zinc/99/27/03/568992703.db2.gz ALEKDVNEZNGDJJ-UHFFFAOYSA-N 0 0 414.292 3.123 50 5 HGBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cc2c(cc1Br)OCO2 ZINC000008387314 568996241 /nfs/dbraw/zinc/99/62/41/568996241.db2.gz PVSUNDNRMDVJCM-ACAGNQJTSA-N 0 0 417.171 3.431 50 5 HGBARN CCOC(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000006089415 568999075 /nfs/dbraw/zinc/99/90/75/568999075.db2.gz ADOHRBVCQGCXAQ-VIFPVBQESA-N 0 0 415.686 3.324 50 5 HGBARN O=C1c2ccc([N+](=O)[O-])c3c2c(ccc3[N+](=O)[O-])C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000008435494 569002872 /nfs/dbraw/zinc/00/28/72/569002872.db2.gz VHRLGRNFEZRHDJ-UHFFFAOYSA-N 0 0 408.282 3.365 50 5 HGBARN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccncc1 ZINC000008435636 569002941 /nfs/dbraw/zinc/00/29/41/569002941.db2.gz KGMMBDQFCWHINM-UHFFFAOYSA-N 0 0 414.447 3.008 50 5 HGBARN CC[C@H](C)n1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c1nc1ccccn1c2=O ZINC000100642536 569008164 /nfs/dbraw/zinc/00/81/64/569008164.db2.gz HXPPPWGSOJQUCH-HNNXBMFYSA-N 0 0 422.510 3.241 50 5 HGBARN CCCn1c(CN2CCOCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000026121373 569016964 /nfs/dbraw/zinc/01/69/64/569016964.db2.gz KDXYFQTWNYLIPJ-UHFFFAOYSA-N 0 0 423.473 3.439 50 5 HGBARN O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000015881990 569018950 /nfs/dbraw/zinc/01/89/50/569018950.db2.gz LBTMGCZHPWMVMK-GOSISDBHSA-N 0 0 418.402 3.272 50 5 HGBARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000012923611 569023438 /nfs/dbraw/zinc/02/34/38/569023438.db2.gz ZWDUCVYNVFRBCI-CYBMUJFWSA-N 0 0 414.853 3.460 50 5 HGBARN Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000012931760 569024854 /nfs/dbraw/zinc/02/48/54/569024854.db2.gz XHALTIHOZOQOQH-UHFFFAOYSA-N 0 0 414.487 3.243 50 5 HGBARN O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1cc2c(cc1Br)OCCO2 ZINC000064306965 569052506 /nfs/dbraw/zinc/05/25/06/569052506.db2.gz BTCVLXMUKMMVOF-UHFFFAOYSA-N 0 0 407.176 3.085 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cc(NC(C)=O)ccc1OC ZINC000006507722 569061837 /nfs/dbraw/zinc/06/18/37/569061837.db2.gz IUCWZPAQQHUVGO-LLVKDONJSA-N 0 0 402.407 3.010 50 5 HGBARN O=C(Nc1ccc2nc3c(nc2c1)[nH]c(=O)n(C1CCCCC1)c3=O)c1ccccc1 ZINC000006733138 569103730 /nfs/dbraw/zinc/10/37/30/569103730.db2.gz KCYUYNMDTSVUEU-UHFFFAOYSA-N 0 0 415.453 3.391 50 5 HGBARN CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3Cl)C[C@@H]12 ZINC000169678731 569126232 /nfs/dbraw/zinc/12/62/32/569126232.db2.gz VQGMFAXILYNZQM-JXFKEZNVSA-N 0 0 414.893 3.252 50 5 HGBARN CC[C@H](C)NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000169681563 569127604 /nfs/dbraw/zinc/12/76/04/569127604.db2.gz NFBQNSFUTAEIBO-BUKVSMQUSA-N 0 0 408.502 3.377 50 5 HGBARN COc1ccc(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c(OC)c1OC ZINC000006825496 569141341 /nfs/dbraw/zinc/14/13/41/569141341.db2.gz KFKBFJJFRZJVKT-UHFFFAOYSA-N 0 0 418.402 3.033 50 5 HGBARN Cc1cc(OCc2ccc(C(=O)N3NC=C[C@]3(O)C(F)(F)F)o2)ccc1[N+](=O)[O-] ZINC000006922165 569182645 /nfs/dbraw/zinc/18/26/45/569182645.db2.gz MZFHHWYWDYEXHK-INIZCTEOSA-N 0 0 413.308 3.158 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCC(=O)c1ccccc1 ZINC000007395893 569236446 /nfs/dbraw/zinc/23/64/46/569236446.db2.gz CQIYXHFRDHDUID-ZDUSSCGKSA-N 0 0 400.387 3.137 50 5 HGBARN Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000007508491 569243534 /nfs/dbraw/zinc/24/35/34/569243534.db2.gz GTYKFNZSZCNLSM-UHFFFAOYSA-N 0 0 401.382 3.250 50 5 HGBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(COc3ccccc3)n2)cc1 ZINC000017092132 569274596 /nfs/dbraw/zinc/27/45/96/569274596.db2.gz BTLKKNJYYWBOKD-UHFFFAOYSA-N 0 0 420.385 3.059 50 5 HGBARN CC(=O)n1cc([C@H](C[N+](=O)[O-])SCCNC(=O)c2ccco2)c2ccccc21 ZINC000002206392 569296712 /nfs/dbraw/zinc/29/67/12/569296712.db2.gz JXGFMHANALUESI-SFHVURJKSA-N 0 0 401.444 3.375 50 5 HGBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000027374967 569298170 /nfs/dbraw/zinc/29/81/70/569298170.db2.gz PQKRUKJVZASWQC-HOCLYGCPSA-N 0 0 422.441 3.261 50 5 HGBARN Cc1sc(C(=O)NCCNC(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000027458262 569324645 /nfs/dbraw/zinc/32/46/45/569324645.db2.gz NOVBBCVOEQHDFO-UHFFFAOYSA-N 0 0 402.259 3.431 50 5 HGBARN COCCNC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000002252120 569324790 /nfs/dbraw/zinc/32/47/90/569324790.db2.gz NXFWENWCUTUNJU-UHFFFAOYSA-N 0 0 403.460 3.164 50 5 HGBARN COCCNC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000002305269 569372064 /nfs/dbraw/zinc/37/20/64/569372064.db2.gz XLDJFINPZYGQHZ-UHFFFAOYSA-N 0 0 403.460 3.164 50 5 HGBARN COc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000002344497 569376262 /nfs/dbraw/zinc/37/62/62/569376262.db2.gz KBRLGGSZUWYEGD-UHFFFAOYSA-N 0 0 414.414 3.447 50 5 HGBARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ncccn1 ZINC000002345539 569378226 /nfs/dbraw/zinc/37/82/26/569378226.db2.gz UOTUEXQDXPPBOA-KRWDZBQOSA-N 0 0 400.350 3.241 50 5 HGBARN Cc1ccc(C(O)=C2[C@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008915412 569390861 /nfs/dbraw/zinc/39/08/61/569390861.db2.gz TUHGGHNGNPMCAZ-RLFYNMQTSA-N 0 0 423.347 3.007 50 5 HGBARN COC(=O)c1nn(-c2nc(-c3cccc(OC)c3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000009597974 569393716 /nfs/dbraw/zinc/39/37/16/569393716.db2.gz URZQIHZJWXJGPJ-UHFFFAOYSA-N 0 0 423.307 3.052 50 5 HGBARN CC1CCC(NS(=O)(=O)c2ccc(N3CCO[C@H]4CCC[C@@H]43)c([N+](=O)[O-])c2)CC1 ZINC000079017477 569396337 /nfs/dbraw/zinc/39/63/37/569396337.db2.gz LJUJKJKVFZEDCW-UIZVLNOTSA-N 0 0 423.535 3.210 50 5 HGBARN CCOCCCn1c(C)nc2c(c3nc4ccccc4nc3n2CCCOC)c1=O ZINC000002407957 569396373 /nfs/dbraw/zinc/39/63/73/569396373.db2.gz NSBVZZQRUGXYPB-UHFFFAOYSA-N 0 0 409.490 3.066 50 5 HGBARN O=C(Cn1cc([N+](=O)[O-])cc(Br)c1=O)c1ccccc1OC(F)F 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O=c1[nH]nc(-c2cccc([N+](=O)[O-])c2)c2c1Nc1nnnn1[C@H]2c1ccccc1Cl ZINC000010296512 571299608 /nfs/dbraw/zinc/29/96/08/571299608.db2.gz MJDGJSFBUFFDAW-INIZCTEOSA-N 0 0 422.792 3.092 50 5 HGBARN COc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-] ZINC000002845589 571308833 /nfs/dbraw/zinc/30/88/33/571308833.db2.gz HVZJRMTYZGGGHS-UHFFFAOYSA-N 0 0 406.420 3.479 50 5 HGBARN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1N1CCCCC1 ZINC000003318166 132264665 /nfs/dbraw/zinc/26/46/65/132264665.db2.gz PTCDEHGKMMEARY-UHFFFAOYSA-N 0 0 422.441 3.210 50 5 HGBARN CC(C)Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004193013 132272904 /nfs/dbraw/zinc/27/29/04/132272904.db2.gz AQBXFLROOODGIZ-UHFFFAOYSA-N 0 0 403.504 3.304 50 5 HGBARN O=C(c1cccc(F)c1)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004499185 132277716 /nfs/dbraw/zinc/27/77/16/132277716.db2.gz RXRGXQWLGAJNSN-UHFFFAOYSA-N 0 0 416.428 3.436 50 5 HGBARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 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O=C(c1ccccc1F)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004570849 132278744 /nfs/dbraw/zinc/27/87/44/132278744.db2.gz BQKRPGBHNXWRKW-UHFFFAOYSA-N 0 0 416.428 3.436 50 5 HGBARN O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004678103 132282479 /nfs/dbraw/zinc/28/24/79/132282479.db2.gz FFTSQMDXNGGWIE-UHFFFAOYSA-N 0 0 416.865 3.316 50 5 HGBARN CC(C)(C)C(=O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000004687601 132283289 /nfs/dbraw/zinc/28/32/89/132283289.db2.gz LPWJMKNVHSVAGB-UHFFFAOYSA-N 0 0 404.345 3.217 50 5 HGBARN Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 ZINC000004703766 132284045 /nfs/dbraw/zinc/28/40/45/132284045.db2.gz ZRHBPQAAJNFDKN-LJQANCHMSA-N 0 0 424.501 3.457 50 5 HGBARN O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000008994190 132334667 /nfs/dbraw/zinc/33/46/67/132334667.db2.gz CNNANLSSXMBEHB-UHFFFAOYSA-N 0 0 420.878 3.212 50 5 HGBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)c(C(F)(F)F)c1 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CS(=O)(=O)c1ccc(C(=O)OCc2coc(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000011671965 559171393 /nfs/dbraw/zinc/17/13/93/559171393.db2.gz SQAJRSVAUBUURX-UHFFFAOYSA-N 0 0 408.413 3.072 50 5 HGBARN COc1ccc(C(=O)OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000004846306 559186874 /nfs/dbraw/zinc/18/68/74/559186874.db2.gz KYHOSGJGSMSDJR-QRYOHXEKSA-N 0 0 416.474 3.481 50 5 HGBARN O=C(NCc1ccncc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000004869711 559193564 /nfs/dbraw/zinc/19/35/64/559193564.db2.gz KREIAAKOZJMRLV-ZHZULCJRSA-N 0 0 402.410 3.077 50 5 HGBARN CC(=O)c1cccc(NC(=O)CCCn2nc([N+](=O)[O-])c(Br)c2C)c1 ZINC000004881417 559196401 /nfs/dbraw/zinc/19/64/01/559196401.db2.gz PVXAJYRBTSUJQM-UHFFFAOYSA-N 0 0 409.240 3.484 50 5 HGBARN Cc1ccc(CCNc2c([N+](=O)[O-])nn(-c3cccc(C(F)(F)F)c3)[n+]2[O-])cc1 ZINC000004927257 559207942 /nfs/dbraw/zinc/20/79/42/559207942.db2.gz ZZFBUJKXCDZLNT-UHFFFAOYSA-N 0 0 407.352 3.396 50 5 HGBARN CC(C)(C)P(=NC(=O)c1cccc([N+](=O)[O-])c1)(N1CCOCC1)N1CCOCC1 ZINC000004948679 559214762 /nfs/dbraw/zinc/21/47/62/559214762.db2.gz RNBFJIAKAGDNNO-UHFFFAOYSA-N 0 0 424.438 3.229 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1ncc2c1c1cc(C)ccc1oc2=O ZINC000004961729 559217816 /nfs/dbraw/zinc/21/78/16/559217816.db2.gz XTJAQUHACPIYCB-UHFFFAOYSA-N 0 0 408.370 3.007 50 5 HGBARN CC(=O)Oc1cn(CCCN2CCCC2=O)c2nc(C)n3c4ccccc4nc3c12 ZINC000005236111 560548561 /nfs/dbraw/zinc/54/85/61/560548561.db2.gz GNFGKDUXZZCKRD-UHFFFAOYSA-N 0 0 405.458 3.083 50 5 HGBARN O=C(COC(=O)c1n[nH]c2ccccc21)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000005360836 560572035 /nfs/dbraw/zinc/57/20/35/560572035.db2.gz YFLNKMWUWSEIQD-UHFFFAOYSA-N 0 0 408.292 3.285 50 5 HGBARN COc1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1[N+](=O)[O-] ZINC000005640105 560635353 /nfs/dbraw/zinc/63/53/53/560635353.db2.gz FWAGPPXRTXGYJG-VIFPVBQESA-N 0 0 403.416 3.436 50 5 HGBARN COCCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000101035724 560766853 /nfs/dbraw/zinc/76/68/53/560766853.db2.gz 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Cc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@H](C(=O)NC4CC4)[C@H]3C2)cc1 ZINC000104916051 560856536 /nfs/dbraw/zinc/85/65/36/560856536.db2.gz OAELKOJOALDRNK-IFMALSPDSA-N 0 0 406.486 3.049 50 5 HGBARN Cc1c(CS(=O)(=O)CCC(=O)Nc2ccc3c(c2)CCC3)cccc1[N+](=O)[O-] ZINC000048251402 568434282 /nfs/dbraw/zinc/43/42/82/568434282.db2.gz OYDXOAZRIFJSNO-UHFFFAOYSA-N 0 0 402.472 3.336 50 5 HGBARN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000048333911 568439653 /nfs/dbraw/zinc/43/96/53/568439653.db2.gz SQSYXHPIHBAGMB-UHFFFAOYSA-N 0 0 405.414 3.140 50 5 HGBARN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000000819726 568490184 /nfs/dbraw/zinc/49/01/84/568490184.db2.gz CSYIHAJAMFENCL-CYBMUJFWSA-N 0 0 419.231 3.454 50 5 HGBARN Cn1ccnc1C(=O)c1ccc(N(Cc2cc[nH]n2)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000095443180 568611015 /nfs/dbraw/zinc/61/10/15/568611015.db2.gz MJRWCLKZZWMJCV-UHFFFAOYSA-N 0 0 416.441 3.489 50 5 HGBARN COc1ccc(CSc2cc(NCCOC(C)=O)c([N+](=O)[O-])c3nonc32)cc1 ZINC000020683522 568640301 /nfs/dbraw/zinc/64/03/01/568640301.db2.gz OBBAGVNFZKZEQI-UHFFFAOYSA-N 0 0 418.431 3.407 50 5 HGBARN CN(C)C=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] ZINC000095682017 568643632 /nfs/dbraw/zinc/64/36/32/568643632.db2.gz XXJLKVFHHFMPRW-UHFFFAOYSA-N 0 0 401.291 3.251 50 5 HGBARN CC(C)c1ccc(-c2nn3c(CN4CCOCC4)nc4ccccc4c3nc2=O)cc1 ZINC000095944206 568663052 /nfs/dbraw/zinc/66/30/52/568663052.db2.gz IMQCLFVIKHUHLP-UHFFFAOYSA-N 0 0 415.497 3.260 50 5 HGBARN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 ZINC000025013977 568713393 /nfs/dbraw/zinc/71/33/93/568713393.db2.gz MINZHABAPIDWQJ-UHFFFAOYSA-N 0 0 403.402 3.230 50 5 HGBARN CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000866292 568723593 /nfs/dbraw/zinc/72/35/93/568723593.db2.gz VCAXIVAIXAHHOG-UHFFFAOYSA-N 0 0 416.455 3.220 50 5 HGBARN Cc1nn(C)c(C)c1Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000015113557 568756381 /nfs/dbraw/zinc/75/63/81/568756381.db2.gz LELNIOKYFCGSSN-UHFFFAOYSA-N 0 0 407.496 3.109 50 5 HGBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccccc1-c1ccccc1 ZINC000001074556 568765413 /nfs/dbraw/zinc/76/54/13/568765413.db2.gz QTDAQAZBJJTTLI-UHFFFAOYSA-N 0 0 401.378 3.497 50 5 HGBARN O=[N+]([O-])c1cccc(Nc2nc(OCC(F)(F)F)nc(OCC(F)(F)F)n2)c1 ZINC000001097318 568769542 /nfs/dbraw/zinc/76/95/42/568769542.db2.gz ZDUZEPMEWATCKU-UHFFFAOYSA-N 0 0 413.234 3.406 50 5 HGBARN COc1cc(CO)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000001117089 568770705 /nfs/dbraw/zinc/77/07/05/568770705.db2.gz HFAUGWRRTVCOPY-UHFFFAOYSA-N 0 0 415.183 3.279 50 5 HGBARN COC(=O)C1=CN(C2CCCCC2)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 ZINC000001120086 568771007 /nfs/dbraw/zinc/77/10/07/568771007.db2.gz BUOLAWSNOJSKGZ-UHFFFAOYSA-N 0 0 400.431 3.441 50 5 HGBARN COc1ccc(C(=O)NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000001134171 568773242 /nfs/dbraw/zinc/77/32/42/568773242.db2.gz LUHSOLYGWKJKOR-MRXNPFEDSA-N 0 0 402.447 3.071 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COc1nn([C@H](C)c2nc3c4c5c(sc4ncn3n2)C[C@H](C)CC5)cc1[N+](=O)[O-] ZINC000002788903 568808628 /nfs/dbraw/zinc/80/86/28/568808628.db2.gz FUWGAJWLNYVFKO-NXEZZACHSA-N 0 0 413.463 3.186 50 5 HGBARN O=C(COC(=O)c1n[nH]c2ccccc21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000028810645 568808718 /nfs/dbraw/zinc/80/87/18/568808718.db2.gz IGAXXFUNMWSGGF-UHFFFAOYSA-N 0 0 419.191 3.029 50 5 HGBARN Cc1cccc(C(C)C)c1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000002855939 568813231 /nfs/dbraw/zinc/81/32/31/568813231.db2.gz OXJZAMAGIKZYTR-UHFFFAOYSA-N 0 0 405.476 3.431 50 5 HGBARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000002861844 568813521 /nfs/dbraw/zinc/81/35/21/568813521.db2.gz VOHCIYHLKOBESX-UHFFFAOYSA-N 0 0 411.370 3.466 50 5 HGBARN O=C(CCc1ccccc1)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@]1(O)C(F)(F)F ZINC000001215299 568824690 /nfs/dbraw/zinc/82/46/90/568824690.db2.gz UZAGSRLMMDNPMO-GOSISDBHSA-N 0 0 407.348 3.415 50 5 HGBARN CCOc1ccccc1N1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 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COc1ccc(OC)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 ZINC000009499207 571263290 /nfs/dbraw/zinc/26/32/90/571263290.db2.gz VZDIFBOIFGOWFP-UHFFFAOYSA-N 0 0 415.431 3.144 50 5 HGBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC[C@H]1COc2ccccc2O1 ZINC000009540632 571267465 /nfs/dbraw/zinc/26/74/65/571267465.db2.gz BFPJVFGWDARLPN-JTQLQIEISA-N 0 0 418.349 3.140 50 5 HGBARN CCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(cc([N+](=O)[O-])cc3OC)s2)cc1 ZINC000009707751 571280736 /nfs/dbraw/zinc/28/07/36/571280736.db2.gz RLUIVBGAWAVYOT-UHFFFAOYSA-N 0 0 421.456 3.259 50 5 HGBARN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1 ZINC000000806951 132233268 /nfs/dbraw/zinc/23/32/68/132233268.db2.gz QTEYXGUOISQTCJ-UHFFFAOYSA-N 0 0 420.853 3.398 50 5 HGBARN COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1OC ZINC000004457586 132277306 /nfs/dbraw/zinc/27/73/06/132277306.db2.gz BIDWPCBIZAZCNQ-UHFFFAOYSA-N 0 0 405.838 3.228 50 5 HGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000004687382 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CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1 ZINC000032666534 519745829 /nfs/dbraw/zinc/74/58/29/519745829.db2.gz SHJSNCACCGTBFN-UHFFFAOYSA-N 0 0 405.432 3.130 50 5 HGBARN CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)[C@H]2CC2[N+](=O)[O-])ccc1Cl ZINC000245225477 521496391 /nfs/dbraw/zinc/49/63/91/521496391.db2.gz VWVHWFQLQCLAOX-GOEBONIOSA-N 0 0 423.878 3.159 50 5 HGBARN C[C@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCO2 ZINC000032777370 524978406 /nfs/dbraw/zinc/97/84/06/524978406.db2.gz XMSJXJZFCNHVHQ-JTQLQIEISA-N 0 0 401.400 3.434 50 5 HGBARN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000032823969 526169351 /nfs/dbraw/zinc/16/93/51/526169351.db2.gz IWVJPDQZLOEEJQ-OAHLLOKOSA-N 0 0 419.445 3.176 50 5 HGBARN CCCCCCNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1 ZINC000004684936 534996758 /nfs/dbraw/zinc/99/67/58/534996758.db2.gz UYBPOZAXBDIQGO-UHFFFAOYSA-N 0 0 401.471 3.352 50 5 HGBARN Cc1ccc(S(=O)(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000004336306 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COc1ccc(C(=O)N2N=C(c3ccc([N+](=O)[O-])cc3)C[C@]2(O)C(F)(F)F)cc1 ZINC000001161000 568775152 /nfs/dbraw/zinc/77/51/52/568775152.db2.gz KDXSHMJXPIXJFF-KRWDZBQOSA-N 0 0 409.320 3.105 50 5 HGBARN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCOc2c(Br)cccc21 ZINC000225710228 568779346 /nfs/dbraw/zinc/77/93/46/568779346.db2.gz OIORKIFPRUCVKF-HNNXBMFYSA-N 0 0 407.220 3.376 50 5 HGBARN O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1cc([N+](=O)[O-])ccc1F ZINC000002663210 568799773 /nfs/dbraw/zinc/79/97/73/568799773.db2.gz BNNXDBFNEOYXHI-UHFFFAOYSA-N 0 0 410.287 3.045 50 5 HGBARN CCOC(=O)CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000002720982 568802834 /nfs/dbraw/zinc/80/28/34/568802834.db2.gz WKWFEBUQIFUIRT-UHFFFAOYSA-N 0 0 424.438 3.430 50 5 HGBARN Cc1nn(CC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCC3)c(C)c1[N+](=O)[O-] ZINC000002746126 568806313 /nfs/dbraw/zinc/80/63/13/568806313.db2.gz AJUVKLXILVAQCT-UHFFFAOYSA-N 0 0 406.464 3.162 50 5 HGBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)CCCC1=O ZINC000002883171 568814178 /nfs/dbraw/zinc/81/41/78/568814178.db2.gz PNIBPPKZAFXEIM-UHFFFAOYSA-N 0 0 401.806 3.345 50 5 HGBARN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000002885105 568814294 /nfs/dbraw/zinc/81/42/94/568814294.db2.gz ODGSIKSADAOYBG-OAHLLOKOSA-N 0 0 405.476 3.313 50 5 HGBARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1C ZINC000002908710 568815215 /nfs/dbraw/zinc/81/52/15/568815215.db2.gz IAQFRHYCKUSBBT-LJQANCHMSA-N 0 0 411.414 3.187 50 5 HGBARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(-c3nnco3)cc2)c([N+](=O)[O-])c1 ZINC000015166241 568818397 /nfs/dbraw/zinc/81/83/97/568818397.db2.gz BISPBTWOPXMICI-UHFFFAOYSA-N 0 0 418.431 3.468 50 5 HGBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000226991340 568826340 /nfs/dbraw/zinc/82/63/40/568826340.db2.gz AFCTZKYPTZBVGN-SLFFLAALSA-N 0 0 416.393 3.041 50 5 HGBARN CCCn1c(Sc2c(N)c3cc([N+](=O)[O-])ccc3[nH]c2=O)nc2ccccc2c1=O ZINC000005919356 568829622 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COc1cc(CNc2ncc([N+](=O)[O-])c(NC3CC3)n2)ccc1OC[C@@H]1CCCO1 ZINC000052187710 568759188 /nfs/dbraw/zinc/75/91/88/568759188.db2.gz KTMWRDRGYZAGTG-HNNXBMFYSA-N 0 0 415.450 3.138 50 5 HGBARN COc1cc([C@@H]2OC(c3cc(C)ccc3[N+](=O)[O-])=NN2C(C)=O)cc(OC)c1OC ZINC000001033045 568764109 /nfs/dbraw/zinc/76/41/09/568764109.db2.gz ATOXKWCMYBAWAN-FQEVSTJZSA-N 0 0 415.402 3.168 50 5 HGBARN CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000001053005 568765032 /nfs/dbraw/zinc/76/50/32/568765032.db2.gz UCBGLAUGKGPDFP-LJQANCHMSA-N 0 0 416.459 3.054 50 5 HGBARN CCOc1cc(C=C(C(=O)OC)C(=O)OC)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000001090581 568769154 /nfs/dbraw/zinc/76/91/54/568769154.db2.gz IWVFRBHGXHODKT-UHFFFAOYSA-N 0 0 415.398 3.302 50 5 HGBARN CS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000001146377 568772557 /nfs/dbraw/zinc/77/25/57/568772557.db2.gz QITMXBDOONHBDR-UHFFFAOYSA-N 0 0 418.258 3.306 50 5 HGBARN C[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002620868 568787623 /nfs/dbraw/zinc/78/76/23/568787623.db2.gz MIBBFDQCZUOBPA-JTQLQIEISA-N 0 0 404.839 3.343 50 5 HGBARN NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000002670044 568798978 /nfs/dbraw/zinc/79/89/78/568798978.db2.gz INAQMSBRKWXMCD-UHFFFAOYSA-N 0 0 421.818 3.408 50 5 HGBARN Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000002729663 568802876 /nfs/dbraw/zinc/80/28/76/568802876.db2.gz WEODWYJNPLQDAO-UHFFFAOYSA-N 0 0 404.810 3.427 50 5 HGBARN CC1(C)CC(=O)C(C(c2ccc([N+](=O)[O-])o2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000136979631 568820026 /nfs/dbraw/zinc/82/00/26/568820026.db2.gz YOYGWDKRXZSJGO-UHFFFAOYSA-N 0 0 403.431 3.420 50 5 HGBARN O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056945179 568821624 /nfs/dbraw/zinc/82/16/24/568821624.db2.gz ODNIOBJJKQDIJX-OAQYLSRUSA-N 0 0 420.469 3.481 50 5 HGBARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1C ZINC000001182263 568821674 /nfs/dbraw/zinc/82/16/74/568821674.db2.gz MCWWTJISCJBDPV-KRWDZBQOSA-N 0 0 401.444 3.412 50 5 HGBARN CCN(CC)C(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OC)c1C ZINC000001200115 568822798 /nfs/dbraw/zinc/82/27/98/568822798.db2.gz PIQVIGWDJBFSHD-UHFFFAOYSA-N 0 0 419.459 3.486 50 5 HGBARN CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000005838961 568825304 /nfs/dbraw/zinc/82/53/04/568825304.db2.gz FLLZELDTRFDHGV-LBPRGKRZSA-N 0 0 418.402 3.195 50 5 HGBARN Cc1ccccc1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057475481 568839277 /nfs/dbraw/zinc/83/92/77/568839277.db2.gz MLZRXCGPRJFQPS-UHFFFAOYSA-N 0 0 405.458 3.212 50 5 HGBARN Cc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n(C[C@H]2CCCO2)c1C ZINC000012535285 568845039 /nfs/dbraw/zinc/84/50/39/568845039.db2.gz ISDXMVUTSPPOPT-CQSZACIVSA-N 0 0 408.455 3.457 50 5 HGBARN CCOC(=O)C(C)(C)N(Cc1ccccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003033564 568845346 /nfs/dbraw/zinc/84/53/46/568845346.db2.gz ABWRDMFAUKAVQN-UHFFFAOYSA-N 0 0 420.487 3.436 50 5 HGBARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000012555309 568855216 /nfs/dbraw/zinc/85/52/16/568855216.db2.gz SVVQTZNPWOZIEJ-UHFFFAOYSA-N 0 0 416.381 3.380 50 5 HGBARN O=C(COC(=O)CCOc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000012555791 568855447 /nfs/dbraw/zinc/85/54/47/568855447.db2.gz XQFPKYBHHCHSPF-UHFFFAOYSA-N 0 0 423.219 3.308 50 5 HGBARN CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)Nc1cc(C)on1)c1ccccc1 ZINC000012557947 568856476 /nfs/dbraw/zinc/85/64/76/568856476.db2.gz GTJXIXSUVZLBJP-SFHVURJKSA-N 0 0 410.386 3.470 50 5 HGBARN COc1ccc(CCN(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1OC ZINC000015325671 568872629 /nfs/dbraw/zinc/87/26/29/568872629.db2.gz GUWAAEYAGWEJKC-UHFFFAOYSA-N 0 0 408.476 3.092 50 5 HGBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000057994383 568873131 /nfs/dbraw/zinc/87/31/31/568873131.db2.gz NUOXRTBCPUKSOU-UHFFFAOYSA-N 0 0 403.402 3.177 50 5 HGBARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003307509 568877505 /nfs/dbraw/zinc/87/75/05/568877505.db2.gz GPTPCFBJWYUEDA-UHFFFAOYSA-N 0 0 406.416 3.455 50 5 HGBARN Cc1ccc(NC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000015409119 568885446 /nfs/dbraw/zinc/88/54/46/568885446.db2.gz SZTFOVOAENDPHG-UHFFFAOYSA-N 0 0 400.479 3.500 50 5 HGBARN COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000058160670 568892686 /nfs/dbraw/zinc/89/26/86/568892686.db2.gz URZQLTXIKPIYFW-AWEZNQCLSA-N 0 0 418.881 3.406 50 5 HGBARN O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)NC1CCCCC1 ZINC000003383378 568892821 /nfs/dbraw/zinc/89/28/21/568892821.db2.gz BDLQJOLPSUPWII-UHFFFAOYSA-N 0 0 415.402 3.170 50 5 aggregator HGBARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000003441163 568903834 /nfs/dbraw/zinc/90/38/34/568903834.db2.gz FCLFSVHCILNFFA-UHFFFAOYSA-N 0 0 409.851 3.285 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc2ncsc2c1 ZINC000003478840 568908343 /nfs/dbraw/zinc/90/83/43/568908343.db2.gz VJHXVYISFLRNPY-SNVBAGLBSA-N 0 0 401.400 3.397 50 5 HGBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CC(Oc2ccccc2)C1 ZINC000058310728 568910117 /nfs/dbraw/zinc/91/01/17/568910117.db2.gz YXKFALQLIJINOQ-UHFFFAOYSA-N 0 0 402.350 3.156 50 5 HGBARN Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccncc1 ZINC000003578137 568916462 /nfs/dbraw/zinc/91/64/62/568916462.db2.gz VMTHMOBONQKZAY-UHFFFAOYSA-N 0 0 404.839 3.170 50 5 HGBARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000031467902 568926735 /nfs/dbraw/zinc/92/67/35/568926735.db2.gz HENCEGAPOCWUQD-UHFFFAOYSA-N 0 0 413.430 3.181 50 5 HGBARN O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000031661967 568928965 /nfs/dbraw/zinc/92/89/65/568928965.db2.gz RXGDWFKLUBZIDX-SFHVURJKSA-N 0 0 404.854 3.443 50 5 HGBARN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000031662113 568929070 /nfs/dbraw/zinc/92/90/70/568929070.db2.gz DXANAPJNZWHIKB-QGZVFWFLSA-N 0 0 409.320 3.461 50 5 HGBARN O=C(COn1nnc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)cc1C(F)(F)F ZINC000001420904 568937871 /nfs/dbraw/zinc/93/78/71/568937871.db2.gz KGVGAJKZDTWDGH-UHFFFAOYSA-N 0 0 415.715 3.079 50 5 HGBARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)[C@]31C ZINC000004073535 568937946 /nfs/dbraw/zinc/93/79/46/568937946.db2.gz BZLZGZKNFWZMIY-NRFANRHFSA-N 0 0 406.398 3.325 50 5 biogenic HGBARN CCOC(=O)C1=C(C)NC(=O)N(C(=O)Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001432273 568941078 /nfs/dbraw/zinc/94/10/78/568941078.db2.gz YXWCXUATMXLQMI-HXUWFJFHSA-N 0 0 423.425 3.268 50 5 HGBARN CCOC(=O)C1=C(C)NC(=O)N(C(=O)Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001432822 568941222 /nfs/dbraw/zinc/94/12/22/568941222.db2.gz LLDXNDAQAYKMLZ-HXUWFJFHSA-N 0 0 423.425 3.268 50 5 HGBARN CCOC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004136400 568945373 /nfs/dbraw/zinc/94/53/73/568945373.db2.gz LXTKTBPRORZVMS-CYBMUJFWSA-N 0 0 402.432 3.207 50 5 HGBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000012765351 568947839 /nfs/dbraw/zinc/94/78/39/568947839.db2.gz YPPBQVQRBIGIGD-ZDUSSCGKSA-N 0 0 414.853 3.460 50 5 HGBARN COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCc3ccccc32)cc1OC ZINC000012773136 568952600 /nfs/dbraw/zinc/95/26/00/568952600.db2.gz ZKVKGTXVVNIJDR-QGZVFWFLSA-N 0 0 400.431 3.436 50 5 HGBARN CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000007981682 568963613 /nfs/dbraw/zinc/96/36/13/568963613.db2.gz GEGLKUCWLKDPPD-OAHLLOKOSA-N 0 0 404.444 3.111 50 5 HGBARN Cc1cc(C(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)ccc1[N+](=O)[O-] ZINC000015880809 569018074 /nfs/dbraw/zinc/01/80/74/569018074.db2.gz IZIHSSHUNWZSOG-UHFFFAOYSA-N 0 0 412.427 3.016 50 5 HGBARN O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000015881988 569018936 /nfs/dbraw/zinc/01/89/36/569018936.db2.gz YBLUHLBFAMBSDK-GOSISDBHSA-N 0 0 418.402 3.272 50 5 HGBARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000012885170 569019466 /nfs/dbraw/zinc/01/94/66/569019466.db2.gz JRSVTZOXXXZWPS-UHFFFAOYSA-N 0 0 417.487 3.341 50 5 HGBARN Cc1nc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Br ZINC000016249902 569030301 /nfs/dbraw/zinc/03/03/01/569030301.db2.gz SZTSFPSPUPZFJG-UHFFFAOYSA-N 0 0 421.251 3.150 50 5 HGBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=S)Nc1ccc(F)cc1F ZINC000016345885 569031632 /nfs/dbraw/zinc/03/16/32/569031632.db2.gz FPFOUWNDNKBYFA-UHFFFAOYSA-N 0 0 413.431 3.070 50 5 HGBARN CC(=O)Nc1sc2c(c1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])CCCC2 ZINC000006325801 569043329 /nfs/dbraw/zinc/04/33/29/569043329.db2.gz SJTPDNYJUCJVIC-UHFFFAOYSA-N 0 0 417.443 3.289 50 5 HGBARN COC[C@H](CCO)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000089409710 569059516 /nfs/dbraw/zinc/05/95/16/569059516.db2.gz IXMARLFKYFXSLN-AWEZNQCLSA-N 0 0 424.837 3.176 50 5 HGBARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C(C)C)c1 ZINC000006509126 569061942 /nfs/dbraw/zinc/06/19/42/569061942.db2.gz COWWDYXDWYOWTR-SFHVURJKSA-N 0 0 419.409 3.144 50 5 HGBARN COc1cccc(-c2nc(O)c(CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])s2)c1 ZINC000006510437 569062101 /nfs/dbraw/zinc/06/21/01/569062101.db2.gz NAPLPFMAMQEVEA-MRXNPFEDSA-N 0 0 415.427 3.029 50 5 HGBARN Cc1cc(-c2c(C)nc3c(OCc4ccc([N+](=O)[O-])cc4)cccn3c2=O)nn1C ZINC000035911472 569066002 /nfs/dbraw/zinc/06/60/02/569066002.db2.gz JMLZGZOYYXLTTN-UHFFFAOYSA-N 0 0 405.414 3.199 50 5 HGBARN CC(C)CNC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000036017327 569076821 /nfs/dbraw/zinc/07/68/21/569076821.db2.gz MROLWXONGTUKSN-GFBDMGBSSA-N 0 0 403.479 3.114 50 5 HGBARN COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000006638259 569077212 /nfs/dbraw/zinc/07/72/12/569077212.db2.gz RYGULGIHTJFBFS-LBPRGKRZSA-N 0 0 420.853 3.154 50 5 HGBARN COc1ccc(-c2nc(O)c(CC(=O)Nc3cc([N+](=O)[O-])ccc3OC)s2)cc1 ZINC000006886473 569169649 /nfs/dbraw/zinc/16/96/49/569169649.db2.gz 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COc1cc(CCNC(=O)c2sccc2-n2cccc2)c([N+](=O)[O-])cc1OC ZINC000012779181 568956505 /nfs/dbraw/zinc/95/65/05/568956505.db2.gz GYJPOZWWZJNNPF-UHFFFAOYSA-N 0 0 401.444 3.437 50 5 HGBARN CSc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000015638863 568957338 /nfs/dbraw/zinc/95/73/38/568957338.db2.gz YIYFMLQOFJPDAX-CQSZACIVSA-N 0 0 415.471 3.478 50 5 HGBARN Cc1c(NC2=NN=C(c3ccc([N+](=O)[O-])cc3)CS2)c(=O)n(-c2ccccc2)n1C ZINC000015659850 568959201 /nfs/dbraw/zinc/95/92/01/568959201.db2.gz CYQONNAANMSEDT-UHFFFAOYSA-N 0 0 422.470 3.312 50 5 HGBARN O=C(Nc1ccccn1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000008403071 569001054 /nfs/dbraw/zinc/00/10/54/569001054.db2.gz KOKGUSASNIMCDI-UHFFFAOYSA-N 0 0 407.342 3.403 50 5 HGBARN O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000008408667 569001592 /nfs/dbraw/zinc/00/15/92/569001592.db2.gz CQITUVZBWLKVAM-UHFFFAOYSA-N 0 0 405.231 3.419 50 5 HGBARN COc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1[N+](=O)[O-] ZINC000012823881 569007480 /nfs/dbraw/zinc/00/74/80/569007480.db2.gz NQHOYUNGOUPCQK-UHFFFAOYSA-N 0 0 411.458 3.325 50 5 HGBARN Cc1nc(CN2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cs1 ZINC000012913594 569022011 /nfs/dbraw/zinc/02/20/11/569022011.db2.gz AJVWQMBNTXFIKH-LBPRGKRZSA-N 0 0 423.926 3.158 50 5 HGBARN O=C(CCN1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026249855 569030700 /nfs/dbraw/zinc/03/07/00/569030700.db2.gz ZRBILMKIYZPTEC-UHFFFAOYSA-N 0 0 408.911 3.456 50 5 HGBARN Cc1ccc(C)c(OCCOC(=O)c2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000016318880 569031330 /nfs/dbraw/zinc/03/13/30/569031330.db2.gz SPPRSXFNHKATMM-UHFFFAOYSA-N 0 0 400.431 3.284 50 5 HGBARN CCOC(=O)[C@H]1CS[C@@H](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000035636017 569046713 /nfs/dbraw/zinc/04/67/13/569046713.db2.gz ZVYIJXLMBWCGHP-MOPGFXCFSA-N 0 0 402.472 3.311 50 5 in-vitro HGBARN CCOC(=O)[C@@H]1CS[C@@H](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000035636015 569046717 /nfs/dbraw/zinc/04/67/17/569046717.db2.gz ZVYIJXLMBWCGHP-OALUTQOASA-N 0 0 402.472 3.311 50 5 in-vitro HGBARN CCCOc1ccc(-c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 ZINC000001763884 569052172 /nfs/dbraw/zinc/05/21/72/569052172.db2.gz CTCRQEJWSMQTHI-ATVHPVEESA-N 0 0 408.439 3.063 50 5 HGBARN CC(C)Oc1ccc(-c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 ZINC000001844261 569056490 /nfs/dbraw/zinc/05/64/90/569056490.db2.gz GXGYYNWFHZEWBY-BOPFTXTBSA-N 0 0 408.439 3.061 50 5 HGBARN Nc1nc(NC2CCCCC2)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000054147615 569059841 /nfs/dbraw/zinc/05/98/41/569059841.db2.gz YDKHMWLTXFEPEH-UHFFFAOYSA-N 0 0 411.510 3.034 50 5 HGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCCCOc1ccccc1 ZINC000006546069 569064793 /nfs/dbraw/zinc/06/47/93/569064793.db2.gz BLNMMTHFTIHQIT-UHFFFAOYSA-N 0 0 406.460 3.227 50 5 HGBARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006582591 569067922 /nfs/dbraw/zinc/06/79/22/569067922.db2.gz MQNSFNJKQNKOPT-UHFFFAOYSA-N 0 0 419.459 3.030 50 5 HGBARN C[C@@H](OC(=O)c1cccc2c1OCCN2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000089553075 569070188 /nfs/dbraw/zinc/07/01/88/569070188.db2.gz FTAOLTKZYNSLTB-SNVBAGLBSA-N 0 0 405.794 3.237 50 5 HGBARN CCC(=O)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000036010072 569075668 /nfs/dbraw/zinc/07/56/68/569075668.db2.gz YPQSAMZHJZREOM-NRFANRHFSA-N 0 0 412.490 3.365 50 5 HGBARN CC(C)C(=O)N(CC(=O)N1CCn2cccc2[C@H]1c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000006773963 569118729 /nfs/dbraw/zinc/11/87/29/569118729.db2.gz ZPZLFIGTBZGBHB-OAQYLSRUSA-N 0 0 412.490 3.221 50 5 HGBARN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=S)Nc2ccc(F)cc2F)CC1 ZINC000036847654 569229728 /nfs/dbraw/zinc/22/97/28/569229728.db2.gz UNOYSNHKUQOOSN-UHFFFAOYSA-N 0 0 412.443 3.089 50 5 HGBARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000007309538 569233116 /nfs/dbraw/zinc/23/31/16/569233116.db2.gz KZFDYNACBGCPPV-MRXNPFEDSA-N 0 0 404.444 3.200 50 5 HGBARN Cc1ccc(Oc2cc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)ncn2)cc1 ZINC000037342225 569261137 /nfs/dbraw/zinc/26/11/37/569261137.db2.gz MWVDFIFSHDPJDV-UHFFFAOYSA-N 0 0 419.441 3.448 50 5 HGBARN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000089904914 569268221 /nfs/dbraw/zinc/26/82/21/569268221.db2.gz GKUNXMVZNPPOBF-CCGUKBGLSA-N 0 0 402.881 3.025 50 5 HGBARN CCOC(=O)C1C(C)=Nc2nc(-c3ccncc3)nn2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000017087289 569273113 /nfs/dbraw/zinc/27/31/13/569273113.db2.gz IHXFSSCETBZFCV-QGZVFWFLSA-N 0 0 406.402 3.100 50 5 HGBARN COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000002093329 569280667 /nfs/dbraw/zinc/28/06/67/569280667.db2.gz FBJUYZPYYNXGOB-UHFFFAOYSA-N 0 0 406.199 3.456 50 5 HGBARN Cc1nc([C@@H](C)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])no1 ZINC000170682461 569298424 /nfs/dbraw/zinc/29/84/24/569298424.db2.gz MBFXSBDUGSVPIQ-GFCCVEGCSA-N 0 0 409.468 3.024 50 5 HGBARN Cc1c(N2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000002315029 569373358 /nfs/dbraw/zinc/37/33/58/569373358.db2.gz REZYKVBAWWFODM-HXUWFJFHSA-N 0 0 410.455 3.171 50 5 HGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1I ZINC000009526080 569393494 /nfs/dbraw/zinc/39/34/94/569393494.db2.gz OJZGUVHFXXZZPJ-UHFFFAOYSA-N 0 0 418.212 3.309 50 5 HGBARN CCCn1cnc2c(c3nc4ccccc4nc3n2Cc2ccc3c(c2)OCO3)c1=O ZINC000002409823 569396597 /nfs/dbraw/zinc/39/65/97/569396597.db2.gz USWGJCDFSNWWQB-UHFFFAOYSA-N 0 0 413.437 3.481 50 5 HGBARN COC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000012950523 569405156 /nfs/dbraw/zinc/40/51/56/569405156.db2.gz GHVMRMFQDCQOQD-AWEZNQCLSA-N 0 0 410.407 3.037 50 5 HGBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000013002490 569406282 /nfs/dbraw/zinc/40/62/82/569406282.db2.gz CLVBNUFSWCIQMX-UONOGXRCSA-N 0 0 417.487 3.139 50 5 HGBARN Cc1ccc(NC(=O)/C=C/c2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000013018595 569407410 /nfs/dbraw/zinc/40/74/10/569407410.db2.gz BNSCDDMVESHROX-UXBLZVDNSA-N 0 0 401.444 3.095 50 5 HGBARN C[C@@H](NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 ZINC000013040291 569407707 /nfs/dbraw/zinc/40/77/07/569407707.db2.gz DUMOYNRQMGGHRC-OAHLLOKOSA-N 0 0 402.882 3.248 50 5 HGBARN CN1CCN(C(=O)CCc2ccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1 ZINC000019537338 569422296 /nfs/dbraw/zinc/42/22/96/569422296.db2.gz ANCLARLPQXUSMF-UHFFFAOYSA-N 0 0 414.418 3.002 50 5 HGBARN Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000019827963 569430867 /nfs/dbraw/zinc/43/08/67/569430867.db2.gz RVXNJUVKTIAOTR-UHFFFAOYSA-N 0 0 405.462 3.033 50 5 HGBARN CN(N[C@@H]1OC(=O)c2ccccc21)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000008616600 571094350 /nfs/dbraw/zinc/09/43/50/571094350.db2.gz HOJVUCIWXJYJBS-CQSZACIVSA-N 0 0 412.280 3.332 50 5 HGBARN CS(=O)(=O)c1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000008710855 571102568 /nfs/dbraw/zinc/10/25/68/571102568.db2.gz BBPCEJJJTOVRFX-UHFFFAOYSA-N 0 0 417.365 3.068 50 5 HGBARN C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cn2)C[C@@H](C)O1 ZINC000040142629 571193297 /nfs/dbraw/zinc/19/32/97/571193297.db2.gz ZTIRJNYVHBRZFY-HUUCEWRRSA-N 0 0 422.445 3.041 50 5 HGBARN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1nc2sccn2c1[N+](=O)[O-] ZINC000040155567 571202670 /nfs/dbraw/zinc/20/26/70/571202670.db2.gz MNPQQFYPQRWGOI-NSHDSACASA-N 0 0 416.381 3.199 50 5 HGBARN Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000040155779 571202988 /nfs/dbraw/zinc/20/29/88/571202988.db2.gz NQZGHKZHQSTAAT-LSDHHAIUSA-N 0 0 413.496 3.017 50 5 HGBARN CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(=O)oc1C(F)(F)F ZINC000009453205 571260126 /nfs/dbraw/zinc/26/01/26/571260126.db2.gz MBUUDKNNMJPRSN-UHFFFAOYSA-N 0 0 414.292 3.304 50 5 HGBARN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccn(OCc2ccc(F)cc2)c1=O ZINC000009599666 571272773 /nfs/dbraw/zinc/27/27/73/571272773.db2.gz GGOPRKBGEZWRKP-UHFFFAOYSA-N 0 0 417.780 3.430 50 5 HGBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000001143194 132238906 /nfs/dbraw/zinc/23/89/06/132238906.db2.gz CNCDYIHKIVMQQC-UHFFFAOYSA-N 0 0 416.286 3.413 50 5 HGBARN Cc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000004688535 132283713 /nfs/dbraw/zinc/28/37/13/132283713.db2.gz HWDCBFDCWPYLHY-UHFFFAOYSA-N 0 0 418.906 3.394 50 5 HGBARN COc1ccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000005041700 132299189 /nfs/dbraw/zinc/29/91/89/132299189.db2.gz KJUKOJHDWSRCEL-UHFFFAOYSA-N 0 0 402.476 3.131 50 5 HGBARN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000008904405 132333919 /nfs/dbraw/zinc/33/39/19/132333919.db2.gz XCOGCFRGMDQSKP-UHFFFAOYSA-N 0 0 420.853 3.398 50 5 HGBARN C[C@@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000012563386 132364234 /nfs/dbraw/zinc/36/42/34/132364234.db2.gz UYXBXXLLCOIWQV-CQSZACIVSA-N 0 0 402.882 3.491 50 5 HGBARN Cc1ccc(-c2noc(CCCN3CCN(c4ncccc4[N+](=O)[O-])CC3)n2)cc1 ZINC000024660974 132484302 /nfs/dbraw/zinc/48/43/02/132484302.db2.gz QJMKOEUROOATSM-UHFFFAOYSA-N 0 0 408.462 3.103 50 5 HGBARN CCOC(=O)C1=C(C)N[C@H](c2ccccc2[N+](=O)[O-])N[C@H]1c1ccccc1[N+](=O)[O-] ZINC000019872862 520506615 /nfs/dbraw/zinc/50/66/15/520506615.db2.gz SWGJSVWPFFSGRV-OALUTQOASA-N 0 0 412.402 3.273 50 5 HGBARN CCOC(=O)COc1ccc([C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000032916077 520801926 /nfs/dbraw/zinc/80/19/26/520801926.db2.gz YSUKYSDRFZZRPO-ZDUSSCGKSA-N 0 0 402.403 3.036 50 5 HGBARN COCC(=O)Nc1cccc(CNC(=O)c2cc(Cl)c(Cl)c([N+](=O)[O-])c2)c1 ZINC000032809532 522788729 /nfs/dbraw/zinc/78/87/29/522788729.db2.gz RVZQAGIGWJLSMW-UHFFFAOYSA-N 0 0 412.229 3.417 50 5 HGBARN COc1ccc(S(=O)(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000032869636 525004409 /nfs/dbraw/zinc/00/44/09/525004409.db2.gz TUNMWSADQLWRFP-UHFFFAOYSA-N 0 0 400.840 3.086 50 5 HGBARN C[C@@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCO2 ZINC000032777367 525124799 /nfs/dbraw/zinc/12/47/99/525124799.db2.gz XMSJXJZFCNHVHQ-SNVBAGLBSA-N 0 0 401.400 3.434 50 5 HGBARN Cc1ccc2nc3c(C(=O)N4CCN(Cc5ccccc5)CC4)cccn3c(=O)c2c1 ZINC000040455688 526256238 /nfs/dbraw/zinc/25/62/38/526256238.db2.gz MIEQZKNPIUMXFW-UHFFFAOYSA-N 0 0 412.493 3.114 50 5 HGBARN O=C(NCCNc1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000032817002 526339441 /nfs/dbraw/zinc/33/94/41/526339441.db2.gz XCKPGKTUOIZMQO-UHFFFAOYSA-N 0 0 420.351 3.036 50 5 HGBARN Cc1sc(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000032924972 526871658 /nfs/dbraw/zinc/87/16/58/526871658.db2.gz XZWSAKIAOUNRSS-UHFFFAOYSA-N 0 0 401.488 3.318 50 5 HGBARN O=c1c2cc3c(ccn(C[C@H]4CCCO4)c3=O)nc2ccn1CCc1ccccc1 ZINC000040398852 527462763 /nfs/dbraw/zinc/46/27/63/527462763.db2.gz LERAQHPGTIXCMN-GOSISDBHSA-N 0 0 401.466 3.133 50 5 HGBARN O=C(NC1CC1)c1ccc(NC[C@H](c2cccs2)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000032869560 527495388 /nfs/dbraw/zinc/49/53/88/527495388.db2.gz 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O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000013856670 558886821 /nfs/dbraw/zinc/88/68/21/558886821.db2.gz VCYFZFNUFRZXJS-ZDUSSCGKSA-N 0 0 402.790 3.027 50 5 HGBARN O=C(NC(=S)Nc1cccnc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000013946204 558984959 /nfs/dbraw/zinc/98/49/59/558984959.db2.gz KYMSCSXUVWDICG-UHFFFAOYSA-N 0 0 405.867 3.370 50 5 HGBARN CCCCC(=O)NN1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c32)C1=O ZINC000098087102 559065421 /nfs/dbraw/zinc/06/54/21/559065421.db2.gz QUEGIUJTLGCMDU-UHFFFAOYSA-N 0 0 420.219 3.328 50 5 HGBARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000014095692 559150697 /nfs/dbraw/zinc/15/06/97/559150697.db2.gz SFRMVDMPTRZCRO-LJQANCHMSA-N 0 0 409.446 3.261 50 5 HGBARN O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1cccnc1Cl ZINC000004840184 559167165 /nfs/dbraw/zinc/16/71/65/559167165.db2.gz SAPSSADDRYCKBF-UHFFFAOYSA-N 0 0 404.810 3.039 50 5 HGBARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 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Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000022226603 568765491 /nfs/dbraw/zinc/76/54/91/568765491.db2.gz XMPKSVZOVNYIEW-UHFFFAOYSA-N 0 0 400.460 3.348 50 5 HGBARN CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(=O)OC)c1C ZINC000001113188 568770606 /nfs/dbraw/zinc/77/06/06/568770606.db2.gz XOWJULPICLFHOY-UHFFFAOYSA-N 0 0 419.459 3.486 50 5 HGBARN COC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 ZINC000001118117 568770838 /nfs/dbraw/zinc/77/08/38/568770838.db2.gz NNTFXJOJOXTEEI-UHFFFAOYSA-N 0 0 408.410 3.308 50 5 HGBARN O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000001119216 568771016 /nfs/dbraw/zinc/77/10/16/568771016.db2.gz LOWFMXNQDIAODS-UHFFFAOYSA-N 0 0 406.489 3.188 50 5 HGBARN COc1ccc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000002501337 568777114 /nfs/dbraw/zinc/77/71/14/568777114.db2.gz RBSVHUTZHFOUJE-QGZVFWFLSA-N 0 0 410.473 3.048 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 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CC(=O)Nc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2c1 ZINC000003065007 568852596 /nfs/dbraw/zinc/85/25/96/568852596.db2.gz ITMSXKRAKITXHH-UHFFFAOYSA-N 0 0 401.360 3.323 50 5 HGBARN Cc1nn(CC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c(C)c1[N+](=O)[O-] ZINC000003429045 568859046 /nfs/dbraw/zinc/85/90/46/568859046.db2.gz KVQOKUMYUWVXBK-UHFFFAOYSA-N 0 0 422.467 3.330 50 5 HGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(Br)o1 ZINC000003228669 568864639 /nfs/dbraw/zinc/86/46/39/568864639.db2.gz VMTQYUXQZHPXJO-QMMMGPOBSA-N 0 0 413.180 3.143 50 5 HGBARN O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000003257119 568868461 /nfs/dbraw/zinc/86/84/61/568868461.db2.gz FFTBGPXVRJDKQD-LADGPHEKSA-N 0 0 420.465 3.328 50 5 HGBARN CCOC(=O)c1sc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1C ZINC000003275391 568870880 /nfs/dbraw/zinc/87/08/80/568870880.db2.gz BMYHNLWAIKKNAD-UHFFFAOYSA-N 0 0 423.472 3.277 50 5 HGBARN CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004036018 568879559 /nfs/dbraw/zinc/87/95/59/568879559.db2.gz FPCUGYRNDHBOIE-SFHVURJKSA-N 0 0 416.459 3.054 50 5 HGBARN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccc(O)cc2)CC1 ZINC000058160403 568892690 /nfs/dbraw/zinc/89/26/90/568892690.db2.gz WPDMFZCUBMKEQO-ZDUSSCGKSA-N 0 0 404.854 3.103 50 5 HGBARN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccc(O)cc2)CC1 ZINC000058160405 568892751 /nfs/dbraw/zinc/89/27/51/568892751.db2.gz WPDMFZCUBMKEQO-CYBMUJFWSA-N 0 0 404.854 3.103 50 5 HGBARN O=C(COC(=O)CSc1nc2ccccc2o1)Nc1cc([N+](=O)[O-])ccc1F ZINC000003431425 568901963 /nfs/dbraw/zinc/90/19/63/568901963.db2.gz DNKQXCCRWOYTDN-UHFFFAOYSA-N 0 0 405.363 3.149 50 5 HGBARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000003449084 568905130 /nfs/dbraw/zinc/90/51/30/568905130.db2.gz QZIIMAMAACIXGM-UHFFFAOYSA-N 0 0 405.838 3.423 50 5 HGBARN Nn1c(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000012655953 568906796 /nfs/dbraw/zinc/90/67/96/568906796.db2.gz YLDVFKSRNGQUIT-UHFFFAOYSA-N 0 0 422.829 3.090 50 5 HGBARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O ZINC000003596033 568918493 /nfs/dbraw/zinc/91/84/93/568918493.db2.gz QQQMWWFNUJURGL-NRFANRHFSA-N 0 0 410.430 3.089 50 5 HGBARN Cc1oc(-c2ccccc2)nc1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000031295571 568922438 /nfs/dbraw/zinc/92/24/38/568922438.db2.gz GPKZERMBXRHERD-UHFFFAOYSA-N 0 0 406.442 3.450 50 5 HGBARN CCOC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004136402 568945392 /nfs/dbraw/zinc/94/53/92/568945392.db2.gz LXTKTBPRORZVMS-ZDUSSCGKSA-N 0 0 402.432 3.207 50 5 HGBARN Cc1ccc(Sc2ccc(C(=O)OCC(=O)N3CCCC3=O)cc2[N+](=O)[O-])cc1 ZINC000007986078 568964738 /nfs/dbraw/zinc/96/47/38/568964738.db2.gz MONDVDPYDJLPIP-UHFFFAOYSA-N 0 0 414.439 3.360 50 5 HGBARN O=C(c1ccccc1I)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000001443705 568968885 /nfs/dbraw/zinc/96/88/85/568968885.db2.gz RGZZXRWUECOUHS-UHFFFAOYSA-N 0 0 411.151 3.202 50 5 HGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Nc1ccc2c(c1)OCO2 ZINC000006045361 568980097 /nfs/dbraw/zinc/98/00/97/568980097.db2.gz AHZCEZGUALNMHG-UHFFFAOYSA-N 0 0 405.432 3.242 50 5 HGBARN O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000001445186 568983465 /nfs/dbraw/zinc/98/34/65/568983465.db2.gz VKTPTTLLUWWEDK-UHFFFAOYSA-N 0 0 423.406 3.196 50 5 HGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000015737729 568986982 /nfs/dbraw/zinc/98/69/82/568986982.db2.gz AWAYMMAJQLTWFH-UHFFFAOYSA-N 0 0 417.487 3.341 50 5 HGBARN Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000012907199 569021344 /nfs/dbraw/zinc/02/13/44/569021344.db2.gz ZXHJQKQUEBLCLH-UHFFFAOYSA-N 0 0 417.487 3.008 50 5 HGBARN O=C(CSc1ncnc2sccc21)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016050944 569028360 /nfs/dbraw/zinc/02/83/60/569028360.db2.gz PXSOAYUCYXKYAG-UHFFFAOYSA-N 0 0 419.440 3.302 50 5 HGBARN COC(=O)Cc1c(C)c2ccc(OCc3cc([N+](=O)[O-])ccc3OC)cc2oc1=O ZINC000001758434 569051857 /nfs/dbraw/zinc/05/18/57/569051857.db2.gz ZVYZBDSFJYWFQM-UHFFFAOYSA-N 0 0 413.382 3.313 50 5 biogenic HGBARN CC(C)c1ccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000006552358 569065293 /nfs/dbraw/zinc/06/52/93/569065293.db2.gz DKDRBGGJHQSARC-UHFFFAOYSA-N 0 0 420.487 3.318 50 5 HGBARN CCC(=O)N(C)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000035946582 569067464 /nfs/dbraw/zinc/06/74/64/569067464.db2.gz DUJFZCVXBZIWOJ-IBGZPJMESA-N 0 0 412.421 3.280 50 5 HGBARN O=C(CCCCCN1C(=O)c2ccccc2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002067948 569072907 /nfs/dbraw/zinc/07/29/07/569072907.db2.gz TYEJDONNFDFOPU-UHFFFAOYSA-N 0 0 424.409 3.177 50 5 HGBARN CCOc1ncccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000006613111 569074298 /nfs/dbraw/zinc/07/42/98/569074298.db2.gz MEKYQRPULUBLHZ-UHFFFAOYSA-N 0 0 413.308 3.203 50 5 HGBARN Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3[N+](=O)[O-])C(=O)[C@H]2C)cc1 ZINC000006640087 569077985 /nfs/dbraw/zinc/07/79/85/569077985.db2.gz MCRXSOHMTNNHFP-OAHLLOKOSA-N 0 0 410.430 3.316 50 5 HGBARN CCCCCCn1c(=O)[nH]c2nc3cc(NC(=O)c4ccccc4)ccc3nc2c1=O ZINC000006733134 569103770 /nfs/dbraw/zinc/10/37/70/569103770.db2.gz FRQNTTLBOWRAQG-UHFFFAOYSA-N 0 0 417.469 3.466 50 5 HGBARN CC[C@@H](C)NC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000006835155 569148957 /nfs/dbraw/zinc/14/89/57/569148957.db2.gz NHXIWGLIOILAMP-YTISVTONSA-N 0 0 403.479 3.257 50 5 HGBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CCSc2ccccc2)CC1 ZINC000036397126 569170176 /nfs/dbraw/zinc/17/01/76/569170176.db2.gz GQQHWYHXDQKDMP-UHFFFAOYSA-N 0 0 401.488 3.296 50 5 HGBARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000010218235 569253656 /nfs/dbraw/zinc/25/36/56/569253656.db2.gz PHTJKUCUEQVHFB-UHFFFAOYSA-N 0 0 405.457 3.397 50 5 HGBARN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000089904915 569268194 /nfs/dbraw/zinc/26/81/94/569268194.db2.gz GKUNXMVZNPPOBF-VKTRGTBVSA-N 0 0 402.881 3.025 50 5 HGBARN C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2[N+](=O)[O-])C1 ZINC000252457640 569286418 /nfs/dbraw/zinc/28/64/18/569286418.db2.gz YMEWEXCLVRAVFZ-WBVHZDCISA-N 0 0 411.458 3.401 50 5 HGBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000007594496 569286985 /nfs/dbraw/zinc/28/69/85/569286985.db2.gz NTTJGTTXGFDNBS-UHFFFAOYSA-N 0 0 412.333 3.104 50 5 HGBARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C(C)C)c1 ZINC000027340353 569293810 /nfs/dbraw/zinc/29/38/10/569293810.db2.gz DJJOMJZIZQAOLB-SFHVURJKSA-N 0 0 401.419 3.005 50 5 HGBARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000007759118 569307287 /nfs/dbraw/zinc/30/72/87/569307287.db2.gz ODPSXGBSWVZEDR-UHFFFAOYSA-N 0 0 408.823 3.119 50 5 HGBARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000015168912 569319236 /nfs/dbraw/zinc/31/92/36/569319236.db2.gz KGCBIDNRZSKJDC-UHFFFAOYSA-N 0 0 421.457 3.055 50 5 HGBARN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)s1 ZINC000253418464 569367560 /nfs/dbraw/zinc/36/75/60/569367560.db2.gz QVLOCKYDOSHGSJ-RBSFLKMASA-N 0 0 408.501 3.069 50 5 HGBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(Br)cc1 ZINC000054959696 569368994 /nfs/dbraw/zinc/36/89/94/569368994.db2.gz CQQKNNLFYGKTDM-UHFFFAOYSA-N 0 0 419.279 3.118 50 5 HGBARN CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl ZINC000012413987 569400892 /nfs/dbraw/zinc/40/08/92/569400892.db2.gz YQFQTDXYGVPYFT-UHFFFAOYSA-N 0 0 418.258 3.404 50 5 HGBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000012787672 569403408 /nfs/dbraw/zinc/40/34/08/569403408.db2.gz KCNYRSXRFPMUKN-QGZVFWFLSA-N 0 0 409.320 3.461 50 5 HGBARN CCOc1cc2c(cc1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000012985329 569405839 /nfs/dbraw/zinc/40/58/39/569405839.db2.gz USDDFPSNNAYINA-NSHDSACASA-N 0 0 400.387 3.356 50 5 HGBARN CSc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000012996235 569406064 /nfs/dbraw/zinc/40/60/64/569406064.db2.gz AOWGNYMARWYQPI-UHFFFAOYSA-N 0 0 401.488 3.079 50 5 HGBARN Cc1cc(N[C@H]2CCN(C(=O)c3ccccn3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000079111732 569428141 /nfs/dbraw/zinc/42/81/41/569428141.db2.gz KESAGBTYVINRLX-INIZCTEOSA-N 0 0 404.430 3.082 50 5 HGBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000008790882 571119783 /nfs/dbraw/zinc/11/97/83/571119783.db2.gz PMAYMIVFKSXGCI-UHFFFAOYSA-N 0 0 423.410 3.019 50 5 HGBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC[C@@H](O)c1ccccc1F ZINC000040083189 571156493 /nfs/dbraw/zinc/15/64/93/571156493.db2.gz UDASKYVLRVHHFT-CQSZACIVSA-N 0 0 408.329 3.173 50 5 HGBARN COc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cccc([N+](=O)[O-])c4)C3=O)co2)cc1 ZINC000040092773 571161512 /nfs/dbraw/zinc/16/15/12/571161512.db2.gz OPBALNLRUNRYAZ-OAQYLSRUSA-N 0 0 422.397 3.226 50 5 HGBARN Cc1c(CSc2nnc(CN3CCCC3=O)n2-c2ccccn2)cccc1[N+](=O)[O-] ZINC000040127660 571179210 /nfs/dbraw/zinc/17/92/10/571179210.db2.gz VTPDXPWZVMTXSY-UHFFFAOYSA-N 0 0 424.486 3.294 50 5 HGBARN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000040127953 571179445 /nfs/dbraw/zinc/17/94/45/571179445.db2.gz ADNNTLNRYIJKDK-UHFFFAOYSA-N 0 0 412.358 3.444 50 5 HGBARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCCc3ccc(O)cc3)c([N+](=O)[O-])c2)C1 ZINC000040155560 571202655 /nfs/dbraw/zinc/20/26/55/571202655.db2.gz USJHODMQJQIAPL-OAHLLOKOSA-N 0 0 419.503 3.376 50 5 HGBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000009439496 571259010 /nfs/dbraw/zinc/25/90/10/571259010.db2.gz OGMTXRCPKXOONP-UHFFFAOYSA-N 0 0 414.399 3.413 50 5 HGBARN COc1ccc(NC(=O)c2ccccc2NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000009487255 571262515 /nfs/dbraw/zinc/26/25/15/571262515.db2.gz SJYVUYJNKDWDFM-UHFFFAOYSA-N 0 0 423.429 3.308 50 5 HGBARN CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1Cl ZINC000009491187 571262756 /nfs/dbraw/zinc/26/27/56/571262756.db2.gz VCXIQYILESXERG-UHFFFAOYSA-N 0 0 418.258 3.404 50 5 HGBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000009544368 571267506 /nfs/dbraw/zinc/26/75/06/571267506.db2.gz GQFVFYXTZILMLT-UHFFFAOYSA-N 0 0 400.822 3.369 50 5 HGBARN Nc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] ZINC000009580017 571270409 /nfs/dbraw/zinc/27/04/09/571270409.db2.gz SRJYUQVXHJSQJA-UHFFFAOYSA-N 0 0 416.390 3.235 50 5 HGBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccn(OCc2ccc(F)cc2)c1=O ZINC000009599663 571272709 /nfs/dbraw/zinc/27/27/09/571272709.db2.gz UNBLYAAUZCLJIP-UHFFFAOYSA-N 0 0 417.780 3.430 50 5 HGBARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O ZINC000009714602 571281479 /nfs/dbraw/zinc/28/14/79/571281479.db2.gz KSDAWAWTVOZFOG-LJQANCHMSA-N 0 0 417.805 3.082 50 5 HGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C(=O)NCc1ccco1 ZINC000009728007 571282715 /nfs/dbraw/zinc/28/27/15/571282715.db2.gz PTDRLXGOUCHLPY-UHFFFAOYSA-N 0 0 424.413 3.177 50 5 HGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O ZINC000009778695 571285001 /nfs/dbraw/zinc/28/50/01/571285001.db2.gz UOENKLIVVKRGHY-JOCHJYFZSA-N 0 0 424.457 3.432 50 5 HGBARN Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)ccc1[N+](=O)[O-] ZINC000009963167 571292971 /nfs/dbraw/zinc/29/29/71/571292971.db2.gz IONVTXFKUZHQHY-UHFFFAOYSA-N 0 0 423.516 3.069 50 5 HGBARN CS(=O)(=O)c1ccc2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009111509 571310032 /nfs/dbraw/zinc/31/00/32/571310032.db2.gz VKRDDWOCODWNCD-VMPITWQZSA-N 0 0 403.441 3.260 50 5 HGBARN