smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C(C)c3ccccc3N1[C@@H]2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000008990787 194497373 /nfs/dbraw/zinc/49/73/73/194497373.db2.gz QLOIBOOOXUQHLZ-JAGQFSKZSA-N 0 0 459.502 3.852 40 5 JHBBRN O=C(CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000008989913 194496742 /nfs/dbraw/zinc/49/67/42/194496742.db2.gz YKRIGZNKZRSTON-UHFFFAOYSA-N 0 0 463.450 3.582 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c(C)cc3cc4c(cc3n12)OCCO4 ZINC000012470273 522979070 /nfs/dbraw/zinc/97/90/70/522979070.db2.gz XEWSQIHFZNQDPM-UHFFFAOYSA-N 0 0 481.490 3.610 40 5 JHBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(O)cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000019075519 526425845 /nfs/dbraw/zinc/42/58/45/526425845.db2.gz TYPURUKJXUUNJX-UHFFFAOYSA-N 0 0 452.375 3.923 40 5 JHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[nH]c(=O)c21 ZINC000040399560 527375456 /nfs/dbraw/zinc/37/54/56/527375456.db2.gz QGXSBBYRBRCORE-LBPRGKRZSA-N 0 0 489.275 3.793 40 5 JHBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000044901259 527388058 /nfs/dbraw/zinc/38/80/58/527388058.db2.gz UIETUZXJXCISBW-UHFFFAOYSA-N 0 0 481.939 3.991 40 5 JHBBRN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1ccccc1 ZINC000002329503 554150869 /nfs/dbraw/zinc/15/08/69/554150869.db2.gz RDBXRFOLKKAKLB-OLKYXYMISA-N 0 0 465.465 3.993 40 5 JHBBRN COc1ccc2c3nccc4c5cc(OCC(=O)NCC(C)C)ccc5n(c43)c(=O)c2c1OC ZINC000008792407 554686034 /nfs/dbraw/zinc/68/60/34/554686034.db2.gz FHKAUNYNZJRFLK-UHFFFAOYSA-N 0 0 459.502 3.760 40 5 biogenic JHBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000009209964 554979335 /nfs/dbraw/zinc/97/93/35/554979335.db2.gz ABYRMNMCPPHIFQ-HBMCJLEFSA-N 0 0 460.402 3.554 40 5 JHBBRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 ZINC000013673316 555564860 /nfs/dbraw/zinc/56/48/60/555564860.db2.gz IDMNHBYOZSPHTN-UHFFFAOYSA-N 0 0 497.529 3.914 40 5 JHBBRN Cc1ccc([C@@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020049343 555618798 /nfs/dbraw/zinc/61/87/98/555618798.db2.gz CCUQAPFCQZPKHO-QHCPKHFHSA-N 0 0 453.520 3.575 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1c(F)cccc1Cl)S(C)(=O)=O ZINC000010336226 555691322 /nfs/dbraw/zinc/69/13/22/555691322.db2.gz DKIFTEZCGGMQNM-UHFFFAOYSA-N 0 0 489.978 3.511 40 5 JHBBRN CCOC(=O)c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1C ZINC000010442511 555711678 /nfs/dbraw/zinc/71/16/78/555711678.db2.gz DNJZIBYACGJVQX-UHFFFAOYSA-N 0 0 497.529 3.914 40 5 JHBBRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000014270971 555764434 /nfs/dbraw/zinc/76/44/34/555764434.db2.gz WCMFFIZYAZDIFT-UHFFFAOYSA-N 0 0 450.455 3.903 40 5 JHBBRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nn12 ZINC000014271422 555766349 /nfs/dbraw/zinc/76/63/49/555766349.db2.gz QGNDMWVDUQOYPR-UHFFFAOYSA-N 0 0 453.509 3.505 40 5 JHBBRN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014272683 555770726 /nfs/dbraw/zinc/77/07/26/555770726.db2.gz OPGPTWVARWWPCP-UHFFFAOYSA-N 0 0 462.441 3.557 40 5 JHBBRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)c1ccco1 ZINC000022529420 555931219 /nfs/dbraw/zinc/93/12/19/555931219.db2.gz XSEAGWRJDDOEBB-UHFFFAOYSA-N 0 0 450.451 3.837 40 5 JHBBRN O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022713729 555946836 /nfs/dbraw/zinc/94/68/36/555946836.db2.gz RYOATALVSZKACF-UHFFFAOYSA-N 0 0 477.546 3.544 40 5 JHBBRN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022748175 555951769 /nfs/dbraw/zinc/95/17/69/555951769.db2.gz PZMSSPNDGQDUDQ-UHFFFAOYSA-N 0 0 489.985 3.812 40 5 JHBBRN Cc1c(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000016250188 556131422 /nfs/dbraw/zinc/13/14/22/556131422.db2.gz BHOPPRJFWFVBDV-UHFFFAOYSA-N 0 0 453.520 3.775 40 5 JHBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000018155767 556295522 /nfs/dbraw/zinc/29/55/22/556295522.db2.gz CEFWHDCPWNQIKV-VABKMULXSA-N 0 0 475.457 3.663 40 5 JHBBRN O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)cc1 ZINC000032508690 556443498 /nfs/dbraw/zinc/44/34/98/556443498.db2.gz XRCIDIDUFSYNLX-ROUUACIJSA-N 0 0 451.957 3.519 40 5 JHBBRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)CC2)cc1 ZINC000057317185 569598476 /nfs/dbraw/zinc/59/84/76/569598476.db2.gz OWZUHZLDIQPQED-UHFFFAOYSA-N 0 0 490.516 3.827 40 5 JHBBRN Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 ZINC000033664057 569630207 /nfs/dbraw/zinc/63/02/07/569630207.db2.gz TYSVUMROXXMUBH-UHFFFAOYSA-N 0 0 467.595 3.730 40 5 JHBBRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CCCCC2)cc1OC ZINC000034689088 569645646 /nfs/dbraw/zinc/64/56/46/569645646.db2.gz NRVQGQFCNOECEE-UHFFFAOYSA-N 0 0 491.566 3.883 40 5 JHBBRN COc1cc2ccccc2cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000034882443 569668828 /nfs/dbraw/zinc/66/88/28/569668828.db2.gz OSMNBVVBPMRMNQ-UHFFFAOYSA-N 0 0 476.533 3.556 40 5 JHBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(F)cc3)N3N=Cc4ccccc4[C@H]23)C1O ZINC000101343975 569793790 /nfs/dbraw/zinc/79/37/90/569793790.db2.gz ROWCZIRSIKFAAQ-YCAMKHIRSA-N 0 0 498.470 3.804 40 5 JHBBRN CN1C(=S)S[C@@H](N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]2c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000102724453 569817510 /nfs/dbraw/zinc/81/75/10/569817510.db2.gz XCPXSWDILTVGFP-DCXXXQMHSA-N 0 0 498.586 3.510 40 5 JHBBRN Cc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1[N+](=O)[O-] ZINC000040372748 569824258 /nfs/dbraw/zinc/82/42/58/569824258.db2.gz DVWYAEPNQGFHEC-NRFANRHFSA-N 0 0 456.462 3.765 40 5 JHBBRN CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn([C@H]4CCCC[C@@H]4C)c(=O)c3cc2c1=O ZINC000040399096 569826166 /nfs/dbraw/zinc/82/61/66/569826166.db2.gz QLZRBOBXSHNIEJ-XOBRGWDASA-N 0 0 461.522 3.660 40 5 JHBBRN O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21 ZINC000040399479 569826665 /nfs/dbraw/zinc/82/66/65/569826665.db2.gz RBQRIURAKQGZOU-GFCCVEGCSA-N 0 0 489.275 3.793 40 5 JHBBRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000138532070 569865889 /nfs/dbraw/zinc/86/58/89/569865889.db2.gz PNNKJXDRUVIAPA-SFHVURJKSA-N 0 0 453.495 3.563 40 5 JHBBRN Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000138535679 569865903 /nfs/dbraw/zinc/86/59/03/569865903.db2.gz FUWYNFNSXREZQM-UHFFFAOYSA-N 0 0 478.299 3.956 40 5 JHBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000138652099 569866174 /nfs/dbraw/zinc/86/61/74/569866174.db2.gz RANZAPAAZAYCBV-UXHICEINSA-N 0 0 481.892 3.830 40 5 JHBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000217389794 569879980 /nfs/dbraw/zinc/87/99/80/569879980.db2.gz KFACZZMHGZERSN-BHIFYINESA-N 0 0 474.429 3.863 40 5 JHBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222549257 569885615 /nfs/dbraw/zinc/88/56/15/569885615.db2.gz PKQKCOBULQKYEB-UWJYYQICSA-N 0 0 487.553 3.713 40 5 JHBBRN CC(C)(Cc1ccccc1)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222627510 569887260 /nfs/dbraw/zinc/88/72/60/569887260.db2.gz ONTYOCICJQSDJR-UHFFFAOYSA-N 0 0 467.547 3.928 40 5 JHBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223185654 569902662 /nfs/dbraw/zinc/90/26/62/569902662.db2.gz UCFZTWNZTAPAFG-INIZCTEOSA-N 0 0 477.945 3.969 40 5 JHBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 ZINC000223200483 569903283 /nfs/dbraw/zinc/90/32/83/569903283.db2.gz ICNRTTXZFWCCAV-BJKOFHAPSA-N 0 0 493.589 3.945 40 5 JHBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)o2)cc1 ZINC000223209073 569903506 /nfs/dbraw/zinc/90/35/06/569903506.db2.gz WRUKBWJZOCSZPR-BJKOFHAPSA-N 0 0 493.589 3.945 40 5 JHBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223277477 569905926 /nfs/dbraw/zinc/90/59/26/569905926.db2.gz IWNLIROGEGYNTI-QGZVFWFLSA-N 0 0 484.336 3.842 40 5 JHBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCOc1ccc(Cl)cc1 ZINC000223525154 569914555 /nfs/dbraw/zinc/91/45/55/569914555.db2.gz UYETVLNPZSEWNA-UHFFFAOYSA-N 0 0 489.937 3.639 40 5 JHBBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000223705590 569920556 /nfs/dbraw/zinc/92/05/56/569920556.db2.gz UJEUTPDHSYOGFS-FCHUYYIVSA-N 0 0 482.518 3.794 40 5 JHBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223914677 569927068 /nfs/dbraw/zinc/92/70/68/569927068.db2.gz VTLRXLPCTKVONQ-CYBMUJFWSA-N 0 0 484.336 3.842 40 5 JHBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224025824 569931034 /nfs/dbraw/zinc/93/10/34/569931034.db2.gz KLWWLOWRCRIBKY-OAQYLSRUSA-N 0 0 487.553 3.715 40 5 JHBBRN CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224677538 569953291 /nfs/dbraw/zinc/95/32/91/569953291.db2.gz ORAFDIGFLVLMJP-OAHLLOKOSA-N 0 0 462.344 3.842 40 5 JHBBRN CCc1ccc(CC)c(CNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 ZINC000224888051 569961973 /nfs/dbraw/zinc/96/19/73/569961973.db2.gz OTOKJFREVQMDSD-UHFFFAOYSA-N 0 0 477.583 3.591 40 5 JHBBRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000224891637 569962087 /nfs/dbraw/zinc/96/20/87/569962087.db2.gz KTSANFHNZJHFSR-UHFFFAOYSA-N 0 0 461.418 3.678 40 5 JHBBRN CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000224935643 569964073 /nfs/dbraw/zinc/96/40/73/569964073.db2.gz NUALXKLXCHFPQB-UHFFFAOYSA-N 0 0 490.365 3.643 40 5 JHBBRN Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000408648835 569993053 /nfs/dbraw/zinc/99/30/53/569993053.db2.gz KIEBWQRZXXUYKE-ORYQWCPZSA-N 0 0 463.490 3.707 40 5 JHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000408652915 569995218 /nfs/dbraw/zinc/99/52/18/569995218.db2.gz PDHUBVJWDSLNGP-XWRIVVANSA-N 0 0 481.892 3.686 40 5 JHBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1C ZINC000408653366 569995577 /nfs/dbraw/zinc/99/55/77/569995577.db2.gz PPSPBOPGLXULQF-NHCUHLMSSA-N 0 0 463.490 3.627 40 5 JHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000408655883 569997215 /nfs/dbraw/zinc/99/72/15/569997215.db2.gz SANKLLLAPVECGW-XWRIVVANSA-N 0 0 481.892 3.686 40 5 JHBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408655856 569997244 /nfs/dbraw/zinc/99/72/44/569997244.db2.gz RYLDUGRGBDIXHN-IAGOWNOFSA-N 0 0 469.881 3.664 40 5 JHBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000408656501 569997665 /nfs/dbraw/zinc/99/76/65/569997665.db2.gz SSAQOIPPABYDMD-RTBURBONSA-N 0 0 469.881 3.664 40 5 JHBBRN C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC[C@@H](C)C[C@@H]2C1=O ZINC000408661451 570000946 /nfs/dbraw/zinc/00/09/46/570000946.db2.gz XCMQBRZIJPRDAZ-ALGWMNEGSA-N 0 0 463.490 3.645 40 5 JHBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408665804 570004131 /nfs/dbraw/zinc/00/41/31/570004131.db2.gz ZLNNKMVEIMXPJY-VOBQZIQPSA-N 0 0 483.908 3.910 40 5 JHBBRN O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1Cl)Nc1ccc([N+](=O)[O-])cc1 ZINC000408666326 570004614 /nfs/dbraw/zinc/00/46/14/570004614.db2.gz YNZSDDMBPIUURB-UHFFFAOYSA-N 0 0 484.690 3.911 40 5 JHBBRN Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc(C)c1Br ZINC000408666413 570004707 /nfs/dbraw/zinc/00/47/07/570004707.db2.gz ZNNRFAAWLBCZFN-UHFFFAOYSA-N 0 0 478.299 3.875 40 5 JHBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225592745 570008324 /nfs/dbraw/zinc/00/83/24/570008324.db2.gz ZHCHBMURVYEUDI-XMMPIXPASA-N 0 0 491.544 3.677 40 5 JHBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408683480 570013282 /nfs/dbraw/zinc/01/32/82/570013282.db2.gz LHZHJXPWBCXGSA-LJHODMEESA-N 0 0 483.908 3.910 40 5 JHBBRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000408688391 570014577 /nfs/dbraw/zinc/01/45/77/570014577.db2.gz WEPKIJWMMAKGTC-LJQANCHMSA-N 0 0 475.505 3.697 40 5 JHBBRN CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)c([N+](=O)[O-])c1 ZINC000408717989 570025914 /nfs/dbraw/zinc/02/59/14/570025914.db2.gz UJUVWDOOYROVNF-NDENLUEZSA-N 0 0 461.455 3.802 40 5 JHBBRN CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn([C@@H]4CCC[C@@H](C)[C@H]4C)c(=O)c3cc2c1=O 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/nfs/dbraw/zinc/14/34/95/570143495.db2.gz HOUICBAVKDMZQE-UHFFFAOYSA-N 0 0 495.348 3.691 40 5 JHBBRN CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1=S ZINC000409153810 570149904 /nfs/dbraw/zinc/14/99/04/570149904.db2.gz NEUZJTKHDSODCH-UHFFFAOYSA-N 0 0 468.539 3.528 40 5 JHBBRN Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)C(C)C)cc1 ZINC000409164404 570152995 /nfs/dbraw/zinc/15/29/95/570152995.db2.gz IAOIYICHGCYOAB-HXUWFJFHSA-N 0 0 482.566 3.890 40 5 JHBBRN Cc1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409175907 570156853 /nfs/dbraw/zinc/15/68/53/570156853.db2.gz DMFWHBDEEHAIFT-UHFFFAOYSA-N 0 0 462.389 3.883 40 5 JHBBRN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000409179764 570158563 /nfs/dbraw/zinc/15/85/63/570158563.db2.gz UVRDSUDHKGEIHV-QQNJPBSNSA-N 0 0 456.429 3.874 40 5 JHBBRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000261366152 570169442 /nfs/dbraw/zinc/16/94/42/570169442.db2.gz XQQMTPBDEUTZGV-JOCHJYFZSA-O 0 0 476.494 3.940 40 5 JHBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c([N+](=O)[O-])cc1OC ZINC000409228084 570176439 /nfs/dbraw/zinc/17/64/39/570176439.db2.gz ZVXQZLLTUSBAOU-CAOOACKPSA-N 0 0 477.882 3.940 40 5 JHBBRN CCn1c2cc(NC(=O)c3ccccc3I)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408530150 570187557 /nfs/dbraw/zinc/18/75/57/570187557.db2.gz LHTWLSDSIJBYOS-UHFFFAOYSA-N 0 0 480.262 3.608 40 5 JHBBRN O=C(Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000408533023 570188776 /nfs/dbraw/zinc/18/87/76/570188776.db2.gz NWENCIORSIFWJE-UHFFFAOYSA-N 0 0 458.478 3.756 40 5 JHBBRN O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000408541955 570191772 /nfs/dbraw/zinc/19/17/72/570191772.db2.gz GBKMUXBQPINMOC-UHFFFAOYSA-N 0 0 450.274 3.579 40 5 JHBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O)N1CCCC1 ZINC000408551213 570195105 /nfs/dbraw/zinc/19/51/05/570195105.db2.gz MKXVCEFYJGUVJA-DEDYPNTBSA-N 0 0 467.503 3.833 40 5 JHBBRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000408558664 570199206 /nfs/dbraw/zinc/19/92/06/570199206.db2.gz JXWNFNUJHLXLKH-UHFFFAOYSA-N 0 0 467.931 3.605 40 5 JHBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000408571027 570204628 /nfs/dbraw/zinc/20/46/28/570204628.db2.gz MWOHIHMQZQGIJY-IBGZPJMESA-N 0 0 460.512 3.720 40 5 JHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)COc3cc(C)ccc3C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000408573848 570205307 /nfs/dbraw/zinc/20/53/07/570205307.db2.gz OTJCJANTZHTZQM-UHFFFAOYSA-N 0 0 469.538 3.931 40 5 JHBBRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000408577728 570206201 /nfs/dbraw/zinc/20/62/01/570206201.db2.gz RABZXLHJRWRWFU-UHFFFAOYSA-N 0 0 463.490 3.766 40 5 JHBBRN Cc1c(NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000408584142 570207468 /nfs/dbraw/zinc/20/74/68/570207468.db2.gz MIFAXICXSUOUEC-UHFFFAOYSA-N 0 0 453.520 3.953 40 5 JHBBRN Cc1ccc(NC(=O)CSc2nnc3n2c2ccccc2c(=O)n3-c2ccccc2)cc1[N+](=O)[O-] ZINC000003295607 194270147 /nfs/dbraw/zinc/27/01/47/194270147.db2.gz XDRSUPVOECMCCA-UHFFFAOYSA-N 0 0 486.513 3.981 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(NC(C)=O)cc1 ZINC000059099186 195387537 /nfs/dbraw/zinc/38/75/37/195387537.db2.gz UWISABGUKIFHQD-UHFFFAOYSA-N 0 0 470.511 3.571 40 5 JHBBRN COc1cc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc(OC)c1OC ZINC000012491946 521910923 /nfs/dbraw/zinc/91/09/23/521910923.db2.gz NAQYRSJWZIIYBQ-GFCCVEGCSA-N 0 0 473.511 3.535 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1ccc(NC(C)=O)cc1 ZINC000019929359 523225340 /nfs/dbraw/zinc/22/53/40/523225340.db2.gz JOJPOMGNTAEPQQ-UHFFFAOYSA-N 0 0 454.512 3.871 40 5 JHBBRN CN1C(=S)S[C@@H](N2O[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]2c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000008407865 523737048 /nfs/dbraw/zinc/73/70/48/523737048.db2.gz IXRADQRZNYVFFZ-NEYJZJCJSA-N 0 0 498.586 3.510 40 5 JHBBRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000020482560 525134006 /nfs/dbraw/zinc/13/40/06/525134006.db2.gz YQZMURQWJZBSQE-QGZVFWFLSA-N 0 0 499.545 3.685 40 5 JHBBRN Nc1c(I)cc2c(c1I)Cc1cc([N+](=O)[O-])ccc1-2 ZINC000004823259 527435322 /nfs/dbraw/zinc/43/53/22/527435322.db2.gz XLHBKIBSFPKXBL-UHFFFAOYSA-N 0 0 478.027 3.957 40 5 JHBBRN O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 ZINC000040400288 527436363 /nfs/dbraw/zinc/43/63/63/527436363.db2.gz WTNLUHNTVDCFSW-LBPRGKRZSA-N 0 0 488.382 3.505 40 5 JHBBRN Cc1cc(C)c2cc(CN(Cc3cccnc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1 ZINC000000891783 553829413 /nfs/dbraw/zinc/82/94/13/553829413.db2.gz ATIFIGIWVLJZDS-UHFFFAOYSA-N 0 0 478.530 3.839 40 5 JHBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1[N+](=O)[O-] ZINC000005949400 554498644 /nfs/dbraw/zinc/49/86/44/554498644.db2.gz NSWIQNMYCXLLCA-UHFFFAOYSA-N 0 0 460.512 3.723 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000006878401 554559790 /nfs/dbraw/zinc/55/97/90/554559790.db2.gz TUJVQJLWLXHNHE-UHFFFAOYSA-N 0 0 458.456 3.521 40 5 JHBBRN C[C@H](Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)C(=O)NCCCn1ccnc1 ZINC000008791879 554685144 /nfs/dbraw/zinc/68/51/44/554685144.db2.gz QGJUMQHGJBZMCT-KRWDZBQOSA-N 0 0 465.513 3.762 40 5 biogenic JHBBRN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000008831418 554722273 /nfs/dbraw/zinc/72/22/73/554722273.db2.gz NEEPASGVCATYNH-UHFFFAOYSA-N 0 0 455.540 3.916 40 5 JHBBRN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nn4c(C)nnc4s3)c2C)cc1[N+](=O)[O-] ZINC000008832763 554728162 /nfs/dbraw/zinc/72/81/62/554728162.db2.gz NQHXKEKUHXYANG-UHFFFAOYSA-N 0 0 483.535 3.513 40 5 JHBBRN O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000008915353 554808885 /nfs/dbraw/zinc/80/88/85/554808885.db2.gz SWDHZKXTZGDMIV-BBTUJRGHSA-N 0 0 475.379 3.959 40 5 JHBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000009059296 554877835 /nfs/dbraw/zinc/87/78/35/554877835.db2.gz HNZNTICHVOTEOY-GOSISDBHSA-N 0 0 484.494 3.671 40 5 JHBBRN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)nn12 ZINC000009064553 554882469 /nfs/dbraw/zinc/88/24/69/554882469.db2.gz XCWPWSSDIGFCPC-UHFFFAOYSA-N 0 0 453.509 3.505 40 5 JHBBRN CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000009064679 554883028 /nfs/dbraw/zinc/88/30/28/554883028.db2.gz JHDFHDNBQWORBX-UHFFFAOYSA-N 0 0 458.540 3.561 40 5 JHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013678613 555569956 /nfs/dbraw/zinc/56/99/56/555569956.db2.gz HIAYSZWVDKZACV-HXUWFJFHSA-N 0 0 473.894 3.843 40 5 JHBBRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000020009103 555584227 /nfs/dbraw/zinc/58/42/27/555584227.db2.gz BGMGCHCNMOFSBG-NRFANRHFSA-N 0 0 483.546 3.749 40 5 JHBBRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000010128417 555634175 /nfs/dbraw/zinc/63/41/75/555634175.db2.gz ZISOKDDAUJDGJF-NRFANRHFSA-N 0 0 453.520 3.740 40 5 JHBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000020153319 555672455 /nfs/dbraw/zinc/67/24/55/555672455.db2.gz BRFZYIRMXBIVDQ-UHFFFAOYSA-N 0 0 496.545 3.619 40 5 JHBBRN O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)c2c1Nc1nnnn1[C@H]2c1ccc(Cl)cc1Cl ZINC000010296371 555675777 /nfs/dbraw/zinc/67/57/77/555675777.db2.gz PJXCFARANYNMDO-INIZCTEOSA-N 0 0 457.237 3.745 40 5 JHBBRN O=c1[nH]nc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@H]2c1ccccc1[N+](=O)[O-] ZINC000010298173 555676107 /nfs/dbraw/zinc/67/61/07/555676107.db2.gz HBJCFSMJPOBHKX-INIZCTEOSA-N 0 0 457.237 3.745 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000014137151 555704405 /nfs/dbraw/zinc/70/44/05/555704405.db2.gz NSYIPZXNDRFJKE-UHFFFAOYSA-N 0 0 473.511 3.630 40 5 JHBBRN CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000014273496 555773295 /nfs/dbraw/zinc/77/32/95/555773295.db2.gz WJXRZKCVHZUSQD-UHFFFAOYSA-N 0 0 451.527 3.506 40 5 JHBBRN Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(Br)c1 ZINC000020410885 555788141 /nfs/dbraw/zinc/78/81/41/555788141.db2.gz PFKGOMYORGWCSL-UHFFFAOYSA-N 0 0 464.316 3.828 40 5 JHBBRN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000014278424 555788502 /nfs/dbraw/zinc/78/85/02/555788502.db2.gz CPRSKQWLYYTFBF-UHFFFAOYSA-N 0 0 488.504 3.816 40 5 JHBBRN CCCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257482 555905296 /nfs/dbraw/zinc/90/52/96/555905296.db2.gz AYIIYQPKIZBKHU-UHFFFAOYSA-N 0 0 470.482 3.788 40 5 JHBBRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000022565369 555935983 /nfs/dbraw/zinc/93/59/83/555935983.db2.gz LRMLIIYAVNIETN-AWEZNQCLSA-N 0 0 458.540 3.777 40 5 JHBBRN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022576754 555939049 /nfs/dbraw/zinc/93/90/49/555939049.db2.gz XBQAHGRMCGWZHV-UHFFFAOYSA-N 0 0 466.450 3.538 40 5 JHBBRN O=C(c1cccnc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000015971961 556097025 /nfs/dbraw/zinc/09/70/25/556097025.db2.gz SDLRNEKMDVIMAG-HZLPDVBGSA-N 0 0 454.486 3.898 40 5 JHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016399699 556137462 /nfs/dbraw/zinc/13/74/62/556137462.db2.gz BKEYIKJUFGJAFY-QPJJXVBHSA-N 0 0 450.373 3.884 40 5 JHBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000018190137 556300574 /nfs/dbraw/zinc/30/05/74/556300574.db2.gz FDRVSJNOHWSSMY-VJBWXMMDSA-N 0 0 493.447 3.802 40 5 JHBBRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC ZINC000032115500 556422687 /nfs/dbraw/zinc/42/26/87/556422687.db2.gz UCPIDDHAUIXRCK-UHFFFAOYSA-N 0 0 475.483 3.767 40 5 JHBBRN CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1[N+](=O)[O-] ZINC000032126470 556430240 /nfs/dbraw/zinc/43/02/40/556430240.db2.gz WKATTYYSBQJVBN-UHFFFAOYSA-N 0 0 487.563 3.567 40 5 JHBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1[N+](=O)[O-] ZINC000032127836 556432631 /nfs/dbraw/zinc/43/26/31/556432631.db2.gz UHRQVQGFONHIRA-UHFFFAOYSA-N 0 0 497.562 3.903 40 5 JHBBRN Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000057316422 569597765 /nfs/dbraw/zinc/59/77/65/569597765.db2.gz ZUPASIOBMXKYFE-UHFFFAOYSA-N 0 0 483.594 3.725 40 5 JHBBRN COC(=O)c1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(C(=O)OC)c1 ZINC000033650537 569629550 /nfs/dbraw/zinc/62/95/50/569629550.db2.gz KABGOURRVZECND-UHFFFAOYSA-N 0 0 483.458 3.555 40 5 JHBBRN O=[N+]([O-])c1ccc2c(c1)nc1n2-c2nc3cc([N+](=O)[O-])ccc3n2-c2nc3cc([N+](=O)[O-])ccc3n2-1 ZINC000100934466 569776485 /nfs/dbraw/zinc/77/64/85/569776485.db2.gz UCVUUCKQNMHHLQ-UHFFFAOYSA-N 0 0 483.360 3.741 40 5 JHBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000102748660 569820455 /nfs/dbraw/zinc/82/04/55/569820455.db2.gz CEFWHDCPWNQIKV-XPWALMASSA-N 0 0 475.457 3.663 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2C)n1C ZINC000108921622 569859811 /nfs/dbraw/zinc/85/98/11/569859811.db2.gz QWNCTUFHZNPVMN-HNNXBMFYSA-N 0 0 468.539 3.562 40 5 JHBBRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113833539 569862128 /nfs/dbraw/zinc/86/21/28/569862128.db2.gz FVBDMARWZJYTCA-XKZIYDEJSA-N 0 0 459.483 3.953 40 5 JHBBRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000113833462 569862156 /nfs/dbraw/zinc/86/21/56/569862156.db2.gz KOSHSMRAEOGYEE-XKZIYDEJSA-N 0 0 459.483 3.953 40 5 JHBBRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(C)cc2)cc1OC ZINC000137693362 569865193 /nfs/dbraw/zinc/86/51/93/569865193.db2.gz MZKMTRNIPORLGH-UHFFFAOYSA-N 0 0 485.518 3.754 40 5 JHBBRN Cc1c(O[C@@H](C)C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)ccc2c3ccccc3c(=O)oc12 ZINC000137961442 569865501 /nfs/dbraw/zinc/86/55/01/569865501.db2.gz GXTFVQZVTBUXLF-GBESFXJTSA-N 0 0 470.525 3.830 40 5 JHBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000205806469 569874409 /nfs/dbraw/zinc/87/44/09/569874409.db2.gz BTJKCXUNYGGSNF-XDHOZWIPSA-N 0 0 498.517 3.840 40 5 JHBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)N1CCCC1 ZINC000205859624 569874469 /nfs/dbraw/zinc/87/44/69/569874469.db2.gz SSSCWBURDZMJHH-YBFXNURJSA-N 0 0 498.473 3.954 40 5 JHBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000205876276 569874512 /nfs/dbraw/zinc/87/45/12/569874512.db2.gz DFBCELFWMZEOBC-FYJGNVAPSA-N 0 0 497.529 3.841 40 5 JHBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222597401 569886598 /nfs/dbraw/zinc/88/65/98/569886598.db2.gz GVDIKNQLICLZAA-IBGZPJMESA-N 0 0 477.945 3.968 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000222706026 569889117 /nfs/dbraw/zinc/88/91/17/569889117.db2.gz BMARCZQBFKKOFQ-KRWDZBQOSA-N 0 0 457.527 3.623 40 5 JHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222840984 569892410 /nfs/dbraw/zinc/89/24/10/569892410.db2.gz ZSDJFVXQNNUREJ-DEOSSOPVSA-N 0 0 461.518 3.532 40 5 JHBBRN CC[C@@H](C(=O)NCc1cccc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222886336 569893587 /nfs/dbraw/zinc/89/35/87/569893587.db2.gz KOBCQMXLGFKDLC-NRFANRHFSA-N 0 0 455.536 3.917 40 5 JHBBRN CCc1ccc([C@H](C)NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 ZINC000223137555 569900768 /nfs/dbraw/zinc/90/07/68/569900768.db2.gz WPHDCMQLQRMLIA-HNAYVOBHSA-N 0 0 463.556 3.588 40 5 JHBBRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223238557 569904522 /nfs/dbraw/zinc/90/45/22/569904522.db2.gz QOKOFAZVBJNKSV-YWZLYKJASA-N 0 0 475.567 3.514 40 5 JHBBRN CS(=O)(=O)N(CCCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000223331149 569907809 /nfs/dbraw/zinc/90/78/09/569907809.db2.gz OOQHMYOXNQVHBL-UHFFFAOYSA-N 0 0 495.970 3.952 40 5 JHBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCOc1ccc(Cl)cc1 ZINC000223527530 569914618 /nfs/dbraw/zinc/91/46/18/569914618.db2.gz BHTRWGUIWVIOQO-UHFFFAOYSA-N 0 0 489.937 3.639 40 5 JHBBRN C[C@H](CNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000223528184 569914630 /nfs/dbraw/zinc/91/46/30/569914630.db2.gz RGPIHBOOZYKGJU-GOSISDBHSA-N 0 0 453.520 3.710 40 5 JHBBRN CCCc1ccc(OCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000223529382 569914722 /nfs/dbraw/zinc/91/47/22/569914722.db2.gz HVACHQNGNKFWBH-UHFFFAOYSA-N 0 0 497.573 3.938 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)o1 ZINC000223634184 569918520 /nfs/dbraw/zinc/91/85/20/569918520.db2.gz XBJGVVVZSMIPST-RTWAWAEBSA-N 0 0 454.508 3.613 40 5 JHBBRN CC[C@@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223655584 569919149 /nfs/dbraw/zinc/91/91/49/569919149.db2.gz KOTYFXSSFKZFMB-NRFANRHFSA-N 0 0 491.610 3.941 40 5 JHBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223982944 569929419 /nfs/dbraw/zinc/92/94/19/569929419.db2.gz IWDIIGQXKQHKAP-OAQYLSRUSA-N 0 0 487.553 3.715 40 5 JHBBRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000224210400 569936650 /nfs/dbraw/zinc/93/66/50/569936650.db2.gz LDWZAFQQGOEWHE-UHFFFAOYSA-N 0 0 461.540 3.658 40 5 JHBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224661022 569952615 /nfs/dbraw/zinc/95/26/15/569952615.db2.gz YUBLBRXHYXEVFC-OAQYLSRUSA-N 0 0 471.554 3.870 40 5 JHBBRN CC[C@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224754408 569956120 /nfs/dbraw/zinc/95/61/20/569956120.db2.gz RRELMOBTONTPRG-MRXNPFEDSA-N 0 0 495.970 3.950 40 5 JHBBRN Cc1cccc(OCCNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3C)S(C)(=O)=O)cc2)c1 ZINC000224863019 569960674 /nfs/dbraw/zinc/96/06/74/569960674.db2.gz QVOLPDKBRNBAMZ-UHFFFAOYSA-N 0 0 497.573 3.987 40 5 JHBBRN Cc1c(N(Cc2ccc(C(=O)NCCOCc3ccccc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224863340 569960713 /nfs/dbraw/zinc/96/07/13/569960713.db2.gz CPTQKRLDQIAOKX-UHFFFAOYSA-N 0 0 497.573 3.816 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O ZINC000224888516 569961960 /nfs/dbraw/zinc/96/19/60/569961960.db2.gz YEPLSQZCBHXEQH-LBPRGKRZSA-N 0 0 461.418 3.595 40 5 JHBBRN CC[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224973928 569966513 /nfs/dbraw/zinc/96/65/13/569966513.db2.gz JYWBFXLTFQLOGC-NRFANRHFSA-N 0 0 460.556 3.768 40 5 JHBBRN COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000408640960 569989048 /nfs/dbraw/zinc/98/90/48/569989048.db2.gz BSQKAEUTUOZRKN-OAHLLOKOSA-N 0 0 473.441 3.528 40 5 JHBBRN Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000408648829 569993040 /nfs/dbraw/zinc/99/30/40/569993040.db2.gz KIEBWQRZXXUYKE-HBGVWJBISA-N 0 0 463.490 3.707 40 5 JHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408650748 569993855 /nfs/dbraw/zinc/99/38/55/569993855.db2.gz BNSBAWVQSLEAMI-MAODMQOUSA-N 0 0 491.500 3.541 40 5 JHBBRN Cc1cccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)c1 ZINC000408653166 569995356 /nfs/dbraw/zinc/99/53/56/569995356.db2.gz FDZWDXRIXRSHMV-INIZCTEOSA-N 0 0 485.452 3.662 40 5 JHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000408655882 569997231 /nfs/dbraw/zinc/99/72/31/569997231.db2.gz SANKLLLAPVECGW-RFVSGWPVSA-N 0 0 481.892 3.686 40 5 JHBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408658973 569999307 /nfs/dbraw/zinc/99/93/07/569999307.db2.gz VJCYSWWBHJMFAK-WOJBJXKFSA-N 0 0 481.892 3.830 40 5 JHBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408664070 570002837 /nfs/dbraw/zinc/00/28/37/570002837.db2.gz YQNSPXAUOCVROB-VQTJNVASSA-N 0 0 481.892 3.830 40 5 JHBBRN Cc1cccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)c1 ZINC000408664222 570003036 /nfs/dbraw/zinc/00/30/36/570003036.db2.gz ODTMYVTXOYEIKF-QGZVFWFLSA-N 0 0 499.479 3.971 40 5 JHBBRN O=C(COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1)N1CCOCC1 ZINC000225536699 570003622 /nfs/dbraw/zinc/00/36/22/570003622.db2.gz MZOQCVDFNQGDRF-UHFFFAOYSA-N 0 0 467.522 3.673 40 5 JHBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408665806 570004160 /nfs/dbraw/zinc/00/41/60/570004160.db2.gz ZLNNKMVEIMXPJY-XMCHAPAWSA-N 0 0 483.908 3.910 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225551877 570005079 /nfs/dbraw/zinc/00/50/79/570005079.db2.gz BUIXLGLLOHHBEZ-HNNXBMFYSA-N 0 0 463.918 3.578 40 5 JHBBRN COc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225667402 570013448 /nfs/dbraw/zinc/01/34/48/570013448.db2.gz OCCWWQFSBDNVGR-KRWDZBQOSA-N 0 0 459.568 3.779 40 5 JHBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 ZINC000408688938 570014674 /nfs/dbraw/zinc/01/46/74/570014674.db2.gz XGWQIUJQHKGHLG-YHBQJITHSA-N 0 0 498.879 3.911 40 5 JHBBRN Cc1nnc(N2C(=O)c3ccc(C(=O)OCc4ccc(Cl)cc4[N+](=O)[O-])cc3C2=O)s1 ZINC000408690607 570015088 /nfs/dbraw/zinc/01/50/88/570015088.db2.gz WBHMQJYGUQKNRR-UHFFFAOYSA-N 0 0 458.839 3.566 40 5 JHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408824623 570052369 /nfs/dbraw/zinc/05/23/69/570052369.db2.gz IOXZAKPOPXOTKG-SRKIZSPNSA-N 0 0 497.960 3.668 40 5 JHBBRN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)[C@H]1C=CC(OC(=O)c2cccc([N+](=O)[O-])c2)=CC1 ZINC000408927992 570079061 /nfs/dbraw/zinc/07/90/61/570079061.db2.gz ZHBROSLDSCOIHA-ZDUSSCGKSA-N 0 0 451.439 3.518 40 5 JHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409047195 570109107 /nfs/dbraw/zinc/10/91/07/570109107.db2.gz NPURBJMQNPUQHY-WLGHQHAYSA-N 0 0 499.548 3.860 40 5 JHBBRN Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)C(C)C)c1 ZINC000409060542 570113897 /nfs/dbraw/zinc/11/38/97/570113897.db2.gz XDIBFSQKPVQLOI-FQEVSTJZSA-N 0 0 482.566 3.890 40 5 JHBBRN Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)c1 ZINC000409126969 570138470 /nfs/dbraw/zinc/13/84/70/570138470.db2.gz IIJXRXZFOUUEGQ-OAHLLOKOSA-N 0 0 468.539 3.562 40 5 JHBBRN Cn1c(SCC(=O)Nc2ccc(I)cc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409133313 570141188 /nfs/dbraw/zinc/14/11/88/570141188.db2.gz SBVIXVIXLDHHKW-UHFFFAOYSA-N 0 0 495.302 3.726 40 5 JHBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1C ZINC000409143411 570145604 /nfs/dbraw/zinc/14/56/04/570145604.db2.gz NDJVPIWHALKAJH-CVAIRZPRSA-N 0 0 488.614 3.637 40 5 JHBBRN COc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1 ZINC000409148358 570148153 /nfs/dbraw/zinc/14/81/53/570148153.db2.gz PLDTUWXHLIRFPY-HXUWFJFHSA-N 0 0 498.565 3.590 40 5 JHBBRN CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1C ZINC000409152362 570149536 /nfs/dbraw/zinc/14/95/36/570149536.db2.gz KDNQXAZANDSSAE-IBGZPJMESA-N 0 0 468.539 3.581 40 5 JHBBRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000261362479 570167500 /nfs/dbraw/zinc/16/75/00/570167500.db2.gz DIJJOGTWFLONNN-IBGZPJMESA-O 0 0 458.907 3.724 40 5 JHBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)o1 ZINC000409211841 570170272 /nfs/dbraw/zinc/17/02/72/570170272.db2.gz OVVZCKJKPUYCJL-ODLFYWEKSA-N 0 0 464.409 3.834 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000409266510 570188511 /nfs/dbraw/zinc/18/85/11/570188511.db2.gz XNVNKVIVMDTJID-UHFFFAOYSA-N 0 0 470.463 3.645 40 5 JHBBRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1C ZINC000408556816 570197829 /nfs/dbraw/zinc/19/78/29/570197829.db2.gz JZZZGDUGTORSQV-QGZVFWFLSA-N 0 0 461.540 3.650 40 5 JHBBRN CN1C[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566003 570203658 /nfs/dbraw/zinc/20/36/58/570203658.db2.gz MODWHTDXURENOY-QFZRFWILSA-N 0 0 474.473 3.696 40 5 JHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(OCC(C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408573863 570205262 /nfs/dbraw/zinc/20/52/62/570205262.db2.gz PEWAXGVQCZIDLM-UHFFFAOYSA-N 0 0 455.511 3.769 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1cc(OC)cc(OC)c1 ZINC000408580550 570206638 /nfs/dbraw/zinc/20/66/38/570206638.db2.gz CHNUSQBMWFEPSY-UHFFFAOYSA-N 0 0 457.512 3.930 40 5 JHBBRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccccc2)cc1OC ZINC000408589272 570208737 /nfs/dbraw/zinc/20/87/37/570208737.db2.gz ZWWQZEFMIWBQOL-UHFFFAOYSA-N 0 0 499.545 3.750 40 5 JHBBRN O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004008959 194369301 /nfs/dbraw/zinc/36/93/01/194369301.db2.gz HRIZMLSRXBNFRM-BAEXCKCRSA-N 0 0 480.860 3.599 40 5 JHBBRN CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3[S@@](=O)c3cc([N+](=O)[O-])ccc32)cc1 ZINC000004958244 194401976 /nfs/dbraw/zinc/40/19/76/194401976.db2.gz KRQMHZFJCWFGKB-PMERELPUSA-N 0 0 457.489 3.560 40 5 JHBBRN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccco4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1[N+](=O)[O-] ZINC000009360900 194712925 /nfs/dbraw/zinc/71/29/25/194712925.db2.gz RSTJRUJDRXPOHC-LUKWVAJMSA-N 0 0 469.453 3.895 40 5 JHBBRN COc1ccc(Br)cc1/C=C/C(=O)Nc1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1 ZINC000021124249 195280141 /nfs/dbraw/zinc/28/01/41/195280141.db2.gz MPEKMOBEKQYQFC-ZZXKWVIFSA-N 0 0 452.217 3.935 40 5 JHBBRN O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000021124456 195280483 /nfs/dbraw/zinc/28/04/83/195280483.db2.gz VLBCHEGMYQMEIM-UHFFFAOYSA-N 0 0 456.808 3.711 40 5 JHBBRN CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000016320897 519640944 /nfs/dbraw/zinc/64/09/44/519640944.db2.gz BFJDMDKXIXIROM-UHFFFAOYSA-N 0 0 483.531 3.815 40 5 JHBBRN CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000044950154 521132782 /nfs/dbraw/zinc/13/27/82/521132782.db2.gz RRGDVMSGUAGGPZ-UHFFFAOYSA-N 0 0 491.547 3.736 40 5 JHBBRN CCOc1ccccc1CNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000022429812 521491068 /nfs/dbraw/zinc/49/10/68/521491068.db2.gz PWFHAZKVNKEWNP-UHFFFAOYSA-N 0 0 469.519 3.505 40 5 JHBBRN COc1ccc(-c2nc3c(n2C(C)=O)SC(c2cccc([N+](=O)[O-])c2)=NN3C(C)=O)cc1 ZINC000016807281 523226110 /nfs/dbraw/zinc/22/61/10/523226110.db2.gz SZYDBUYPVAWXPM-UHFFFAOYSA-N 0 0 451.464 3.947 40 5 JHBBRN C[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000020460987 525100238 /nfs/dbraw/zinc/10/02/38/525100238.db2.gz BXMMTRFHOHTLKK-MRXNPFEDSA-N 0 0 457.483 3.807 40 5 JHBBRN O=C(CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 ZINC000016768115 526894690 /nfs/dbraw/zinc/89/46/90/526894690.db2.gz QNFKOYIOXWQXLE-UHFFFAOYSA-N 0 0 471.335 3.958 40 5 JHBBRN NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002799303 554352411 /nfs/dbraw/zinc/35/24/11/554352411.db2.gz WKRPEKZGVULIFE-IBGZPJMESA-N 0 0 453.458 3.627 40 5 JHBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)NC6CC6)ccc5n(c43)c(=O)c2c1OC ZINC000008792347 554685847 /nfs/dbraw/zinc/68/58/47/554685847.db2.gz GNJJEFDXDDKRLM-ZDUSSCGKSA-N 0 0 457.486 3.655 40 5 biogenic JHBBRN CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nn4c(C)nnc4s3)c2C)cc1[N+](=O)[O-] ZINC000008832767 554728158 /nfs/dbraw/zinc/72/81/58/554728158.db2.gz TWDWCGRYQYVDLZ-UHFFFAOYSA-N 0 0 497.562 3.903 40 5 JHBBRN O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000008915354 554808821 /nfs/dbraw/zinc/80/88/21/554808821.db2.gz SWDHZKXTZGDMIV-LVCYWYKZSA-N 0 0 475.379 3.959 40 5 JHBBRN CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000009064671 554883103 /nfs/dbraw/zinc/88/31/03/554883103.db2.gz RQYUAHQZXWOWIB-UHFFFAOYSA-N 0 0 456.524 3.889 40 5 JHBBRN O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000009064693 554883297 /nfs/dbraw/zinc/88/32/97/554883297.db2.gz SDPJLTXFLWXRGT-UHFFFAOYSA-N 0 0 455.323 3.865 40 5 JHBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1Cc1ccccc1 ZINC000009307483 555080447 /nfs/dbraw/zinc/08/04/47/555080447.db2.gz QQHOFMDTDRGQOR-BDTNDASRSA-N 0 0 474.429 3.550 40 5 JHBBRN CC1=C[C@@H]2[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 ZINC000009423281 555188058 /nfs/dbraw/zinc/18/80/58/555188058.db2.gz QNPDOFCZLATMOX-YUMYIRISSA-N 0 0 459.502 3.852 40 5 JHBBRN O=C(CSc1n[nH]c(CNc2ccc(Br)cc2)n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000013370933 555392046 /nfs/dbraw/zinc/39/20/46/555392046.db2.gz UKEUMSPJMKXXES-UHFFFAOYSA-N 0 0 463.317 3.818 40 5 JHBBRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000020007324 555581969 /nfs/dbraw/zinc/58/19/69/555581969.db2.gz OLPWJZCSMGJAQJ-NRFANRHFSA-N 0 0 483.546 3.749 40 5 JHBBRN CC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020098380 555633074 /nfs/dbraw/zinc/63/30/74/555633074.db2.gz SHSHVOCTKFNCFZ-QHCPKHFHSA-N 0 0 472.553 3.796 40 5 JHBBRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000010128420 555634169 /nfs/dbraw/zinc/63/41/69/555634169.db2.gz ZISOKDDAUJDGJF-OAQYLSRUSA-N 0 0 453.520 3.740 40 5 JHBBRN O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014269630 555759814 /nfs/dbraw/zinc/75/98/14/555759814.db2.gz KXVRQIMYHXKZMK-UHFFFAOYSA-N 0 0 454.430 3.577 40 5 JHBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1[N+](=O)[O-] ZINC000014273883 555775073 /nfs/dbraw/zinc/77/50/73/555775073.db2.gz QWKSUWIIIFCZFV-UHFFFAOYSA-N 0 0 483.535 3.595 40 5 JHBBRN CCOC(=O)c1sc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nc1C ZINC000014274372 555776552 /nfs/dbraw/zinc/77/65/52/555776552.db2.gz VFSOSZQTWWQSAU-UHFFFAOYSA-N 0 0 477.568 3.654 40 5 JHBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC000020528432 555792326 /nfs/dbraw/zinc/79/23/26/555792326.db2.gz YOLNFWDOTJEVNI-UHFFFAOYSA-N 0 0 474.945 3.960 40 5 JHBBRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000022268574 555907772 /nfs/dbraw/zinc/90/77/72/555907772.db2.gz LTYHMLTXVVTKRI-JOCHJYFZSA-N 0 0 483.546 3.830 40 5 JHBBRN O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022536054 555933589 /nfs/dbraw/zinc/93/35/89/555933589.db2.gz YTCLOITXBJBMIV-UHFFFAOYSA-N 0 0 454.430 3.577 40 5 JHBBRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(F)c1F ZINC000022567730 555936617 /nfs/dbraw/zinc/93/66/17/555936617.db2.gz ZMPTYYFJJONHFN-UHFFFAOYSA-N 0 0 460.390 3.896 40 5 JHBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000022708197 555944816 /nfs/dbraw/zinc/94/48/16/555944816.db2.gz VUPNTRRIZYGFKM-UHFFFAOYSA-N 0 0 472.508 3.840 40 5 JHBBRN Cc1c(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000016250129 556131419 /nfs/dbraw/zinc/13/14/19/556131419.db2.gz CSKSDPKGFSUQCT-UHFFFAOYSA-N 0 0 497.455 3.667 40 5 JHBBRN CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3s2)cc1[N+](=O)[O-] ZINC000016693022 556153719 /nfs/dbraw/zinc/15/37/19/556153719.db2.gz CWAYEBGQQXLTHU-UHFFFAOYSA-N 0 0 459.509 3.688 40 5 JHBBRN Cc1cc(Cl)ccc1Nc1nc(O)c(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000017195793 556238002 /nfs/dbraw/zinc/23/80/02/556238002.db2.gz ONAUUOZCZJZPBW-HNNXBMFYSA-N 0 0 463.859 3.904 40 5 JHBBRN O=C(c1ccccc1[N+](=O)[O-])N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)CC1 ZINC000013083178 556279061 /nfs/dbraw/zinc/27/90/61/556279061.db2.gz ZCEKIAVBCCMAAK-UHFFFAOYSA-N 0 0 493.911 3.557 40 5 JHBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000018156868 556295912 /nfs/dbraw/zinc/29/59/12/556295912.db2.gz IIKLQEGSDUZIGC-HJOGWXRNSA-N 0 0 489.484 3.972 40 5 JHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@H]12 ZINC000032594617 556448746 /nfs/dbraw/zinc/44/87/46/556448746.db2.gz QUNSVPWAELURHX-QLFBSQMISA-N 0 0 455.473 3.537 40 5 JHBBRN O=C(NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000057316700 569598059 /nfs/dbraw/zinc/59/80/59/569598059.db2.gz CLDWWRSYJIQDLP-UHFFFAOYSA-N 0 0 476.839 3.642 40 5 JHBBRN O=C(c1ccncc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000035808792 569712125 /nfs/dbraw/zinc/71/21/25/569712125.db2.gz UAADHONVUAJZAA-FCBCXNLDSA-N 0 0 454.486 3.898 40 5 JHBBRN O=C(c1ccccn1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000036316842 569763503 /nfs/dbraw/zinc/76/35/03/569763503.db2.gz ATMIMTQWQRBXKU-WTEVXDJOSA-N 0 0 472.526 3.809 40 5 JHBBRN COc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)cc1 ZINC000036852428 569780968 /nfs/dbraw/zinc/78/09/68/569780968.db2.gz HHZUJXFWKNKLDY-UHFFFAOYSA-N 0 0 482.547 4.253 40 5 JHBBRN CN1C(=S)S[C@@H](N2O[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000102724450 569817490 /nfs/dbraw/zinc/81/74/90/569817490.db2.gz XCPXSWDILTVGFP-XKGFGPFHSA-N 0 0 498.586 3.510 40 5 JHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21 ZINC000040399484 569826718 /nfs/dbraw/zinc/82/67/18/569826718.db2.gz GUFQVCVYVDAZQI-AWEZNQCLSA-N 0 0 489.275 3.793 40 5 JHBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000107552606 569856535 /nfs/dbraw/zinc/85/65/35/569856535.db2.gz MTKLYYUOZCOQBH-CAOOACKPSA-N 0 0 477.882 3.940 40 5 JHBBRN COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000113834561 569862181 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ZINC000408640349 569988812 /nfs/dbraw/zinc/98/88/12/569988812.db2.gz ATSVIVORHICHPF-VOBQZIQPSA-N 0 0 483.908 3.910 40 5 JHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]21 ZINC000408640686 569988958 /nfs/dbraw/zinc/98/89/58/569988958.db2.gz BMJGZYZVRZRGRQ-IBZMOEQTSA-N 0 0 481.892 3.686 40 5 JHBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000408641009 569989147 /nfs/dbraw/zinc/98/91/47/569989147.db2.gz BZHWJAUMTLAELF-UHFFFAOYSA-N 0 0 463.833 3.785 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Br)c(C)c2C)CC1=O ZINC000408643235 569990126 /nfs/dbraw/zinc/99/01/26/569990126.db2.gz QRFSLMMKGMRBNT-ZDUSSCGKSA-N 0 0 462.300 3.974 40 5 JHBBRN Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 ZINC000408648151 569992664 /nfs/dbraw/zinc/99/26/64/569992664.db2.gz JRPROJJMYUZAKK-WOSNLTMFSA-N 0 0 477.517 3.953 40 5 JHBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 ZINC000408648774 569992974 /nfs/dbraw/zinc/99/29/74/569992974.db2.gz KFTDCVTZCXQKRN-MMACOIQUSA-N 0 0 481.892 3.686 40 5 JHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 ZINC000408648779 569993051 /nfs/dbraw/zinc/99/30/51/569993051.db2.gz KFTDCVTZCXQKRN-XWRIVVANSA-N 0 0 481.892 3.686 40 5 JHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)c(C)c1 ZINC000408651995 569994649 /nfs/dbraw/zinc/99/46/49/569994649.db2.gz CUIJJKGXJRRPMF-QGZVFWFLSA-N 0 0 499.479 3.971 40 5 JHBBRN CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000408655015 569996585 /nfs/dbraw/zinc/99/65/85/569996585.db2.gz CIJYXVRWJARIKR-UHFFFAOYSA-N 0 0 485.493 3.761 40 5 JHBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000408655884 569997233 /nfs/dbraw/zinc/99/72/33/569997233.db2.gz SANKLLLAPVECGW-YFZFPPMRSA-N 0 0 481.892 3.686 40 5 JHBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC[C@@H](C)C[C@@H]3C2=O)cc1 ZINC000408656994 569997969 /nfs/dbraw/zinc/99/79/69/569997969.db2.gz TVHOSLCVGWOMFC-HBGVWJBISA-N 0 0 463.490 3.565 40 5 JHBBRN O=C(CCC(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000408660995 570000681 /nfs/dbraw/zinc/00/06/81/570000681.db2.gz CEVFNMONAKTNCN-UHFFFAOYSA-N 0 0 484.690 3.911 40 5 JHBBRN CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C(=O)c3ccccc3)C(=O)[C@H]2C1 ZINC000408660209 570000173 /nfs/dbraw/zinc/00/01/73/570000173.db2.gz WMTHFCMMEOKLPX-NDXORKPFSA-N 0 0 461.474 3.565 40 5 JHBBRN O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 ZINC000408661000 570000696 /nfs/dbraw/zinc/00/06/96/570000696.db2.gz AKTFQEASSVAWPS-UHFFFAOYSA-N 0 0 464.272 3.648 40 5 JHBBRN Cc1cccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)c1C ZINC000408665184 570003768 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/nfs/dbraw/zinc/01/42/52/570014252.db2.gz TXPDNISUNAXJJC-JSNMRZPZSA-N 0 0 483.908 3.910 40 5 JHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408689837 570014973 /nfs/dbraw/zinc/01/49/73/570014973.db2.gz ZFESDCIZYSQMDU-ROUUACIJSA-N 0 0 486.868 3.889 40 5 JHBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)NCCc1ccccc1 ZINC000408713690 570025592 /nfs/dbraw/zinc/02/55/92/570025592.db2.gz MRVLYVZNSACZHO-UHFFFAOYSA-N 0 0 469.519 3.685 40 5 JHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Cl)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408996603 570095442 /nfs/dbraw/zinc/09/54/42/570095442.db2.gz JCAKQZCCPPZOKR-PRWBYUBPSA-N 0 0 497.960 3.668 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)o1 ZINC000409022385 570103392 /nfs/dbraw/zinc/10/33/92/570103392.db2.gz MLSGOBOZXLDTSZ-XDHOZWIPSA-N 0 0 476.445 3.703 40 5 JHBBRN CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000409028904 570105403 /nfs/dbraw/zinc/10/54/03/570105403.db2.gz SXSOGVWRAIINKB-UHFFFAOYSA-N 0 0 451.810 3.672 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000409129949 570139656 /nfs/dbraw/zinc/13/96/56/570139656.db2.gz HUGMWOPTJFTSMI-UHFFFAOYSA-N 0 0 471.491 3.800 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000409136164 570142383 /nfs/dbraw/zinc/14/23/83/570142383.db2.gz TXKJAYUPCOIYEN-OAHLLOKOSA-N 0 0 468.539 3.736 40 5 JHBBRN Cc1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1 ZINC000409141162 570144584 /nfs/dbraw/zinc/14/45/84/570144584.db2.gz ULNFQYHTSSNFOA-HXUWFJFHSA-N 0 0 482.566 3.890 40 5 JHBBRN CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409144896 570146335 /nfs/dbraw/zinc/14/63/35/570146335.db2.gz OOBBZZGCEQMQKP-INIZCTEOSA-N 0 0 489.583 3.521 40 5 JHBBRN Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccccc4)n3N)n2)cc1[N+](=O)[O-] ZINC000409150980 570149193 /nfs/dbraw/zinc/14/91/93/570149193.db2.gz FQWJHTJJFDUWDD-UHFFFAOYSA-N 0 0 467.536 3.730 40 5 JHBBRN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C(C)=O)c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000409181054 570159235 /nfs/dbraw/zinc/15/92/35/570159235.db2.gz ZRJKOVIFLCVXBL-QDBPJBAASA-N 0 0 496.475 3.660 40 5 JHBBRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409183113 570160123 /nfs/dbraw/zinc/16/01/23/570160123.db2.gz RIFMGEKGULHXBL-UHFFFAOYSA-N 0 0 477.385 3.635 40 5 JHBBRN CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260941223 570165641 /nfs/dbraw/zinc/16/56/41/570165641.db2.gz RSXIMYHDXDGUET-OPAMFIHVSA-N 0 0 459.568 3.896 40 5 JHBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409233368 570178652 /nfs/dbraw/zinc/17/86/52/570178652.db2.gz FYWPPIHXXWGSRN-DEDYPNTBSA-N 0 0 460.446 3.949 40 5 JHBBRN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000409253341 570186358 /nfs/dbraw/zinc/18/63/58/570186358.db2.gz AYLUTBSMLMDTOQ-UHFFFAOYSA-N 0 0 475.910 3.744 40 5 JHBBRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000408559843 570200052 /nfs/dbraw/zinc/20/00/52/570200052.db2.gz ZJHQPIUGXGTZJP-UHFFFAOYSA-N 0 0 467.931 3.686 40 5 JHBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OC ZINC000408569693 570204514 /nfs/dbraw/zinc/20/45/14/570204514.db2.gz XABLNNCRZMLGFU-PBNJOUANSA-N 0 0 488.338 3.521 40 5 JHBBRN Cc1c(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000408583333 570207204 /nfs/dbraw/zinc/20/72/04/570207204.db2.gz HOASEFSWDGXLJK-UHFFFAOYSA-N 0 0 467.547 3.996 40 5 JHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 ZINC000012640485 195070177 /nfs/dbraw/zinc/07/01/77/195070177.db2.gz OFQFDXJDMMCLGA-UHFFFAOYSA-N 0 0 462.432 3.942 40 5 JHBBRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000020611119 195184963 /nfs/dbraw/zinc/18/49/63/195184963.db2.gz OIEGMIFDNDHGJB-UHFFFAOYSA-N 0 0 476.468 3.865 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059398074 195398521 /nfs/dbraw/zinc/39/85/21/195398521.db2.gz XGRIKIQSOQREOF-ZKKFKWFVSA-N 0 0 455.426 3.688 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000224843909 195466146 /nfs/dbraw/zinc/46/61/46/195466146.db2.gz MQEZBDVGZXFESI-QGZVFWFLSA-N 0 0 487.528 3.988 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000224855055 195468276 /nfs/dbraw/zinc/46/82/76/195468276.db2.gz LULGOTXNXRLQHU-UHFFFAOYSA-N 0 0 491.610 3.942 40 5 JHBBRN CCCCN1C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C(C)=C[C@@H]3[C@H]2C1=O ZINC000103462261 130637989 /nfs/dbraw/zinc/63/79/89/130637989.db2.gz ZVLKSWDBHGRLPT-SSGKUCQKSA-N 0 0 459.502 3.853 40 5 JHBBRN CCSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1 ZINC000040398914 521783377 /nfs/dbraw/zinc/78/33/77/521783377.db2.gz UBVDPEPLCPQLPH-CKFHNAJUSA-N 0 0 450.568 3.928 40 5 JHBBRN COc1cccc([C@@H](c2nnnn2CCC(C)C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1OC ZINC000013505368 524106709 /nfs/dbraw/zinc/10/67/09/524106709.db2.gz BLHKRAZJTBQTDT-QHCPKHFHSA-N 0 0 495.584 3.556 40 5 JHBBRN Cc1cc(C)nc(SCc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)n1 ZINC000012494512 524602231 /nfs/dbraw/zinc/60/22/31/524602231.db2.gz VXXFVLQIAIGNPI-CQSZACIVSA-N 0 0 473.584 3.850 40 5 JHBBRN Cc1ccccc1[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccccc1 ZINC000020455911 525368365 /nfs/dbraw/zinc/36/83/65/525368365.db2.gz AXTOIRMZYYSZGI-DEOSSOPVSA-N 0 0 467.547 3.883 40 5 JHBBRN Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] ZINC000020456022 525830912 /nfs/dbraw/zinc/83/09/12/525830912.db2.gz HRMVCUMOAMZYCV-UHFFFAOYSA-N 0 0 496.383 3.846 40 5 JHBBRN O=[N+]([O-])c1ccc(COc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)cc2)cc1 ZINC000068561856 527352375 /nfs/dbraw/zinc/35/23/75/527352375.db2.gz FLDUXDIOVWWGHC-FGZHOGPDSA-N 0 0 450.520 3.534 40 5 JHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000044840198 527373443 /nfs/dbraw/zinc/37/34/43/527373443.db2.gz DDMLFVBIKVCDHV-UHFFFAOYSA-N 0 0 482.356 3.538 40 5 JHBBRN O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(I)cc1 ZINC000022569492 527459942 /nfs/dbraw/zinc/45/99/42/527459942.db2.gz VDVOXAPHUMAQIX-UHFFFAOYSA-N 0 0 461.668 3.980 40 5 JHBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000016449286 527460072 /nfs/dbraw/zinc/46/00/72/527460072.db2.gz DTAXWQSCUFSXQP-UHFFFAOYSA-N 0 0 454.430 3.577 40 5 JHBBRN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000793897 553782373 /nfs/dbraw/zinc/78/23/73/553782373.db2.gz UUUVQTKUPRLELE-UHFFFAOYSA-N 0 0 457.512 3.833 40 5 JHBBRN CC[C@@H](C)NC(=O)COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1c3ccc(OC)c1OC ZINC000008792180 554685401 /nfs/dbraw/zinc/68/54/01/554685401.db2.gz QFKROVVZMIOOSL-CQSZACIVSA-N 0 0 459.502 3.903 40 5 biogenic JHBBRN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000008901953 554795770 /nfs/dbraw/zinc/79/57/70/554795770.db2.gz CJQZBUBOKDKAEM-UHFFFAOYSA-N 0 0 474.517 3.883 40 5 JHBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(F)cc1 ZINC000009328627 555099269 /nfs/dbraw/zinc/09/92/69/555099269.db2.gz BNEXLFTYXKUVTR-NJYVYQBISA-N 0 0 478.392 3.693 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2Br)n1C ZINC000013424578 555398715 /nfs/dbraw/zinc/39/87/15/555398715.db2.gz SABJRBIXAFOGEO-UHFFFAOYSA-N 0 0 478.328 3.892 40 5 JHBBRN O=[N+]([O-])c1ccc(N2CCN([C@@H](c3nnnn3Cc3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013504766 555464544 /nfs/dbraw/zinc/46/45/44/555464544.db2.gz QKGAGAXRBFPESB-XMMPIXPASA-N 0 0 491.502 3.819 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000019928868 555544678 /nfs/dbraw/zinc/54/46/78/555544678.db2.gz CDSSXRBSSFBUDO-UHFFFAOYSA-N 0 0 457.512 3.930 40 5 JHBBRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000019929416 555546435 /nfs/dbraw/zinc/54/64/35/555546435.db2.gz YBANWOOMFVBODW-UHFFFAOYSA-N 0 0 471.539 3.853 40 5 JHBBRN Cc1ccc(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000013670722 555561837 /nfs/dbraw/zinc/56/18/37/555561837.db2.gz AAYHZIGGYVILFA-UHFFFAOYSA-N 0 0 467.547 3.848 40 5 JHBBRN Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] ZINC000009973708 555574577 /nfs/dbraw/zinc/57/45/77/555574577.db2.gz PLNGRRAGJULWGC-AWEZNQCLSA-N 0 0 482.356 3.705 40 5 JHBBRN COc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1Cl ZINC000010338905 555693190 /nfs/dbraw/zinc/69/31/90/555693190.db2.gz POVRTWPDNQQTLZ-UHFFFAOYSA-N 0 0 455.920 3.750 40 5 JHBBRN O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020342395 555777532 /nfs/dbraw/zinc/77/75/32/555777532.db2.gz VMZVIGVZKYOQRW-UHFFFAOYSA-N 0 0 466.519 3.814 40 5 JHBBRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020412606 555790381 /nfs/dbraw/zinc/79/03/81/555790381.db2.gz SDQAIXFCFZNAAB-UHFFFAOYSA-N 0 0 460.918 3.570 40 5 JHBBRN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000022576366 555939062 /nfs/dbraw/zinc/93/90/62/555939062.db2.gz KCCGQDLLDYFZMC-UHFFFAOYSA-N 0 0 465.944 3.598 40 5 JHBBRN CCOc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000016692985 556153660 /nfs/dbraw/zinc/15/36/60/556153660.db2.gz XSSOXIROUSRDIZ-UHFFFAOYSA-N 0 0 468.388 3.883 40 5 JHBBRN O=C1[C@@H]2[C@H](c3ccccc3[N+](=O)[O-])N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000018096772 556286862 /nfs/dbraw/zinc/28/68/62/556286862.db2.gz BNEXLFTYXKUVTR-HKBOAZHASA-N 0 0 478.392 3.693 40 5 JHBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124924 556428388 /nfs/dbraw/zinc/42/83/88/556428388.db2.gz XQIVHSFFLSUERK-MOSHPQCFSA-N 0 0 499.570 3.950 40 5 JHBBRN CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000057316056 569597426 /nfs/dbraw/zinc/59/74/26/569597426.db2.gz ULKOFFWPQDNSHA-UHFFFAOYSA-N 0 0 465.554 3.752 40 5 JHBBRN CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nn4c(CC)nnc4s3)c2)cc1[N+](=O)[O-] ZINC000057316348 569597670 /nfs/dbraw/zinc/59/76/70/569597670.db2.gz YHKLVUICPDJKGF-UHFFFAOYSA-N 0 0 497.562 3.849 40 5 JHBBRN O=C(c1cccnc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000036315261 569761947 /nfs/dbraw/zinc/76/19/47/569761947.db2.gz VYAITNNQJYRZKQ-WTEVXDJOSA-N 0 0 472.526 3.809 40 5 JHBBRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](Sc4[nH]c(=O)sc4[C@@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000100840048 569772055 /nfs/dbraw/zinc/77/20/55/569772055.db2.gz XNXJKHGEFJCZGR-RYRKJORJSA-N 0 0 483.527 3.539 40 5 JHBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101127278 569783891 /nfs/dbraw/zinc/78/38/91/569783891.db2.gz CEFWHDCPWNQIKV-VJBWXMMDSA-N 0 0 475.457 3.663 40 5 JHBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 ZINC000101193712 569786889 /nfs/dbraw/zinc/78/68/89/569786889.db2.gz QQHOFMDTDRGQOR-VSKRKVRLSA-N 0 0 474.429 3.550 40 5 JHBBRN O=C1Nc2ccccc2C(=O)C1C(c1cccc([N+](=O)[O-])c1)C1C(=O)Nc2ccccc2C1=O ZINC000039921214 569812167 /nfs/dbraw/zinc/81/21/67/569812167.db2.gz MUSYENVMJMAGBD-UHFFFAOYSA-N 0 0 455.426 3.869 40 5 JHBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000102739526 569818932 /nfs/dbraw/zinc/81/89/32/569818932.db2.gz HTCXICINKGOFAI-TZRRMPRUSA-N 0 0 489.484 3.972 40 5 JHBBRN CC(C)Cn1ccc2nc3ccn(-c4nc(SCc5ccccc5)n[nH]4)c(=O)c3cc2c1=O ZINC000040398950 569825927 /nfs/dbraw/zinc/82/59/27/569825927.db2.gz UQKCGIVZZLJPCF-UHFFFAOYSA-N 0 0 458.547 3.767 40 5 JHBBRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000040717714 569830457 /nfs/dbraw/zinc/83/04/57/569830457.db2.gz FLHNZKWDSYFHAS-UHFFFAOYSA-N 0 0 451.435 3.730 40 5 JHBBRN CC[C@H](C)N1C(=O)[C@H]2[C@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000103458962 569835150 /nfs/dbraw/zinc/83/51/50/569835150.db2.gz CSZJPPHABIOBLY-IWDKSJMNSA-N 0 0 459.502 3.852 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccco3)N3c4ccccc4C=C[C@H]23)C1O ZINC000104000714 569839753 /nfs/dbraw/zinc/83/97/53/569839753.db2.gz VFMPYJZDCPVAIX-MSYGRNIXSA-N 0 0 469.453 3.769 40 5 JHBBRN O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000106741099 569855382 /nfs/dbraw/zinc/85/53/82/569855382.db2.gz MPZOSFPSEYMERQ-YPEHOIGNSA-N 0 0 462.823 3.942 40 5 JHBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)N1CCCC1 ZINC000106770139 569855724 /nfs/dbraw/zinc/85/57/24/569855724.db2.gz YFDJKPMAALYMOK-MOSHPQCFSA-N 0 0 467.503 3.833 40 5 JHBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1[N+](=O)[O-] ZINC000138611323 569866086 /nfs/dbraw/zinc/86/60/86/569866086.db2.gz CVLGUJMERMERSO-LBPRGKRZSA-N 0 0 466.277 3.745 40 5 JHBBRN Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000138976850 569866745 /nfs/dbraw/zinc/86/67/45/569866745.db2.gz CDTVDEVTZKPQOH-UHFFFAOYSA-N 0 0 464.272 3.566 40 5 JHBBRN CCC1(CC)C[C@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c2ccccc2O1 ZINC000222737185 569889911 /nfs/dbraw/zinc/88/99/11/569889911.db2.gz IXTDHIGOQKTEDJ-SFHVURJKSA-N 0 0 475.567 3.868 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000222777674 569890851 /nfs/dbraw/zinc/89/08/51/569890851.db2.gz VIAKEDALTPQJOS-KRWDZBQOSA-N 0 0 457.527 3.623 40 5 JHBBRN C[C@@H](C(=O)Nc1nnc(SCc2ccccc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222792776 569891225 /nfs/dbraw/zinc/89/12/25/569891225.db2.gz QGPHAMVXDZQXSM-ZDUSSCGKSA-N 0 0 493.592 3.532 40 5 JHBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223074281 569898653 /nfs/dbraw/zinc/89/86/53/569898653.db2.gz BOYMRMZLOJQMCA-HOTGVXAUSA-N 0 0 477.945 3.968 40 5 JHBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223172566 569902053 /nfs/dbraw/zinc/90/20/53/569902053.db2.gz HASWQIAUMAFQQR-LJQANCHMSA-N 0 0 457.527 3.704 40 5 JHBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 ZINC000223200547 569903241 /nfs/dbraw/zinc/90/32/41/569903241.db2.gz ICNRTTXZFWCCAV-ZEQRLZLVSA-N 0 0 493.589 3.945 40 5 JHBBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223702111 569920454 /nfs/dbraw/zinc/92/04/54/569920454.db2.gz ZNIDLKVNOTUHIT-RTWAWAEBSA-N 0 0 452.492 3.785 40 5 JHBBRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223712913 569920833 /nfs/dbraw/zinc/92/08/33/569920833.db2.gz AYGGLKVDNVMXAU-HXUWFJFHSA-N 0 0 471.554 3.747 40 5 JHBBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000223733574 569921579 /nfs/dbraw/zinc/92/15/79/569921579.db2.gz IUTOUUWHTUHSKJ-FCHUYYIVSA-N 0 0 465.535 3.706 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000223786235 569923279 /nfs/dbraw/zinc/92/32/79/569923279.db2.gz MQJMGDYTHNJOKT-GOSISDBHSA-N 0 0 469.538 3.767 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000223896684 569926547 /nfs/dbraw/zinc/92/65/47/569926547.db2.gz DRWOJKOESCVXGL-MRXNPFEDSA-N 0 0 473.501 3.597 40 5 JHBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224560662 569948431 /nfs/dbraw/zinc/94/84/31/569948431.db2.gz VIDKISLLLRRQIL-JOCHJYFZSA-N 0 0 499.564 3.857 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000224672660 569953141 /nfs/dbraw/zinc/95/31/41/569953141.db2.gz HXAHWRNJCAZXQA-GOSISDBHSA-N 0 0 469.538 3.848 40 5 JHBBRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224708693 569954394 /nfs/dbraw/zinc/95/43/94/569954394.db2.gz HPJQJIZFAGXVMM-HNNXBMFYSA-N 0 0 462.344 3.842 40 5 JHBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224782461 569957360 /nfs/dbraw/zinc/95/73/60/569957360.db2.gz DBGLAAIGXGXMSP-UHFFFAOYSA-N 0 0 469.519 3.985 40 5 JHBBRN Cc1ccc(OCCNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000224822458 569959223 /nfs/dbraw/zinc/95/92/23/569959223.db2.gz GALOPJPFTOWRLY-UHFFFAOYSA-N 0 0 497.573 3.987 40 5 JHBBRN CC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224974161 569966450 /nfs/dbraw/zinc/96/64/50/569966450.db2.gz UTAWGRZECUXTAA-HXUWFJFHSA-N 0 0 490.582 3.777 40 5 JHBBRN COc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224974485 569966548 /nfs/dbraw/zinc/96/65/48/569966548.db2.gz MXKQPZHGYRYNTN-SFHVURJKSA-N 0 0 499.564 3.857 40 5 JHBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225164504 569979380 /nfs/dbraw/zinc/97/93/80/569979380.db2.gz ZEAFYMNQIFMCKL-HZPDHXFCSA-N 0 0 477.945 3.968 40 5 JHBBRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(Cl)c1 ZINC000408626212 569980587 /nfs/dbraw/zinc/98/05/87/569980587.db2.gz UYNLETODAHNQED-UHFFFAOYSA-N 0 0 455.920 3.653 40 5 JHBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225202116 569982156 /nfs/dbraw/zinc/98/21/56/569982156.db2.gz AGHHYTUREXGNBC-HZPDHXFCSA-N 0 0 477.945 3.968 40 5 JHBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000408641648 569989432 /nfs/dbraw/zinc/98/94/32/569989432.db2.gz CWZJZWBZRJULBT-IBGZPJMESA-N 0 0 488.452 3.593 40 5 JHBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000408641650 569989441 /nfs/dbraw/zinc/98/94/41/569989441.db2.gz CWZJZWBZRJULBT-LJQANCHMSA-N 0 0 488.452 3.593 40 5 JHBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1C ZINC000408641623 569989444 /nfs/dbraw/zinc/98/94/44/569989444.db2.gz CVMMUDTXEKZQHD-UJUVCNOISA-N 0 0 477.517 3.873 40 5 JHBBRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000408648277 569992771 /nfs/dbraw/zinc/99/27/71/569992771.db2.gz WUMONFGEMAWSMG-UHFFFAOYSA-N 0 0 478.299 3.875 40 5 JHBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 ZINC000408659428 569999567 /nfs/dbraw/zinc/99/95/67/569999567.db2.gz VSYBXJPFENTIKK-LSBZLQRGSA-N 0 0 483.908 3.910 40 5 JHBBRN Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C)c1Br ZINC000408661121 570000811 /nfs/dbraw/zinc/00/08/11/570000811.db2.gz DHXVQZWTULUHEV-UHFFFAOYSA-N 0 0 478.299 3.875 40 5 JHBBRN Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Br ZINC000408665511 570003976 /nfs/dbraw/zinc/00/39/76/570003976.db2.gz MHFJCDNHBSMPPQ-UHFFFAOYSA-N 0 0 478.299 3.956 40 5 JHBBRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000408665960 570004307 /nfs/dbraw/zinc/00/43/07/570004307.db2.gz MWEHFQMXZGBWQF-UHFFFAOYSA-N 0 0 453.373 3.823 40 5 JHBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1nnc(-c2ccccc2)s1 ZINC000225565237 570006079 /nfs/dbraw/zinc/00/60/79/570006079.db2.gz YSBWJPORGFHCSU-UHFFFAOYSA-N 0 0 495.542 3.947 40 5 JHBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Br)c(Cl)c1 ZINC000408669252 570006317 /nfs/dbraw/zinc/00/63/17/570006317.db2.gz NTHGHPQLHKJMMM-NSHDSACASA-N 0 0 496.701 3.546 40 5 JHBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225568852 570006405 /nfs/dbraw/zinc/00/64/05/570006405.db2.gz ZSVAUKSGLQHPHH-XMMPIXPASA-N 0 0 491.544 3.677 40 5 JHBBRN COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)cc1[N+](=O)[O-] ZINC000408670910 570007376 /nfs/dbraw/zinc/00/73/76/570007376.db2.gz JSJJYGAGRUPMPE-NIKGAXFTSA-N 0 0 480.473 3.569 40 5 JHBBRN COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)c2)cc1[N+](=O)[O-] ZINC000408670908 570007377 /nfs/dbraw/zinc/00/73/77/570007377.db2.gz JSJJYGAGRUPMPE-KYNGSXCRSA-N 0 0 480.473 3.569 40 5 JHBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408672313 570008128 /nfs/dbraw/zinc/00/81/28/570008128.db2.gz VPLCZCGLSGCEKM-GFCCVEGCSA-N 0 0 466.277 3.745 40 5 JHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CN(Cc2ccccc2)Cc2ccccc2)c1 ZINC000408672424 570008247 /nfs/dbraw/zinc/00/82/47/570008247.db2.gz WOABYDCPHOLGDC-UHFFFAOYSA-N 0 0 463.490 3.788 40 5 JHBBRN COc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3CC[C@@H](C)C[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000408673407 570008652 /nfs/dbraw/zinc/00/86/52/570008652.db2.gz RYROFRPSXULHGB-KYJSFNMBSA-N 0 0 480.473 3.569 40 5 JHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000408684112 570013418 /nfs/dbraw/zinc/01/34/18/570013418.db2.gz MVRHLCASWWXBIF-QZTJIDSGSA-N 0 0 484.852 3.665 40 5 JHBBRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000408688389 570014578 /nfs/dbraw/zinc/01/45/78/570014578.db2.gz WEPKIJWMMAKGTC-IBGZPJMESA-N 0 0 475.505 3.697 40 5 JHBBRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000408700463 570021204 /nfs/dbraw/zinc/02/12/04/570021204.db2.gz GLKSNEGTRQFQJX-UHFFFAOYSA-N 0 0 461.540 3.766 40 5 JHBBRN O=c1/c(=C\c2cccnc2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408844642 570054196 /nfs/dbraw/zinc/05/41/96/570054196.db2.gz VTEVWZIEYLREDD-JGTYQCAFSA-N 0 0 466.522 3.622 40 5 JHBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O ZINC000409094596 570126133 /nfs/dbraw/zinc/12/61/33/570126133.db2.gz DMBLDWYUBSYKRG-UZPSYVQNSA-N 0 0 472.475 3.780 40 5 JHBBRN Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1 ZINC000409145749 570146907 /nfs/dbraw/zinc/14/69/07/570146907.db2.gz RRCKGPNWWVTXNA-HNNXBMFYSA-N 0 0 468.539 3.562 40 5 JHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409149289 570148489 /nfs/dbraw/zinc/14/84/89/570148489.db2.gz AMQZZVRHGHWPHJ-ZNQKWNQWSA-N 0 0 497.960 3.668 40 5 JHBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000409179414 570158330 /nfs/dbraw/zinc/15/83/30/570158330.db2.gz MZNLRELPMAYZDY-UHFFFAOYSA-N 0 0 461.386 3.969 40 5 JHBBRN Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409182519 570159830 /nfs/dbraw/zinc/15/98/30/570159830.db2.gz MBPOBRLHOZMCRN-UHFFFAOYSA-N 0 0 461.386 3.969 40 5 JHBBRN CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260941225 570165682 /nfs/dbraw/zinc/16/56/82/570165682.db2.gz RSXIMYHDXDGUET-ZHRRBRCNSA-N 0 0 459.568 3.896 40 5 JHBBRN COCCN1C(=O)S/C(=C\c2cccc(OC)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409202170 570165737 /nfs/dbraw/zinc/16/57/37/570165737.db2.gz PIZMFPORIBARMK-LICLKQGHSA-N 0 0 475.435 3.987 40 5 JHBBRN O=C(CN1C(=O)N/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F ZINC000409211990 570170419 /nfs/dbraw/zinc/17/04/19/570170419.db2.gz PASOFZWTMCZUSH-FYJGNVAPSA-N 0 0 490.447 3.844 40 5 JHBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccccc1F ZINC000408565015 570202904 /nfs/dbraw/zinc/20/29/04/570202904.db2.gz HDIWZAAAUUPMLG-GJECAEJISA-N 0 0 477.492 3.935 40 5 JHBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000408571028 570204608 /nfs/dbraw/zinc/20/46/08/570204608.db2.gz MWOHIHMQZQGIJY-LJQANCHMSA-N 0 0 460.512 3.720 40 5 JHBBRN O=C(OCCOc1cc(OCCOC(=O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000004265548 194386653 /nfs/dbraw/zinc/38/66/53/194386653.db2.gz HJAVBUNMVIMARX-UHFFFAOYSA-N 0 0 496.428 3.975 40 5 JHBBRN Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1 ZINC000006409745 194425485 /nfs/dbraw/zinc/42/54/85/194425485.db2.gz APINHBYBZNVTDX-UHFFFAOYSA-N 0 0 453.476 3.729 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCCOCc2ccccc2)cc1)S(C)(=O)=O ZINC000224856249 195468518 /nfs/dbraw/zinc/46/85/18/195468518.db2.gz SPRAKAKTJLRGPJ-UHFFFAOYSA-N 0 0 497.573 3.816 40 5 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IAXLBQNFSIAZQD-UDFVPUEDSA-N 0 0 484.512 3.907 40 5 JHBBRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000020107726 525696009 /nfs/dbraw/zinc/69/60/09/525696009.db2.gz MNZHXSAPUCWTLX-GOSISDBHSA-N 0 0 453.520 3.976 40 5 JHBBRN O=C(OCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000020436123 526416570 /nfs/dbraw/zinc/41/65/70/526416570.db2.gz OHVNDFNQBYLYCQ-UHFFFAOYSA-N 0 0 484.597 3.906 40 5 JHBBRN O=C(O[C@@H]1[C@@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000005224039 526435917 /nfs/dbraw/zinc/43/59/17/526435917.db2.gz RQNDPNSXIWCPSZ-IIDPUWFRSA-N 0 0 489.521 3.997 40 5 JHBBRN c1ccc2nc3c(nc2c1)sc1nc(-c2nc4sc5nc6ccccc6nc5n4n2)nn13 ZINC000016545535 526518315 /nfs/dbraw/zinc/51/83/15/526518315.db2.gz CISDNJJDECGKHU-UHFFFAOYSA-N 0 0 452.488 3.755 40 5 JHBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020484412 527130407 /nfs/dbraw/zinc/13/04/07/527130407.db2.gz DCASMMKBLPTNAP-QGZVFWFLSA-N 0 0 465.959 3.861 40 5 JHBBRN O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000013563381 527466462 /nfs/dbraw/zinc/46/64/62/527466462.db2.gz POVNYKWTLKQLQK-NRFANRHFSA-N 0 0 479.558 3.901 40 5 JHBBRN COc1ccc2c3nccc4c5cc(OCC(=O)NCc6ccncc6)ccc5n(c43)c(=O)c2c1OC ZINC000008792236 554685560 /nfs/dbraw/zinc/68/55/60/554685560.db2.gz MVTAAKBDZWHJQG-UHFFFAOYSA-N 0 0 494.507 3.699 40 5 biogenic JHBBRN COc1ccc2c3nccc4c5cc(OCC(=O)NCc6cccnc6)ccc5n(c43)c(=O)c2c1OC ZINC000008792428 554686025 /nfs/dbraw/zinc/68/60/25/554686025.db2.gz BXJXGOYFZJBGFP-UHFFFAOYSA-N 0 0 494.507 3.699 40 5 biogenic JHBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccco3)N3c4ccccc4C=C[C@@H]23)C1O ZINC000009312856 555088843 /nfs/dbraw/zinc/08/88/43/555088843.db2.gz VFMPYJZDCPVAIX-IITNATTFSA-N 0 0 469.453 3.769 40 5 JHBBRN Cc1ccc(NC(=O)CSc2nnc3n2c2ccccc2c(=O)n3-c2ccccc2)c([N+](=O)[O-])c1 ZINC000009403225 555161520 /nfs/dbraw/zinc/16/15/20/555161520.db2.gz VTRAUVOUJORLFO-UHFFFAOYSA-N 0 0 486.513 3.981 40 5 JHBBRN Cc1cc(C(=O)c2ccccc2)c(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000013503372 555460668 /nfs/dbraw/zinc/46/06/68/555460668.db2.gz VNQMJESBVYNCLQ-UHFFFAOYSA-N 0 0 464.547 3.956 40 5 JHBBRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)c1 ZINC000019867823 555522042 /nfs/dbraw/zinc/52/20/42/555522042.db2.gz BZNRELONNHMFOK-UHFFFAOYSA-N 0 0 451.932 3.737 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000019868400 555522856 /nfs/dbraw/zinc/52/28/56/555522856.db2.gz ASHYPJMUUJIXFI-UHFFFAOYSA-N 0 0 451.932 3.737 40 5 JHBBRN CCN(c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584991 555522905 /nfs/dbraw/zinc/52/29/05/555522905.db2.gz UXOUOOHAORNFCV-UHFFFAOYSA-N 0 0 455.492 3.828 40 5 JHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000019868682 555523043 /nfs/dbraw/zinc/52/30/43/555523043.db2.gz BOXSEZXJVKXCSD-UHFFFAOYSA-N 0 0 455.895 3.568 40 5 JHBBRN O=C(CNC(=O)c1ccc(Cl)cc1)NCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010041906 555606500 /nfs/dbraw/zinc/60/65/00/555606500.db2.gz UFPNSOUHNXRENR-UHFFFAOYSA-N 0 0 497.891 3.630 40 5 JHBBRN COc1ccc(N(CC(=O)N(C)C2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000020039683 555613011 /nfs/dbraw/zinc/61/30/11/555613011.db2.gz FKWDNLRUDSKLFC-UHFFFAOYSA-N 0 0 461.540 3.508 40 5 JHBBRN Cc1cccc(CCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 ZINC000010110668 555620566 /nfs/dbraw/zinc/62/05/66/555620566.db2.gz DAEHGKAQXMJUSL-UHFFFAOYSA-N 0 0 467.547 3.848 40 5 JHBBRN O=c1[nH]nc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000010298168 555676057 /nfs/dbraw/zinc/67/60/57/555676057.db2.gz HBJCFSMJPOBHKX-MRXNPFEDSA-N 0 0 457.237 3.745 40 5 JHBBRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1C ZINC000010442521 555711656 /nfs/dbraw/zinc/71/16/56/555711656.db2.gz VCLJBUOLHMOOSS-UHFFFAOYSA-N 0 0 497.529 3.914 40 5 JHBBRN C[C@@H]1Cc2ccccc2N1C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000010449716 555715899 /nfs/dbraw/zinc/71/58/99/555715899.db2.gz SRJBQQIEFJYFES-QGZVFWFLSA-N 0 0 451.504 3.768 40 5 JHBBRN O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014269610 555759851 /nfs/dbraw/zinc/75/98/51/555759851.db2.gz IUBOLBZPDXBDHF-UHFFFAOYSA-N 0 0 455.323 3.865 40 5 JHBBRN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014274436 555776698 /nfs/dbraw/zinc/77/66/98/555776698.db2.gz LESHKRKJQMRIKH-UHFFFAOYSA-N 0 0 493.383 3.938 40 5 JHBBRN COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccccc2)cc1OC ZINC000014410949 555810046 /nfs/dbraw/zinc/81/00/46/555810046.db2.gz MYOUWMRZEIPZEW-UHFFFAOYSA-N 0 0 485.518 3.754 40 5 JHBBRN O=C(c1ccccn1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000020566921 555820559 /nfs/dbraw/zinc/82/05/59/555820559.db2.gz SVAIFRRTLZBRDN-VRIJDZSUSA-N 0 0 490.516 3.948 40 5 JHBBRN CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2)CC1 ZINC000021595820 555853954 /nfs/dbraw/zinc/85/39/54/555853954.db2.gz VPGAVBMGWSLBQY-UHFFFAOYSA-N 0 0 494.982 3.797 40 5 JHBBRN COc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C(C)C)n2)cc1OC ZINC000022257487 555905281 /nfs/dbraw/zinc/90/52/81/555905281.db2.gz CMNROLUORAWFKU-UHFFFAOYSA-N 0 0 470.482 3.786 40 5 JHBBRN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022537292 555933846 /nfs/dbraw/zinc/93/38/46/555933846.db2.gz BUIFLWNBHLJPOV-UHFFFAOYSA-N 0 0 455.323 3.865 40 5 JHBBRN COc1cc(CN(C(=O)c2cccc([N+](=O)[O-])c2C)C2CCCCC2)ccc1OCC(N)=O ZINC000022537490 555934281 /nfs/dbraw/zinc/93/42/81/555934281.db2.gz QFIQCBBWDRTSJM-UHFFFAOYSA-N 0 0 455.511 3.751 40 5 JHBBRN CC1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1 ZINC000022740952 555949200 /nfs/dbraw/zinc/94/92/00/555949200.db2.gz REOKPTKQEHYJAT-UHFFFAOYSA-N 0 0 483.594 3.795 40 5 JHBBRN O=C(C=Cc1ccccc1)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016450834 556139802 /nfs/dbraw/zinc/13/98/02/556139802.db2.gz AWLLHZBCYMBOLY-RMKNXTFCSA-N 0 0 464.469 3.850 40 5 JHBBRN CCCOCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOCCC)C1c1cccc([N+](=O)[O-])c1 ZINC000026891857 556265155 /nfs/dbraw/zinc/26/51/55/556265155.db2.gz VZWXXKDFACOXNT-UHFFFAOYSA-N 0 0 490.553 3.769 40 5 in-man JHBBRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc(C)c1I ZINC000057315732 569597249 /nfs/dbraw/zinc/59/72/49/569597249.db2.gz GACQNMBPGSSFKQ-UHFFFAOYSA-N 0 0 481.290 3.905 40 5 JHBBRN COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-] ZINC000057327800 569598736 /nfs/dbraw/zinc/59/87/36/569598736.db2.gz SWRNFAJVFUHMAZ-UHFFFAOYSA-N 0 0 463.475 3.611 40 5 JHBBRN CCCCOC(=O)c1cc([N+](=O)[O-])c(N2CCN(c3ccccc3OC)CC2)c([N+](=O)[O-])c1 ZINC000059489750 569605826 /nfs/dbraw/zinc/60/58/26/569605826.db2.gz LZEMFQUBMJXGNV-UHFFFAOYSA-N 0 0 458.471 3.795 40 5 JHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000059677812 569607370 /nfs/dbraw/zinc/60/73/70/569607370.db2.gz JQLSLXBRLPWYRQ-CVGPFBNFSA-N 0 0 491.569 3.830 40 5 JHBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)NC(=O)c1ccccc1F ZINC000033743330 569633194 /nfs/dbraw/zinc/63/31/94/569633194.db2.gz WPXBKCPOWASHRJ-CQSZACIVSA-N 0 0 486.529 3.876 40 5 JHBBRN CC[C@H](C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 ZINC000035104970 569675062 /nfs/dbraw/zinc/67/50/62/569675062.db2.gz DMDRZBBFVFERLT-FQEVSTJZSA-N 0 0 482.581 3.673 40 5 JHBBRN O=C(c1ccncc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035808790 569712068 /nfs/dbraw/zinc/71/20/68/569712068.db2.gz UAADHONVUAJZAA-ICLZECGLSA-N 0 0 454.486 3.898 40 5 JHBBRN CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000035828135 569712769 /nfs/dbraw/zinc/71/27/69/569712769.db2.gz PFPUIGUNWPTKRQ-YPAAYVHUSA-N 0 0 471.469 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457.464 3.522 40 5 JHBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)N1CCCC1 ZINC000205908432 569874545 /nfs/dbraw/zinc/87/45/45/569874545.db2.gz WYFDSJQQQRQFLW-YBFXNURJSA-N 0 0 498.473 3.954 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000222706088 569889120 /nfs/dbraw/zinc/88/91/20/569889120.db2.gz BMARCZQBFKKOFQ-QGZVFWFLSA-N 0 0 457.527 3.623 40 5 JHBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223086679 569899068 /nfs/dbraw/zinc/89/90/68/569899068.db2.gz ZUIREZBKQGHULY-GOSISDBHSA-N 0 0 457.527 3.624 40 5 JHBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223231884 569904297 /nfs/dbraw/zinc/90/42/97/569904297.db2.gz MQDZGDCPFMEQON-MRXNPFEDSA-N 0 0 477.945 3.969 40 5 JHBBRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223238412 569904513 /nfs/dbraw/zinc/90/45/13/569904513.db2.gz VSDDSBUHRRMKHZ-KKSFZXQISA-N 0 0 459.568 3.814 40 5 JHBBRN COCc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 ZINC000223526776 569914606 /nfs/dbraw/zinc/91/46/06/569914606.db2.gz SKHDCYDWRKPRGJ-UHFFFAOYSA-N 0 0 455.492 3.575 40 5 JHBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223623519 569918251 /nfs/dbraw/zinc/91/82/51/569918251.db2.gz BJXHBRYBSRPXFB-HXUWFJFHSA-N 0 0 487.553 3.713 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)o1 ZINC000223634129 569918535 /nfs/dbraw/zinc/91/85/35/569918535.db2.gz XBJGVVVZSMIPST-NHCUHLMSSA-N 0 0 454.508 3.613 40 5 JHBBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223702207 569920455 /nfs/dbraw/zinc/92/04/55/569920455.db2.gz ZNIDLKVNOTUHIT-NHCUHLMSSA-N 0 0 452.492 3.785 40 5 JHBBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000223708903 569920701 /nfs/dbraw/zinc/92/07/01/569920701.db2.gz YXQBUEAYZJNYPI-RTWAWAEBSA-N 0 0 452.492 3.785 40 5 JHBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223734302 569921580 /nfs/dbraw/zinc/92/15/80/569921580.db2.gz AJICOEPFYXBEDL-RUZDIDTESA-N 0 0 475.545 3.922 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000223806446 569923915 /nfs/dbraw/zinc/92/39/15/569923915.db2.gz JEZYMVMUVJTRBS-GOSISDBHSA-N 0 0 469.538 3.767 40 5 JHBBRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223958958 569928452 /nfs/dbraw/zinc/92/84/52/569928452.db2.gz KSRVKOOASCFDQL-ZDUSSCGKSA-N 0 0 484.336 3.842 40 5 JHBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224598066 569949995 /nfs/dbraw/zinc/94/99/95/569949995.db2.gz OZRJZUXYGWIHEF-QFIPXVFZSA-N 0 0 499.564 3.857 40 5 JHBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224625789 569951337 /nfs/dbraw/zinc/95/13/37/569951337.db2.gz YMSNTDGOZRTQPX-OAQYLSRUSA-N 0 0 471.554 3.870 40 5 JHBBRN 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CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 ZINC000008896996 554787008 /nfs/dbraw/zinc/78/70/08/554787008.db2.gz MEOZDPRTLQIOCP-UHFFFAOYSA-N 0 0 489.985 3.680 40 5 JHBBRN O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000009064687 554883083 /nfs/dbraw/zinc/88/30/83/554883083.db2.gz QSZVYFRIYVEZST-UHFFFAOYSA-N 0 0 469.548 3.682 40 5 JHBBRN CC1=C[C@H]2[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 ZINC000009423282 555188076 /nfs/dbraw/zinc/18/80/76/555188076.db2.gz QNPDOFCZLATMOX-LNRXMEIDSA-N 0 0 459.502 3.852 40 5 JHBBRN CC(C)(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013503968 555462428 /nfs/dbraw/zinc/46/24/28/555462428.db2.gz LFQAMKACFUXOCH-FQEVSTJZSA-N 0 0 455.950 3.901 40 5 JHBBRN O=[N+]([O-])c1ccc(N2CCN([C@@H](c3nnnn3CCc3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000013505461 555466645 /nfs/dbraw/zinc/46/66/45/555466645.db2.gz ZVDOZHKPTSFOHB-RUZDIDTESA-N 0 0 487.539 3.875 40 5 JHBBRN 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O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N1CCCc2ccccc21 ZINC000010449507 555715363 /nfs/dbraw/zinc/71/53/63/555715363.db2.gz XOQOUTASRAOZMY-UHFFFAOYSA-N 0 0 451.504 3.770 40 5 JHBBRN CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])c(C)c3)nn12 ZINC000014269256 555758218 /nfs/dbraw/zinc/75/82/18/555758218.db2.gz ICQBJAQRROTAEB-UHFFFAOYSA-N 0 0 467.536 3.759 40 5 JHBBRN O=C(NC(=S)Nc1ccc2c3c(cccc31)CC2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014269593 555759511 /nfs/dbraw/zinc/75/95/11/555759511.db2.gz DNAFGKIQZQABOL-UHFFFAOYSA-N 0 0 462.531 3.810 40 5 JHBBRN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 ZINC000014274440 555776717 /nfs/dbraw/zinc/77/67/17/555776717.db2.gz FDXFFXKQLBURLT-UHFFFAOYSA-N 0 0 499.574 3.690 40 5 JHBBRN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020410791 555787819 /nfs/dbraw/zinc/78/78/19/555787819.db2.gz NCPSYDRCCWYIBN-UHFFFAOYSA-N 0 0 450.289 3.763 40 5 JHBBRN 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570003967 /nfs/dbraw/zinc/00/39/67/570003967.db2.gz MEFHPOBFWBNPHN-UHFFFAOYSA-N 0 0 494.298 3.657 40 5 JHBBRN COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])cc1 ZINC000408665410 570003971 /nfs/dbraw/zinc/00/39/71/570003971.db2.gz FAJAMASWDNYWTG-UHFFFAOYSA-N 0 0 464.430 3.639 40 5 JHBBRN COc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3CC[C@H](C)C[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000408673410 570008642 /nfs/dbraw/zinc/00/86/42/570008642.db2.gz RYROFRPSXULHGB-LESCRADOSA-N 0 0 480.473 3.569 40 5 JHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000408683796 570013400 /nfs/dbraw/zinc/01/34/00/570013400.db2.gz MEIXGIYLPPMLMW-OALUTQOASA-N 0 0 484.306 3.866 40 5 JHBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408687226 570014255 /nfs/dbraw/zinc/01/42/55/570014255.db2.gz TXPDNISUNAXJJC-XMCHAPAWSA-N 0 0 483.908 3.910 40 5 JHBBRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000408703230 570023097 /nfs/dbraw/zinc/02/30/97/570023097.db2.gz PXIJSVDOZYZIDJ-UHFFFAOYSA-N 0 0 467.931 3.930 40 5 JHBBRN O=C([C@@H]1[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)NC(=O)N[C@@]1(O)c1ccccc1)C(F)(F)F ZINC000227032362 570039705 /nfs/dbraw/zinc/03/97/05/570039705.db2.gz BUHIPWQUUOSWCH-WAOWUJCRSA-N 0 0 475.379 3.802 40 5 JHBBRN CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)C1 ZINC000408998409 570095823 /nfs/dbraw/zinc/09/58/23/570095823.db2.gz UKFIKTXXVHEADP-INIZCTEOSA-N 0 0 479.606 3.831 40 5 JHBBRN COC(=O)C(=Cc1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1)C(=O)OC ZINC000409084881 570122839 /nfs/dbraw/zinc/12/28/39/570122839.db2.gz YDMRUNWIRPSRSB-UHFFFAOYSA-N 0 0 466.786 3.687 40 5 JHBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1 ZINC000409088263 570123901 /nfs/dbraw/zinc/12/39/01/570123901.db2.gz KPVRDTFQDBVTTG-UDWIEESQSA-N 0 0 473.445 3.622 40 5 JHBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)C2=O)cc1 ZINC000409105375 570129903 /nfs/dbraw/zinc/12/99/03/570129903.db2.gz IWRNBBMWDILTMI-VXLYETTFSA-N 0 0 487.490 3.686 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000409119863 570135406 /nfs/dbraw/zinc/13/54/06/570135406.db2.gz RFRQFVVQOJVIIL-UHFFFAOYSA-N 0 0 481.836 3.680 40 5 JHBBRN COCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000409131060 570140169 /nfs/dbraw/zinc/14/01/69/570140169.db2.gz MVUZSXNCYQCXHP-VCHYOVAHSA-N 0 0 475.435 3.987 40 5 JHBBRN COc1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 ZINC000409153193 570149760 /nfs/dbraw/zinc/14/97/60/570149760.db2.gz LPQSGKKEMWCCQV-LJQANCHMSA-N 0 0 484.538 3.579 40 5 JHBBRN CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000409153735 570149872 /nfs/dbraw/zinc/14/98/72/570149872.db2.gz MWDBJNXKWCWMPK-LJQANCHMSA-N 0 0 468.539 3.581 40 5 JHBBRN COc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409189706 570161469 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569993042 /nfs/dbraw/zinc/99/30/42/569993042.db2.gz KFTDCVTZCXQKRN-YFZFPPMRSA-N 0 0 481.892 3.686 40 5 JHBBRN COc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408651661 569994405 /nfs/dbraw/zinc/99/44/05/569994405.db2.gz NSPBNYJISMGRNY-UHFFFAOYSA-N 0 0 493.859 3.793 40 5 JHBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)cc1C ZINC000408653013 569995291 /nfs/dbraw/zinc/99/52/91/569995291.db2.gz PLWADEOLHKWJTM-FGZHOGPDSA-N 0 0 475.501 3.793 40 5 JHBBRN COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)c2)cc1[N+](=O)[O-] ZINC000408670913 570007375 /nfs/dbraw/zinc/00/73/75/570007375.db2.gz JSJJYGAGRUPMPE-ZMYBRWDISA-N 0 0 480.473 3.569 40 5 JHBBRN COc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225667427 570013525 /nfs/dbraw/zinc/01/35/25/570013525.db2.gz OCCWWQFSBDNVGR-QGZVFWFLSA-N 0 0 459.568 3.779 40 5 JHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 ZINC000408688934 570014653 /nfs/dbraw/zinc/01/46/53/570014653.db2.gz XGWQIUJQHKGHLG-MJWYBRSISA-N 0 0 498.879 3.911 40 5 JHBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCSC1CCCC1 ZINC000225883595 570026362 /nfs/dbraw/zinc/02/63/62/570026362.db2.gz YLWJFDWDBZTNMX-UHFFFAOYSA-N 0 0 463.581 3.582 40 5 JHBBRN CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731457 570029265 /nfs/dbraw/zinc/02/92/65/570029265.db2.gz MTAWDSHHUPHTKS-OAQYLSRUSA-N 0 0 471.535 3.928 40 5 JHBBRN O=C(NCc1ccccc1)[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2O1 ZINC000225989969 570031256 /nfs/dbraw/zinc/03/12/56/570031256.db2.gz ACAZGDDAPQQNPO-HSZRJFAPSA-N 0 0 457.486 3.737 40 5 JHBBRN O=C([C@@H]1[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)NC(=O)N[C@]1(O)c1ccccc1)C(F)(F)F ZINC000254306757 570105546 /nfs/dbraw/zinc/10/55/46/570105546.db2.gz BUHIPWQUUOSWCH-UEXGIBASSA-N 0 0 475.379 3.802 40 5 JHBBRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1 ZINC000409116345 570134234 /nfs/dbraw/zinc/13/42/34/570134234.db2.gz KBNABWDMMURBDT-UHFFFAOYSA-N 0 0 485.518 3.836 40 5 JHBBRN COc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409131523 570140398 /nfs/dbraw/zinc/14/03/98/570140398.db2.gz YDGZAZJLWHTYPZ-HXUWFJFHSA-N 0 0 498.565 3.590 40 5 JHBBRN Cc1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1 ZINC000409141158 570144576 /nfs/dbraw/zinc/14/45/76/570144576.db2.gz ULNFQYHTSSNFOA-FQEVSTJZSA-N 0 0 482.566 3.890 40 5 JHBBRN CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccccc1C(C)C ZINC000409141739 570144977 /nfs/dbraw/zinc/14/49/77/570144977.db2.gz JWTCRIRZIHXSSP-UHFFFAOYSA-N 0 0 482.566 3.990 40 5 JHBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C ZINC000409143407 570145586 /nfs/dbraw/zinc/14/55/86/570145586.db2.gz NDJVPIWHALKAJH-BPAFIMBUSA-N 0 0 488.614 3.637 40 5 JHBBRN Cc1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 ZINC000409161570 570152142 /nfs/dbraw/zinc/15/21/42/570152142.db2.gz VVIQFJZGAMDISL-IBGZPJMESA-N 0 0 468.539 3.879 40 5 JHBBRN CCOc1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 ZINC000409167499 570153735 /nfs/dbraw/zinc/15/37/35/570153735.db2.gz IRPKMZGXBIBHSK-HXUWFJFHSA-N 0 0 498.565 3.970 40 5 JHBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc([N+](=O)[O-])c4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000409179119 570158253 /nfs/dbraw/zinc/15/82/53/570158253.db2.gz PGMIFIWQCCYERG-UHFFFAOYSA-N 0 0 461.386 3.969 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)S(C)(=O)=O ZINC000260892733 570162089 /nfs/dbraw/zinc/16/20/89/570162089.db2.gz FFAYPMFTEVRQBY-CQSZACIVSA-N 0 0 492.579 3.654 40 5 JHBBRN O=C(Oc1ccccc1/C=C1/N=C(c2ccc3c(c2)OCO3)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409192988 570162624 /nfs/dbraw/zinc/16/26/24/570162624.db2.gz GWRRIIXTCSBNOK-WOJGMQOQSA-N 0 0 458.382 3.887 40 5 JHBBRN O=C(CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccccc1F ZINC000409201393 570165511 /nfs/dbraw/zinc/16/55/11/570165511.db2.gz MQUPAPBLJBTWSZ-LPYMAVHISA-N 0 0 490.447 3.844 40 5 JHBBRN Cc1ccc(-c2ccc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)o2)cc1[N+](=O)[O-] ZINC000409208442 570168209 /nfs/dbraw/zinc/16/82/09/570168209.db2.gz BSFIEJABPLPIKE-WOJGMQOQSA-N 0 0 464.409 3.834 40 5 JHBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O)N1CCCC1 ZINC000408552361 570195563 /nfs/dbraw/zinc/19/55/63/570195563.db2.gz RZXHIURZSAGPQN-DEDYPNTBSA-N 0 0 467.503 3.833 40 5 JHBBRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000408561144 570200818 /nfs/dbraw/zinc/20/08/18/570200818.db2.gz QYHPZSNWJREUHV-UHFFFAOYSA-N 0 0 467.931 3.605 40 5 JHBBRN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000003467901 194331151 /nfs/dbraw/zinc/33/11/51/194331151.db2.gz WZPDSRFGDDYWRX-UHFFFAOYSA-N 0 0 467.478 3.620 40 5 JHBBRN CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1Br ZINC000020611735 195185620 /nfs/dbraw/zinc/18/56/20/195185620.db2.gz SOBDDXUKZBXRGH-UHFFFAOYSA-N 0 0 450.289 3.845 40 5 JHBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000021578333 195316481 /nfs/dbraw/zinc/31/64/81/195316481.db2.gz CTGCYAQUYYIVAB-UHFFFAOYSA-N 0 0 460.918 3.714 40 5 JHBBRN Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000019868404 525831559 /nfs/dbraw/zinc/83/15/59/525831559.db2.gz AGORFAILFZWTJS-UHFFFAOYSA-N 0 0 451.932 3.737 40 5 JHBBRN Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000016347826 526143022 /nfs/dbraw/zinc/14/30/22/526143022.db2.gz ODIWESGVCSPACX-UHFFFAOYSA-N 0 0 468.457 3.885 40 5 JHBBRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000002782345 526671490 /nfs/dbraw/zinc/67/14/90/526671490.db2.gz SNAMWORFTMMWEA-UHFFFAOYSA-N 0 0 482.349 3.688 40 5 JHBBRN O=C(c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000022564699 526684333 /nfs/dbraw/zinc/68/43/33/526684333.db2.gz PSFAFQONAIQIFM-UHFFFAOYSA-N 0 0 457.893 3.590 40 5 JHBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000022429834 526703975 /nfs/dbraw/zinc/70/39/75/526703975.db2.gz OTJPSDAHXHJURN-UHFFFAOYSA-N 0 0 494.529 3.556 40 5 JHBBRN COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC000003776578 554470982 /nfs/dbraw/zinc/47/09/82/554470982.db2.gz KOZFSFOOLUUIGY-IYYJOCMQSA-N 0 0 467.481 3.655 40 5 in-vitro JHBBRN CC[C@@]1(c2ccc(N3C(=O)c4cccc5cc([N+](=O)[O-])cc(c54)C3=O)cc2)CCC(=O)NC1=O ZINC000005541754 554491962 /nfs/dbraw/zinc/49/19/62/554491962.db2.gz ZYEWDZIBJWUOAY-VWLOTQADSA-N 0 0 457.442 3.633 40 5 JHBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nn12 ZINC000008831543 554722709 /nfs/dbraw/zinc/72/27/09/554722709.db2.gz MHTMYALWUVJWKH-UHFFFAOYSA-N 0 0 467.536 3.813 40 5 JHBBRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000008835420 554734410 /nfs/dbraw/zinc/73/44/10/554734410.db2.gz WGUYFSQCPDIVCS-UHFFFAOYSA-N 0 0 484.563 3.890 40 5 JHBBRN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C(C)c3ccccc3N1[C@@H]2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000008993388 554853666 /nfs/dbraw/zinc/85/36/66/554853666.db2.gz ZVLKSWDBHGRLPT-ODAXIHTASA-N 0 0 459.502 3.853 40 5 JHBBRN Cc1ccccc1-n1c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2c2ccccc2c1=O ZINC000009493080 555274315 /nfs/dbraw/zinc/27/43/15/555274315.db2.gz CQKHIHRSFGQXMR-UHFFFAOYSA-N 0 0 486.513 3.981 40 5 JHBBRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1C ZINC000013424585 555398658 /nfs/dbraw/zinc/39/86/58/555398658.db2.gz WJNLDUSWXFNVGH-UHFFFAOYSA-N 0 0 463.903 3.695 40 5 JHBBRN COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000019856393 555515368 /nfs/dbraw/zinc/51/53/68/555515368.db2.gz IXGZCBNETYIMMR-UHFFFAOYSA-N 0 0 485.518 3.754 40 5 JHBBRN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(C(=O)c3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000013633000 555542882 /nfs/dbraw/zinc/54/28/82/555542882.db2.gz YHYMXOZNVPSXRM-UHFFFAOYSA-N 0 0 478.549 3.849 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1cccc(NC(C)=O)c1 ZINC000019929477 555546811 /nfs/dbraw/zinc/54/68/11/555546811.db2.gz BIZSTZAXYDNTRK-UHFFFAOYSA-N 0 0 454.512 3.871 40 5 JHBBRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020009837 555585557 /nfs/dbraw/zinc/58/55/57/555585557.db2.gz DHXGSZYGSKBDAM-LJQANCHMSA-N 0 0 489.937 3.785 40 5 JHBBRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000010010454 555592744 /nfs/dbraw/zinc/59/27/44/555592744.db2.gz VYGPXNAPRMVCDV-UHFFFAOYSA-N 0 0 471.945 3.769 40 5 JHBBRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000020107728 555641951 /nfs/dbraw/zinc/64/19/51/555641951.db2.gz MNZHXSAPUCWTLX-SFHVURJKSA-N 0 0 453.520 3.976 40 5 JHBBRN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014269612 555759782 /nfs/dbraw/zinc/75/97/82/555759782.db2.gz QLVCJDRGUVSDTP-UHFFFAOYSA-N 0 0 455.323 3.865 40 5 JHBBRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)cc2Cl)CC1 ZINC000014276734 555784167 /nfs/dbraw/zinc/78/41/67/555784167.db2.gz VYGLVAJCTGLQSL-UHFFFAOYSA-N 0 0 489.985 3.742 40 5 JHBBRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000022565362 555935995 /nfs/dbraw/zinc/93/59/95/555935995.db2.gz LRMLIIYAVNIETN-CQSZACIVSA-N 0 0 458.540 3.777 40 5 JHBBRN CC(=O)c1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000015676040 555936060 /nfs/dbraw/zinc/93/60/60/555936060.db2.gz VNPAFKZQVNJLHR-FQEVSTJZSA-N 0 0 473.449 3.902 40 5 biogenic,in-vitro JHBBRN CCc1cc(I)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022718071 555947928 /nfs/dbraw/zinc/94/79/28/555947928.db2.gz YUOVNRSBKNIZJZ-UHFFFAOYSA-N 0 0 481.290 3.851 40 5 JHBBRN Cc1ccccc1C(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016362574 556136589 /nfs/dbraw/zinc/13/65/89/556136589.db2.gz GRUAXZPVWDIADQ-UHFFFAOYSA-N 0 0 452.458 3.759 40 5 JHBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000016637090 556148964 /nfs/dbraw/zinc/14/89/64/556148964.db2.gz CXNIDKGCNLNYLN-UHFFFAOYSA-N 0 0 450.904 3.879 40 5 JHBBRN COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN21 ZINC000017112521 556217630 /nfs/dbraw/zinc/21/76/30/556217630.db2.gz IAXLBQNFSIAZQD-TTZMFTMZSA-N 0 0 484.512 3.907 40 5 JHBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000018208481 556310115 /nfs/dbraw/zinc/31/01/15/556310115.db2.gz URRNKCCGLYISGN-VJBWXMMDSA-N 0 0 493.447 3.802 40 5 JHBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000018208483 556310196 /nfs/dbraw/zinc/31/01/96/556310196.db2.gz URRNKCCGLYISGN-VABKMULXSA-N 0 0 493.447 3.802 40 5 JHBBRN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 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569826789 /nfs/dbraw/zinc/82/67/89/569826789.db2.gz QGXSBBYRBRCORE-GFCCVEGCSA-N 0 0 489.275 3.793 40 5 JHBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O ZINC000103932775 569839396 /nfs/dbraw/zinc/83/93/96/569839396.db2.gz CGCRXLSKRHHLNI-MBDNFAEBSA-N 0 0 459.502 3.908 40 5 JHBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000107642042 569856876 /nfs/dbraw/zinc/85/68/76/569856876.db2.gz LVGMWESKQZVLCY-HNNXBMFYSA-N 0 0 498.565 3.745 40 5 JHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)o1 ZINC000108033583 569858328 /nfs/dbraw/zinc/85/83/28/569858328.db2.gz IITNXAVGCMBMCU-YBEGLDIGSA-N 0 0 451.391 3.636 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000108107564 569858632 /nfs/dbraw/zinc/85/86/32/569858632.db2.gz RBPBHXZPWVNXTM-HNNXBMFYSA-N 0 0 468.539 3.736 40 5 JHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3Oc3ccc([N+](=O)[O-])cn3)C2=O)o1 ZINC000108259668 569859335 /nfs/dbraw/zinc/85/93/35/569859335.db2.gz YIDVLPSMVKASLY-SXGWCWSVSA-N 0 0 498.835 3.908 40 5 JHBBRN COC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000205756315 569874266 /nfs/dbraw/zinc/87/42/66/569874266.db2.gz CNVNBRGDFXXQQQ-CAOOACKPSA-N 0 0 489.418 3.513 40 5 JHBBRN CC[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223011885 569896785 /nfs/dbraw/zinc/89/67/85/569896785.db2.gz UHRGYHHCZKVJFQ-INIZCTEOSA-N 0 0 475.552 3.605 40 5 JHBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)o2)cc1 ZINC000223209133 569903553 /nfs/dbraw/zinc/90/35/53/569903553.db2.gz WRUKBWJZOCSZPR-ZEQRLZLVSA-N 0 0 493.589 3.945 40 5 JHBBRN CCCc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000223526937 569914612 /nfs/dbraw/zinc/91/46/12/569914612.db2.gz WCGICEVGZOFKCX-UHFFFAOYSA-N 0 0 497.573 3.938 40 5 JHBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223623459 569918238 /nfs/dbraw/zinc/91/82/38/569918238.db2.gz BJXHBRYBSRPXFB-FQEVSTJZSA-N 0 0 487.553 3.713 40 5 JHBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223668023 569919456 /nfs/dbraw/zinc/91/94/56/569919456.db2.gz IECCOJUAHVBIJE-FQEVSTJZSA-N 0 0 487.553 3.713 40 5 JHBBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000223708875 569920652 /nfs/dbraw/zinc/92/06/52/569920652.db2.gz YXQBUEAYZJNYPI-SFTDATJTSA-N 0 0 452.492 3.785 40 5 JHBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223816759 569924199 /nfs/dbraw/zinc/92/41/99/569924199.db2.gz OWBCESOJKPWRNY-FQEVSTJZSA-N 0 0 475.517 3.845 40 5 JHBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223836339 569924717 /nfs/dbraw/zinc/92/47/17/569924717.db2.gz KMBWRAJTEMBOCF-HNNXBMFYSA-N 0 0 463.918 3.579 40 5 JHBBRN Cc1cccc(OCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1C ZINC000223905650 569926809 /nfs/dbraw/zinc/92/68/09/569926809.db2.gz DINVHBPCJIZUOD-UHFFFAOYSA-N 0 0 483.546 3.602 40 5 JHBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223914737 569927118 /nfs/dbraw/zinc/92/71/18/569927118.db2.gz VTLRXLPCTKVONQ-ZDUSSCGKSA-N 0 0 484.336 3.842 40 5 JHBBRN Cc1ccc(C)c(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 ZINC000223985655 569929508 /nfs/dbraw/zinc/92/95/08/569929508.db2.gz QTXGKGYIUMTSHZ-UHFFFAOYSA-N 0 0 483.546 3.602 40 5 JHBBRN COc1cc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224107070 569933437 /nfs/dbraw/zinc/93/34/37/569933437.db2.gz UIVKGAWUERCTEZ-GOSISDBHSA-N 0 0 469.538 3.501 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224697941 569953941 /nfs/dbraw/zinc/95/39/41/569953941.db2.gz BIOOJALQBWVIMD-INIZCTEOSA-N 0 0 473.501 3.597 40 5 JHBBRN CC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224890569 569962047 /nfs/dbraw/zinc/96/20/47/569962047.db2.gz MMIJEEIUNWZKJH-INIZCTEOSA-N 0 0 475.445 3.985 40 5 JHBBRN Cc1ccc(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1C ZINC000224936736 569964092 /nfs/dbraw/zinc/96/40/92/569964092.db2.gz RAUMUQFXOMIQEW-UHFFFAOYSA-N 0 0 483.974 3.606 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000224975134 569966675 /nfs/dbraw/zinc/96/66/75/569966675.db2.gz WGXZGGMCXQLGTN-UHFFFAOYSA-N 0 0 490.582 3.779 40 5 JHBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225045857 569971597 /nfs/dbraw/zinc/97/15/97/569971597.db2.gz AXWSRXMDEMHWSY-QZTJIDSGSA-N 0 0 457.527 3.623 40 5 JHBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225164582 569979348 /nfs/dbraw/zinc/97/93/48/569979348.db2.gz ZEAFYMNQIFMCKL-CVEARBPZSA-N 0 0 477.945 3.968 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)S(C)(=O)=O ZINC000225170774 569979925 /nfs/dbraw/zinc/97/99/25/569979925.db2.gz FFAYPMFTEVRQBY-AWEZNQCLSA-N 0 0 492.579 3.654 40 5 JHBBRN CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000408638272 569987736 /nfs/dbraw/zinc/98/77/36/569987736.db2.gz QNLFMAVNQCAVQV-IBGZPJMESA-N 0 0 482.489 3.721 40 5 JHBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(OC(=O)c2cccs2)cc1 ZINC000408638819 569988028 /nfs/dbraw/zinc/98/80/28/569988028.db2.gz SYOLEAYSBGIFAA-INIZCTEOSA-N 0 0 494.481 3.655 40 5 JHBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408642323 569989714 /nfs/dbraw/zinc/98/97/14/569989714.db2.gz OAHMKJSTEHORJI-MRXNPFEDSA-N 0 0 485.452 3.662 40 5 JHBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1[N+](=O)[O-] ZINC000408643140 569990034 /nfs/dbraw/zinc/99/00/34/569990034.db2.gz FPCRAMOZYVLXNN-LBPRGKRZSA-N 0 0 451.262 3.989 40 5 JHBBRN CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000408645251 569991283 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ZINC000408662434 570001707 /nfs/dbraw/zinc/00/17/07/570001707.db2.gz ILKFBZSDOGAKGI-UHFFFAOYSA-N 0 0 478.299 3.875 40 5 JHBBRN C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000408662816 570001964 /nfs/dbraw/zinc/00/19/64/570001964.db2.gz NRJOJXBRJMDEHE-HNNXBMFYSA-N 0 0 473.441 3.748 40 5 JHBBRN C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000408662818 570001983 /nfs/dbraw/zinc/00/19/83/570001983.db2.gz NRJOJXBRJMDEHE-OAHLLOKOSA-N 0 0 473.441 3.748 40 5 JHBBRN Cc1cccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)c1C ZINC000408665185 570003760 /nfs/dbraw/zinc/00/37/60/570003760.db2.gz ONZUTJUQKDKVMC-QGZVFWFLSA-N 0 0 499.479 3.971 40 5 JHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225544196 570004353 /nfs/dbraw/zinc/00/43/53/570004353.db2.gz LEOSJPLKYDYXIQ-DEOSSOPVSA-N 0 0 491.544 3.677 40 5 JHBBRN COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1[N+](=O)[O-] ZINC000408668211 570005806 /nfs/dbraw/zinc/00/58/06/570005806.db2.gz CVMFEWLNVGUQMW-NIKGAXFTSA-N 0 0 480.473 3.569 40 5 JHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000408669014 570006255 /nfs/dbraw/zinc/00/62/55/570006255.db2.gz VPNLBGRDGNRBTB-UHFFFAOYSA-N 0 0 463.874 3.856 40 5 JHBBRN CCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408669135 570006371 /nfs/dbraw/zinc/00/63/71/570006371.db2.gz WRHVRYIQSPDBPI-UHFFFAOYSA-N 0 0 485.493 3.842 40 5 JHBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Br)cc1Cl ZINC000408672446 570008298 /nfs/dbraw/zinc/00/82/98/570008298.db2.gz ZDKZRNYKBGFREE-LLVKDONJSA-N 0 0 496.701 3.546 40 5 JHBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 ZINC000408678738 570011387 /nfs/dbraw/zinc/01/13/87/570011387.db2.gz CTOHBRPWXJJANV-YFZFPPMRSA-N 0 0 481.892 3.686 40 5 JHBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000408687224 570014253 /nfs/dbraw/zinc/01/42/53/570014253.db2.gz TXPDNISUNAXJJC-VOBQZIQPSA-N 0 0 483.908 3.910 40 5 JHBBRN O=C(CCc1nc(-c2ccc(I)cc2)no1)Nc1cccc([N+](=O)[O-])c1 ZINC000225839312 570024158 /nfs/dbraw/zinc/02/41/58/570024158.db2.gz AZKYGFMLEQHHIB-UHFFFAOYSA-N 0 0 464.219 3.821 40 5 JHBBRN O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2O1 ZINC000225989988 570031312 /nfs/dbraw/zinc/03/13/12/570031312.db2.gz OSIAERXYMXKVQU-DEOSSOPVSA-N 0 0 471.513 3.780 40 5 JHBBRN CCOC1=C[C@H](C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)CC=C1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408926607 570078573 /nfs/dbraw/zinc/07/85/73/570078573.db2.gz UUAMMVVSPXQKLS-CQSZACIVSA-N 0 0 495.492 3.882 40 5 JHBBRN COc1cc2nc3ccc(NC(=S)N4CCN(c5ccccn5)CC4)cc3nc2cc1OC ZINC000409001828 570096498 /nfs/dbraw/zinc/09/64/98/570096498.db2.gz WWYZJUSNYCLXGG-UHFFFAOYSA-N 0 0 460.563 3.714 40 5 JHBBRN CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(Cl)cc1C ZINC000409124776 570137336 /nfs/dbraw/zinc/13/73/36/570137336.db2.gz CNFMAMCURUNBPV-UHFFFAOYSA-N 0 0 488.957 3.829 40 5 JHBBRN COc1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1 ZINC000409141200 570144702 /nfs/dbraw/zinc/14/47/02/570144702.db2.gz UPMSLKRBISZMOC-HXUWFJFHSA-N 0 0 498.565 3.590 40 5 JHBBRN CCn1c(SCC(=O)Nc2ncccc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409148538 570148184 /nfs/dbraw/zinc/14/81/84/570148184.db2.gz ZRTUTOZWCMJSMX-IBGZPJMESA-N 0 0 497.581 3.768 40 5 JHBBRN CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1C ZINC000409152367 570149504 /nfs/dbraw/zinc/14/95/04/570149504.db2.gz KDNQXAZANDSSAE-LJQANCHMSA-N 0 0 468.539 3.581 40 5 JHBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N[C@H](C)c2ccccc2)n[nH]1 ZINC000409153429 570149768 /nfs/dbraw/zinc/14/97/68/570149768.db2.gz CYEIWNPQUYISQM-QRWLVFNGSA-N 0 0 482.566 3.810 40 5 JHBBRN COc1ccc(C)cc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409156971 570150846 /nfs/dbraw/zinc/15/08/46/570150846.db2.gz TWAANHDSSUIXFB-FQEVSTJZSA-N 0 0 498.565 3.888 40 5 JHBBRN Cc1cc(C)nc(Sc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2[N+](=O)[O-])n1 ZINC000409160905 570152027 /nfs/dbraw/zinc/15/20/27/570152027.db2.gz KGPHVPAGIATSNL-YBFXNURJSA-N 0 0 461.528 3.923 40 5 JHBBRN O=C(CN1C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1F ZINC000409215983 570172470 /nfs/dbraw/zinc/17/24/70/570172470.db2.gz CSQXWIAPYQVRLX-BOPFTXTBSA-N 0 0 450.382 3.525 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000409244883 570183740 /nfs/dbraw/zinc/18/37/40/570183740.db2.gz KAIFKBQAHBPKNL-KRWDZBQOSA-N 0 0 469.519 3.960 40 5 JHBBRN Cn1c2cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408529832 570187430 /nfs/dbraw/zinc/18/74/30/570187430.db2.gz JPNBODPMAGLHBA-IUXPMGMMSA-N 0 0 458.883 3.675 40 5 JHBBRN COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000409270165 570189153 /nfs/dbraw/zinc/18/91/53/570189153.db2.gz CSHASZRQFITWIW-UHFFFAOYSA-N 0 0 455.492 3.746 40 5 JHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408572555 570205012 /nfs/dbraw/zinc/20/50/12/570205012.db2.gz JWRNACAGLUZDJG-UHFFFAOYSA-N 0 0 498.605 3.906 40 5 JHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(O[C@H](C)CC)c3)CC2)c([N+](=O)[O-])c1 ZINC000408577000 570206078 /nfs/dbraw/zinc/20/60/78/570206078.db2.gz ZIUKZKNDXYKLBM-QGZVFWFLSA-N 0 0 455.511 3.911 40 5 JHBBRN O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004008960 194369263 /nfs/dbraw/zinc/36/92/63/194369263.db2.gz HRIZMLSRXBNFRM-ZVLVQXPOSA-N 0 0 480.860 3.599 40 5 JHBBRN Cc1ccc(C(=O)c2nn(-c3ccccc3)c3c(O)n(-c4cccc([N+](=O)[O-])c4)c(O)c23)cc1 ZINC000003849288 194364658 /nfs/dbraw/zinc/36/46/58/194364658.db2.gz IMSWHKUSJVUOFT-UNMCSNQZSA-N 0 0 454.442 3.520 40 5 JHBBRN O=C(CN1[C@@H]2CC[C@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000012644012 195072985 /nfs/dbraw/zinc/07/29/85/195072985.db2.gz FCOFHZPCPTUQEB-SJGJPPQQSA-N 0 0 481.597 3.797 40 5 JHBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1[N+](=O)[O-] ZINC000020611522 195185200 /nfs/dbraw/zinc/18/52/00/195185200.db2.gz VCQJICBSXBZGPO-UHFFFAOYSA-N 0 0 450.289 3.845 40 5 JHBBRN CC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020098382 519184378 /nfs/dbraw/zinc/18/43/78/519184378.db2.gz SHSHVOCTKFNCFZ-HSZRJFAPSA-N 0 0 472.553 3.796 40 5 JHBBRN CCOC(=O)C1C(Nc2ccccc2)=C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009245665 520536833 /nfs/dbraw/zinc/53/68/33/520536833.db2.gz UXGJVFWQBGZVEQ-JLRUASKGSA-N 0 0 468.506 3.942 40 5 JHBBRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000020007339 523851057 /nfs/dbraw/zinc/85/10/57/523851057.db2.gz PZHNQJLGYLKCCD-HXUWFJFHSA-N 0 0 483.546 3.749 40 5 JHBBRN C[C@@H]1Cc2ccccc2N1C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000013646550 525528061 /nfs/dbraw/zinc/52/80/61/525528061.db2.gz IXIRGHCAMCRCMS-QGZVFWFLSA-N 0 0 451.504 3.768 40 5 JHBBRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000020043153 525695341 /nfs/dbraw/zinc/69/53/41/525695341.db2.gz DCAYLBBDPMKTJV-GOSISDBHSA-N 0 0 453.520 3.976 40 5 JHBBRN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)CC2)cc1 ZINC000022710423 526114988 /nfs/dbraw/zinc/11/49/88/526114988.db2.gz QEJMIMNVGNEFCF-UHFFFAOYSA-N 0 0 474.517 3.883 40 5 JHBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccc(Br)c1 ZINC000016386142 527458330 /nfs/dbraw/zinc/45/83/30/527458330.db2.gz PGJGFNREFRBHAQ-UHFFFAOYSA-N 0 0 483.775 3.848 40 5 JHBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccc(CN2CCOCC2)cc1 ZINC000016401467 527606798 /nfs/dbraw/zinc/60/67/98/527606798.db2.gz HLIVKBUGAIMYNV-XBXARRHUSA-N 0 0 460.943 3.607 40 5 JHBBRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc2c(C)c1 ZINC000008831118 554721185 /nfs/dbraw/zinc/72/11/85/554721185.db2.gz PLLLEKYAQMYVLJ-UHFFFAOYSA-N 0 0 471.564 3.785 40 5 JHBBRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000008831780 554723804 /nfs/dbraw/zinc/72/38/04/554723804.db2.gz RAQUQQMKGSRLOU-UHFFFAOYSA-N 0 0 470.398 3.853 40 5 JHBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC000008902104 554795880 /nfs/dbraw/zinc/79/58/80/554795880.db2.gz IFFWJIKHHKTZRP-UHFFFAOYSA-N 0 0 484.896 3.821 40 5 JHBBRN CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000009064798 554883793 /nfs/dbraw/zinc/88/37/93/554883793.db2.gz BRPMLWDLRKAEBJ-UHFFFAOYSA-N 0 0 456.524 3.889 40 5 JHBBRN O=[N+]([O-])c1ccc(N2CCN([C@H](c3nnnn3Cc3ccc(F)cc3)c3ccccc3F)CC2)cc1 ZINC000013504854 555464780 /nfs/dbraw/zinc/46/47/80/555464780.db2.gz USTBFEKSEIMVOK-DEOSSOPVSA-N 0 0 491.502 3.819 40 5 JHBBRN COc1ccccc1[C@H](c1nnnn1CCC(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013505359 555466290 /nfs/dbraw/zinc/46/62/90/555466290.db2.gz VUBWYUCGJCTMOB-HSZRJFAPSA-N 0 0 465.558 3.548 40 5 JHBBRN Cc1c(NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000019856465 555515659 /nfs/dbraw/zinc/51/56/59/555515659.db2.gz NOOFIJRMFJFRTD-UHFFFAOYSA-N 0 0 470.463 3.645 40 5 JHBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000019927818 555542943 /nfs/dbraw/zinc/54/29/43/555542943.db2.gz BTBWJHWUVXDWSX-UHFFFAOYSA-N 0 0 463.878 3.543 40 5 JHBBRN Cc1ccccc1OCC(=O)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010042467 555606757 /nfs/dbraw/zinc/60/67/57/555606757.db2.gz IEHLHGWLRPSBRW-VWLOTQADSA-N 0 0 462.458 3.566 40 5 JHBBRN O=C1[C@@H]2[C@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013786691 555619419 /nfs/dbraw/zinc/61/94/19/555619419.db2.gz ABYRMNMCPPHIFQ-HKBOAZHASA-N 0 0 460.402 3.554 40 5 JHBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1Br ZINC000014271008 555764667 /nfs/dbraw/zinc/76/46/67/555764667.db2.gz GVNGUPFIHOESJP-UHFFFAOYSA-N 0 0 454.302 3.891 40 5 JHBBRN O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014271313 555765816 /nfs/dbraw/zinc/76/58/16/555765816.db2.gz UWQMZLBTYYGISM-UHFFFAOYSA-N 0 0 469.567 3.549 40 5 JHBBRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nn12 ZINC000014271420 555765992 /nfs/dbraw/zinc/76/59/92/555765992.db2.gz IAKXBMYTECQWJY-UHFFFAOYSA-N 0 0 453.509 3.505 40 5 JHBBRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000014271949 555768196 /nfs/dbraw/zinc/76/81/96/555768196.db2.gz DXGYGLANFGQNIT-UHFFFAOYSA-N 0 0 459.890 3.719 40 5 JHBBRN COc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 ZINC000014357061 555796393 /nfs/dbraw/zinc/79/63/93/555796393.db2.gz DAWVUYABEJIJCT-UHFFFAOYSA-N 0 0 455.492 3.746 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccc([N+](=O)[O-])c1 ZINC000014409801 555809748 /nfs/dbraw/zinc/80/97/48/555809748.db2.gz BNKIUIRZZWZRKF-UHFFFAOYSA-N 0 0 458.456 3.521 40 5 JHBBRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253580 555902086 /nfs/dbraw/zinc/90/20/86/555902086.db2.gz KUGRADVDQIVAAE-UHFFFAOYSA-N 0 0 485.518 3.831 40 5 JHBBRN CCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000016693176 556153697 /nfs/dbraw/zinc/15/36/97/556153697.db2.gz ZTLPBGJUBLRBNW-UHFFFAOYSA-N 0 0 482.484 3.849 40 5 JHBBRN C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000033410677 569625993 /nfs/dbraw/zinc/62/59/93/569625993.db2.gz MBRYVARXVRRTKS-LLVKDONJSA-N 0 0 492.920 3.738 40 5 JHBBRN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nn12 ZINC000035132714 569675518 /nfs/dbraw/zinc/67/55/18/569675518.db2.gz LETMFSMUNCZTCI-UHFFFAOYSA-N 0 0 467.536 3.759 40 5 JHBBRN 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ZINC000106770217 569855734 /nfs/dbraw/zinc/85/57/34/569855734.db2.gz RCDKLGOSNIKVSI-UNOMPAQXSA-N 0 0 498.517 3.840 40 5 JHBBRN Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000107960596 569858108 /nfs/dbraw/zinc/85/81/08/569858108.db2.gz VTERLZMBUKJFRF-ZDUSSCGKSA-N 0 0 488.957 3.907 40 5 JHBBRN CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000169250180 569868150 /nfs/dbraw/zinc/86/81/50/569868150.db2.gz YOIWHHDGVZQDGW-UHFFFAOYSA-N 0 0 453.520 3.590 40 5 JHBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000205756242 569874232 /nfs/dbraw/zinc/87/42/32/569874232.db2.gz QXULZVKUIKINCU-YBFXNURJSA-N 0 0 472.475 3.782 40 5 JHBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000205780648 569874326 /nfs/dbraw/zinc/87/43/26/569874326.db2.gz BIXLLDXCQZNKAM-RQZCQDPDSA-N 0 0 473.463 3.779 40 5 JHBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)N1CCCC1 ZINC000205873828 569874494 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/nfs/dbraw/zinc/39/92/01/527399201.db2.gz SBTVFLVTXYADCA-UHFFFAOYSA-N 0 0 482.518 3.612 40 5 JHBBRN CCOc1ccc(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)c([N+](=O)[O-])c1 ZINC000006196206 554518549 /nfs/dbraw/zinc/51/85/49/554518549.db2.gz SENDPSPTSCVOSO-UHFFFAOYSA-N 0 0 481.538 3.514 40 5 JHBBRN COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2c1 ZINC000006282556 554525650 /nfs/dbraw/zinc/52/56/50/554525650.db2.gz LGUAWBBNQDHFFV-UHFFFAOYSA-N 0 0 485.543 3.898 40 5 JHBBRN COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 ZINC000006904328 554560663 /nfs/dbraw/zinc/56/06/63/554560663.db2.gz ZUGFNCHNDWWBGB-YKUCYRFJSA-N 0 0 470.481 3.765 40 5 JHBBRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000008831475 554722577 /nfs/dbraw/zinc/72/25/77/554722577.db2.gz KJAUOMOPCXZJLQ-UHFFFAOYSA-N 0 0 455.540 3.916 40 5 JHBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nn12 ZINC000008831541 554722762 /nfs/dbraw/zinc/72/27/62/554722762.db2.gz QDVQDCDKZJNSMP-UHFFFAOYSA-N 0 0 453.509 3.505 40 5 JHBBRN CCOC(=O)N1CCN(C(=O)c2cc3c4ccccc4n4c3c(n2)c2ccccc2c4=O)CC1 ZINC000008877784 554773372 /nfs/dbraw/zinc/77/33/72/554773372.db2.gz DFHBGRXWIPLDFC-UHFFFAOYSA-N 0 0 454.486 3.506 40 5 biogenic JHBBRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000008896801 554786795 /nfs/dbraw/zinc/78/67/95/554786795.db2.gz IWROAPLPEUUIBO-UHFFFAOYSA-N 0 0 489.557 3.684 40 5 JHBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1[N+](=O)[O-] ZINC000009064938 554884691 /nfs/dbraw/zinc/88/46/91/554884691.db2.gz LXOOZDDNCHNHJC-UHFFFAOYSA-N 0 0 469.273 3.791 40 5 JHBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=Cc4ccccc4N2[C@@H]3C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000009111478 554898822 /nfs/dbraw/zinc/89/88/22/554898822.db2.gz WTXABRIVQCVUTO-VPBXCIAMSA-N 0 0 494.507 3.932 40 5 JHBBRN O=[N+]([O-])c1ccc(N2CCN([C@H](c3nnnn3CCc3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000013505462 555466685 /nfs/dbraw/zinc/46/66/85/555466685.db2.gz ZVDOZHKPTSFOHB-VWLOTQADSA-N 0 0 487.539 3.875 40 5 JHBBRN Cc1c(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000019856721 555517193 /nfs/dbraw/zinc/51/71/93/555517193.db2.gz GLWSQCSOSHREBB-UHFFFAOYSA-N 0 0 465.837 3.980 40 5 JHBBRN Cc1c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000020008182 555582669 /nfs/dbraw/zinc/58/26/69/555582669.db2.gz XMCMIYIZNGRSAZ-HXUWFJFHSA-N 0 0 457.483 3.571 40 5 JHBBRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000020009096 555584254 /nfs/dbraw/zinc/58/42/54/555584254.db2.gz SRPMXITUKZTIOH-JOCHJYFZSA-N 0 0 483.546 3.749 40 5 JHBBRN Cc1ccccc1OCC(=O)NCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010000535 555589816 /nfs/dbraw/zinc/58/98/16/555589816.db2.gz ZGVCSCFFLLDONX-UHFFFAOYSA-N 0 0 450.447 3.934 40 5 JHBBRN O=C(CNC(=O)c1ccc(Cl)cc1)NCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000010041735 555606190 /nfs/dbraw/zinc/60/61/90/555606190.db2.gz PCUYFOWQTYYLRG-UHFFFAOYSA-N 0 0 497.891 3.630 40 5 JHBBRN COc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 ZINC000013845090 555633650 /nfs/dbraw/zinc/63/36/50/555633650.db2.gz SPOUDCUTASJQDN-UHFFFAOYSA-N 0 0 463.903 3.695 40 5 JHBBRN O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014269609 555759828 /nfs/dbraw/zinc/75/98/28/555759828.db2.gz JRFXCFNAURUZLP-UHFFFAOYSA-N 0 0 455.323 3.865 40 5 JHBBRN COc1ccc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)cc1[N+](=O)[O-] ZINC000014271016 555764693 /nfs/dbraw/zinc/76/46/93/555764693.db2.gz XVVRVWBHUWKBBG-UHFFFAOYSA-N 0 0 454.302 3.810 40 5 JHBBRN COc1c(C)cc(Br)cc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014273714 555774292 /nfs/dbraw/zinc/77/42/92/555774292.db2.gz UBRGPXBLBSNHJO-UHFFFAOYSA-N 0 0 493.383 3.511 40 5 JHBBRN COc1ccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)cc1[N+](=O)[O-] ZINC000014275909 555782290 /nfs/dbraw/zinc/78/22/90/555782290.db2.gz VXPHMNMOUIFXHY-UHFFFAOYSA-N 0 0 491.694 3.988 40 5 JHBBRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014276018 555782532 /nfs/dbraw/zinc/78/25/32/555782532.db2.gz NPGMYDKXAFHJMM-UHFFFAOYSA-N 0 0 499.774 3.974 40 5 JHBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cc(Br)ccc1Cl ZINC000020410921 555788133 /nfs/dbraw/zinc/78/81/33/555788133.db2.gz XPBYJLRQEYLHPH-UHFFFAOYSA-N 0 0 499.774 3.974 40 5 JHBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC000020528608 555792968 /nfs/dbraw/zinc/79/29/68/555792968.db2.gz YBQFABDGTPOLJG-UHFFFAOYSA-N 0 0 474.945 3.960 40 5 JHBBRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000022271671 555909898 /nfs/dbraw/zinc/90/98/98/555909898.db2.gz XPIVISWLVYNGRW-JOCHJYFZSA-N 0 0 469.519 3.522 40 5 JHBBRN O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000015674259 555933238 /nfs/dbraw/zinc/93/32/38/555933238.db2.gz ZZMKSELNBXDQBX-WBVHZDCISA-N 0 0 450.373 3.851 40 5 biogenic,in-vitro JHBBRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022714135 555946849 /nfs/dbraw/zinc/94/68/49/555946849.db2.gz FKKIGTVMBRRPNW-UHFFFAOYSA-N 0 0 477.955 3.821 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1c3ccccc3C=CN1[C@@H]2C(=O)C(C)(C)C ZINC000016033441 556117289 /nfs/dbraw/zinc/11/72/89/556117289.db2.gz REYINSAEJLLHPS-KJJMTIBFSA-N 0 0 475.501 3.734 40 5 JHBBRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](Sc4[nH]c(=O)sc4[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000018060015 556281496 /nfs/dbraw/zinc/28/14/96/556281496.db2.gz XNXJKHGEFJCZGR-BQFCYCMXSA-N 0 0 483.527 3.539 40 5 JHBBRN O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000032115402 556422686 /nfs/dbraw/zinc/42/26/86/556422686.db2.gz GYTQGEFZIUGTRQ-UHFFFAOYSA-N 0 0 452.492 3.818 40 5 JHBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O ZINC000032124664 556427362 /nfs/dbraw/zinc/42/73/62/556427362.db2.gz OECIIOKWPYZHDM-WQRHYEAKSA-N 0 0 487.559 3.971 40 5 JHBBRN COc1ccc(C(=O)NC(=S)Nc2cc(C)c(I)c(C)c2)cc1[N+](=O)[O-] ZINC000057315578 569597126 /nfs/dbraw/zinc/59/71/26/569597126.db2.gz IRZDJKWGYOCCJX-UHFFFAOYSA-N 0 0 485.303 3.952 40 5 JHBBRN C[C@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000033410680 569626008 /nfs/dbraw/zinc/62/60/08/569626008.db2.gz MBRYVARXVRRTKS-NSHDSACASA-N 0 0 492.920 3.738 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000033668948 569630447 /nfs/dbraw/zinc/63/04/47/569630447.db2.gz PPWBRWAYUPPQTP-OAHLLOKOSA-N 0 0 498.565 3.745 40 5 JHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@@H]12 ZINC000035053014 569674025 /nfs/dbraw/zinc/67/40/25/569674025.db2.gz QUNSVPWAELURHX-RRFJBIMHSA-N 0 0 455.473 3.537 40 5 JHBBRN O=C(c1cccnc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000036311789 569759713 /nfs/dbraw/zinc/75/97/13/569759713.db2.gz BYOKQPLVILKYTH-WTEVXDJOSA-N 0 0 472.526 3.809 40 5 JHBBRN O=C1[C@@H]2[C@H](c3ccccc3[N+](=O)[O-])N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101193708 569786762 /nfs/dbraw/zinc/78/67/62/569786762.db2.gz QQHOFMDTDRGQOR-FSSWDIPSSA-N 0 0 474.429 3.550 40 5 JHBBRN CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1c3ccccc3C(C)=C[C@@H]21 ZINC000101475890 569798994 /nfs/dbraw/zinc/79/89/94/569798994.db2.gz CSZJPPHABIOBLY-NKOJSYJKSA-N 0 0 459.502 3.852 40 5 JHBBRN CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C(C)=C[C@@H]21 ZINC000101484398 569799450 /nfs/dbraw/zinc/79/94/50/569799450.db2.gz QLOIBOOOXUQHLZ-NKOJSYJKSA-N 0 0 459.502 3.852 40 5 JHBBRN O=C(c1cccnc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000102773875 569823556 /nfs/dbraw/zinc/82/35/56/569823556.db2.gz WDKSHQXVVHSSAZ-WTEVXDJOSA-N 0 0 490.516 3.948 40 5 JHBBRN O=C(c1ccccn1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000102772927 569823596 /nfs/dbraw/zinc/82/35/96/569823596.db2.gz VRLKJAQZVVFGMN-WTEVXDJOSA-N 0 0 490.516 3.948 40 5 JHBBRN CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn([C@H]4CCCC[C@H]4C)c(=O)c3cc2c1=O ZINC000040399098 569826118 /nfs/dbraw/zinc/82/61/18/569826118.db2.gz QLZRBOBXSHNIEJ-VLIAUNLRSA-N 0 0 461.522 3.660 40 5 JHBBRN CCCCN1C(=O)[C@@H]2[C@H]3C=C(C)c4ccccc4N3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1=O ZINC000103462265 569835236 /nfs/dbraw/zinc/83/52/36/569835236.db2.gz ZVLKSWDBHGRLPT-BXXSPATCSA-N 0 0 459.502 3.853 40 5 JHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000107591895 569856651 /nfs/dbraw/zinc/85/66/51/569856651.db2.gz GJXUJMOHACLNCI-ODLFYWEKSA-N 0 0 491.456 3.955 40 5 JHBBRN COc1c(Cl)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1Cl ZINC000107732103 569857152 /nfs/dbraw/zinc/85/71/52/569857152.db2.gz PMTYWYKGGQYBCU-UHFFFAOYSA-N 0 0 495.363 3.709 40 5 JHBBRN Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1C ZINC000108127703 569858803 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CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222547475 569885543 /nfs/dbraw/zinc/88/55/43/569885543.db2.gz KYMGHHWZQRHPCW-LJQANCHMSA-N 0 0 477.945 3.968 40 5 JHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222584856 569886358 /nfs/dbraw/zinc/88/63/58/569886358.db2.gz XATKXLFIHRTJMV-QHCPKHFHSA-N 0 0 495.507 3.507 40 5 JHBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)o2)cc1 ZINC000223209022 569903516 /nfs/dbraw/zinc/90/35/16/569903516.db2.gz WRUKBWJZOCSZPR-RPWUZVMVSA-N 0 0 493.589 3.945 40 5 JHBBRN CCc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000223526315 569914568 /nfs/dbraw/zinc/91/45/68/569914568.db2.gz VMIOCWMSEOFWHF-UHFFFAOYSA-N 0 0 483.546 3.548 40 5 JHBBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000223671355 569919586 /nfs/dbraw/zinc/91/95/86/569919586.db2.gz SFHKVYVQXZJOQO-VXKWHMMOSA-N 0 0 482.518 3.794 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccccc1C(C)(C)C)S(C)(=O)=O ZINC000223728416 569921368 /nfs/dbraw/zinc/92/13/68/569921368.db2.gz BNGKZJZYJKCUOX-UHFFFAOYSA-N 0 0 491.610 3.942 40 5 JHBBRN CC[C@@H](C(=O)Nc1nnc(-c2ccc(C)cc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223872915 569925848 /nfs/dbraw/zinc/92/58/48/569925848.db2.gz TUNCJQFKKQRILA-KRWDZBQOSA-N 0 0 475.552 3.605 40 5 JHBBRN CC[C@@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000223974073 569929095 /nfs/dbraw/zinc/92/90/95/569929095.db2.gz HRNLWDPLOJRRQC-HXUWFJFHSA-N 0 0 463.556 3.726 40 5 JHBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224346235 569941392 /nfs/dbraw/zinc/94/13/92/569941392.db2.gz SPACEAUMGSXUSO-GOSISDBHSA-N 0 0 463.918 3.579 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(N2CCCC2)cc1)S(C)(=O)=O ZINC000224933576 569963952 /nfs/dbraw/zinc/96/39/52/569963952.db2.gz IGERCLYLBJDARJ-UHFFFAOYSA-N 0 0 460.556 3.688 40 5 JHBBRN CC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224973976 569966501 /nfs/dbraw/zinc/96/65/01/569966501.db2.gz JYWBFXLTFQLOGC-OAQYLSRUSA-N 0 0 460.556 3.768 40 5 JHBBRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225159020 569979027 /nfs/dbraw/zinc/97/90/27/569979027.db2.gz OXSYQHFMSFZODX-FQEVSTJZSA-N 0 0 457.527 3.624 40 5 JHBBRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000408625258 569980046 /nfs/dbraw/zinc/98/00/46/569980046.db2.gz WEZOYURZRWEGKJ-UHFFFAOYSA-N 0 0 461.540 3.874 40 5 JHBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225202240 569982166 /nfs/dbraw/zinc/98/21/66/569982166.db2.gz AGHHYTUREXGNBC-HOTGVXAUSA-N 0 0 477.945 3.968 40 5 JHBBRN CCc1ccccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O ZINC000408641216 569989238 /nfs/dbraw/zinc/98/92/38/569989238.db2.gz LFAXFVGEXOEVKA-KRWDZBQOSA-N 0 0 499.479 3.916 40 5 JHBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1[N+](=O)[O-] ZINC000408643137 569990045 /nfs/dbraw/zinc/99/00/45/569990045.db2.gz FPCRAMOZYVLXNN-GFCCVEGCSA-N 0 0 451.262 3.989 40 5 JHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000408644812 569991025 /nfs/dbraw/zinc/99/10/25/569991025.db2.gz HNHMIJNQYYZFQQ-UHFFFAOYSA-N 0 0 494.298 3.575 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cc(C)c(Br)cc2C)CC1=O ZINC000408645318 569991387 /nfs/dbraw/zinc/99/13/87/569991387.db2.gz UPZYUHLLEHUBAI-ZDUSSCGKSA-N 0 0 462.300 3.974 40 5 JHBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)cc1 ZINC000408648216 569992690 /nfs/dbraw/zinc/99/26/90/569992690.db2.gz JTOYBGLNOMWWSL-OALUTQOASA-N 0 0 469.881 3.664 40 5 JHBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)cc1 ZINC000408648214 569992702 /nfs/dbraw/zinc/99/27/02/569992702.db2.gz JTOYBGLNOMWWSL-KDURUIRLSA-N 0 0 469.881 3.664 40 5 JHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 ZINC000408648777 569992971 /nfs/dbraw/zinc/99/29/71/569992971.db2.gz KFTDCVTZCXQKRN-RFVSGWPVSA-N 0 0 481.892 3.686 40 5 JHBBRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1[N+](=O)[O-] ZINC000408655080 569996582 /nfs/dbraw/zinc/99/65/82/569996582.db2.gz CRJXOSJIZLZVCM-JSNMRZPZSA-N 0 0 479.489 3.624 40 5 JHBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000408655881 569997216 /nfs/dbraw/zinc/99/72/16/569997216.db2.gz SANKLLLAPVECGW-MMACOIQUSA-N 0 0 481.892 3.686 40 5 JHBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225486256 569999216 /nfs/dbraw/zinc/99/92/16/569999216.db2.gz GQVSKZVTNNOHKR-PXNSSMCTSA-N 0 0 457.527 3.704 40 5 JHBBRN O=C(CCCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC000408660970 570000623 /nfs/dbraw/zinc/00/06/23/570000623.db2.gz AFKYAKNXXPXANW-UHFFFAOYSA-N 0 0 453.373 3.904 40 5 JHBBRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC[C@@H](C)C[C@@H]2C1=O ZINC000408661457 570000959 /nfs/dbraw/zinc/00/09/59/570000959.db2.gz XCMQBRZIJPRDAZ-RFZJPIJTSA-N 0 0 463.490 3.645 40 5 JHBBRN CCc1cc(Br)ccc1NC(=O)COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000408661660 570001148 /nfs/dbraw/zinc/00/11/48/570001148.db2.gz GLKXXEYAHHKTBZ-UHFFFAOYSA-N 0 0 478.299 3.820 40 5 JHBBRN CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408665956 570004314 /nfs/dbraw/zinc/00/43/14/570004314.db2.gz MVZLNGPIHDHGOU-UHFFFAOYSA-N 0 0 485.493 3.842 40 5 JHBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408667696 570005441 /nfs/dbraw/zinc/00/54/41/570005441.db2.gz JNLIHBBXYMLEIO-NSHDSACASA-N 0 0 485.802 3.802 40 5 JHBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408668954 570006239 /nfs/dbraw/zinc/00/62/39/570006239.db2.gz RMNMGUVIPUTFME-CZAAIQMYSA-N 0 0 491.500 3.541 40 5 JHBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408668956 570006246 /nfs/dbraw/zinc/00/62/46/570006246.db2.gz RMNMGUVIPUTFME-HBGVWJBISA-N 0 0 491.500 3.541 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225571282 570006567 /nfs/dbraw/zinc/00/65/67/570006567.db2.gz CZDHPCHXNICGEA-HNNXBMFYSA-N 0 0 463.918 3.578 40 5 JHBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1[N+](=O)[O-] ZINC000408671102 570007490 /nfs/dbraw/zinc/00/74/90/570007490.db2.gz SRNRMYPNPMUSKH-LBPRGKRZSA-N 0 0 466.277 3.745 40 5 JHBBRN Cc1c(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1Br ZINC000408671651 570007849 /nfs/dbraw/zinc/00/78/49/570007849.db2.gz SXVMSBCIIMHWED-AWEZNQCLSA-N 0 0 490.310 3.509 40 5 JHBBRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5ccccc5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408674421 570009109 /nfs/dbraw/zinc/00/91/09/570009109.db2.gz ZKICROFFYVDMCD-INIZCTEOSA-N 0 0 485.452 3.662 40 5 JHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000408678787 570011505 /nfs/dbraw/zinc/01/15/05/570011505.db2.gz DAWVORHONRVEDX-HDICACEKSA-N 0 0 484.852 3.665 40 5 JHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 ZINC000408684212 570013507 /nfs/dbraw/zinc/01/35/07/570013507.db2.gz NAFSGHXDOUXNHO-IBZMOEQTSA-N 0 0 481.892 3.686 40 5 JHBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)NCCc1ccccc1 ZINC000408713736 570025567 /nfs/dbraw/zinc/02/55/67/570025567.db2.gz QZFZVRYQQUITJM-UHFFFAOYSA-N 0 0 469.519 3.685 40 5 JHBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSC1CCCCC1 ZINC000409026523 570104586 /nfs/dbraw/zinc/10/45/86/570104586.db2.gz RJCDGNZPBPIJIR-UHFFFAOYSA-N 0 0 477.608 3.972 40 5 JHBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O ZINC000409094295 570125987 /nfs/dbraw/zinc/12/59/87/570125987.db2.gz DMBLDWYUBSYKRG-BUESGFEBSA-N 0 0 472.475 3.780 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000409126788 570138305 /nfs/dbraw/zinc/13/83/05/570138305.db2.gz GBSOIRSNIJSBHA-HNNXBMFYSA-N 0 0 468.539 3.736 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000409132195 570140647 /nfs/dbraw/zinc/14/06/47/570140647.db2.gz NLHDFQZGEPXVJN-OAHLLOKOSA-N 0 0 468.539 3.736 40 5 JHBBRN Cc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1 ZINC000409140474 570144306 /nfs/dbraw/zinc/14/43/06/570144306.db2.gz DWJAXQMXRHERGB-HXUWFJFHSA-N 0 0 482.566 3.890 40 5 JHBBRN COc1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 ZINC000409153192 570149780 /nfs/dbraw/zinc/14/97/80/570149780.db2.gz LPQSGKKEMWCCQV-IBGZPJMESA-N 0 0 484.538 3.579 40 5 JHBBRN COc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409177030 570157298 /nfs/dbraw/zinc/15/72/98/570157298.db2.gz BDSGCFZSYDIEOD-UHFFFAOYSA-N 0 0 457.420 3.597 40 5 JHBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c([O-])c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409180792 570159129 /nfs/dbraw/zinc/15/91/29/570159129.db2.gz RPZHMQPNPFXRRG-LICLKQGHSA-N 0 0 457.464 3.546 40 5 JHBBRN COc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000409181111 570159226 /nfs/dbraw/zinc/15/92/26/570159226.db2.gz WQVONCQFZYBLFQ-UHFFFAOYSA-N 0 0 457.420 3.597 40 5 JHBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O ZINC000409230425 570177512 /nfs/dbraw/zinc/17/75/12/570177512.db2.gz DASHKYQNSOYSPK-XDHOZWIPSA-N 0 0 476.445 3.703 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000409246781 570184520 /nfs/dbraw/zinc/18/45/20/570184520.db2.gz DJSCVYHGDDMSTK-UHFFFAOYSA-N 0 0 482.356 3.705 40 5 JHBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccccc1F ZINC000408565020 570202881 /nfs/dbraw/zinc/20/28/81/570202881.db2.gz HDIWZAAAUUPMLG-ZNCVFPSASA-N 0 0 477.492 3.935 40 5 JHBBRN COc1ccc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Br ZINC000408564935 570202942 /nfs/dbraw/zinc/20/29/42/570202942.db2.gz GOILNJUYHLMTIB-GZMOKQHVSA-N 0 0 458.312 3.512 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000408583395 570207257 /nfs/dbraw/zinc/20/72/57/570207257.db2.gz UGWLJFGVPRQWRV-UHFFFAOYSA-N 0 0 450.860 3.950 40 5 JHBBRN CCCn1c2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2c2ccccc2c1=O ZINC000003375300 194307327 /nfs/dbraw/zinc/30/73/27/194307327.db2.gz YQLSYGDFCIQIKM-UHFFFAOYSA-N 0 0 453.480 3.521 40 5 JHBBRN CCOc1cc(OCC)cc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000016688193 520773192 /nfs/dbraw/zinc/77/31/92/520773192.db2.gz RTIJCOKCKXVQEU-UHFFFAOYSA-N 0 0 492.985 3.883 40 5 JHBBRN CCOc1ccc(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)c([N+](=O)[O-])c1 ZINC000020176150 520986363 /nfs/dbraw/zinc/98/63/63/520986363.db2.gz HFIJEYNECLNAFF-UHFFFAOYSA-N 0 0 497.364 3.681 40 5 JHBBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000022512964 524303679 /nfs/dbraw/zinc/30/36/79/524303679.db2.gz DDZUDDHDHXAFLN-UHFFFAOYSA-N 0 0 475.548 3.954 40 5 JHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1 ZINC000012494796 525570847 /nfs/dbraw/zinc/57/08/47/525570847.db2.gz KKOHCFYUWGVJQM-QAPCUYQASA-N 0 0 468.539 3.855 40 5 JHBBRN Cc1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000026805433 525823368 /nfs/dbraw/zinc/82/33/68/525823368.db2.gz QLBOYJHWOXFDQQ-QJOMJCCJSA-N 0 0 497.511 3.802 40 5 JHBBRN O=C(/C=C1\SC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016754405 527652249 /nfs/dbraw/zinc/65/22/49/527652249.db2.gz BBWCELBOUVNXFL-DHDCSXOGSA-N 0 0 494.407 3.770 40 5 JHBBRN Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000000913960 553843236 /nfs/dbraw/zinc/84/32/36/553843236.db2.gz HDXGKBYBEDINRQ-UHFFFAOYSA-N 0 0 464.503 3.531 40 5 JHBBRN CCOC(=O)[C@H](Cc1ccc(OC)c([N+](=O)[O-])c1)NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000006547780 554550299 /nfs/dbraw/zinc/55/02/99/554550299.db2.gz WEDOEAVBVSQXAI-QFIPXVFZSA-N 0 0 496.541 3.627 40 5 JHBBRN CCOC(=O)[C@@H](Cc1cc([N+](=O)[O-])ccc1OC)NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000006547579 554550351 /nfs/dbraw/zinc/55/03/51/554550351.db2.gz VGPQEQCIARSVOL-HSZRJFAPSA-N 0 0 496.541 3.627 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)c1ccco1 ZINC000006906646 554561814 /nfs/dbraw/zinc/56/18/14/554561814.db2.gz INCUVSDJMNGDGM-UHFFFAOYSA-N 0 0 479.474 3.874 40 5 JHBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)NC(C)C)ccc5n(c43)c(=O)c2c1OC ZINC000008792337 554685821 /nfs/dbraw/zinc/68/58/21/554685821.db2.gz GYAFUFZMHGOBRF-CQSZACIVSA-N 0 0 459.502 3.901 40 5 biogenic JHBBRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c(C)c3)nn12 ZINC000008831528 554722716 /nfs/dbraw/zinc/72/27/16/554722716.db2.gz UUJFKAAKUWLZHN-UHFFFAOYSA-N 0 0 467.536 3.813 40 5 JHBBRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000008898573 554789107 /nfs/dbraw/zinc/78/91/07/554789107.db2.gz OGUSJJFATTWWAJ-UHFFFAOYSA-N 0 0 488.972 3.591 40 5 JHBBRN COc1ccc([C@@H]2C(=C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 ZINC000008974810 554846276 /nfs/dbraw/zinc/84/62/76/554846276.db2.gz OGWHSRIFGMCRDG-QORCZRPOSA-N 0 0 467.485 3.793 40 5 JHBBRN CCOc1ccc(-n2c3nnc(Cn4nc(C)c([N+](=O)[O-])c4C)n3c3cc(Cl)ccc3c2=O)cc1 ZINC000009439667 555209640 /nfs/dbraw/zinc/20/96/40/555209640.db2.gz DTSGNDDHMWOHRM-UHFFFAOYSA-N 0 0 493.911 3.855 40 5 JHBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000013424467 555398589 /nfs/dbraw/zinc/39/85/89/555398589.db2.gz ZLCFNWKDDNSRGH-SFHVURJKSA-N 0 0 484.494 3.671 40 5 JHBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCCc1ccccc1 ZINC000013667516 555556853 /nfs/dbraw/zinc/55/68/53/555556853.db2.gz GNGNUDGQOOQGPB-UHFFFAOYSA-N 0 0 453.520 3.539 40 5 JHBBRN Cc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 ZINC000020153157 555671815 /nfs/dbraw/zinc/67/18/15/555671815.db2.gz XNLBOODBMSPKEG-UHFFFAOYSA-N 0 0 496.545 3.619 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cc(Br)cc(C)c1OC ZINC000014269683 555760136 /nfs/dbraw/zinc/76/01/36/555760136.db2.gz XGXUYBFUFCFADQ-UHFFFAOYSA-N 0 0 454.302 3.810 40 5 JHBBRN Cc1c(C(=O)NC(=S)Nc2ccc(I)cc2F)cccc1[N+](=O)[O-] ZINC000014271045 555764646 /nfs/dbraw/zinc/76/46/46/555764646.db2.gz UCNUBFGJFUEMGK-UHFFFAOYSA-N 0 0 459.240 3.774 40 5 JHBBRN Cc1cc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c(C)cc1I ZINC000014271102 555764898 /nfs/dbraw/zinc/76/48/98/555764898.db2.gz OPXGTFNJCKCZJN-UHFFFAOYSA-N 0 0 455.277 3.943 40 5 JHBBRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])c(C)c3)nn12 ZINC000014271407 555765946 /nfs/dbraw/zinc/76/59/46/555765946.db2.gz OHUYIGIMMASWRE-UHFFFAOYSA-N 0 0 453.509 3.505 40 5 JHBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000020410914 555788143 /nfs/dbraw/zinc/78/81/43/555788143.db2.gz IOOJQIAQWYPWBF-UHFFFAOYSA-N 0 0 455.323 3.865 40 5 JHBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000014376446 555801028 /nfs/dbraw/zinc/80/10/28/555801028.db2.gz SZEMHJXAIFROPP-UHFFFAOYSA-N 0 0 455.452 3.715 40 5 JHBBRN O=C(c1ccccn1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000020566925 555820629 /nfs/dbraw/zinc/82/06/29/555820629.db2.gz SVAIFRRTLZBRDN-IYXIZZNPSA-N 0 0 490.516 3.948 40 5 JHBBRN O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022537283 555933824 /nfs/dbraw/zinc/93/38/24/555933824.db2.gz QBDFADKUEOFTGU-UHFFFAOYSA-N 0 0 455.323 3.865 40 5 JHBBRN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000022567900 555936794 /nfs/dbraw/zinc/93/67/94/555936794.db2.gz HBLFLTCYKCNROE-UHFFFAOYSA-N 0 0 460.490 3.865 40 5 JHBBRN CCOc1ccc2nc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 ZINC000022745431 555950811 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/nfs/dbraw/zinc/88/69/81/569886981.db2.gz PUGKRANOMBHWOJ-GHTZIAJQSA-N 0 0 471.554 3.747 40 5 JHBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222614612 569886995 /nfs/dbraw/zinc/88/69/95/569886995.db2.gz PUGKRANOMBHWOJ-NQIIRXRSSA-N 0 0 471.554 3.747 40 5 JHBBRN CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222636126 569887472 /nfs/dbraw/zinc/88/74/72/569887472.db2.gz FAGKVQFTMPUJCT-GOSISDBHSA-N 0 0 473.507 3.530 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000222817595 569891835 /nfs/dbraw/zinc/89/18/35/569891835.db2.gz WTSOQGSHUCVCLG-OAHLLOKOSA-N 0 0 477.945 3.968 40 5 JHBBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000223031382 569897337 /nfs/dbraw/zinc/89/73/37/569897337.db2.gz GSYBYHHAKGNJRX-LEWJYISDSA-N 0 0 454.508 3.877 40 5 JHBBRN CC[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223655642 569919160 /nfs/dbraw/zinc/91/91/60/569919160.db2.gz KOTYFXSSFKZFMB-OAQYLSRUSA-N 0 0 491.610 3.941 40 5 JHBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223891248 569926428 /nfs/dbraw/zinc/92/64/28/569926428.db2.gz XYBZZWCAPMXKFW-HNNXBMFYSA-N 0 0 462.344 3.843 40 5 JHBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224149034 569934518 /nfs/dbraw/zinc/93/45/18/569934518.db2.gz YGQLUTFAMYLTPE-NRFANRHFSA-N 0 0 469.538 3.848 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000224237873 569937587 /nfs/dbraw/zinc/93/75/87/569937587.db2.gz PGLBQKLIXSHMCT-MRXNPFEDSA-N 0 0 477.945 3.825 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000224639461 569951861 /nfs/dbraw/zinc/95/18/61/569951861.db2.gz SIYRDJALISVKRI-HNNXBMFYSA-N 0 0 463.918 3.578 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCC2=CCCCC2)cc1)S(C)(=O)=O ZINC000224832736 569959599 /nfs/dbraw/zinc/95/95/99/569959599.db2.gz HUNNAXKVHBZRJX-UHFFFAOYSA-N 0 0 473.551 3.800 40 5 JHBBRN Cc1ccccc1OCCNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000224856064 569960400 /nfs/dbraw/zinc/96/04/00/569960400.db2.gz RITUSZIMLIFKNN-UHFFFAOYSA-N 0 0 497.573 3.987 40 5 JHBBRN Cc1c(N(CCCC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224862137 569960656 /nfs/dbraw/zinc/96/06/56/569960656.db2.gz UHYIQEADKWCZTE-UHFFFAOYSA-N 0 0 491.610 3.942 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O ZINC000224891769 569962081 /nfs/dbraw/zinc/96/20/81/569962081.db2.gz YTHLKIJUWWXZDK-UHFFFAOYSA-N 0 0 475.445 3.987 40 5 JHBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225125635 569976576 /nfs/dbraw/zinc/97/65/76/569976576.db2.gz UTPRQGDOBNEZHQ-ZWKOTPCHSA-N 0 0 457.527 3.623 40 5 JHBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225189552 569981323 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569991083 /nfs/dbraw/zinc/99/10/83/569991083.db2.gz JCXVYPXQKMIELB-UHFFFAOYSA-N 0 0 479.873 3.556 40 5 JHBBRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=C[C@@H](C)[C@@H]2C1=O ZINC000408653925 569995840 /nfs/dbraw/zinc/99/58/40/569995840.db2.gz QDDTUOPIRIARMB-DHWLSRIRSA-N 0 0 475.501 3.811 40 5 JHBBRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1[N+](=O)[O-] ZINC000408656040 569997418 /nfs/dbraw/zinc/99/74/18/569997418.db2.gz FFCPJQNVPNRXKA-UHFFFAOYSA-N 0 0 485.493 3.617 40 5 JHBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1C ZINC000408659587 569999743 /nfs/dbraw/zinc/99/97/43/569999743.db2.gz VZIQVCBOAARZFC-UHFFFAOYSA-N 0 0 457.442 3.748 40 5 JHBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 ZINC000408663232 570002338 /nfs/dbraw/zinc/00/23/38/570002338.db2.gz YHQSBJMLBJRHOX-UHFFFAOYSA-N 0 0 463.833 3.785 40 5 JHBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(Br)cc1Cl ZINC000408665319 570003827 /nfs/dbraw/zinc/00/38/27/570003827.db2.gz DQLPFJWAOIZGLW-LLVKDONJSA-N 0 0 496.701 3.546 40 5 JHBBRN O=C(COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1)N1CCCCC1 ZINC000225563307 570005823 /nfs/dbraw/zinc/00/58/23/570005823.db2.gz DJWGUXVTWMYZEK-UHFFFAOYSA-N 0 0 467.522 3.673 40 5 JHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5ccccc5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408674422 570009111 /nfs/dbraw/zinc/00/91/11/570009111.db2.gz ZKICROFFYVDMCD-MRXNPFEDSA-N 0 0 485.452 3.662 40 5 JHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000408684114 570013335 /nfs/dbraw/zinc/01/33/35/570013335.db2.gz MVRHLCASWWXBIF-ROUUACIJSA-N 0 0 484.852 3.665 40 5 JHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408688904 570014655 /nfs/dbraw/zinc/01/46/55/570014655.db2.gz XCQOJYQXSPKCMS-QZTJIDSGSA-N 0 0 486.868 3.889 40 5 JHBBRN 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OBZCZTYXMDOVAY-UHFFFAOYSA-N 0 0 483.546 3.602 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000224273511 569938819 /nfs/dbraw/zinc/93/88/19/569938819.db2.gz BKTAXNTUYVRJBG-MRXNPFEDSA-N 0 0 477.945 3.825 40 5 JHBBRN Cc1ccc(-c2nnc(NC(=O)CCCN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)s2)cc1 ZINC000224523121 569947118 /nfs/dbraw/zinc/94/71/18/569947118.db2.gz OGWBDWRZUALPIX-UHFFFAOYSA-N 0 0 475.552 3.607 40 5 JHBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224905567 569962745 /nfs/dbraw/zinc/96/27/45/569962745.db2.gz IIRYTGGHBDVDRR-NRFANRHFSA-N 0 0 487.553 3.570 40 5 JHBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224979094 569966995 /nfs/dbraw/zinc/96/69/95/569966995.db2.gz FYZAQAJAFVMPMM-QGZVFWFLSA-N 0 0 459.568 3.780 40 5 JHBBRN Cc1cc(NC(=O)COc2ccc(C=Cc3nc(O)c([N+](=O)[O-])c(O)n3)cc2)ccc1Cl ZINC000408605935 569971001 /nfs/dbraw/zinc/97/10/01/569971001.db2.gz NOYPKVJVKAFTOI-RUDMXATFSA-N 0 0 456.842 3.946 40 5 JHBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225128900 569976906 /nfs/dbraw/zinc/97/69/06/569976906.db2.gz LLLKIPFUGBGAFI-FQEVSTJZSA-N 0 0 457.527 3.624 40 5 JHBBRN CCC1(CC)C[C@@H](NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c2ccccc2O1 ZINC000225131875 569976989 /nfs/dbraw/zinc/97/69/89/569976989.db2.gz SQBCKYCLIUIJOP-GOSISDBHSA-N 0 0 491.566 3.568 40 5 JHBBRN CC[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225172573 569980000 /nfs/dbraw/zinc/98/00/00/569980000.db2.gz IPNXYNFUKBDWCA-KRWDZBQOSA-N 0 0 492.579 3.735 40 5 JHBBRN Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC(C)=CC[C@@H]3C2=O)cc1 ZINC000408640924 569989064 /nfs/dbraw/zinc/98/90/64/569989064.db2.gz BQAQLMNPYXOLLV-VOQZNFBZSA-N 0 0 475.501 3.873 40 5 JHBBRN Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC(C)=CC[C@@H]3C2=O)cc1 ZINC000408640922 569989071 /nfs/dbraw/zinc/98/90/71/569989071.db2.gz BQAQLMNPYXOLLV-BULFRSBZSA-N 0 0 475.501 3.873 40 5 JHBBRN Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000408648833 569993037 /nfs/dbraw/zinc/99/30/37/569993037.db2.gz KIEBWQRZXXUYKE-NDXORKPFSA-N 0 0 463.490 3.707 40 5 JHBBRN CC[C@H](C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225364260 569993117 /nfs/dbraw/zinc/99/31/17/569993117.db2.gz QTQSWRMYFMXLLH-VQTJNVASSA-N 0 0 463.556 3.724 40 5 JHBBRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)cc2)cc1[N+](=O)[O-] ZINC000408655082 569996601 /nfs/dbraw/zinc/99/66/01/569996601.db2.gz CRJXOSJIZLZVCM-KPOBHBOGSA-N 0 0 479.489 3.624 40 5 JHBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000408656500 569997635 /nfs/dbraw/zinc/99/76/35/569997635.db2.gz SSAQOIPPABYDMD-OALUTQOASA-N 0 0 469.881 3.664 40 5 JHBBRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)cc1[N+](=O)[O-] ZINC000408657137 569997987 /nfs/dbraw/zinc/99/79/87/569997987.db2.gz GEXWYDNPXVLNIS-VHKYSDTDSA-N 0 0 479.489 3.624 40 5 JHBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408658970 569999297 /nfs/dbraw/zinc/99/92/97/569999297.db2.gz VJCYSWWBHJMFAK-UXHICEINSA-N 0 0 481.892 3.830 40 5 JHBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408660272 570000147 /nfs/dbraw/zinc/00/01/47/570000147.db2.gz NHVZLUXYQPEGKU-NSHDSACASA-N 0 0 485.802 3.802 40 5 JHBBRN CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C(=O)c3ccccc3)C(=O)[C@@H]2C1 ZINC000408660210 570000171 /nfs/dbraw/zinc/00/01/71/570000171.db2.gz WMTHFCMMEOKLPX-ORYQWCPZSA-N 0 0 461.474 3.565 40 5 JHBBRN Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc(C)c1Br ZINC000408667752 570005531 /nfs/dbraw/zinc/00/55/31/570005531.db2.gz KKMQAWQNOIONLV-AWEZNQCLSA-N 0 0 490.310 3.509 40 5 JHBBRN COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)cc1[N+](=O)[O-] ZINC000408670905 570007390 /nfs/dbraw/zinc/00/73/90/570007390.db2.gz JSJJYGAGRUPMPE-GDIGMMSISA-N 0 0 480.473 3.569 40 5 JHBBRN CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000408671142 570007613 /nfs/dbraw/zinc/00/76/13/570007613.db2.gz JZKSOBXFCKGCAW-UHFFFAOYSA-N 0 0 486.477 3.705 40 5 JHBBRN Cc1c(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1Br ZINC000408671653 570007842 /nfs/dbraw/zinc/00/78/42/570007842.db2.gz SXVMSBCIIMHWED-CQSZACIVSA-N 0 0 490.310 3.509 40 5 JHBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225663022 570013224 /nfs/dbraw/zinc/01/32/24/570013224.db2.gz HDDFGJIUIUWYIQ-OXJNMPFZSA-N 0 0 475.517 3.843 40 5 JHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000408689662 570014990 /nfs/dbraw/zinc/01/49/90/570014990.db2.gz YTMOUVQDYHZSKC-IRXDYDNUSA-N 0 0 484.306 3.866 40 5 JHBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000408737725 570030909 /nfs/dbraw/zinc/03/09/09/570030909.db2.gz OEOHBHPDOUNKCS-SFHVURJKSA-N 0 0 466.475 3.985 40 5 JHBBRN O=C(COC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000408737801 570030979 /nfs/dbraw/zinc/03/09/79/570030979.db2.gz OWWCKJPGVRQKST-JOCHJYFZSA-N 0 0 462.458 3.858 40 5 JHBBRN CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@H]2NC(=O)c3ccccc3O2)C1 ZINC000253568890 570103766 /nfs/dbraw/zinc/10/37/66/570103766.db2.gz LTRWAEZFJYUKCG-MWTRTKDXSA-N 0 0 452.511 3.501 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000409126579 570138166 /nfs/dbraw/zinc/13/81/66/570138166.db2.gz LJOUHMDLQLHDQZ-UHFFFAOYSA-N 0 0 455.492 3.746 40 5 JHBBRN Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409128700 570139215 /nfs/dbraw/zinc/13/92/15/570139215.db2.gz GLHIZBRRXZDPLZ-UHFFFAOYSA-N 0 0 495.348 3.691 40 5 JHBBRN Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000409133617 570141226 /nfs/dbraw/zinc/14/12/26/570141226.db2.gz LVJHCMZGJVXSSJ-UHFFFAOYSA-N 0 0 495.348 3.691 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000409136163 570142338 /nfs/dbraw/zinc/14/23/38/570142338.db2.gz TXKJAYUPCOIYEN-HNNXBMFYSA-N 0 0 468.539 3.736 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000409140737 570144428 /nfs/dbraw/zinc/14/44/28/570144428.db2.gz IGSSQPIIBPGHGN-HNNXBMFYSA-N 0 0 498.565 3.745 40 5 JHBBRN COc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccccc3)C(C)C)n2C)c([N+](=O)[O-])c1 ZINC000409151162 570149125 /nfs/dbraw/zinc/14/91/25/570149125.db2.gz GMDZRPAUFKKTFP-HXUWFJFHSA-N 0 0 498.565 3.590 40 5 JHBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1C ZINC000409151761 570149384 /nfs/dbraw/zinc/14/93/84/570149384.db2.gz HZKNMQRNCSTCSW-BKUYFWCQSA-N 0 0 496.545 3.723 40 5 JHBBRN CCCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178140 570157779 /nfs/dbraw/zinc/15/77/79/570157779.db2.gz GUBXJPKELJBZPS-UHFFFAOYSA-N 0 0 469.947 3.677 40 5 JHBBRN Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409179100 570158236 /nfs/dbraw/zinc/15/82/36/570158236.db2.gz PCNIANPDUJWGQV-UHFFFAOYSA-N 0 0 461.386 3.969 40 5 JHBBRN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409212731 570170660 /nfs/dbraw/zinc/17/06/60/570170660.db2.gz QBGNQWGPTYGQDY-NDENLUEZSA-N 0 0 460.471 3.951 40 5 JHBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O ZINC000409227593 570176385 /nfs/dbraw/zinc/17/63/85/570176385.db2.gz QMWKXXKADRGIRV-DEDYPNTBSA-N 0 0 490.472 3.957 40 5 JHBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O)N1CCCC1 ZINC000408552832 570195627 /nfs/dbraw/zinc/19/56/27/570195627.db2.gz VXPUYXWCNIRKCO-DEDYPNTBSA-N 0 0 467.503 3.833 40 5 JHBBRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000408560956 570200646 /nfs/dbraw/zinc/20/06/46/570200646.db2.gz GCAIJDBNQXZCMG-CQSZACIVSA-N 0 0 467.931 3.605 40 5 JHBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCC ZINC000408570203 570204589 /nfs/dbraw/zinc/20/45/89/570204589.db2.gz ZTTHTBLDOUQSQL-UPNLOYSTSA-N 0 0 490.354 3.768 40 5 JHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(OC)c(Br)c3)CC2)c([N+](=O)[O-])c1 ZINC000408572273 570204912 /nfs/dbraw/zinc/20/49/12/570204912.db2.gz HZRNZFDTYBCINO-UHFFFAOYSA-N 0 0 492.326 3.505 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl ZINC000408582187 570206874 /nfs/dbraw/zinc/20/68/74/570206874.db2.gz BVFPTAYOEPVBHZ-UHFFFAOYSA-N 0 0 467.931 3.795 40 5 JHBBRN COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc(Br)c1OC(C)=O ZINC000003053511 194219970 /nfs/dbraw/zinc/21/99/70/194219970.db2.gz YQGHXYIUOOEYSN-NVNXTCNLSA-N 0 0 461.224 3.636 40 5 JHBBRN O=C(c1ccccc1I)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000008831792 194484406 /nfs/dbraw/zinc/48/44/06/194484406.db2.gz LXEOMUHAJIXNIX-UHFFFAOYSA-N 0 0 471.682 3.815 40 5 JHBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)OC ZINC000009232564 194618151 /nfs/dbraw/zinc/61/81/51/194618151.db2.gz FCTUOJLVFKPFPW-YBFXNURJSA-N 0 0 472.475 3.782 40 5 JHBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000021578337 195316508 /nfs/dbraw/zinc/31/65/08/195316508.db2.gz WTWAOAJDDPKYES-UHFFFAOYSA-N 0 0 460.918 3.714 40 5 JHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccco1 ZINC000102921446 130393082 /nfs/dbraw/zinc/39/30/82/130393082.db2.gz JSDFONGTODYTJO-HPNDGRJYSA-N 0 0 460.490 3.665 40 5 JHBBRN COc1ccc(-c2nc3c(n2C(C)=O)SC(c2ccc([N+](=O)[O-])cc2)=NN3C(C)=O)cc1 ZINC000016807266 523226898 /nfs/dbraw/zinc/22/68/98/523226898.db2.gz MXIYASQZDZJREX-UHFFFAOYSA-N 0 0 451.464 3.947 40 5 JHBBRN COc1ccc(OC)c(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)c1 ZINC000022760454 524866653 /nfs/dbraw/zinc/86/66/53/524866653.db2.gz ZBMPJQARGBEVME-UHFFFAOYSA-N 0 0 460.446 3.930 40 5 JHBBRN Cc1c(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000016250133 525601310 /nfs/dbraw/zinc/60/13/10/525601310.db2.gz UMOMFNXPCCGIBT-UHFFFAOYSA-N 0 0 468.457 3.885 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020008171 526082752 /nfs/dbraw/zinc/08/27/52/526082752.db2.gz CBKXTSUBDGDOQS-OAQYLSRUSA-N 0 0 457.483 3.571 40 5 JHBBRN O=C(O[C@@H]1[C@H]2OC3(CCCCC3)O[C@@H]2O[C@H]1[C@@H]1COC2(CCCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000005224033 526436250 /nfs/dbraw/zinc/43/62/50/526436250.db2.gz RQNDPNSXIWCPSZ-XANJAXJYSA-N 0 0 489.521 3.997 40 5 JHBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000020451438 526704549 /nfs/dbraw/zinc/70/45/49/526704549.db2.gz HRGCZNCNMUAJDU-UHFFFAOYSA-N 0 0 494.529 3.556 40 5 JHBBRN O=[N+]([O-])c1ccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3ccc(F)cc3)CC2)cc1 ZINC000013503854 527362573 /nfs/dbraw/zinc/36/25/73/527362573.db2.gz KGRZGDBOHHDFST-JOCHJYFZSA-N 0 0 451.506 3.747 40 5 JHBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000020483643 527388377 /nfs/dbraw/zinc/38/83/77/527388377.db2.gz FOGOYBAGHNEDOH-UHFFFAOYSA-N 0 0 481.939 3.991 40 5 JHBBRN O=C(c1cccc(Br)c1)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000000854849 553799793 /nfs/dbraw/zinc/79/97/93/553799793.db2.gz DFGAFSHBNZPTNK-INIZCTEOSA-N 0 0 458.190 3.967 40 5 JHBBRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2c1 ZINC000006408451 554534716 /nfs/dbraw/zinc/53/47/16/554534716.db2.gz ZDEYGDASHZRKNX-UHFFFAOYSA-N 0 0 453.476 3.729 40 5 JHBBRN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 ZINC000006904316 554560650 /nfs/dbraw/zinc/56/06/50/554560650.db2.gz ZUGFNCHNDWWBGB-FPAXGFGJSA-N 0 0 470.481 3.765 40 5 JHBBRN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1OC ZINC000008832330 554726374 /nfs/dbraw/zinc/72/63/74/554726374.db2.gz RZJFMZKSEDPABW-UHFFFAOYSA-N 0 0 456.499 3.821 40 5 JHBBRN CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c(C)c3)nn12 ZINC000008832764 554728182 /nfs/dbraw/zinc/72/81/82/554728182.db2.gz KMNKTEJAFJSGQJ-UHFFFAOYSA-N 0 0 497.562 3.767 40 5 JHBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000009064641 554882931 /nfs/dbraw/zinc/88/29/31/554882931.db2.gz JYGXUGVDQICUKD-UHFFFAOYSA-N 0 0 469.567 3.549 40 5 JHBBRN O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009202869 554973198 /nfs/dbraw/zinc/97/31/98/554973198.db2.gz SMYFSOGJBHJGKP-ZVLVQXPOSA-N 0 0 482.876 3.823 40 5 JHBBRN CC1=C[C@H]2[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 ZINC000009303928 555077477 /nfs/dbraw/zinc/07/74/77/555077477.db2.gz GJFQMAPHCKNEHN-LNRXMEIDSA-N 0 0 459.502 3.852 40 5 JHBBRN COc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013503907 555462163 /nfs/dbraw/zinc/46/21/63/555462163.db2.gz QMPVUIYHKLMGLI-QHCPKHFHSA-N 0 0 463.542 3.617 40 5 JHBBRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000019867731 555522018 /nfs/dbraw/zinc/52/20/18/555522018.db2.gz CNZNEKLZWRJLNW-UHFFFAOYSA-N 0 0 451.932 3.737 40 5 JHBBRN Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000019868695 555523372 /nfs/dbraw/zinc/52/33/72/555523372.db2.gz KOZXUYOVQZCQNO-UHFFFAOYSA-N 0 0 469.922 3.876 40 5 JHBBRN O=C(c1ccccc1Br)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 ZINC000013632957 555542801 /nfs/dbraw/zinc/54/28/01/555542801.db2.gz JIQKNKDGCXUUIO-KRWDZBQOSA-N 0 0 489.370 3.911 40 5 JHBBRN O=C(CNC(=O)c1ccc(Br)o1)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010000153 555589821 /nfs/dbraw/zinc/58/98/21/555589821.db2.gz CNZLKAMEYCCKAA-HXUWFJFHSA-N 0 0 487.262 3.848 40 5 JHBBRN O=c1[nH]nc(-c2cccc([N+](=O)[O-])c2)c2c1Nc1nnnn1[C@H]2c1ccc(Cl)cc1Cl ZINC000010296682 555675807 /nfs/dbraw/zinc/67/58/07/555675807.db2.gz PAHJYPYIARFWFD-INIZCTEOSA-N 0 0 457.237 3.745 40 5 JHBBRN CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000014152665 555708433 /nfs/dbraw/zinc/70/84/33/555708433.db2.gz DZLLYXRNSFVBQP-UHFFFAOYSA-N 0 0 461.475 3.664 40 5 JHBBRN O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014269591 555759447 /nfs/dbraw/zinc/75/94/47/555759447.db2.gz QAAOGBDCMMVCGA-UHFFFAOYSA-N 0 0 469.567 3.549 40 5 JHBBRN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000014272653 555770551 /nfs/dbraw/zinc/77/05/51/555770551.db2.gz KXPZZCNUVFJDHW-UHFFFAOYSA-N 0 0 458.478 3.726 40 5 JHBBRN Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])c(-c3cnn(-c4ccccc4)c3)n2)n(-c2ccccc2)n1 ZINC000020353078 555780870 /nfs/dbraw/zinc/78/08/70/555780870.db2.gz OJZWWVYRUCDATG-UHFFFAOYSA-N 0 0 468.477 3.777 40 5 JHBBRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014275626 555781369 /nfs/dbraw/zinc/78/13/69/555781369.db2.gz DAUXGCIXRNEPFU-UHFFFAOYSA-N 0 0 477.955 3.821 40 5 JHBBRN COc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)C(C)C ZINC000014276105 555782854 /nfs/dbraw/zinc/78/28/54/555782854.db2.gz CCUMVNZBJGXBGU-UHFFFAOYSA-N 0 0 485.566 3.925 40 5 JHBBRN CC(C)C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012275393 555948628 /nfs/dbraw/zinc/94/86/28/555948628.db2.gz FTFAVULDYDHMPV-UHFFFAOYSA-N 0 0 456.885 3.794 40 5 JHBBRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2C(N)=O)C1 ZINC000022744453 555950425 /nfs/dbraw/zinc/95/04/25/555950425.db2.gz NWWQCNCSUMRABW-AWEZNQCLSA-N 0 0 486.594 3.995 40 5 JHBBRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022748171 555951779 /nfs/dbraw/zinc/95/17/79/555951779.db2.gz RCDMROYWNFEYNS-UHFFFAOYSA-N 0 0 489.985 3.812 40 5 JHBBRN COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000018098494 556287483 /nfs/dbraw/zinc/28/74/83/556287483.db2.gz OHQNDLZFMYZILX-VJBWXMMDSA-N 0 0 475.457 3.663 40 5 JHBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(O)c(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1O ZINC000019075522 556327976 /nfs/dbraw/zinc/32/79/76/556327976.db2.gz RUXVCRQVJYIDIG-UHFFFAOYSA-N 0 0 468.374 3.628 40 5 JHBBRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])cc1OC ZINC000032114944 556421911 /nfs/dbraw/zinc/42/19/11/556421911.db2.gz PFBACUGZDUMICB-UHFFFAOYSA-N 0 0 460.512 3.624 40 5 JHBBRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1[N+](=O)[O-] ZINC000032127865 556432603 /nfs/dbraw/zinc/43/26/03/556432603.db2.gz HQMQJJHXSIOMRM-UHFFFAOYSA-N 0 0 483.535 3.513 40 5 JHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccccc1OCC ZINC000102741382 569819217 /nfs/dbraw/zinc/81/92/17/569819217.db2.gz NIGROIXRIPAWPU-RMLRFSFXSA-N 0 0 488.544 3.855 40 5 JHBBRN CCSc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(Cl)cc5)c(=O)c4cc3c2=O)n1 ZINC000040398936 569825911 /nfs/dbraw/zinc/82/59/11/569825911.db2.gz OJZRSALLUSIPAX-UHFFFAOYSA-N 0 0 450.911 3.573 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)o1 ZINC000106756075 569855568 /nfs/dbraw/zinc/85/55/68/569855568.db2.gz YORHZHFHEPTPKL-UNOMPAQXSA-N 0 0 471.491 3.912 40 5 JHBBRN Cc1c(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000107650187 569856861 /nfs/dbraw/zinc/85/68/61/569856861.db2.gz RKSCOLYAPBRMJU-UHFFFAOYSA-N 0 0 457.483 3.872 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000108107561 569858686 /nfs/dbraw/zinc/85/86/86/569858686.db2.gz RBPBHXZPWVNXTM-OAHLLOKOSA-N 0 0 468.539 3.736 40 5 JHBBRN Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c(C)c1 ZINC000108268059 569859333 /nfs/dbraw/zinc/85/93/33/569859333.db2.gz ZADPMBVAXJLWBS-UHFFFAOYSA-N 0 0 452.555 3.930 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2C)n1C ZINC000108921624 569859841 /nfs/dbraw/zinc/85/98/41/569859841.db2.gz QWNCTUFHZNPVMN-OAHLLOKOSA-N 0 0 468.539 3.562 40 5 JHBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000138651835 569866118 /nfs/dbraw/zinc/86/61/18/569866118.db2.gz RANZAPAAZAYCBV-WOJBJXKFSA-N 0 0 481.892 3.830 40 5 JHBBRN COC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000205774085 569874278 /nfs/dbraw/zinc/87/42/78/569874278.db2.gz ZDLYZEXVYIFORZ-LZYBPNLTSA-N 0 0 459.392 3.505 40 5 JHBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000205766037 569874301 /nfs/dbraw/zinc/87/43/01/569874301.db2.gz OTDMASBPEIFEMP-YBFXNURJSA-N 0 0 472.475 3.782 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000222985640 569896224 /nfs/dbraw/zinc/89/62/24/569896224.db2.gz VJPVSYZIPCPBPX-IRXDYDNUSA-N 0 0 459.568 3.814 40 5 JHBBRN CC[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223051649 569897799 /nfs/dbraw/zinc/89/77/99/569897799.db2.gz HPFYYRXXZYJHIU-HXUWFJFHSA-N 0 0 475.567 3.516 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O ZINC000223240370 569904597 /nfs/dbraw/zinc/90/45/97/569904597.db2.gz WQBBBIHVXJQPIA-KRWDZBQOSA-N 0 0 459.568 3.816 40 5 JHBBRN CC[C@H](C(=O)NCCOc1cccc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223565477 569916294 /nfs/dbraw/zinc/91/62/94/569916294.db2.gz PLORGGKHKRZKPK-OAQYLSRUSA-N 0 0 485.562 3.796 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccc2ccccc2c1)S(C)(=O)=O ZINC000223636185 569918634 /nfs/dbraw/zinc/91/86/34/569918634.db2.gz CSFAPYWHAWCPEY-UHFFFAOYSA-N 0 0 485.562 3.798 40 5 JHBBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000223733758 569921550 /nfs/dbraw/zinc/92/15/50/569921550.db2.gz COTLUEUKQCJTAH-YADHBBJMSA-N 0 0 465.535 3.706 40 5 JHBBRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223958915 569928416 /nfs/dbraw/zinc/92/84/16/569928416.db2.gz KSRVKOOASCFDQL-CYBMUJFWSA-N 0 0 484.336 3.842 40 5 JHBBRN 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O=C(COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1)Nc1ccccc1OC(F)F ZINC000408606118 569971155 /nfs/dbraw/zinc/97/11/55/569971155.db2.gz OEYQBWCFNYZFQT-JXMROGBWSA-N 0 0 474.376 3.585 40 5 JHBBRN C[C@@H](CCc1ccccc1)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000408615942 569975139 /nfs/dbraw/zinc/97/51/39/569975139.db2.gz DERDGUDOMQFASA-IBGZPJMESA-N 0 0 467.547 3.928 40 5 JHBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225128863 569976944 /nfs/dbraw/zinc/97/69/44/569976944.db2.gz LLLKIPFUGBGAFI-HXUWFJFHSA-N 0 0 457.527 3.624 40 5 JHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3Cl)C(=O)[C@@H]21 ZINC000408640053 569988689 /nfs/dbraw/zinc/98/86/89/569988689.db2.gz ADWFNAZDCJBGIP-YMTYPPQLSA-N 0 0 481.892 3.686 40 5 JHBBRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=C(C)C[C@@H]2C1=O ZINC000408642130 569989634 /nfs/dbraw/zinc/98/96/34/569989634.db2.gz DNMMXRDAMHHQHX-FDFHNCONSA-N 0 0 475.501 3.955 40 5 JHBBRN Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 ZINC000408654305 569996129 /nfs/dbraw/zinc/99/61/29/569996129.db2.gz QJQSAALNMUBHEG-WOSNLTMFSA-N 0 0 475.501 3.729 40 5 JHBBRN COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408656467 569997674 /nfs/dbraw/zinc/99/76/74/569997674.db2.gz SOTIFEWSVKZEJV-UHFFFAOYSA-N 0 0 493.859 3.793 40 5 JHBBRN CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C(=O)c3ccccc3)C(=O)[C@H]2C1 ZINC000408660208 570000149 /nfs/dbraw/zinc/00/01/49/570000149.db2.gz WMTHFCMMEOKLPX-CZAAIQMYSA-N 0 0 461.474 3.565 40 5 JHBBRN O=C(CCCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000408663848 570002655 /nfs/dbraw/zinc/00/26/55/570002655.db2.gz OVZDLJCCYQDBHF-UHFFFAOYSA-N 0 0 453.373 3.904 40 5 JHBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1[N+](=O)[O-] ZINC000408667097 570005094 /nfs/dbraw/zinc/00/50/94/570005094.db2.gz JEBLUPKPBXCKBF-GFCCVEGCSA-N 0 0 466.277 3.745 40 5 JHBBRN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000408672179 570008134 /nfs/dbraw/zinc/00/81/34/570008134.db2.gz MEUZWJDYNGVDGN-UHFFFAOYSA-N 0 0 479.283 3.901 40 5 JHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408676564 570010601 /nfs/dbraw/zinc/01/06/01/570010601.db2.gz ARZJLIFDZUXTCF-IYBDPMFKSA-N 0 0 486.868 3.889 40 5 JHBBRN CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408678770 570011488 /nfs/dbraw/zinc/01/14/88/570011488.db2.gz CZKOXAYKXFWNJJ-MJGOQNOKSA-N 0 0 481.892 3.830 40 5 JHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000408683792 570013358 /nfs/dbraw/zinc/01/33/58/570013358.db2.gz MEIXGIYLPPMLMW-KDURUIRLSA-N 0 0 484.306 3.866 40 5 JHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000408684215 570013465 /nfs/dbraw/zinc/01/34/65/570013465.db2.gz NAFSGHXDOUXNHO-YMTYPPQLSA-N 0 0 481.892 3.686 40 5 JHBBRN Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 ZINC000408685184 570013826 /nfs/dbraw/zinc/01/38/26/570013826.db2.gz OXVAWFOPHUPTMX-ILZDJORESA-N 0 0 463.490 3.565 40 5 JHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000408687610 570014276 /nfs/dbraw/zinc/01/42/76/570014276.db2.gz URTRSNRRMHNMOW-OALUTQOASA-N 0 0 484.306 3.866 40 5 JHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000408689660 570014988 /nfs/dbraw/zinc/01/49/88/570014988.db2.gz YTMOUVQDYHZSKC-IAGOWNOFSA-N 0 0 484.306 3.866 40 5 JHBBRN Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)C(C)C)c1 ZINC000409060817 570114093 /nfs/dbraw/zinc/11/40/93/570114093.db2.gz YGIVDSMBBWFKPL-HXUWFJFHSA-N 0 0 482.566 3.890 40 5 JHBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccccc2)n1C ZINC000409130709 570140072 /nfs/dbraw/zinc/14/00/72/570140072.db2.gz UHECQKLHTGBIPK-LJQANCHMSA-N 0 0 468.539 3.581 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000409134447 570141669 /nfs/dbraw/zinc/14/16/69/570141669.db2.gz SUFJLEQLFFBZNH-UHFFFAOYSA-N 0 0 485.518 3.754 40 5 JHBBRN Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1 ZINC000409145752 570146863 /nfs/dbraw/zinc/14/68/63/570146863.db2.gz RRCKGPNWWVTXNA-OAHLLOKOSA-N 0 0 468.539 3.562 40 5 JHBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n[nH]1 ZINC000409162827 570152567 /nfs/dbraw/zinc/15/25/67/570152567.db2.gz IKUPKWMEYFSIJN-BJZITVGISA-N 0 0 474.587 3.627 40 5 JHBBRN CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1=S ZINC000409168838 570154132 /nfs/dbraw/zinc/15/41/32/570154132.db2.gz NXRUHKFTQBCSPU-UHFFFAOYSA-N 0 0 468.539 3.528 40 5 JHBBRN COc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccccc4[N+](=O)[O-])cc3C2=O)c([N+](=O)[O-])c1 ZINC000409175656 570156665 /nfs/dbraw/zinc/15/66/65/570156665.db2.gz AHTFZFHYPXGMFF-UHFFFAOYSA-N 0 0 477.385 3.669 40 5 JHBBRN CCC1(CC)C[C@@H](NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc2O1 ZINC000260772652 570157711 /nfs/dbraw/zinc/15/77/11/570157711.db2.gz VKOOZMSJXIDDCP-OXJNMPFZSA-N 0 0 475.567 3.948 40 5 JHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182411 570159851 /nfs/dbraw/zinc/15/98/51/570159851.db2.gz LTTIVDPQOJFFFD-PRWBYUBPSA-N 0 0 497.960 3.668 40 5 JHBBRN CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000261364619 570168517 /nfs/dbraw/zinc/16/85/17/570168517.db2.gz MODYOYQHPJEKFS-QFIPXVFZSA-O 0 0 496.525 3.579 40 5 JHBBRN C[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328963445 570179575 /nfs/dbraw/zinc/17/95/75/570179575.db2.gz BNVJBMXCMJPQLI-NSHDSACASA-N 0 0 483.834 3.984 40 5 JHBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)cccc1[N+](=O)[O-] ZINC000408528578 570186843 /nfs/dbraw/zinc/18/68/43/570186843.db2.gz GQPPPQDDGXTYPQ-UHFFFAOYSA-N 0 0 467.931 3.749 40 5 JHBBRN COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000408549192 570194401 /nfs/dbraw/zinc/19/44/01/570194401.db2.gz QNSAPGDPEFJJDP-LZYBPNLTSA-N 0 0 480.260 3.546 40 5 JHBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000408553246 570195741 /nfs/dbraw/zinc/19/57/41/570195741.db2.gz PJXUMLKQHDLWFG-UHFFFAOYSA-N 0 0 469.519 3.741 40 5 JHBBRN COc1ccc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Br ZINC000408564937 570202944 /nfs/dbraw/zinc/20/29/44/570202944.db2.gz GOILNJUYHLMTIB-KRQVXIAISA-N 0 0 458.312 3.512 40 5 JHBBRN COc1ccc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Br ZINC000408564936 570202946 /nfs/dbraw/zinc/20/29/46/570202946.db2.gz GOILNJUYHLMTIB-HKJQZYRSSA-N 0 0 458.312 3.512 40 5 JHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N ZINC000008644366 194472899 /nfs/dbraw/zinc/47/28/99/194472899.db2.gz SDXFKOBHCRDDTA-UHFFFAOYSA-N 0 0 453.311 3.913 40 5 JHBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000008832517 194486475 /nfs/dbraw/zinc/48/64/75/194486475.db2.gz FKVBDRKEYGHBGV-UHFFFAOYSA-N 0 0 460.918 3.958 40 5 JHBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@@H]2C(=O)C(C)(C)C ZINC000009111054 194531262 /nfs/dbraw/zinc/53/12/62/194531262.db2.gz CGCRXLSKRHHLNI-YSFYHYPLSA-N 0 0 459.502 3.908 40 5 JHBBRN CS(=O)(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000021595592 195317835 /nfs/dbraw/zinc/31/78/35/195317835.db2.gz ZFOCDBHWQXQRLT-ACCUITESSA-N 0 0 496.545 3.588 40 5 JHBBRN CCOC(=O)C1C(Nc2ccccc2)=C[C@@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009245671 520537170 /nfs/dbraw/zinc/53/71/70/520537170.db2.gz UXGJVFWQBGZVEQ-NIRIFSCTSA-N 0 0 468.506 3.942 40 5 JHBBRN COc1ccc(Cl)cc1C(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016226777 524194418 /nfs/dbraw/zinc/19/44/18/524194418.db2.gz CAVMEAZROSOANZ-UHFFFAOYSA-N 0 0 469.350 3.747 40 5 JHBBRN COc1ccc2c3nc(C(=O)NC[C@H]4CCCO4)cc4c5ccccc5n(c43)c(=O)c2c1OC ZINC000008878220 525618053 /nfs/dbraw/zinc/61/80/53/525618053.db2.gz NUZSLOLCHMRRGU-CQSZACIVSA-N 0 0 457.486 3.518 40 5 biogenic JHBBRN O=C(COc1ccc(Br)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016383984 526947217 /nfs/dbraw/zinc/94/72/17/526947217.db2.gz PCAMTBBLVCIDKY-UHFFFAOYSA-N 0 0 454.708 3.738 40 5 JHBBRN COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2c1 ZINC000000918441 553850061 /nfs/dbraw/zinc/85/00/61/553850061.db2.gz VLOYMFAYXOYTCL-UHFFFAOYSA-N 0 0 493.541 3.879 40 5 JHBBRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001846636 553995174 /nfs/dbraw/zinc/99/51/74/553995174.db2.gz SYNTUWADQCYUHO-UHFFFAOYSA-N 0 0 495.586 3.746 40 5 JHBBRN O=C([O-])C1CC[NH+](Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(Br)cn32)CC1 ZINC000002528859 554232609 /nfs/dbraw/zinc/23/26/09/554232609.db2.gz GTAWFKLRVIVMIK-UHFFFAOYSA-N 0 0 459.300 3.969 40 5 JHBBRN Cc1cc(Cl)ccc1Nc1nc(O)c(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000005891739 554495347 /nfs/dbraw/zinc/49/53/47/554495347.db2.gz ONAUUOZCZJZPBW-OAHLLOKOSA-N 0 0 463.859 3.904 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)CCCC4 ZINC000006906675 554561807 /nfs/dbraw/zinc/56/18/07/554561807.db2.gz WZIVAWZEUKRJQL-UHFFFAOYSA-N 0 0 470.536 3.865 40 5 JHBBRN COc1ccc2nc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000009064789 554883562 /nfs/dbraw/zinc/88/35/62/554883562.db2.gz PTXYBQMMBIMGJQ-UHFFFAOYSA-N 0 0 457.537 3.940 40 5 JHBBRN O=C(Nc1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000009312799 555088881 /nfs/dbraw/zinc/08/88/81/555088881.db2.gz VXNPWLSUMVHERL-OLKYXYMISA-N 0 0 480.480 3.749 40 5 JHBBRN CCOc1ccc(N2C(=O)[C@H]3Sc4[nH]c(=O)sc4[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 ZINC000013563957 555498972 /nfs/dbraw/zinc/49/89/72/555498972.db2.gz XNXJKHGEFJCZGR-NUJGCVRESA-N 0 0 483.527 3.539 40 5 JHBBRN CCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000019856210 555514627 /nfs/dbraw/zinc/51/46/27/555514627.db2.gz WPDDVGRQWAITQW-UHFFFAOYSA-N 0 0 496.545 3.569 40 5 JHBBRN O=C(c1ccccc1Br)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 ZINC000013632961 555542848 /nfs/dbraw/zinc/54/28/48/555542848.db2.gz JIQKNKDGCXUUIO-QGZVFWFLSA-N 0 0 489.370 3.911 40 5 JHBBRN Cc1ccc(S(=O)(=O)NCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000010042385 555606829 /nfs/dbraw/zinc/60/68/29/555606829.db2.gz FVENJEJVWFMJAC-UHFFFAOYSA-N 0 0 456.476 3.717 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000010356872 555695595 /nfs/dbraw/zinc/69/55/95/555695595.db2.gz QCIVNGUJCBBMMU-UHFFFAOYSA-N 0 0 455.920 3.750 40 5 JHBBRN COc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl ZINC000010370537 555699369 /nfs/dbraw/zinc/69/93/69/555699369.db2.gz KKMJECWPFSGXPA-UHFFFAOYSA-N 0 0 455.920 3.750 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000010434123 555708883 /nfs/dbraw/zinc/70/88/83/555708883.db2.gz SIKLYUIRYOOLQR-UHFFFAOYSA-N 0 0 465.837 3.980 40 5 JHBBRN CCOc1ccc(CNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000010448596 555714484 /nfs/dbraw/zinc/71/44/84/555714484.db2.gz KKJIIELBNDOKFE-UHFFFAOYSA-N 0 0 469.519 3.505 40 5 JHBBRN CCc1cc(I)ccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000014271110 555764922 /nfs/dbraw/zinc/76/49/22/555764922.db2.gz YMFNHDZQGAVFBG-UHFFFAOYSA-N 0 0 455.277 3.889 40 5 JHBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000014273406 555773054 /nfs/dbraw/zinc/77/30/54/555773054.db2.gz SLWWRRPIUXPTQC-UHFFFAOYSA-N 0 0 460.918 3.958 40 5 JHBBRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000014276304 555783441 /nfs/dbraw/zinc/78/34/41/555783441.db2.gz LVEAWDDDNASKQR-UHFFFAOYSA-N 0 0 483.594 3.795 40 5 JHBBRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)cc2)CC1 ZINC000014276812 555784485 /nfs/dbraw/zinc/78/44/85/555784485.db2.gz OCRLMANUGFZSCK-UHFFFAOYSA-N 0 0 499.593 3.569 40 5 JHBBRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000014276791 555784553 /nfs/dbraw/zinc/78/45/53/555784553.db2.gz HBGAVWNHMYBRNI-UHFFFAOYSA-N 0 0 489.985 3.824 40 5 JHBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020410823 555787786 /nfs/dbraw/zinc/78/77/86/555787786.db2.gz CPICHQPJOPUWAW-UHFFFAOYSA-N 0 0 455.471 3.582 40 5 JHBBRN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)CC2)c1 ZINC000020411645 555789296 /nfs/dbraw/zinc/78/92/96/555789296.db2.gz BDMAWYTYHYZCLE-UHFFFAOYSA-N 0 0 490.516 3.827 40 5 JHBBRN O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020529089 555794071 /nfs/dbraw/zinc/79/40/71/555794071.db2.gz AWEMOQXKSNVSJV-UHFFFAOYSA-N 0 0 456.808 3.711 40 5 JHBBRN 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490.310 3.509 40 5 JHBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 ZINC000408656996 569997978 /nfs/dbraw/zinc/99/79/78/569997978.db2.gz TVHOSLCVGWOMFC-MAODMQOUSA-N 0 0 463.490 3.565 40 5 JHBBRN Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)cc1Br ZINC000408660594 570000410 /nfs/dbraw/zinc/00/04/10/570000410.db2.gz BBSVXNCWGNZIHM-UHFFFAOYSA-N 0 0 478.299 3.875 40 5 JHBBRN CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408661785 570001227 /nfs/dbraw/zinc/00/12/27/570001227.db2.gz CPEHYMLANXZJSA-UHFFFAOYSA-N 0 0 485.493 3.698 40 5 JHBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000408663163 570002214 /nfs/dbraw/zinc/00/22/14/570002214.db2.gz GSNFVXBHOKLHBE-UHFFFAOYSA-N 0 0 485.493 3.759 40 5 JHBBRN Cc1cc(Br)ccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000408664638 570003340 /nfs/dbraw/zinc/00/33/40/570003340.db2.gz RXRWDKDVLOLBQC-UHFFFAOYSA-N 0 0 478.299 3.956 40 5 JHBBRN 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COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225651808 570012503 /nfs/dbraw/zinc/01/25/03/570012503.db2.gz KZGMKEYYTILCCL-KRWDZBQOSA-N 0 0 459.568 3.779 40 5 JHBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000408684210 570013524 /nfs/dbraw/zinc/01/35/24/570013524.db2.gz NAFSGHXDOUXNHO-CFCCAZDESA-N 0 0 481.892 3.686 40 5 JHBBRN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408729804 570028800 /nfs/dbraw/zinc/02/88/00/570028800.db2.gz DEMARJUSQMKNRE-OAQYLSRUSA-N 0 0 471.535 3.881 40 5 JHBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000408736862 570030532 /nfs/dbraw/zinc/03/05/32/570030532.db2.gz JQBWHNUDXYMWTF-GOSISDBHSA-N 0 0 466.475 3.985 40 5 JHBBRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409001099 570096343 /nfs/dbraw/zinc/09/63/43/570096343.db2.gz GSWRZQMPSQOUIT-FQEVSTJZSA-N 0 0 467.478 3.938 40 5 JHBBRN Cc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409128996 570139305 /nfs/dbraw/zinc/13/93/05/570139305.db2.gz QHAWRNBJRZSSTA-HXUWFJFHSA-N 0 0 482.566 3.890 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000409131005 570140123 /nfs/dbraw/zinc/14/01/23/570140123.db2.gz MOTGPQJQHWRUPJ-OAHLLOKOSA-N 0 0 468.539 3.736 40 5 JHBBRN CCn1c(SCC(=O)Nc2ncccc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409148541 570148123 /nfs/dbraw/zinc/14/81/23/570148123.db2.gz ZRTUTOZWCMJSMX-LJQANCHMSA-N 0 0 497.581 3.768 40 5 JHBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc2c(c1)OCO2 ZINC000409151358 570149287 /nfs/dbraw/zinc/14/92/87/570149287.db2.gz GIAXYTYJTTUODH-SOFYXZRVSA-N 0 0 461.839 3.652 40 5 JHBBRN COc1cccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1 ZINC000409154856 570150190 /nfs/dbraw/zinc/15/01/90/570150190.db2.gz KSRZTDMUYSBXEP-IBGZPJMESA-N 0 0 484.538 3.579 40 5 JHBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccccc2)n[nH]1 ZINC000409157190 570150980 /nfs/dbraw/zinc/15/09/80/570150980.db2.gz UNPMFLCDHXEXJR-SFHVURJKSA-N 0 0 454.512 3.571 40 5 JHBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n[nH]1 ZINC000409162828 570152605 /nfs/dbraw/zinc/15/26/05/570152605.db2.gz IKUPKWMEYFSIJN-FNHZYXHNSA-N 0 0 474.587 3.627 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O ZINC000260941200 570165631 /nfs/dbraw/zinc/16/56/31/570165631.db2.gz RMKJBWPRJZXROT-GOSISDBHSA-N 0 0 477.583 3.952 40 5 JHBBRN CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260947454 570165834 /nfs/dbraw/zinc/16/58/34/570165834.db2.gz VSDDSBUHRRMKHZ-IERDGZPVSA-N 0 0 459.568 3.814 40 5 JHBBRN CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260947457 570165863 /nfs/dbraw/zinc/16/58/63/570165863.db2.gz VSDDSBUHRRMKHZ-IIBYNOLFSA-N 0 0 459.568 3.814 40 5 JHBBRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000261362480 570167602 /nfs/dbraw/zinc/16/76/02/570167602.db2.gz DIJJOGTWFLONNN-LJQANCHMSA-O 0 0 458.907 3.724 40 5 JHBBRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000261366153 570169422 /nfs/dbraw/zinc/16/94/22/570169422.db2.gz XQQMTPBDEUTZGV-QFIPXVFZSA-O 0 0 476.494 3.940 40 5 JHBBRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](C)CO)n2)cccc1[N+](=O)[O-] ZINC000328955957 570179338 /nfs/dbraw/zinc/17/93/38/570179338.db2.gz AFDWAXCECDWNMK-LBPRGKRZSA-N 0 0 463.416 3.639 40 5 JHBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000409238784 570181038 /nfs/dbraw/zinc/18/10/38/570181038.db2.gz LFHGIWZZDVBMQB-FYJGNVAPSA-N 0 0 487.472 3.876 40 5 JHBBRN O=C(Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000408527166 570186230 /nfs/dbraw/zinc/18/62/30/570186230.db2.gz FFUOPLNDWODLIX-UHFFFAOYSA-N 0 0 458.478 3.756 40 5 JHBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000409255326 570186772 /nfs/dbraw/zinc/18/67/72/570186772.db2.gz YSXDXPDRHNWEMS-MOSHPQCFSA-N 0 0 460.446 3.949 40 5 JHBBRN COc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccccc1 ZINC000409264371 570188194 /nfs/dbraw/zinc/18/81/94/570188194.db2.gz FGLOUCUOHFIOTJ-UHFFFAOYSA-N 0 0 455.492 3.746 40 5 JHBBRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1C ZINC000408557019 570197952 /nfs/dbraw/zinc/19/79/52/570197952.db2.gz KKZBPHBQJPCCOY-UHFFFAOYSA-N 0 0 461.540 3.650 40 5 JHBBRN CN1C[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566006 570203629 /nfs/dbraw/zinc/20/36/29/570203629.db2.gz MODWHTDXURENOY-XRODADMRSA-N 0 0 474.473 3.696 40 5 JHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000408573768 570205208 /nfs/dbraw/zinc/20/52/08/570205208.db2.gz OCLPXXQESWMXNQ-UHFFFAOYSA-N 0 0 475.929 3.769 40 5 JHBBRN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1ccccc1 ZINC000009348123 194705764 /nfs/dbraw/zinc/70/57/64/194705764.db2.gz RDBXRFOLKKAKLB-XQUALCHDSA-N 0 0 465.465 3.993 40 5 JHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020611805 195186003 /nfs/dbraw/zinc/18/60/03/195186003.db2.gz PCEUCLAAGRKNSL-UHFFFAOYSA-N 0 0 455.471 3.582 40 5 JHBBRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000224822745 195461876 /nfs/dbraw/zinc/46/18/76/195461876.db2.gz NYWQFLFDMLNJPH-UHFFFAOYSA-N 0 0 487.509 3.509 40 5 JHBBRN Cc1ccccc1OCCNC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000224863145 195469782 /nfs/dbraw/zinc/46/97/82/195469782.db2.gz IMXWDYQXHORGOY-UHFFFAOYSA-N 0 0 497.573 3.987 40 5 JHBBRN CC(=O)C1=NN(c2ccccc2)[C@@](SCc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)S1 ZINC000096191957 129983393 /nfs/dbraw/zinc/98/33/93/129983393.db2.gz LAOFOKSEXBTGRG-OAQYLSRUSA-N 0 0 458.565 3.927 40 5 JHBBRN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000103561652 130644279 /nfs/dbraw/zinc/64/42/79/130644279.db2.gz BAWJXRHKMDLBLH-LWSSLDFYSA-N 0 0 471.513 3.996 40 5 JHBBRN CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000016320850 519640793 /nfs/dbraw/zinc/64/07/93/519640793.db2.gz CAJUSMUFYUUGTE-YCRREMRBSA-N 0 0 477.955 3.608 40 5 JHBBRN CC(C)Oc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022429732 519779283 /nfs/dbraw/zinc/77/92/83/519779283.db2.gz YVTKHRBRVOBIDM-UHFFFAOYSA-N 0 0 483.546 3.894 40 5 JHBBRN CCSc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1 ZINC000040398915 521784707 /nfs/dbraw/zinc/78/47/07/521784707.db2.gz UBVDPEPLCPQLPH-NJSLBKSFSA-N 0 0 450.568 3.928 40 5 JHBBRN Cc1ccc(NC(=O)CSc2nc(-c3ccncc3)nn2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000012487462 525077826 /nfs/dbraw/zinc/07/78/26/525077826.db2.gz JCXGGMMKSISLFX-UHFFFAOYSA-N 0 0 464.463 3.569 40 5 JHBBRN O=C(c1ccccn1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000036307662 526815701 /nfs/dbraw/zinc/81/57/01/526815701.db2.gz VODICKRBOLSNKG-WTEVXDJOSA-N 0 0 472.526 3.809 40 5 JHBBRN Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)cc1[N+](=O)[O-] ZINC000001917862 554004477 /nfs/dbraw/zinc/00/44/77/554004477.db2.gz FYMPIOBYFIBZFH-UHFFFAOYSA-N 0 0 475.413 3.869 40 5 JHBBRN COCCCNC(=O)[C@H](C)Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1c3ccc(OC)c1OC ZINC000008792119 554685333 /nfs/dbraw/zinc/68/53/33/554685333.db2.gz PORYACDVZLWPLO-HNNXBMFYSA-N 0 0 489.528 3.529 40 5 biogenic JHBBRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000009064682 554883047 /nfs/dbraw/zinc/88/30/47/554883047.db2.gz CPLRXZLKNBQOMF-AWEZNQCLSA-N 0 0 458.540 3.777 40 5 JHBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000013424468 555398754 /nfs/dbraw/zinc/39/87/54/555398754.db2.gz ZLCFNWKDDNSRGH-GOSISDBHSA-N 0 0 484.494 3.671 40 5 JHBBRN COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000013503877 555462236 /nfs/dbraw/zinc/46/22/36/555462236.db2.gz OZRPZKVUSCFQMD-QHCPKHFHSA-N 0 0 463.542 3.617 40 5 JHBBRN O=[N+]([O-])c1ccc(N2CCN([C@H](c3nnnn3Cc3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013504765 555464597 /nfs/dbraw/zinc/46/45/97/555464597.db2.gz QKGAGAXRBFPESB-DEOSSOPVSA-N 0 0 491.502 3.819 40 5 JHBBRN COc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000013504919 555465016 /nfs/dbraw/zinc/46/50/16/555465016.db2.gz LNGXJPPWDZHLIH-VWLOTQADSA-N 0 0 485.548 3.550 40 5 JHBBRN COc1ccc2oc(=O)c(-c3csc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)n3)cc2c1 ZINC000013615623 555535971 /nfs/dbraw/zinc/53/59/71/555535971.db2.gz QXGZJMOMMAZUTF-UHFFFAOYSA-N 0 0 468.403 3.994 40 5 JHBBRN COc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(Br)cc3)n2)c([N+](=O)[O-])c1 ZINC000019927829 555542859 /nfs/dbraw/zinc/54/28/59/555542859.db2.gz TXOIFEHMBUNFST-UHFFFAOYSA-N 0 0 464.301 3.882 40 5 JHBBRN O=C(CNC(=O)c1ccc(Br)o1)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010000154 555589845 /nfs/dbraw/zinc/58/98/45/555589845.db2.gz CNZLKAMEYCCKAA-FQEVSTJZSA-N 0 0 487.262 3.848 40 5 JHBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nn12 ZINC000010010266 555592205 /nfs/dbraw/zinc/59/22/05/555592205.db2.gz OCINVAANXGLCAN-UHFFFAOYSA-N 0 0 454.468 3.593 40 5 JHBBRN O=[N+]([O-])c1ccc(N2CCN([C@H](c3cccs3)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 ZINC000020098375 555632894 /nfs/dbraw/zinc/63/28/94/555632894.db2.gz MJBZWXZDCSIZJC-JOCHJYFZSA-N 0 0 479.541 3.742 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000014135343 555703151 /nfs/dbraw/zinc/70/31/51/555703151.db2.gz VTOWTQMEUUGKBP-UHFFFAOYSA-N 0 0 453.520 3.775 40 5 JHBBRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010446553 555713277 /nfs/dbraw/zinc/71/32/77/555713277.db2.gz AMJHXIMWLDBTRH-UHFFFAOYSA-N 0 0 497.529 3.914 40 5 JHBBRN COc1ccc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)c([N+](=O)[O-])c1 ZINC000014269681 555759820 /nfs/dbraw/zinc/75/98/20/555759820.db2.gz SPHTYPJNMCUTME-UHFFFAOYSA-N 0 0 454.302 3.810 40 5 JHBBRN CCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 ZINC000014273750 555774522 /nfs/dbraw/zinc/77/45/22/555774522.db2.gz XLRLFUGBIBFDSB-UHFFFAOYSA-N 0 0 497.621 3.821 40 5 JHBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000020410918 555788092 /nfs/dbraw/zinc/78/80/92/555788092.db2.gz QDVTZEKMHMDPPU-UHFFFAOYSA-N 0 0 455.323 3.865 40 5 JHBBRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014278600 555789088 /nfs/dbraw/zinc/78/90/88/555789088.db2.gz QLRXVAIEBFZZGX-UHFFFAOYSA-N 0 0 476.468 3.865 40 5 JHBBRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 ZINC000020411809 555789316 /nfs/dbraw/zinc/78/93/16/555789316.db2.gz WXKIUDUXHFKRRX-UHFFFAOYSA-N 0 0 470.507 3.859 40 5 JHBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2Cl)CC1 ZINC000020528435 555792320 /nfs/dbraw/zinc/79/23/20/555792320.db2.gz JVXWPHUBUXAUIW-UHFFFAOYSA-N 0 0 474.945 3.960 40 5 JHBBRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000022248985 555899246 /nfs/dbraw/zinc/89/92/46/555899246.db2.gz ICGHMJPUFPAWKQ-UHFFFAOYSA-N 0 0 455.920 3.605 40 5 JHBBRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000022743015 555949827 /nfs/dbraw/zinc/94/98/27/555949827.db2.gz VQUYFBIVRMTRJD-UHFFFAOYSA-N 0 0 485.566 3.687 40 5 JHBBRN COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000023658267 556082319 /nfs/dbraw/zinc/08/23/19/556082319.db2.gz XTCUIXCDGCPSDI-UHFFFAOYSA-N 0 0 455.492 3.746 40 5 JHBBRN O=C(c1cccc(I)c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016399200 556137248 /nfs/dbraw/zinc/13/72/48/556137248.db2.gz MHCUFNKNWRHRDB-UHFFFAOYSA-N 0 0 471.682 3.815 40 5 JHBBRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 ZINC000018066759 556282635 /nfs/dbraw/zinc/28/26/35/556282635.db2.gz VBVWROWRQDQKRV-VABKMULXSA-N 0 0 475.457 3.663 40 5 JHBBRN Cc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1[N+](=O)[O-] ZINC000057316701 569598011 /nfs/dbraw/zinc/59/80/11/569598011.db2.gz NKDQQURXQHKLCL-UHFFFAOYSA-N 0 0 490.866 3.950 40 5 JHBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)OC ZINC000008722229 569598969 /nfs/dbraw/zinc/59/89/69/569598969.db2.gz YDGLUSAZPXAMLM-YBFXNURJSA-N 0 0 472.475 3.782 40 5 JHBBRN Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)c1 ZINC000033408458 569625986 /nfs/dbraw/zinc/62/59/86/569625986.db2.gz SLSKUFUNSCUENG-ZDUSSCGKSA-N 0 0 488.957 3.907 40 5 JHBBRN CC1=C[C@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 ZINC000101447055 569797673 /nfs/dbraw/zinc/79/76/73/569797673.db2.gz GJFQMAPHCKNEHN-MYGLTJDJSA-N 0 0 459.502 3.852 40 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CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222405312 569884142 /nfs/dbraw/zinc/88/41/42/569884142.db2.gz VIALCKLYGUEXJH-HXUWFJFHSA-N 0 0 457.527 3.623 40 5 JHBBRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222988793 569896283 /nfs/dbraw/zinc/89/62/83/569896283.db2.gz QWLHVTGYUDQILM-HRAATJIYSA-N 0 0 489.594 3.904 40 5 JHBBRN CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223113120 569899732 /nfs/dbraw/zinc/89/97/32/569899732.db2.gz DWOCXDWAVWIBAQ-FQEVSTJZSA-N 0 0 459.568 3.816 40 5 JHBBRN CC[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223115502 569899843 /nfs/dbraw/zinc/89/98/43/569899843.db2.gz DLTKUQDDUJLVRN-OPAMFIHVSA-N 0 0 459.568 3.896 40 5 JHBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223136582 569900720 /nfs/dbraw/zinc/90/07/20/569900720.db2.gz AKTYGVFIFXGLFP-GOSISDBHSA-N 0 0 457.527 3.624 40 5 JHBBRN CC[C@H](C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223157014 569901467 /nfs/dbraw/zinc/90/14/67/569901467.db2.gz HHCUXYNCBRYBJJ-RBUKOAKNSA-N 0 0 493.582 3.733 40 5 JHBBRN Cc1ccc(OCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000223528832 569914732 /nfs/dbraw/zinc/91/47/32/569914732.db2.gz MOXBQYOWJQLNOS-UHFFFAOYSA-N 0 0 483.546 3.602 40 5 JHBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223601190 569917478 /nfs/dbraw/zinc/91/74/78/569917478.db2.gz HZKKISFARQJDQV-HXUWFJFHSA-N 0 0 457.527 3.706 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000223652838 569919000 /nfs/dbraw/zinc/91/90/00/569919000.db2.gz WXXWBQPPBPBOPQ-KRWDZBQOSA-N 0 0 477.583 3.550 40 5 JHBBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000223671450 569919566 /nfs/dbraw/zinc/91/95/66/569919566.db2.gz SFHKVYVQXZJOQO-FCHUYYIVSA-N 0 0 482.518 3.794 40 5 JHBBRN 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JHBBRN CCCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1 ZINC000409130430 570139928 /nfs/dbraw/zinc/13/99/28/570139928.db2.gz HUCJYAXWDVIVJZ-UHFFFAOYSA-N 0 0 455.496 3.688 40 5 JHBBRN Cc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3)C(C)C)n2C)cc1[N+](=O)[O-] ZINC000409162300 570152373 /nfs/dbraw/zinc/15/23/73/570152373.db2.gz ZSUUWRZLLIJZQJ-FQEVSTJZSA-N 0 0 482.566 3.890 40 5 JHBBRN CCc1ccc([C@H](C)NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 ZINC000260746381 570156214 /nfs/dbraw/zinc/15/62/14/570156214.db2.gz WPHDCMQLQRMLIA-KXBFYZLASA-N 0 0 463.556 3.588 40 5 JHBBRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409180237 570158742 /nfs/dbraw/zinc/15/87/42/570158742.db2.gz VFGAQTJEXPKKRM-UHFFFAOYSA-N 0 0 477.385 3.635 40 5 JHBBRN CCOc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409189608 570161493 /nfs/dbraw/zinc/16/14/93/570161493.db2.gz RMJDMSZPNYTMJK-LZYBPNLTSA-N 0 0 476.283 3.858 40 5 JHBBRN 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Cc1c(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)cccc1[N+](=O)[O-] ZINC000408585511 570207948 /nfs/dbraw/zinc/20/79/48/570207948.db2.gz YUNPSEKOOQBSRE-UHFFFAOYSA-N 0 0 467.931 3.795 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408592837 570209536 /nfs/dbraw/zinc/20/95/36/570209536.db2.gz OVFZEABLILVBRP-MRXNPFEDSA-N 0 0 461.540 3.920 40 5 JHBBRN COc1cccc(-c2csc(N3CCN(CC(=O)Nc4cc([N+](=O)[O-])ccc4C)CC3)n2)c1 ZINC000001349824 194099312 /nfs/dbraw/zinc/09/93/12/194099312.db2.gz ZLSBBIQQTNIRHY-UHFFFAOYSA-N 0 0 467.551 3.796 40 5 JHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000009011860 194504490 /nfs/dbraw/zinc/50/44/90/194504490.db2.gz YVABIXBWEIIYHN-KIHHCIJBSA-N 0 0 498.470 3.762 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059398070 195398531 /nfs/dbraw/zinc/39/85/31/195398531.db2.gz XGRIKIQSOQREOF-LQDNNDEMSA-N 0 0 455.426 3.688 40 5 JHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cc(C)cc(C)c1 ZINC000102920980 130392179 /nfs/dbraw/zinc/39/21/79/130392179.db2.gz XCRQPXBHLUCCJT-WEMUOSSPSA-N 0 0 458.518 3.765 40 5 JHBBRN Cc1ccc(N2C(=O)[C@H]3[C@H]4C=Cc5ccccc5N4[C@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000103531492 130641944 /nfs/dbraw/zinc/64/19/44/130641944.db2.gz WTXABRIVQCVUTO-RCTAOEEJSA-N 0 0 494.507 3.932 40 5 JHBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(Br)c2)cc1[N+](=O)[O-] ZINC000016693003 520902404 /nfs/dbraw/zinc/90/24/04/520902404.db2.gz IGGIFLZDVNNHCF-UHFFFAOYSA-N 0 0 454.302 3.891 40 5 JHBBRN CCOc1ccccc1CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000022429726 521491703 /nfs/dbraw/zinc/49/17/03/521491703.db2.gz PNQWDYFNXKFRCP-UHFFFAOYSA-N 0 0 469.519 3.505 40 5 JHBBRN Cc1cc(C)nc(SCc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)n1 ZINC000012494517 524602048 /nfs/dbraw/zinc/60/20/48/524602048.db2.gz VXXFVLQIAIGNPI-AWEZNQCLSA-N 0 0 473.584 3.850 40 5 JHBBRN Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000020486575 524692840 /nfs/dbraw/zinc/69/28/40/524692840.db2.gz GPJPPUWIXHCEET-UHFFFAOYSA-N 0 0 461.521 3.646 40 5 JHBBRN C[C@H](NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000016576094 525276948 /nfs/dbraw/zinc/27/69/48/525276948.db2.gz OUQNNVUCKBEEBH-KSKOPSKJSA-N 0 0 472.611 3.641 40 5 JHBBRN Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)c(C)c1 ZINC000020456883 525301608 /nfs/dbraw/zinc/30/16/08/525301608.db2.gz OITGKOUZXYDZOF-UHFFFAOYSA-N 0 0 475.548 3.954 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](c1ccccc1)c1ccccc1C)S(C)(=O)=O ZINC000022523675 525465326 /nfs/dbraw/zinc/46/53/26/525465326.db2.gz CNELYKHGELKBNR-XMMPIXPASA-N 0 0 483.546 3.584 40 5 JHBBRN CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000000918548 553850025 /nfs/dbraw/zinc/85/00/25/553850025.db2.gz DCXYYHIACZNDOV-UHFFFAOYSA-N 0 0 494.529 3.621 40 5 JHBBRN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000006135603 554507813 /nfs/dbraw/zinc/50/78/13/554507813.db2.gz QDQMPQWAJIOTFT-UHFFFAOYSA-N 0 0 456.528 3.866 40 5 JHBBRN COc1ccc2c3nccc4c5cc(OCC(=O)NCc6ccco6)ccc5n(c43)c(=O)c2c1OC ZINC000008792273 554685513 /nfs/dbraw/zinc/68/55/13/554685513.db2.gz QUZPKRMJNVBCNA-UHFFFAOYSA-N 0 0 483.480 3.897 40 5 biogenic JHBBRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000008898494 554789105 /nfs/dbraw/zinc/78/91/05/554789105.db2.gz ODOFDEDSALQLNW-KRWDZBQOSA-N 0 0 483.594 3.937 40 5 JHBBRN CCc1cc(I)ccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008900721 554793391 /nfs/dbraw/zinc/79/33/91/554793391.db2.gz FMHFSCPGDDUXGH-UHFFFAOYSA-N 0 0 481.290 3.851 40 5 JHBBRN CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013504130 555462806 /nfs/dbraw/zinc/46/28/06/555462806.db2.gz WLHDZTSIZYWZKM-JOCHJYFZSA-N 0 0 465.558 3.647 40 5 JHBBRN COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)cc1OC ZINC000019856517 555516005 /nfs/dbraw/zinc/51/60/05/555516005.db2.gz NTRSNMGFIMIZGK-UHFFFAOYSA-N 0 0 485.518 3.754 40 5 JHBBRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000020009106 555584160 /nfs/dbraw/zinc/58/41/60/555584160.db2.gz BGMGCHCNMOFSBG-OAQYLSRUSA-N 0 0 483.546 3.749 40 5 JHBBRN CCOc1ccc(C(=O)Nc2cc(-c3nn4c(CC)nnc4s3)ccc2OC)cc1[N+](=O)[O-] ZINC000010010237 555592191 /nfs/dbraw/zinc/59/21/91/555592191.db2.gz YTMJBEFRWHQRSL-UHFFFAOYSA-N 0 0 468.495 3.983 40 5 JHBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013803880 555622144 /nfs/dbraw/zinc/62/21/44/555622144.db2.gz QQHOFMDTDRGQOR-FKBYEOEOSA-N 0 0 474.429 3.550 40 5 JHBBRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 ZINC000010440944 555710802 /nfs/dbraw/zinc/71/08/02/555710802.db2.gz ZOWQBSYDMSBMIT-UHFFFAOYSA-N 0 0 483.502 3.606 40 5 JHBBRN CCOc1ccc2nc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000014274421 555776531 /nfs/dbraw/zinc/77/65/31/555776531.db2.gz ROUPZIKZIQRRLT-UHFFFAOYSA-N 0 0 487.563 3.567 40 5 JHBBRN CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000014276698 555784136 /nfs/dbraw/zinc/78/41/36/555784136.db2.gz BTMXMGWMQHBVQN-UHFFFAOYSA-N 0 0 489.985 3.680 40 5 JHBBRN Cc1cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Br ZINC000020410931 555788149 /nfs/dbraw/zinc/78/81/49/555788149.db2.gz OLKCLYKTZGZEBS-UHFFFAOYSA-N 0 0 479.356 3.629 40 5 JHBBRN Cc1c(NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000022231346 555890023 /nfs/dbraw/zinc/89/00/23/555890023.db2.gz ZHGZIEOEFVWBFF-UHFFFAOYSA-N 0 0 469.519 3.887 40 5 JHBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000022314102 555920673 /nfs/dbraw/zinc/92/06/73/555920673.db2.gz GCFMOMYWANIGAI-QHCPKHFHSA-N 0 0 465.531 3.984 40 5 JHBBRN COc1cc(CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C2CCCCC2)ccc1OCC(N)=O ZINC000022537486 555934134 /nfs/dbraw/zinc/93/41/34/555934134.db2.gz WAYCBTMTNJETKA-UHFFFAOYSA-N 0 0 455.511 3.751 40 5 JHBBRN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000022576373 555939083 /nfs/dbraw/zinc/93/90/83/555939083.db2.gz AOPBBSUEJOJSRU-UHFFFAOYSA-N 0 0 465.944 3.598 40 5 JHBBRN NC(=O)c1c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCC2 ZINC000016399964 556137448 /nfs/dbraw/zinc/13/74/48/556137448.db2.gz ABGXOVJUYMGPMY-UHFFFAOYSA-N 0 0 456.505 3.631 40 5 JHBBRN CC(C)c1ccc2nc3ccc(C(=O)NCCN4CCN(c5ccccc5)CC4)cn3c(=O)c2c1 ZINC000053045657 563204947 /nfs/dbraw/zinc/20/49/47/563204947.db2.gz XYYIYKRFSGVWQQ-UHFFFAOYSA-N 0 0 469.589 3.523 40 5 JHBBRN Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000057316428 569597827 /nfs/dbraw/zinc/59/78/27/569597827.db2.gz IXSIKCSVYCEKHH-UHFFFAOYSA-N 0 0 483.594 3.725 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000033668949 569630490 /nfs/dbraw/zinc/63/04/90/569630490.db2.gz PPWBRWAYUPPQTP-HNNXBMFYSA-N 0 0 498.565 3.745 40 5 JHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccccc1F ZINC000102746019 569819921 /nfs/dbraw/zinc/81/99/21/569819921.db2.gz URKJXMDFHLRMQK-XAYXJRQQSA-N 0 0 462.481 3.595 40 5 JHBBRN CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn([C@@H]4CCCC[C@H]4C)c(=O)c3cc2c1=O ZINC000040399097 569826149 /nfs/dbraw/zinc/82/61/49/569826149.db2.gz QLZRBOBXSHNIEJ-JLTOFOAXSA-N 0 0 461.522 3.660 40 5 JHBBRN CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(Cc4ccccc4Cl)c(=O)c3cc2c1=O ZINC000040399115 569826174 /nfs/dbraw/zinc/82/61/74/569826174.db2.gz LHMNDLLAMZAIIT-UHFFFAOYSA-N 0 0 489.919 3.611 40 5 JHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000105503865 569853079 /nfs/dbraw/zinc/85/30/79/569853079.db2.gz BGNMLOMACRZRAS-UHFFFAOYSA-N 0 0 496.348 3.824 40 5 JHBBRN COc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)C(C)C)cc1 ZINC000107668989 569856954 /nfs/dbraw/zinc/85/69/54/569856954.db2.gz YOCPPUYJMHODJD-FQEVSTJZSA-N 0 0 498.565 3.590 40 5 JHBBRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000113834115 569862113 /nfs/dbraw/zinc/86/21/13/569862113.db2.gz HESMBLFTIIFBJM-XKZIYDEJSA-N 0 0 459.483 3.953 40 5 JHBBRN Cc1c(O[C@H](C)C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)ccc2c3ccccc3c(=O)oc12 ZINC000137961529 569865551 /nfs/dbraw/zinc/86/55/51/569865551.db2.gz GXTFVQZVTBUXLF-CEXWTWQISA-N 0 0 470.525 3.830 40 5 JHBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(Br)c(Cl)c1 ZINC000138904971 569866650 /nfs/dbraw/zinc/86/66/50/569866650.db2.gz CODHWCCUTXCWLH-NSHDSACASA-N 0 0 496.701 3.546 40 5 JHBBRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222451350 569884404 /nfs/dbraw/zinc/88/44/04/569884404.db2.gz DLLNCAWAYAZQIP-HXUWFJFHSA-N 0 0 457.527 3.623 40 5 JHBBRN CC[C@@H](C(=O)NCc1cccc2ccccc21)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222886489 569893629 /nfs/dbraw/zinc/89/36/29/569893629.db2.gz WWVZWZPAOIIAPR-FQEVSTJZSA-N 0 0 471.535 3.618 40 5 JHBBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000223031257 569897346 /nfs/dbraw/zinc/89/73/46/569897346.db2.gz GSYBYHHAKGNJRX-SFTDATJTSA-N 0 0 454.508 3.877 40 5 JHBBRN CC[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223065722 569898323 /nfs/dbraw/zinc/89/83/23/569898323.db2.gz DVRBNIXCIZVQRJ-OAQYLSRUSA-N 0 0 459.568 3.816 40 5 JHBBRN CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 ZINC000223137485 569900752 /nfs/dbraw/zinc/90/07/52/569900752.db2.gz WPHDCMQLQRMLIA-DNVCBOLYSA-N 0 0 463.556 3.588 40 5 JHBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223172503 569901980 /nfs/dbraw/zinc/90/19/80/569901980.db2.gz HASWQIAUMAFQQR-IBGZPJMESA-N 0 0 457.527 3.704 40 5 JHBBRN CC[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223655502 569919181 /nfs/dbraw/zinc/91/91/81/569919181.db2.gz DRTKWYRSFCCKEQ-OAQYLSRUSA-N 0 0 477.583 3.632 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223710956 569920795 /nfs/dbraw/zinc/92/07/95/569920795.db2.gz UYDFEHVWQIGETB-UHFFFAOYSA-N 0 0 455.920 3.750 40 5 JHBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223734357 569921553 /nfs/dbraw/zinc/92/15/53/569921553.db2.gz AJICOEPFYXBEDL-VWLOTQADSA-N 0 0 475.545 3.922 40 5 JHBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224025875 569931064 /nfs/dbraw/zinc/93/10/64/569931064.db2.gz KLWWLOWRCRIBKY-NRFANRHFSA-N 0 0 487.553 3.715 40 5 JHBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224660972 569952591 /nfs/dbraw/zinc/95/25/91/569952591.db2.gz YUBLBRXHYXEVFC-NRFANRHFSA-N 0 0 471.554 3.870 40 5 JHBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225010169 569968968 /nfs/dbraw/zinc/96/89/68/569968968.db2.gz NDSWXGJRHLAJEC-KRWDZBQOSA-N 0 0 459.568 3.780 40 5 JHBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000408606836 569971397 /nfs/dbraw/zinc/97/13/97/569971397.db2.gz RDDCUKOBXNHILG-QPJJXVBHSA-N 0 0 453.407 3.816 40 5 JHBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225085361 569974070 /nfs/dbraw/zinc/97/40/70/569974070.db2.gz WNVJDARVTCEEHB-ZWKOTPCHSA-N 0 0 457.527 3.623 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(C)(=O)=O ZINC000408628095 569981381 /nfs/dbraw/zinc/98/13/81/569981381.db2.gz TUYWVCXRJPQCGQ-UHFFFAOYSA-N 0 0 481.836 3.680 40 5 JHBBRN CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000408639754 569988513 /nfs/dbraw/zinc/98/85/13/569988513.db2.gz YPYHAFQRERZETH-IBGZPJMESA-N 0 0 482.489 3.721 40 5 JHBBRN CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000408652059 569994701 /nfs/dbraw/zinc/99/47/01/569994701.db2.gz OCLIJGJQJKUEPF-NRFANRHFSA-N 0 0 457.442 3.910 40 5 JHBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(F)cc1 ZINC000408652987 569995249 /nfs/dbraw/zinc/99/52/49/569995249.db2.gz PJOISRWVCDQDJN-UHFFFAOYSA-N 0 0 481.823 3.924 40 5 JHBBRN CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225443159 569997041 /nfs/dbraw/zinc/99/70/41/569997041.db2.gz YAUWEIYMVJJYOX-CQSZACIVSA-N 0 0 480.384 3.754 40 5 JHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000408658134 569998725 /nfs/dbraw/zinc/99/87/25/569998725.db2.gz HSXZBOXEMYIICJ-UHFFFAOYSA-N 0 0 470.265 3.811 40 5 JHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408662888 570002020 /nfs/dbraw/zinc/00/20/20/570002020.db2.gz MXHANQOOCGOVPL-CZAAIQMYSA-N 0 0 491.500 3.541 40 5 JHBBRN 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O=C(CSc1nnc(-c2ccc(I)cc2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000009200453 554972043 /nfs/dbraw/zinc/97/20/43/554972043.db2.gz GSXTWZLVWAHHGI-UHFFFAOYSA-N 0 0 482.259 3.980 40 5 JHBBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 ZINC000009359389 555123049 /nfs/dbraw/zinc/12/30/49/555123049.db2.gz VIQVJKKMKTYCPA-NGSHPTGOSA-N 0 0 495.491 3.876 40 5 JHBBRN Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] ZINC000009973707 555574579 /nfs/dbraw/zinc/57/45/79/555574579.db2.gz PLNGRRAGJULWGC-CQSZACIVSA-N 0 0 482.356 3.705 40 5 JHBBRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000020006400 555581048 /nfs/dbraw/zinc/58/10/48/555581048.db2.gz VKESBVGKKITVCU-HXUWFJFHSA-N 0 0 489.937 3.785 40 5 JHBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013688557 555581948 /nfs/dbraw/zinc/58/19/48/555581948.db2.gz MJGOREVZWTWJBC-UHFFFAOYSA-N 0 0 458.323 3.941 40 5 JHBBRN 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CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2s1 ZINC000021595866 555853961 /nfs/dbraw/zinc/85/39/61/555853961.db2.gz YIKBMLRHEDBIBA-UHFFFAOYSA-N 0 0 455.496 3.642 40 5 JHBBRN Cc1cc2sc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nc2c(C)c1 ZINC000022707728 555944347 /nfs/dbraw/zinc/94/43/47/555944347.db2.gz TVUHAPPJENSNSW-UHFFFAOYSA-N 0 0 471.564 3.785 40 5 JHBBRN Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1Br ZINC000022715727 555947479 /nfs/dbraw/zinc/94/74/79/555947479.db2.gz MDHDWKJUBYRBED-UHFFFAOYSA-N 0 0 479.356 3.629 40 5 JHBBRN O=C(Nc1ccc(I)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022745843 555950809 /nfs/dbraw/zinc/95/08/09/555950809.db2.gz APWAPEHWNWXUSF-UHFFFAOYSA-N 0 0 487.681 3.942 40 5 JHBBRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nn12 ZINC000022751932 555953057 /nfs/dbraw/zinc/95/30/57/555953057.db2.gz QCVINODDTOOUFU-UHFFFAOYSA-N 0 0 493.549 3.721 40 5 JHBBRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000022753256 555953067 /nfs/dbraw/zinc/95/30/67/555953067.db2.gz KSWTZCPVZYHFTG-UHFFFAOYSA-N 0 0 494.529 3.897 40 5 JHBBRN CC[C@@H]1CCCCN1[C@@H](NC(=O)OCCn1c(C)ncc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000019204081 556333998 /nfs/dbraw/zinc/33/39/98/556333998.db2.gz MGQYAPQDECRUOR-TZMCWYRMSA-N 0 0 456.758 3.787 40 5 JHBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1[N+](=O)[O-] ZINC000057316415 569597762 /nfs/dbraw/zinc/59/77/62/569597762.db2.gz MTDOMCHNODGNAU-UHFFFAOYSA-N 0 0 483.594 3.725 40 5 JHBBRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 ZINC000033741930 569633185 /nfs/dbraw/zinc/63/31/85/569633185.db2.gz BZSNWYJIFBPYDG-UHFFFAOYSA-N 0 0 471.491 3.730 40 5 JHBBRN C[C@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)c3)C(=O)[C@@H]2C1 ZINC000100744496 569768543 /nfs/dbraw/zinc/76/85/43/569768543.db2.gz SNQNQZOEFKLICC-VHKYSDTDSA-N 0 0 450.447 3.560 40 5 JHBBRN O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000100979950 569778485 /nfs/dbraw/zinc/77/84/85/569778485.db2.gz VHAGPPOZUVAPNG-UHFFFAOYSA-N 0 0 451.351 3.916 40 5 JHBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000101167782 569785681 /nfs/dbraw/zinc/78/56/81/569785681.db2.gz ABYRMNMCPPHIFQ-ACRUOGEOSA-N 0 0 460.402 3.554 40 5 JHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21 ZINC000040399483 569826723 /nfs/dbraw/zinc/82/67/23/569826723.db2.gz GUFQVCVYVDAZQI-CQSZACIVSA-N 0 0 489.275 3.793 40 5 JHBBRN O=c1/c(=C\c2cccc(O)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000139636998 569867312 /nfs/dbraw/zinc/86/73/12/569867312.db2.gz VDZGEOSXEKCZEP-AQIZGWBQSA-N 0 0 481.533 3.933 40 5 JHBBRN CCOC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O ZINC000205674089 569874069 /nfs/dbraw/zinc/87/40/69/569874069.db2.gz OQCUQBGSYVJLNM-RQZCQDPDSA-N 0 0 473.419 3.895 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000222990528 569896344 /nfs/dbraw/zinc/89/63/44/569896344.db2.gz XFWUPRKLNGSEAS-KRWDZBQOSA-N 0 0 489.594 3.906 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000223896629 569926583 /nfs/dbraw/zinc/92/65/83/569926583.db2.gz DRWOJKOESCVXGL-INIZCTEOSA-N 0 0 473.501 3.597 40 5 JHBBRN Cc1ccc(C)c(OCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 ZINC000223985732 569929514 /nfs/dbraw/zinc/92/95/14/569929514.db2.gz HOPSHLUOVLVYBY-UHFFFAOYSA-N 0 0 483.546 3.602 40 5 JHBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224769428 569956844 /nfs/dbraw/zinc/95/68/44/569956844.db2.gz HZEXBSRVQWFLJL-FQEVSTJZSA-N 0 0 475.517 3.701 40 5 JHBBRN Cc1ccccc1OCCNC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000224821819 569959228 /nfs/dbraw/zinc/95/92/28/569959228.db2.gz OKXPLVDVTPIGFC-UHFFFAOYSA-N 0 0 483.546 3.678 40 5 JHBBRN CC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224890716 569961998 /nfs/dbraw/zinc/96/19/98/569961998.db2.gz VBVGVQLEIXYWMO-OAHLLOKOSA-N 0 0 491.444 3.685 40 5 JHBBRN COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224950867 569964646 /nfs/dbraw/zinc/96/46/46/569964646.db2.gz WEHNIBGNECIYDN-SFHVURJKSA-N 0 0 499.564 3.857 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225171927 569980003 /nfs/dbraw/zinc/98/00/03/569980003.db2.gz QURLSKNRLPFJPZ-KRWDZBQOSA-N 0 0 487.528 3.988 40 5 JHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3Cl)C(=O)[C@H]21 ZINC000408640051 569988751 /nfs/dbraw/zinc/98/87/51/569988751.db2.gz ADWFNAZDCJBGIP-IBZMOEQTSA-N 0 0 481.892 3.686 40 5 JHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]21 ZINC000408640688 569988989 /nfs/dbraw/zinc/98/89/89/569988989.db2.gz BMJGZYZVRZRGRQ-YMTYPPQLSA-N 0 0 481.892 3.686 40 5 JHBBRN Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)cc1 ZINC000408640925 569989069 /nfs/dbraw/zinc/98/90/69/569989069.db2.gz BQAQLMNPYXOLLV-WTNAPCKOSA-N 0 0 475.501 3.873 40 5 JHBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000408641246 569989266 /nfs/dbraw/zinc/98/92/66/569989266.db2.gz CCHDGYLAXHDUPK-CALCHBBNSA-N 0 0 469.881 3.664 40 5 JHBBRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC(C)=CC[C@@H]2C1=O ZINC000408642128 569989599 /nfs/dbraw/zinc/98/95/99/569989599.db2.gz DNMMXRDAMHHQHX-BHDDXSALSA-N 0 0 475.501 3.955 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cc(C)c(Br)c(C)c2)CC1=O ZINC000408642061 569989627 /nfs/dbraw/zinc/98/96/27/569989627.db2.gz NLSFFPNAJIEBQN-ZDUSSCGKSA-N 0 0 462.300 3.974 40 5 JHBBRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=C(C)C[C@H]2C1=O ZINC000408642131 569989635 /nfs/dbraw/zinc/98/96/35/569989635.db2.gz DNMMXRDAMHHQHX-YPAWHYETSA-N 0 0 475.501 3.955 40 5 JHBBRN Cc1cc(C)cc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)c1 ZINC000408649847 569993464 /nfs/dbraw/zinc/99/34/64/569993464.db2.gz AKZTUMFYBMNCOI-QGZVFWFLSA-N 0 0 499.479 3.971 40 5 JHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408650747 569993865 /nfs/dbraw/zinc/99/38/65/569993865.db2.gz BNSBAWVQSLEAMI-HBGVWJBISA-N 0 0 491.500 3.541 40 5 JHBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)cc1C ZINC000408653014 569995229 /nfs/dbraw/zinc/99/52/29/569995229.db2.gz PLWADEOLHKWJTM-VXKWHMMOSA-N 0 0 475.501 3.793 40 5 JHBBRN Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c(C)cc1Br ZINC000408653227 569995450 /nfs/dbraw/zinc/99/54/50/569995450.db2.gz DOSUOTSDDBJYQY-AWEZNQCLSA-N 0 0 490.310 3.509 40 5 JHBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1C ZINC000408653368 569995565 /nfs/dbraw/zinc/99/55/65/569995565.db2.gz PPSPBOPGLXULQF-OYRHEFFESA-N 0 0 463.490 3.627 40 5 JHBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408655857 569997255 /nfs/dbraw/zinc/99/72/55/569997255.db2.gz RYLDUGRGBDIXHN-IRXDYDNUSA-N 0 0 469.881 3.664 40 5 JHBBRN CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C(=O)c3ccccc3)C(=O)[C@@H]2C1 ZINC000408660211 570000165 /nfs/dbraw/zinc/00/01/65/570000165.db2.gz WMTHFCMMEOKLPX-TYCQWZJGSA-N 0 0 461.474 3.565 40 5 JHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5ccccc5C4=O)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408662054 570001448 /nfs/dbraw/zinc/00/14/48/570001448.db2.gz MKWMBWWYONONPQ-MRXNPFEDSA-N 0 0 485.452 3.662 40 5 JHBBRN O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000408662440 570001719 /nfs/dbraw/zinc/00/17/19/570001719.db2.gz IPMJSOPYSKOZJU-UHFFFAOYSA-N 0 0 484.690 3.911 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225551908 570005112 /nfs/dbraw/zinc/00/51/12/570005112.db2.gz BUIXLGLLOHHBEZ-OAHLLOKOSA-N 0 0 463.918 3.578 40 5 JHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 ZINC000408678735 570011402 /nfs/dbraw/zinc/01/14/02/570011402.db2.gz CTOHBRPWXJJANV-XWRIVVANSA-N 0 0 481.892 3.686 40 5 JHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000408678790 570011501 /nfs/dbraw/zinc/01/15/01/570011501.db2.gz DAWVORHONRVEDX-ROUUACIJSA-N 0 0 484.852 3.665 40 5 JHBBRN CCC1(CC)C[C@@H](NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c2ccccc2O1 ZINC000225832290 570023870 /nfs/dbraw/zinc/02/38/70/570023870.db2.gz DNTSRCKRYDFKDA-LJQANCHMSA-N 0 0 475.567 3.868 40 5 JHBBRN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731496 570029252 /nfs/dbraw/zinc/02/92/52/570029252.db2.gz MZIDNTXQDKEFMS-OAQYLSRUSA-N 0 0 455.467 3.764 40 5 JHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409047194 570109138 /nfs/dbraw/zinc/10/91/38/570109138.db2.gz NPURBJMQNPUQHY-NLZIUFDSSA-N 0 0 499.548 3.860 40 5 JHBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000409066094 570116365 /nfs/dbraw/zinc/11/63/65/570116365.db2.gz ALIVIHUALBTCHW-DTQASYIRSA-N 0 0 473.419 3.893 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000409130475 570139909 /nfs/dbraw/zinc/13/99/09/570139909.db2.gz HZGOGUZLIKDNPY-OAHLLOKOSA-N 0 0 498.565 3.745 40 5 JHBBRN CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409130538 570139911 /nfs/dbraw/zinc/13/99/11/570139911.db2.gz HZBPKPOQZGPVBY-UHFFFAOYSA-N 0 0 488.957 3.829 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000409137265 570142909 /nfs/dbraw/zinc/14/29/09/570142909.db2.gz WHSLQLUNQYOVMK-UHFFFAOYSA-N 0 0 473.482 3.885 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000409137735 570143138 /nfs/dbraw/zinc/14/31/38/570143138.db2.gz XFVVJMVIFKBNFN-UHFFFAOYSA-N 0 0 459.455 3.577 40 5 JHBBRN COc1ccccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409170864 570154834 /nfs/dbraw/zinc/15/48/34/570154834.db2.gz WXKSNOKWFSUCKL-LJQANCHMSA-N 0 0 484.538 3.579 40 5 JHBBRN CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260939219 570165536 /nfs/dbraw/zinc/16/55/36/570165536.db2.gz QWLHVTGYUDQILM-IIBYNOLFSA-N 0 0 489.594 3.904 40 5 JHBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409206760 570167497 /nfs/dbraw/zinc/16/74/97/570167497.db2.gz XGOFRIBOUYNREO-BKUYFWCQSA-N 0 0 493.497 3.764 40 5 JHBBRN CCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409231785 570178050 /nfs/dbraw/zinc/17/80/50/570178050.db2.gz MEYZVKFKYSECMV-CXUHLZMHSA-N 0 0 476.283 3.858 40 5 JHBBRN C[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328963444 570179560 /nfs/dbraw/zinc/17/95/60/570179560.db2.gz BNVJBMXCMJPQLI-LLVKDONJSA-N 0 0 483.834 3.984 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000409238945 570180986 /nfs/dbraw/zinc/18/09/86/570180986.db2.gz XJJZZAFLNGUFIT-UHFFFAOYSA-N 0 0 467.547 3.996 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000409244884 570183653 /nfs/dbraw/zinc/18/36/53/570183653.db2.gz KAIFKBQAHBPKNL-QGZVFWFLSA-N 0 0 469.519 3.960 40 5 JHBBRN CCOC(=O)COc1c(I)cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1OC ZINC000408541130 570191470 /nfs/dbraw/zinc/19/14/70/570191470.db2.gz BQPFWYMSGTYXCO-WAYWQWQTSA-N 0 0 488.234 3.617 40 5 JHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2O)n1 ZINC000408545228 570192825 /nfs/dbraw/zinc/19/28/25/570192825.db2.gz ZTCPGGTZSFQJRF-UHFFFAOYSA-N 0 0 464.301 3.887 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000408546161 570193183 /nfs/dbraw/zinc/19/31/83/570193183.db2.gz RBFGBOBOGAOQEY-UHFFFAOYSA-N 0 0 469.519 3.887 40 5 JHBBRN COc1cc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)ccc1[N+](=O)[O-] ZINC000408553243 570195760 /nfs/dbraw/zinc/19/57/60/570195760.db2.gz PJCUKOSTFKHHGP-UHFFFAOYSA-N 0 0 450.860 3.950 40 5 JHBBRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1C ZINC000408556418 570197381 /nfs/dbraw/zinc/19/73/81/570197381.db2.gz IHXSVGXLMHOSTM-QGZVFWFLSA-N 0 0 461.540 3.650 40 5 JHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(OCC)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000408574403 570205394 /nfs/dbraw/zinc/20/53/94/570205394.db2.gz QGUWSCVOEAFXLL-UHFFFAOYSA-N 0 0 461.902 3.786 40 5 JHBBRN COc1ccc(-c2nsc3c2ncnc3N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000001370806 194104817 /nfs/dbraw/zinc/10/48/17/194104817.db2.gz ZJDIUJJJWHQWTC-UHFFFAOYSA-N 0 0 476.518 3.633 40 5 JHBBRN Cc1nc2sc3c(c2c(N2CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC2)n1)CC[C@@H](C)C3 ZINC000001357284 194101344 /nfs/dbraw/zinc/10/13/44/194101344.db2.gz OSTGDLQRNINRHA-CQSZACIVSA-N 0 0 451.552 3.995 40 5 JHBBRN Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008833031 194487482 /nfs/dbraw/zinc/48/74/82/194487482.db2.gz NIEJUXLJTRWXTK-UHFFFAOYSA-N 0 0 479.356 3.629 40 5 JHBBRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000008898489 194490698 /nfs/dbraw/zinc/49/06/98/194490698.db2.gz ODOFDEDSALQLNW-QGZVFWFLSA-N 0 0 483.594 3.937 40 5 JHBBRN CCOc1cccc(CNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022429809 521351050 /nfs/dbraw/zinc/35/10/50/521351050.db2.gz QUTNBCVKNKMRRT-UHFFFAOYSA-N 0 0 469.519 3.505 40 5 JHBBRN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(Cn3cc([N+](=O)[O-])cn3)n2)cc1OC ZINC000022575288 523084458 /nfs/dbraw/zinc/08/44/58/523084458.db2.gz BMVVNUGAMQCPHW-UHFFFAOYSA-N 0 0 465.466 3.862 40 5 JHBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(Br)cc1 ZINC000016384033 527457819 /nfs/dbraw/zinc/45/78/19/527457819.db2.gz PBPNYPRZLRBSIK-UHFFFAOYSA-N 0 0 483.775 3.848 40 5 JHBBRN O=C(/C=C1\SC(=O)N(CC(=O)Nc2cccc3ccccc32)C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016779014 527652837 /nfs/dbraw/zinc/65/28/37/527652837.db2.gz HIWFDFPNBVVZSY-UNOMPAQXSA-N 0 0 476.470 3.905 40 5 JHBBRN CC1=C[C@@H]2[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]3[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 ZINC000102799359 535245329 /nfs/dbraw/zinc/24/53/29/535245329.db2.gz GJFQMAPHCKNEHN-YSFYHYPLSA-N 0 0 459.502 3.852 40 5 JHBBRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 ZINC000000914692 553844598 /nfs/dbraw/zinc/84/45/98/553844598.db2.gz KMWVSKDQMBIGJD-UHFFFAOYSA-N 0 0 478.530 3.839 40 5 JHBBRN O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008896189 554785705 /nfs/dbraw/zinc/78/57/05/554785705.db2.gz NZJFKOTVENPRLL-UHFFFAOYSA-N 0 0 477.546 3.544 40 5 JHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000009015811 554866003 /nfs/dbraw/zinc/86/60/03/554866003.db2.gz HNVGXGHZRLFXTL-LWSSLDFYSA-N 0 0 498.470 3.762 40 5 JHBBRN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000009209551 554978528 /nfs/dbraw/zinc/97/85/28/554978528.db2.gz JQXIKWXARFCYJB-OPXMRZJTSA-N 0 0 469.538 3.919 40 5 JHBBRN O=C1N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000009354431 555118348 /nfs/dbraw/zinc/11/83/48/555118348.db2.gz QPTLBAXNYGFGCH-BBTUJRGHSA-N 0 0 475.379 3.959 40 5 JHBBRN Cc1ccc(S(=O)(=O)N(CCOC(=O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2)cc1 ZINC000013370359 555391758 /nfs/dbraw/zinc/39/17/58/555391758.db2.gz UJGWFVPMFWDSRM-UHFFFAOYSA-N 0 0 454.504 3.951 40 5 JHBBRN Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1[N+](=O)[O-] ZINC000009702783 555427754 /nfs/dbraw/zinc/42/77/54/555427754.db2.gz IJRCPNDYWQNNMW-UHFFFAOYSA-N 0 0 465.462 3.627 40 5 JHBBRN COc1ccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000013669023 555558392 /nfs/dbraw/zinc/55/83/92/555558392.db2.gz NIRWKBUQQVXFTH-UHFFFAOYSA-N 0 0 469.519 3.770 40 5 JHBBRN Cc1c(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cccc1[N+](=O)[O-] ZINC000013677747 555568552 /nfs/dbraw/zinc/56/85/52/555568552.db2.gz DVQNQKIQQNBQJB-QFIPXVFZSA-N 0 0 467.503 3.639 40 5 JHBBRN Cc1c(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000020008185 555582716 /nfs/dbraw/zinc/58/27/16/555582716.db2.gz XMCMIYIZNGRSAZ-FQEVSTJZSA-N 0 0 457.483 3.571 40 5 JHBBRN Cc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Br ZINC000014274431 555776517 /nfs/dbraw/zinc/77/65/17/555776517.db2.gz NFCVDLUAVJIQIK-UHFFFAOYSA-N 0 0 479.356 3.629 40 5 JHBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014275253 555780141 /nfs/dbraw/zinc/78/01/41/555780141.db2.gz JDMOZYBLKXWWTL-UHFFFAOYSA-N 0 0 494.327 3.993 40 5 JHBBRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000020410948 555788101 /nfs/dbraw/zinc/78/81/01/555788101.db2.gz AIPOLZPZSCNVME-UHFFFAOYSA-N 0 0 458.540 3.737 40 5 JHBBRN O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022536057 555933579 /nfs/dbraw/zinc/93/35/79/555933579.db2.gz GQIAYRJYAMKHNR-UHFFFAOYSA-N 0 0 454.430 3.577 40 5 JHBBRN O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022705687 555943235 /nfs/dbraw/zinc/94/32/35/555943235.db2.gz AHKUHASIXLTWDN-UHFFFAOYSA-N 0 0 469.567 3.549 40 5 JHBBRN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022751535 555952673 /nfs/dbraw/zinc/95/26/73/555952673.db2.gz CWBQXWOUKIQDSN-UHFFFAOYSA-N 0 0 493.383 3.938 40 5 JHBBRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 ZINC000012485348 555987362 /nfs/dbraw/zinc/98/73/62/555987362.db2.gz KWCOKRBMVKCXAZ-UHFFFAOYSA-N 0 0 472.435 3.565 40 5 JHBBRN COc1cccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)c1 ZINC000017227483 556243100 /nfs/dbraw/zinc/24/31/00/556243100.db2.gz LRMPRNDOTHLUDD-UHFFFAOYSA-N 0 0 450.860 3.950 40 5 JHBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000018156866 556295780 /nfs/dbraw/zinc/29/57/80/556295780.db2.gz IIKLQEGSDUZIGC-SGNDLWITSA-N 0 0 489.484 3.972 40 5 JHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F ZINC000032101273 556416699 /nfs/dbraw/zinc/41/66/99/556416699.db2.gz DPZORPIPJSBAQI-MRXNPFEDSA-N 0 0 458.190 3.858 40 5 JHBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000032124752 556427869 /nfs/dbraw/zinc/42/78/69/556427869.db2.gz QOKAMNZIJSIWHR-UNOMPAQXSA-N 0 0 487.559 3.917 40 5 JHBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000032125037 556428628 /nfs/dbraw/zinc/42/86/28/556428628.db2.gz KHYSIIDYZXGTJP-ODLFYWEKSA-N 0 0 487.559 3.971 40 5 JHBBRN COc1ccc(OC)c(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccccc2)c1 ZINC000035375647 569684613 /nfs/dbraw/zinc/68/46/13/569684613.db2.gz CPAILXVORWOKGL-UHFFFAOYSA-N 0 0 499.545 3.750 40 5 JHBBRN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1ccccc1 ZINC000035851987 569716793 /nfs/dbraw/zinc/71/67/93/569716793.db2.gz RDBXRFOLKKAKLB-CJRSTVEYSA-N 0 0 465.465 3.993 40 5 JHBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101098107 569782424 /nfs/dbraw/zinc/78/24/24/569782424.db2.gz HTCXICINKGOFAI-HJOGWXRNSA-N 0 0 489.484 3.972 40 5 JHBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000101209081 569787188 /nfs/dbraw/zinc/78/71/88/569787188.db2.gz BNEXLFTYXKUVTR-HBMCJLEFSA-N 0 0 478.392 3.693 40 5 JHBBRN O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[nH]c(=O)c21 ZINC000040399555 569826821 /nfs/dbraw/zinc/82/68/21/569826821.db2.gz KNPVOSANCUEYTG-SNVBAGLBSA-N 0 0 489.275 3.793 40 5 JHBBRN CC[C@H](C)N1C(=O)[C@H]2[C@H]3C=C(C)c4ccccc4N3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000103461046 569835256 /nfs/dbraw/zinc/83/52/56/569835256.db2.gz QLOIBOOOXUQHLZ-FQRRRRRDSA-N 0 0 459.502 3.852 40 5 JHBBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 ZINC000103909560 569838987 /nfs/dbraw/zinc/83/89/87/569838987.db2.gz VIQVJKKMKTYCPA-ZKGSSEMHSA-N 0 0 495.491 3.876 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000103995486 569839761 /nfs/dbraw/zinc/83/97/61/569839761.db2.gz REYINSAEJLLHPS-FNAHDJPLSA-N 0 0 475.501 3.734 40 5 JHBBRN Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000107960600 569858125 /nfs/dbraw/zinc/85/81/25/569858125.db2.gz VTERLZMBUKJFRF-CYBMUJFWSA-N 0 0 488.957 3.907 40 5 JHBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCCC4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000205798120 569874402 /nfs/dbraw/zinc/87/44/02/569874402.db2.gz UCKOJCMQUUJLJU-XDHOZWIPSA-N 0 0 471.491 3.912 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000222857316 569892856 /nfs/dbraw/zinc/89/28/56/569892856.db2.gz UUXIUABWCRKWAC-HNNXBMFYSA-N 0 0 477.945 3.968 40 5 JHBBRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222988441 569896279 /nfs/dbraw/zinc/89/62/79/569896279.db2.gz RSXIMYHDXDGUET-AOMKIAJQSA-N 0 0 459.568 3.896 40 5 JHBBRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223238620 569904572 /nfs/dbraw/zinc/90/45/72/569904572.db2.gz QOKOFAZVBJNKSV-MGPUTAFESA-N 0 0 475.567 3.514 40 5 JHBBRN COc1cc(C)c([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C(C)C ZINC000223358480 569908556 /nfs/dbraw/zinc/90/85/56/569908556.db2.gz WBPUTCFFSOBAEF-KRWDZBQOSA-N 0 0 477.583 3.987 40 5 JHBBRN CC[C@@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223655444 569919140 /nfs/dbraw/zinc/91/91/40/569919140.db2.gz DRTKWYRSFCCKEQ-NRFANRHFSA-N 0 0 477.583 3.632 40 5 JHBBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223667803 569919475 /nfs/dbraw/zinc/91/94/75/569919475.db2.gz IJKYVRDEPLCOPT-LEWJYISDSA-N 0 0 452.492 3.785 40 5 JHBBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000223674901 569919682 /nfs/dbraw/zinc/91/96/82/569919682.db2.gz FRRWCLSVPFGMLI-LEWJYISDSA-N 0 0 452.492 3.785 40 5 JHBBRN Cc1cccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1C ZINC000223905573 569926808 /nfs/dbraw/zinc/92/68/08/569926808.db2.gz KTBAHEKHQJMKJV-UHFFFAOYSA-N 0 0 483.546 3.602 40 5 JHBBRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224069156 569932366 /nfs/dbraw/zinc/93/23/66/569932366.db2.gz DDOXJRWIYVILRH-OAQYLSRUSA-N 0 0 471.554 3.748 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000224237818 569937609 /nfs/dbraw/zinc/93/76/09/569937609.db2.gz PGLBQKLIXSHMCT-INIZCTEOSA-N 0 0 477.945 3.825 40 5 JHBBRN CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224807500 569958454 /nfs/dbraw/zinc/95/84/54/569958454.db2.gz GLEAIPQXCAUYMK-HNNXBMFYSA-N 0 0 463.918 3.579 40 5 JHBBRN Cc1c(N(Cc2ccc(C(=O)NCCOc3ccccc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224862645 569960618 /nfs/dbraw/zinc/96/06/18/569960618.db2.gz QESFVCKIGAMBQJ-UHFFFAOYSA-N 0 0 483.546 3.678 40 5 JHBBRN C[C@@H](CNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000224936063 569964056 /nfs/dbraw/zinc/96/40/56/569964056.db2.gz WIPIMMXSVKCXHQ-HNNXBMFYSA-N 0 0 453.948 3.714 40 5 JHBBRN C[C@H](CNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000224936102 569964071 /nfs/dbraw/zinc/96/40/71/569964071.db2.gz WIPIMMXSVKCXHQ-OAHLLOKOSA-N 0 0 453.948 3.714 40 5 JHBBRN CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000224935708 569964081 /nfs/dbraw/zinc/96/40/81/569964081.db2.gz 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O=C(NCCc1ccccc1)c1cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2oc1=O ZINC000002887472 554407048 /nfs/dbraw/zinc/40/70/48/554407048.db2.gz NTUZKYMQANBLJR-UHFFFAOYSA-N 0 0 458.426 3.893 40 5 JHBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nn12 ZINC000008831542 554722722 /nfs/dbraw/zinc/72/27/22/554722722.db2.gz MLYDLDFTAAFDMO-UHFFFAOYSA-N 0 0 467.536 3.813 40 5 JHBBRN COc1ccc([C@@H]2C(=C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1 ZINC000008974808 554846293 /nfs/dbraw/zinc/84/62/93/554846293.db2.gz OGWHSRIFGMCRDG-JBXUNAHCSA-N 0 0 467.485 3.793 40 5 JHBBRN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 ZINC000009359387 555123045 /nfs/dbraw/zinc/12/30/45/555123045.db2.gz VIQVJKKMKTYCPA-ZGFBMJKBSA-N 0 0 495.491 3.876 40 5 JHBBRN COc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013503906 555462202 /nfs/dbraw/zinc/46/22/02/555462202.db2.gz QMPVUIYHKLMGLI-HSZRJFAPSA-N 0 0 463.542 3.617 40 5 JHBBRN COc1ccccc1OCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000019928508 555544378 /nfs/dbraw/zinc/54/43/78/555544378.db2.gz XYOJZWDEBIWKAK-UHFFFAOYSA-N 0 0 450.860 3.950 40 5 JHBBRN COc1ccc([C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936115 555554038 /nfs/dbraw/zinc/55/40/38/555554038.db2.gz HAEWSDZOZRHBMC-QFIPXVFZSA-N 0 0 469.519 3.994 40 5 JHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013678611 555570018 /nfs/dbraw/zinc/57/00/18/555570018.db2.gz HIAYSZWVDKZACV-FQEVSTJZSA-N 0 0 473.894 3.843 40 5 JHBBRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000020009093 555584236 /nfs/dbraw/zinc/58/42/36/555584236.db2.gz SRPMXITUKZTIOH-QFIPXVFZSA-N 0 0 483.546 3.749 40 5 JHBBRN Cc1ccc([C@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020049346 555618835 /nfs/dbraw/zinc/61/88/35/555618835.db2.gz CCUQAPFCQZPKHO-HSZRJFAPSA-N 0 0 453.520 3.575 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010360867 555696713 /nfs/dbraw/zinc/69/67/13/555696713.db2.gz CNNHULQYWOYJDK-UHFFFAOYSA-N 0 0 473.482 3.961 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000014135624 555703805 /nfs/dbraw/zinc/70/38/05/555703805.db2.gz SBADUNIQXJDBBW-UHFFFAOYSA-N 0 0 457.483 3.872 40 5 JHBBRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 ZINC000010444452 555712410 /nfs/dbraw/zinc/71/24/10/555712410.db2.gz IAZDYNIPCMDGEI-UHFFFAOYSA-N 0 0 497.529 3.914 40 5 JHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000014271919 555768219 /nfs/dbraw/zinc/76/82/19/555768219.db2.gz PQBMGHVOLVQFFO-JXMROGBWSA-N 0 0 465.510 3.855 40 5 JHBBRN O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cccc(OC(F)(F)F)c3)n2)c1 ZINC000015674885 555933221 /nfs/dbraw/zinc/93/32/21/555933221.db2.gz NXJDNYIEGHUXBK-WBVHZDCISA-N 0 0 450.373 3.851 40 5 biogenic,in-vitro JHBBRN O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022537296 555933893 /nfs/dbraw/zinc/93/38/93/555933893.db2.gz PWSQVPZBPOCLHX-UHFFFAOYSA-N 0 0 455.323 3.865 40 5 JHBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(I)cc1 ZINC000022741471 555949521 /nfs/dbraw/zinc/94/95/21/555949521.db2.gz NOJCQANLDFPQRM-UHFFFAOYSA-N 0 0 484.300 3.936 40 5 JHBBRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022821201 555955377 /nfs/dbraw/zinc/95/53/77/555955377.db2.gz PPAGGKLNTZGYET-UHFFFAOYSA-N 0 0 499.774 3.974 40 5 JHBBRN COc1cc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000018207972 556310175 /nfs/dbraw/zinc/31/01/75/556310175.db2.gz GOQVYQHWNBCKBV-SGNDLWITSA-N 0 0 489.484 3.659 40 5 JHBBRN O=C1[C@@H]2[C@H](c3ccc(Br)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000019171532 556333289 /nfs/dbraw/zinc/33/32/89/556333289.db2.gz BYKKAIQZBYCVGK-SQNIBIBYSA-N 0 0 491.729 3.546 40 5 JHBBRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000035315458 569680561 /nfs/dbraw/zinc/68/05/61/569680561.db2.gz BXTHTOJMRUQWML-UHFFFAOYSA-N 0 0 483.546 3.784 40 5 JHBBRN COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000101075492 569781500 /nfs/dbraw/zinc/78/15/00/569781500.db2.gz OHQNDLZFMYZILX-VABKMULXSA-N 0 0 475.457 3.663 40 5 JHBBRN O=C(Nc1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000103560670 569836234 /nfs/dbraw/zinc/83/62/34/569836234.db2.gz VXNPWLSUMVHERL-XQUALCHDSA-N 0 0 480.480 3.749 40 5 JHBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCSc1ccccc1 ZINC000044802866 569839229 /nfs/dbraw/zinc/83/92/29/569839229.db2.gz GQNGLWRBIZXVTM-UHFFFAOYSA-N 0 0 471.560 3.699 40 5 JHBBRN CC1CCN(C(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000107706328 569857082 /nfs/dbraw/zinc/85/70/82/569857082.db2.gz MTNWRWUTXIKBRU-UYRXBGFRSA-N 0 0 454.508 3.680 40 5 JHBBRN COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O ZINC000205766413 569874310 /nfs/dbraw/zinc/87/43/10/569874310.db2.gz XNGZIRYBXDMCEY-VGOFMYFVSA-N 0 0 467.253 3.827 40 5 JHBBRN COc1ccc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000216234953 569877908 /nfs/dbraw/zinc/87/79/08/569877908.db2.gz VKOFIENHJASQEI-UHFFFAOYSA-N 0 0 475.567 3.898 40 5 JHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000216317748 569878336 /nfs/dbraw/zinc/87/83/36/569878336.db2.gz IDJWISVSEVKGGE-UHFFFAOYSA-N 0 0 482.356 3.538 40 5 JHBBRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222614673 569886992 /nfs/dbraw/zinc/88/69/92/569886992.db2.gz PUGKRANOMBHWOJ-RXVVDRJESA-N 0 0 471.554 3.747 40 5 JHBBRN CC[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222810123 569891667 /nfs/dbraw/zinc/89/16/67/569891667.db2.gz PSFFPAYKFIQQGV-NRFANRHFSA-N 0 0 455.536 3.917 40 5 JHBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCc1ccc(Cl)cc1 ZINC000223527191 569914569 /nfs/dbraw/zinc/91/45/69/569914569.db2.gz YVVPTSFAIOVSLY-UHFFFAOYSA-N 0 0 473.938 3.802 40 5 JHBBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223667847 569919449 /nfs/dbraw/zinc/91/94/49/569919449.db2.gz IJKYVRDEPLCOPT-NHCUHLMSSA-N 0 0 452.492 3.785 40 5 JHBBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223667697 569919466 /nfs/dbraw/zinc/91/94/66/569919466.db2.gz IJKYVRDEPLCOPT-SFTDATJTSA-N 0 0 452.492 3.785 40 5 JHBBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000223675027 569919656 /nfs/dbraw/zinc/91/96/56/569919656.db2.gz LMXLVSQZOJUPDV-SFTDATJTSA-N 0 0 452.492 3.785 40 5 JHBBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000223674809 569919669 /nfs/dbraw/zinc/91/96/69/569919669.db2.gz FRRWCLSVPFGMLI-SFTDATJTSA-N 0 0 452.492 3.785 40 5 JHBBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000223709105 569920732 /nfs/dbraw/zinc/92/07/32/569920732.db2.gz SUZPFMCZEQNMCO-RTWAWAEBSA-N 0 0 452.492 3.785 40 5 JHBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223891190 569926410 /nfs/dbraw/zinc/92/64/10/569926410.db2.gz XYBZZWCAPMXKFW-OAHLLOKOSA-N 0 0 462.344 3.843 40 5 JHBBRN CC[C@H](C(=O)NCCOc1ccc(C)c(Cl)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224178033 569935428 /nfs/dbraw/zinc/93/54/28/569935428.db2.gz AKYCPJDDHYBRCJ-LJQANCHMSA-N 0 0 483.974 3.605 40 5 JHBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224842310 569959951 /nfs/dbraw/zinc/95/99/51/569959951.db2.gz XVGDIUMSXPFURM-OAHLLOKOSA-N 0 0 463.918 3.579 40 5 JHBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000408603362 569969849 /nfs/dbraw/zinc/96/98/49/569969849.db2.gz GCGKNCPXNFBUGN-ONNFQVAWSA-N 0 0 454.395 3.996 40 5 JHBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000408640176 569988745 /nfs/dbraw/zinc/98/87/45/569988745.db2.gz AOSUTNXYMDIUGK-UHFFFAOYSA-N 0 0 463.833 3.785 40 5 JHBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC[C@@H](C)C[C@@H]3C2=O)cc1C ZINC000408641622 569989424 /nfs/dbraw/zinc/98/94/24/569989424.db2.gz CVMMUDTXEKZQHD-RTOPAQNCSA-N 0 0 477.517 3.873 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cc(C)c(Br)cc2C)CC1=O ZINC000408645315 569991385 /nfs/dbraw/zinc/99/13/85/569991385.db2.gz UPZYUHLLEHUBAI-CYBMUJFWSA-N 0 0 462.300 3.974 40 5 JHBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 ZINC000408650352 569993620 /nfs/dbraw/zinc/99/36/20/569993620.db2.gz MJBXWMYIIFZEII-PKOBYXMFSA-N 0 0 481.892 3.830 40 5 JHBBRN Cc1cc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000408651524 569994416 /nfs/dbraw/zinc/99/44/16/569994416.db2.gz CMTWIBKURARMRL-XFJUBTJUSA-N 0 0 451.431 3.619 40 5 JHBBRN CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225471631 569998352 /nfs/dbraw/zinc/99/83/52/569998352.db2.gz HFGSHAJLPZJFEG-CQSZACIVSA-N 0 0 480.384 3.754 40 5 JHBBRN Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408662895 570002034 /nfs/dbraw/zinc/00/20/34/570002034.db2.gz MXHANQOOCGOVPL-ORYQWCPZSA-N 0 0 491.500 3.541 40 5 JHBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000225550688 570005006 /nfs/dbraw/zinc/00/50/06/570005006.db2.gz CCODRTDHUHVPQL-GFCCVEGCSA-N 0 0 458.323 3.941 40 5 JHBBRN CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000408668519 570006023 /nfs/dbraw/zinc/00/60/23/570006023.db2.gz LXEAJYTYFHIGKD-SFHVURJKSA-N 0 0 453.495 3.563 40 5 JHBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3C)CC2=O)cc1[N+](=O)[O-] ZINC000408669232 570006402 /nfs/dbraw/zinc/00/64/02/570006402.db2.gz NPKBMEKJUQQJEB-AWEZNQCLSA-N 0 0 490.310 3.509 40 5 JHBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408673039 570008540 /nfs/dbraw/zinc/00/85/40/570008540.db2.gz YCBDXTGEFABPOR-CQSZACIVSA-N 0 0 490.310 3.509 40 5 JHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000408689659 570014961 /nfs/dbraw/zinc/01/49/61/570014961.db2.gz YTMOUVQDYHZSKC-CALCHBBNSA-N 0 0 484.306 3.866 40 5 JHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408689832 570015005 /nfs/dbraw/zinc/01/50/05/570015005.db2.gz ZFESDCIZYSQMDU-HDICACEKSA-N 0 0 486.868 3.889 40 5 JHBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000408737723 570030862 /nfs/dbraw/zinc/03/08/62/570030862.db2.gz OEOHBHPDOUNKCS-GOSISDBHSA-N 0 0 466.475 3.985 40 5 JHBBRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c1 ZINC000408924542 570078171 /nfs/dbraw/zinc/07/81/71/570078171.db2.gz JTNFPLGBNMRNOF-UHFFFAOYSA-N 0 0 456.436 3.865 40 5 JHBBRN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)[C@H]1C=CC=C(OC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000408927314 570078754 /nfs/dbraw/zinc/07/87/54/570078754.db2.gz VZVYMEFJWHEQRM-AWEZNQCLSA-N 0 0 451.439 3.518 40 5 JHBBRN CCOC(=O)N1CCN(C(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)CC1 ZINC000408975072 570089542 /nfs/dbraw/zinc/08/95/42/570089542.db2.gz JOKBQHQGZYPRCG-UHFFFAOYSA-N 0 0 466.501 3.794 40 5 JHBBRN COc1ccc(NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000408977488 570090271 /nfs/dbraw/zinc/09/02/71/570090271.db2.gz DSTFIQWQMZPEJI-FQEVSTJZSA-N 0 0 469.519 3.960 40 5 JHBBRN Cn1c(=O)c2c(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c3c(nc2n(C)c1=O)-c1ccccc1[C@H]3O ZINC000408990066 570093648 /nfs/dbraw/zinc/09/36/48/570093648.db2.gz VDSWOWCBWCWADP-HSZRJFAPSA-N 0 0 482.452 3.530 40 5 JHBBRN CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409132907 570141044 /nfs/dbraw/zinc/14/10/44/570141044.db2.gz KXLJOWWUOLTQHC-NRFANRHFSA-N 0 0 496.593 3.742 40 5 JHBBRN CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1 ZINC000409136776 570142620 /nfs/dbraw/zinc/14/26/20/570142620.db2.gz ZLBCPYZFIWOIAP-UHFFFAOYSA-N 0 0 455.496 3.686 40 5 JHBBRN COc1cccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1 ZINC000409154860 570150199 /nfs/dbraw/zinc/15/01/99/570150199.db2.gz KSRZTDMUYSBXEP-LJQANCHMSA-N 0 0 484.538 3.579 40 5 JHBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccccc2F)n[nH]1 ZINC000409160645 570151886 /nfs/dbraw/zinc/15/18/86/570151886.db2.gz VIVPAEGXWXFMRS-SFHVURJKSA-N 0 0 472.502 3.710 40 5 JHBBRN O=C(CN1C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1F ZINC000409217904 570173381 /nfs/dbraw/zinc/17/33/81/570173381.db2.gz RMFIUBASWVGONS-WOJGMQOQSA-N 0 0 450.382 3.525 40 5 JHBBRN Cc1c(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000409261574 570187685 /nfs/dbraw/zinc/18/76/85/570187685.db2.gz DTLLAJRUMPYFKJ-UHFFFAOYSA-N 0 0 470.463 3.645 40 5 JHBBRN CCn1c2cc(Br)c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2n(CC)c1=O ZINC000408536409 570190428 /nfs/dbraw/zinc/19/04/28/570190428.db2.gz WLDQWIZBZZHHPG-UHFFFAOYSA-N 0 0 478.259 3.674 40 5 JHBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000408552647 570195514 /nfs/dbraw/zinc/19/55/14/570195514.db2.gz MJIHCUOXWBMEOX-KRWDZBQOSA-N 0 0 469.519 3.960 40 5 JHBBRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1C ZINC000408556815 570197622 /nfs/dbraw/zinc/19/76/22/570197622.db2.gz JZZZGDUGTORSQV-KRWDZBQOSA-N 0 0 461.540 3.650 40 5 JHBBRN CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000409315517 570200093 /nfs/dbraw/zinc/20/00/93/570200093.db2.gz VXFUAUASNLOIAD-UHFFFAOYSA-N 0 0 496.545 3.569 40 5 JHBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1cccc(F)c1 ZINC000408565392 570203317 /nfs/dbraw/zinc/20/33/17/570203317.db2.gz KGJMDEKBABPRQW-VFHOHQAYSA-N 0 0 477.492 3.935 40 5 JHBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OC ZINC000408569696 570204455 /nfs/dbraw/zinc/20/44/55/570204455.db2.gz XABLNNCRZMLGFU-ZMUPPCTCSA-N 0 0 488.338 3.521 40 5 JHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(C(C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408572540 570204955 /nfs/dbraw/zinc/20/49/55/570204955.db2.gz JOGPYABSVHRMMY-UHFFFAOYSA-N 0 0 484.578 3.732 40 5 JHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(C)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000408576894 570206031 /nfs/dbraw/zinc/20/60/31/570206031.db2.gz YPLFKZDHMUVPGH-UHFFFAOYSA-N 0 0 490.969 3.570 40 5 JHBBRN COc1ccc(-c2nsc3c2ncnc3N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000001370807 194104885 /nfs/dbraw/zinc/10/48/85/194104885.db2.gz RUJHQSVSIFWEEZ-UHFFFAOYSA-N 0 0 476.518 3.633 40 5 JHBBRN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003845969 194364294 /nfs/dbraw/zinc/36/42/94/194364294.db2.gz WQVGQOIEYQJWRB-FIXDAVPBSA-N 0 0 466.494 3.856 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000224843863 195466012 /nfs/dbraw/zinc/46/60/12/195466012.db2.gz MQEZBDVGZXFESI-KRWDZBQOSA-N 0 0 487.528 3.988 40 5 JHBBRN CC[C@H](C)NC(=O)COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1c3ccc(OC)c1OC ZINC000008792182 523974662 /nfs/dbraw/zinc/97/46/62/523974662.db2.gz QFKROVVZMIOOSL-AWEZNQCLSA-N 0 0 459.502 3.903 40 5 biogenic JHBBRN COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000006136532 524514048 /nfs/dbraw/zinc/51/40/48/524514048.db2.gz GQTSEWSTMUABFH-UHFFFAOYSA-N 0 0 462.491 3.977 40 5 JHBBRN O=C(c1ccccn1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000020519109 526817398 /nfs/dbraw/zinc/81/73/98/526817398.db2.gz VRLKJAQZVVFGMN-IYXIZZNPSA-N 0 0 490.516 3.948 40 5 JHBBRN O=[N+]([O-])c1ccc(S(=O)(=O)NN=C2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)N2)cc1 ZINC000016478508 527376946 /nfs/dbraw/zinc/37/69/46/527376946.db2.gz GBILZUKMAUEVDF-LJQANCHMSA-N 0 0 457.899 3.602 40 5 JHBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000044848467 527387994 /nfs/dbraw/zinc/38/79/94/527387994.db2.gz KXCIPHPRDSJINT-UHFFFAOYSA-N 0 0 451.548 3.832 40 5 JHBBRN C[C@@H](Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)C(=O)NCCCn1ccnc1 ZINC000008791881 554685184 /nfs/dbraw/zinc/68/51/84/554685184.db2.gz QGJUMQHGJBZMCT-QGZVFWFLSA-N 0 0 465.513 3.762 40 5 biogenic JHBBRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc21 ZINC000008831100 554721231 /nfs/dbraw/zinc/72/12/31/554721231.db2.gz BYAJXZKTKRKHLU-UHFFFAOYSA-N 0 0 471.564 3.785 40 5 JHBBRN O=C(c1ccco1)N1CCN(C(=O)c2cc3c4ccccc4n4c3c(n2)c2ccccc2c4=O)CC1 ZINC000008877879 554773299 /nfs/dbraw/zinc/77/32/99/554773299.db2.gz CJFVMVCLJZICAF-UHFFFAOYSA-N 0 0 476.492 3.783 40 5 biogenic JHBBRN CC1=C[C@@H]2[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 ZINC000009303927 555077445 /nfs/dbraw/zinc/07/74/45/555077445.db2.gz GJFQMAPHCKNEHN-YUMYIRISSA-N 0 0 459.502 3.852 40 5 JHBBRN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000009312464 555088851 /nfs/dbraw/zinc/08/88/51/555088851.db2.gz BAWJXRHKMDLBLH-KIHHCIJBSA-N 0 0 471.513 3.996 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000019869067 555523573 /nfs/dbraw/zinc/52/35/73/555523573.db2.gz GXNSOJIHFKOTEH-UHFFFAOYSA-N 0 0 457.439 3.557 40 5 JHBBRN Cc1ccc(CCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000013646889 555551379 /nfs/dbraw/zinc/55/13/79/555551379.db2.gz LLQZKGSJEVXQFL-UHFFFAOYSA-N 0 0 467.547 3.848 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000013672696 555564299 /nfs/dbraw/zinc/56/42/99/555564299.db2.gz RRZALTGSKWEIMR-OAHLLOKOSA-N 0 0 463.556 3.544 40 5 JHBBRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000020006397 555581004 /nfs/dbraw/zinc/58/10/04/555581004.db2.gz VKESBVGKKITVCU-FQEVSTJZSA-N 0 0 489.937 3.785 40 5 JHBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nn12 ZINC000010010300 555592258 /nfs/dbraw/zinc/59/22/58/555592258.db2.gz XNOWHWTYRBCCIR-JXMROGBWSA-N 0 0 450.480 3.984 40 5 JHBBRN CCOc1ccccc1CCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000010110907 555621199 /nfs/dbraw/zinc/62/11/99/555621199.db2.gz JTUYPQHVOBZIML-UHFFFAOYSA-N 0 0 497.573 3.938 40 5 JHBBRN O=[N+]([O-])c1ccc(N2CCN([C@@H](c3cccs3)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 ZINC000020098373 555632880 /nfs/dbraw/zinc/63/28/80/555632880.db2.gz MJBZWXZDCSIZJC-QFIPXVFZSA-N 0 0 479.541 3.742 40 5 JHBBRN O=c1[nH]nc(-c2cccc([N+](=O)[O-])c2)c2c1Nc1nnnn1[C@@H]2c1ccc(Cl)cc1Cl ZINC000010296679 555675736 /nfs/dbraw/zinc/67/57/36/555675736.db2.gz PAHJYPYIARFWFD-MRXNPFEDSA-N 0 0 457.237 3.745 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC(c1ccccc1)c1ccccc1)S(C)(=O)=O ZINC000010334543 555689804 /nfs/dbraw/zinc/68/98/04/555689804.db2.gz DTOYXWXJWOVHFB-UHFFFAOYSA-N 0 0 453.520 3.575 40 5 JHBBRN CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000014152667 555708445 /nfs/dbraw/zinc/70/84/45/555708445.db2.gz ORHLHNFXPVONHX-UHFFFAOYSA-N 0 0 461.475 3.664 40 5 JHBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC000014273448 555773354 /nfs/dbraw/zinc/77/33/54/555773354.db2.gz BEGWOPNVAODGRF-UHFFFAOYSA-N 0 0 460.918 3.714 40 5 JHBBRN NC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000014274384 555776523 /nfs/dbraw/zinc/77/65/23/555776523.db2.gz IQHQDINIJUXXAN-UHFFFAOYSA-N 0 0 487.607 3.751 40 5 JHBBRN O=C(NC(=S)Nc1nc2c(cccc2Cl)s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014275640 555781402 /nfs/dbraw/zinc/78/14/02/555781402.db2.gz FMSGVICFYAQQKY-UHFFFAOYSA-N 0 0 477.955 3.821 40 5 JHBBRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000014276217 555783106 /nfs/dbraw/zinc/78/31/06/555783106.db2.gz JMGRPJNWHNTWMM-UHFFFAOYSA-N 0 0 485.566 3.687 40 5 JHBBRN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000022278316 555916221 /nfs/dbraw/zinc/91/62/21/555916221.db2.gz SKNWRYYATRPWNH-UHFFFAOYSA-N 0 0 483.502 3.606 40 5 JHBBRN CCN(CC)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)c1 ZINC000022707751 555944250 /nfs/dbraw/zinc/94/42/50/555944250.db2.gz ABFSSNIJAJVSOW-UHFFFAOYSA-N 0 0 471.583 3.713 40 5 JHBBRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nc21 ZINC000022707725 555944287 /nfs/dbraw/zinc/94/42/87/555944287.db2.gz IZFJRCBPDJSYBC-UHFFFAOYSA-N 0 0 471.564 3.785 40 5 JHBBRN O=C(NC(=S)Nc1nc2c(cccc2Cl)s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022714139 555946881 /nfs/dbraw/zinc/94/68/81/555946881.db2.gz MGIBIQOPTWETNJ-UHFFFAOYSA-N 0 0 477.955 3.821 40 5 JHBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1[N+](=O)[O-] ZINC000022748508 555952112 /nfs/dbraw/zinc/95/21/12/555952112.db2.gz OYEXQZYHLDISIG-UHFFFAOYSA-N 0 0 490.497 3.921 40 5 JHBBRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000022750103 555952339 /nfs/dbraw/zinc/95/23/39/555952339.db2.gz XDVUVOAVYWXYSB-UHFFFAOYSA-N 0 0 491.957 3.560 40 5 JHBBRN Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000016291947 556133666 /nfs/dbraw/zinc/13/36/66/556133666.db2.gz FFESSQORIKGXGO-UHFFFAOYSA-N 0 0 452.458 3.759 40 5 JHBBRN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000017919355 556271640 /nfs/dbraw/zinc/27/16/40/556271640.db2.gz LYPNGYSKAYHGLJ-FSSWDIPSSA-N 0 0 463.421 3.794 40 5 JHBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000018086211 556285434 /nfs/dbraw/zinc/28/54/34/556285434.db2.gz HTCXICINKGOFAI-SGNDLWITSA-N 0 0 489.484 3.972 40 5 JHBBRN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-n2cccc2)cc1OC ZINC000027752338 556305641 /nfs/dbraw/zinc/30/56/41/556305641.db2.gz IVCLZPOSNVQMFG-UHFFFAOYSA-N 0 0 494.533 3.638 40 5 JHBBRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000032126491 556430268 /nfs/dbraw/zinc/43/02/68/556430268.db2.gz AUCVTYRLMDGSLE-UHFFFAOYSA-N 0 0 470.463 3.584 40 5 JHBBRN O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)cc1 ZINC000032508691 556443491 /nfs/dbraw/zinc/44/34/91/556443491.db2.gz XRCIDIDUFSYNLX-QZTJIDSGSA-N 0 0 451.957 3.519 40 5 JHBBRN CC[C@@H](C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 ZINC000035104969 569675009 /nfs/dbraw/zinc/67/50/09/569675009.db2.gz DMDRZBBFVFERLT-HXUWFJFHSA-N 0 0 482.581 3.673 40 5 JHBBRN Cc1ccc(C(=O)c2nn(-c3ccccc3)c3c(O)n(-c4cccc([N+](=O)[O-])c4)c(O)c23)cc1 ZINC000100354605 569757908 /nfs/dbraw/zinc/75/79/08/569757908.db2.gz IMSWHKUSJVUOFT-IRLDBZIGSA-N 0 0 454.442 3.520 40 5 JHBBRN C[C@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)C(=O)[C@@H]21 ZINC000100744781 569768541 /nfs/dbraw/zinc/76/85/41/569768541.db2.gz XAIPPTIVYPTSJP-KPFBPEDLSA-N 0 0 482.876 3.990 40 5 JHBBRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000039986565 569813260 /nfs/dbraw/zinc/81/32/60/569813260.db2.gz DPMUAQOWTDZJGG-UHFFFAOYSA-N 0 0 455.920 3.605 40 5 JHBBRN CN1C(=S)S[C@@H](N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000102724446 569817527 /nfs/dbraw/zinc/81/75/27/569817527.db2.gz XCPXSWDILTVGFP-TWFHAPMSSA-N 0 0 498.586 3.510 40 5 JHBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccc(OCC)cc1 ZINC000103001072 569831461 /nfs/dbraw/zinc/83/14/61/569831461.db2.gz LSBZQQOFKAMLBT-WEMUOSSPSA-N 0 0 474.517 3.547 40 5 JHBBRN CC[C@H](C)N1C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C(C)=C[C@@H]3[C@H]2C1=O ZINC000103461051 569835273 /nfs/dbraw/zinc/83/52/73/569835273.db2.gz QLOIBOOOXUQHLZ-SMHZHRAUSA-N 0 0 459.502 3.852 40 5 JHBBRN CCOC(=O)COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC ZINC000106739013 569855359 /nfs/dbraw/zinc/85/53/59/569855359.db2.gz FQGKORPIJOPJJA-ODLFYWEKSA-N 0 0 472.475 3.782 40 5 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/nfs/dbraw/zinc/17/91/66/570179166.db2.gz YBHNQLUZCACXCX-UHFFFAOYSA-N 0 0 453.520 3.687 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000409263345 570187924 /nfs/dbraw/zinc/18/79/24/570187924.db2.gz KLWBSQXLFCCQOP-UHFFFAOYSA-N 0 0 470.463 3.645 40 5 JHBBRN CCn1c2cc(NC(=O)c3cccc(I)c3)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408534551 570189466 /nfs/dbraw/zinc/18/94/66/570189466.db2.gz VZLDSQOAXQJKEM-UHFFFAOYSA-N 0 0 480.262 3.608 40 5 JHBBRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3O)n2)cc1[N+](=O)[O-] ZINC000408545128 570192688 /nfs/dbraw/zinc/19/26/88/570192688.db2.gz YVOODISOMCBOFK-UHFFFAOYSA-N 0 0 464.301 3.887 40 5 JHBBRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000408559685 570199860 /nfs/dbraw/zinc/19/98/60/570199860.db2.gz BBNSSVOIGQSQMR-AWEZNQCLSA-N 0 0 467.931 3.605 40 5 JHBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000408565407 570203323 /nfs/dbraw/zinc/20/33/23/570203323.db2.gz KLFMHNWXXXPPDY-LNXUECGXSA-N 0 0 477.492 3.935 40 5 JHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 ZINC000408571699 570204814 /nfs/dbraw/zinc/20/48/14/570204814.db2.gz CSZXTFGCMDCMEH-XBXARRHUSA-N 0 0 488.884 3.695 40 5 JHBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(C)cc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000408572570 570205007 /nfs/dbraw/zinc/20/50/07/570205007.db2.gz KGWNVYQBJAKYJW-UHFFFAOYSA-N 0 0 490.969 3.570 40 5 JHBBRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1Cl ZINC000408584392 570207562 /nfs/dbraw/zinc/20/75/62/570207562.db2.gz PGMRDXXFLSVGPP-UHFFFAOYSA-N 0 0 467.931 3.686 40 5 JHBBRN COc1cccc(-c2csc(N3CCN(CC(=O)Nc4ccc([N+](=O)[O-])cc4C)CC3)n2)c1 ZINC000057688645 195357387 /nfs/dbraw/zinc/35/73/87/195357387.db2.gz DUGUARHVXQTNLO-UHFFFAOYSA-N 0 0 467.551 3.796 40 5 JHBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc(Br)cc1 ZINC000059365746 195398082 /nfs/dbraw/zinc/39/80/82/195398082.db2.gz CYTLQEGRMSQEDY-UHFFFAOYSA-N 0 0 483.775 3.848 40 5 JHBBRN O=C(Cc1ccc(Cl)cc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000059365390 195398094 /nfs/dbraw/zinc/39/80/94/195398094.db2.gz WONXMIIZGNFDDU-UHFFFAOYSA-N 0 0 453.351 3.667 40 5 JHBBRN CCOC(=O)C1C(Nc2ccccc2)=C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009245667 520537500 /nfs/dbraw/zinc/53/75/00/520537500.db2.gz UXGJVFWQBGZVEQ-QFZWGZQFSA-N 0 0 468.506 3.942 40 5 JHBBRN CCOC(=O)C1CCN(c2ncnc(Oc3ccc(Br)cc3)c2[N+](=O)[O-])CC1 ZINC000040618889 520588032 /nfs/dbraw/zinc/58/80/32/520588032.db2.gz KXEOMAICDAIJHB-UHFFFAOYSA-N 0 0 451.277 3.719 40 5 JHBBRN COc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1Br ZINC000016226588 523650309 /nfs/dbraw/zinc/65/03/09/523650309.db2.gz HXXOTCCWBODDMH-UHFFFAOYSA-N 0 0 454.708 3.982 40 5 JHBBRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000020007327 523851218 /nfs/dbraw/zinc/85/12/18/523851218.db2.gz OLPWJZCSMGJAQJ-OAQYLSRUSA-N 0 0 483.546 3.749 40 5 JHBBRN Cc1ccc(CN(C)C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000020492820 524365116 /nfs/dbraw/zinc/36/51/16/524365116.db2.gz JJCGSGBATHTIAR-UHFFFAOYSA-N 0 0 453.520 3.757 40 5 JHBBRN O=C(COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)NC[C@H](O)c1ccccc1 ZINC000008792174 526971629 /nfs/dbraw/zinc/97/16/29/526971629.db2.gz GGVWCRUTWHSYLG-DEOSSOPVSA-N 0 0 463.493 3.821 40 5 biogenic JHBBRN CCOC(=O)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000006547757 554550364 /nfs/dbraw/zinc/55/03/64/554550364.db2.gz VGPQEQCIARSVOL-QHCPKHFHSA-N 0 0 496.541 3.627 40 5 JHBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)NC(C)C)ccc5n(c43)c(=O)c2c1OC ZINC000008792338 554685814 /nfs/dbraw/zinc/68/58/14/554685814.db2.gz GYAFUFZMHGOBRF-AWEZNQCLSA-N 0 0 459.502 3.901 40 5 biogenic JHBBRN C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000008896704 554786498 /nfs/dbraw/zinc/78/64/98/554786498.db2.gz KFXMLOBCYHCHEI-GFCCVEGCSA-N 0 0 487.607 3.607 40 5 JHBBRN COc1ccc([C@H]2C(=C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 ZINC000008974809 554846249 /nfs/dbraw/zinc/84/62/49/554846249.db2.gz OGWHSRIFGMCRDG-NDBXHCKUSA-N 0 0 467.485 3.793 40 5 JHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000009015810 554865988 /nfs/dbraw/zinc/86/59/88/554865988.db2.gz HNVGXGHZRLFXTL-KIHHCIJBSA-N 0 0 498.470 3.762 40 5 JHBBRN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)nn12 ZINC000009064551 554882489 /nfs/dbraw/zinc/88/24/89/554882489.db2.gz LYRVQPZXLGXQEH-UHFFFAOYSA-N 0 0 453.509 3.505 40 5 JHBBRN O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000009064692 554883336 /nfs/dbraw/zinc/88/33/36/554883336.db2.gz VSUOEUDPNVPYOX-UHFFFAOYSA-N 0 0 455.323 3.865 40 5 JHBBRN O=C(CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000009209584 554978861 /nfs/dbraw/zinc/97/88/61/554978861.db2.gz CBFSPFZKZDRLMV-YGOYIFOWSA-N 0 0 453.495 3.630 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000019868242 555522543 /nfs/dbraw/zinc/52/25/43/555522543.db2.gz NCSATOWOWGDNGQ-UHFFFAOYSA-N 0 0 451.932 3.737 40 5 JHBBRN COc1ccc(Cc2nnc(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])o2)cc1OC ZINC000019929164 555545711 /nfs/dbraw/zinc/54/57/11/555545711.db2.gz BWCGRXFBODRMPJ-UHFFFAOYSA-N 0 0 458.496 3.933 40 5 JHBBRN COc1ccc([C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936113 555554046 /nfs/dbraw/zinc/55/40/46/555554046.db2.gz HAEWSDZOZRHBMC-JOCHJYFZSA-N 0 0 469.519 3.994 40 5 JHBBRN Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)cc1C ZINC000020041024 555613632 /nfs/dbraw/zinc/61/36/32/555613632.db2.gz BGWUMBNJZIUYSA-UHFFFAOYSA-N 0 0 475.548 3.954 40 5 JHBBRN O=c1[nH]nc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000010298162 555676110 /nfs/dbraw/zinc/67/61/10/555676110.db2.gz SWTFNAWYKDRIPY-INIZCTEOSA-N 0 0 457.237 3.745 40 5 JHBBRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nn12 ZINC000014271431 555766383 /nfs/dbraw/zinc/76/63/83/555766383.db2.gz NMHGWSBKQNGNTD-UHFFFAOYSA-N 0 0 453.509 3.505 40 5 JHBBRN O=C(NC(=S)Nc1ccc(I)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274746 555777967 /nfs/dbraw/zinc/77/79/67/555777967.db2.gz PTSUIQDLPNRAGZ-UHFFFAOYSA-N 0 0 496.330 3.926 40 5 JHBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000020410912 555788098 /nfs/dbraw/zinc/78/80/98/555788098.db2.gz SPEDFXRULOFVNH-UHFFFAOYSA-N 0 0 455.323 3.865 40 5 JHBBRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000022233657 555893868 /nfs/dbraw/zinc/89/38/68/555893868.db2.gz QLYKPIJMEBSWNF-UHFFFAOYSA-N 0 0 473.482 3.718 40 5 JHBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000022313573 555920538 /nfs/dbraw/zinc/92/05/38/555920538.db2.gz PAWDGQNUFXCNNT-QHCPKHFHSA-N 0 0 465.531 3.984 40 5 JHBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000022313567 555920668 /nfs/dbraw/zinc/92/06/68/555920668.db2.gz PAWDGQNUFXCNNT-HSZRJFAPSA-N 0 0 465.531 3.984 40 5 JHBBRN COc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000015676032 555936024 /nfs/dbraw/zinc/93/60/24/555936024.db2.gz JRKOVWZWIUCTOT-IBGZPJMESA-N 0 0 461.438 3.708 40 5 biogenic,in-vitro JHBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1[N+](=O)[O-] ZINC000022712465 555946315 /nfs/dbraw/zinc/94/63/15/555946315.db2.gz PQDZNTNHVKSUTB-UHFFFAOYSA-N 0 0 476.470 3.531 40 5 JHBBRN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000022744106 555950486 /nfs/dbraw/zinc/95/04/86/555950486.db2.gz IDXNNYRJQJDFLJ-UHFFFAOYSA-N 0 0 486.550 3.515 40 5 JHBBRN CCOC(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000024522269 556133246 /nfs/dbraw/zinc/13/32/46/556133246.db2.gz YIWULVJQAHYMMJ-UHFFFAOYSA-N 0 0 454.460 3.857 40 5 JHBBRN Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016363002 556136669 /nfs/dbraw/zinc/13/66/69/556136669.db2.gz CPBBXYCKMDSCNL-UHFFFAOYSA-N 0 0 482.484 3.524 40 5 JHBBRN CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018067029 556282602 /nfs/dbraw/zinc/28/26/02/556282602.db2.gz DECWLHVNAHLOPI-VJBWXMMDSA-N 0 0 472.457 3.604 40 5 JHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@H]12 ZINC000032594615 556448852 /nfs/dbraw/zinc/44/88/52/556448852.db2.gz QUNSVPWAELURHX-SOUVJXGZSA-N 0 0 455.473 3.537 40 5 JHBBRN CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2s1 ZINC000057316068 569597469 /nfs/dbraw/zinc/59/74/69/569597469.db2.gz VYKDYKOFKPDPHW-UHFFFAOYSA-N 0 0 459.509 3.688 40 5 JHBBRN Cn1cnnc1Sc1ccc([C@H](Nc2ccccn2)n2nnc3ccccc32)cc1[N+](=O)[O-] ZINC000059488707 569605546 /nfs/dbraw/zinc/60/55/46/569605546.db2.gz HCYHACJUGHIUFU-HXUWFJFHSA-N 0 0 459.495 3.673 40 5 JHBBRN CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@@H]2NC(=O)c3ccccc3O2)C1 ZINC000059488795 569605641 /nfs/dbraw/zinc/60/56/41/569605641.db2.gz LTRWAEZFJYUKCG-QMHKHESXSA-N 0 0 452.511 3.501 40 5 JHBBRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C2CCCCC2)cc1OC ZINC000059942128 569608131 /nfs/dbraw/zinc/60/81/31/569608131.db2.gz NABHTKGKAIFTIR-UHFFFAOYSA-N 0 0 477.539 3.574 40 5 JHBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccccc1F ZINC000035078975 569674332 /nfs/dbraw/zinc/67/43/32/569674332.db2.gz QZOUQCVICJBCFR-UHFFFAOYSA-N 0 0 471.558 3.561 40 5 JHBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(F)cc3)N3N=Cc4ccccc4[C@@H]23)C1O ZINC000035840256 569713835 /nfs/dbraw/zinc/71/38/35/569713835.db2.gz ROWCZIRSIKFAAQ-LWSSLDFYSA-N 0 0 498.470 3.804 40 5 JHBBRN Cc1ccc(C(=O)c2nn(-c3ccccc3)c3c(O)n(-c4cccc([N+](=O)[O-])c4)c(O)c23)cc1 ZINC000100354611 569757986 /nfs/dbraw/zinc/75/79/86/569757986.db2.gz IMSWHKUSJVUOFT-RBBKRZOGSA-N 0 0 454.442 3.520 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(F)cc3)N3N=Cc4ccccc4[C@@H]23)C1O ZINC000101342810 569793690 /nfs/dbraw/zinc/79/36/90/569793690.db2.gz FIJHVXBCEJWKML-LWSSLDFYSA-N 0 0 498.470 3.804 40 5 JHBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000102753760 569821116 /nfs/dbraw/zinc/82/11/16/569821116.db2.gz LVEVNSILPXFQHJ-TZRRMPRUSA-N 0 0 489.484 3.972 40 5 JHBBRN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OCC)c2)C1=O ZINC000106742891 569855416 /nfs/dbraw/zinc/85/54/16/569855416.db2.gz BZBVWHGFPRRPEW-YVLHZVERSA-N 0 0 473.463 3.780 40 5 JHBBRN COc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)C(C)C)cc1 ZINC000107668992 569856955 /nfs/dbraw/zinc/85/69/55/569856955.db2.gz YOCPPUYJMHODJD-HXUWFJFHSA-N 0 0 498.565 3.590 40 5 JHBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)o1 ZINC000108988668 569860183 /nfs/dbraw/zinc/86/01/83/569860183.db2.gz OSANCLKNPSGJSA-NDENLUEZSA-N 0 0 477.429 3.646 40 5 JHBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(Br)c(Cl)c1 ZINC000138904867 569866646 /nfs/dbraw/zinc/86/66/46/569866646.db2.gz CODHWCCUTXCWLH-LLVKDONJSA-N 0 0 496.701 3.546 40 5 JHBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222405238 569884159 /nfs/dbraw/zinc/88/41/59/569884159.db2.gz VIALCKLYGUEXJH-FQEVSTJZSA-N 0 0 457.527 3.623 40 5 JHBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222498567 569884896 /nfs/dbraw/zinc/88/48/96/569884896.db2.gz QFQLUASNGUDZOK-HXUWFJFHSA-N 0 0 457.527 3.623 40 5 JHBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222533940 569885224 /nfs/dbraw/zinc/88/52/24/569885224.db2.gz CDGCSKMTFNJYLM-HSZRJFAPSA-N 0 0 495.507 3.507 40 5 JHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222534001 569885241 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3.948 40 5 JHBBRN CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731306 570029162 /nfs/dbraw/zinc/02/91/62/570029162.db2.gz LRTXSPSVIZMTMG-OAQYLSRUSA-N 0 0 455.467 3.716 40 5 JHBBRN COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 ZINC000408926012 570078447 /nfs/dbraw/zinc/07/84/47/570078447.db2.gz MLZDDPVPPJWRQK-UHFFFAOYSA-N 0 0 483.502 3.524 40 5 JHBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000409066097 570116374 /nfs/dbraw/zinc/11/63/74/570116374.db2.gz ALIVIHUALBTCHW-LBFZPMSMSA-N 0 0 473.419 3.893 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)o1 ZINC000409093920 570125823 /nfs/dbraw/zinc/12/58/23/570125823.db2.gz BPEGIYVUHSBPQR-XDHOZWIPSA-N 0 0 476.445 3.703 40 5 JHBBRN CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409136876 570142768 /nfs/dbraw/zinc/14/27/68/570142768.db2.gz YTOLINZOROEMAZ-UHFFFAOYSA-N 0 0 486.579 3.643 40 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CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000261364807 570168685 /nfs/dbraw/zinc/16/86/85/570168685.db2.gz NWAVXXIXNWQYJE-QFIPXVFZSA-O 0 0 476.494 3.940 40 5 JHBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409245326 570183800 /nfs/dbraw/zinc/18/38/00/570183800.db2.gz QXAPJMRUKNERQN-UYRXBGFRSA-N 0 0 460.446 3.949 40 5 JHBBRN Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] ZINC000408553901 570195990 /nfs/dbraw/zinc/19/59/90/570195990.db2.gz RIPHCEQUWSRRDS-UHFFFAOYSA-N 0 0 482.356 3.705 40 5 JHBBRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1C ZINC000408556416 570197426 /nfs/dbraw/zinc/19/74/26/570197426.db2.gz IHXSVGXLMHOSTM-KRWDZBQOSA-N 0 0 461.540 3.650 40 5 JHBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccccc1F ZINC000408565014 570202911 /nfs/dbraw/zinc/20/29/11/570202911.db2.gz HDIWZAAAUUPMLG-FODJJAHYSA-N 0 0 477.492 3.935 40 5 JHBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1cc(OC)cc(OC)c1 ZINC000408581609 570206751 /nfs/dbraw/zinc/20/67/51/570206751.db2.gz JOJUREGYJBVZNJ-UHFFFAOYSA-N 0 0 473.511 3.630 40 5 JHBBRN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000001440959 194121144 /nfs/dbraw/zinc/12/11/44/194121144.db2.gz BOHQMDAGJBLPAQ-UHFFFAOYSA-N 0 0 466.416 3.576 40 5 JHBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000021578215 195316153 /nfs/dbraw/zinc/31/61/53/195316153.db2.gz MIVNGIHLJFXEPX-UHFFFAOYSA-N 0 0 460.918 3.958 40 5 JHBBRN CC[C@@H]1CCCCN1[C@H](NC(=O)OCCn1c(C)ncc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000035188453 523178625 /nfs/dbraw/zinc/17/86/25/523178625.db2.gz MGQYAPQDECRUOR-OCCSQVGLSA-N 0 0 456.758 3.787 40 5 JHBBRN COc1ccc(C=Cc2cc(C=Cc3ccc(OC)c([N+](=O)[O-])c3)[nH]c(=O)n2)cc1[N+](=O)[O-] ZINC000016227647 523404173 /nfs/dbraw/zinc/40/41/73/523404173.db2.gz RUDKCPGOVXZLAM-FCXRPNKRSA-N 0 0 450.407 3.944 40 5 JHBBRN C[C@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)c3)C(=O)[C@@H]2C1 ZINC000016157658 524374312 /nfs/dbraw/zinc/37/43/12/524374312.db2.gz SNQNQZOEFKLICC-PNHOKKKMSA-N 0 0 450.447 3.560 40 5 JHBBRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 ZINC000019867917 524633497 /nfs/dbraw/zinc/63/34/97/524633497.db2.gz JIYPEXHNEOGRDM-UHFFFAOYSA-N 0 0 451.932 3.737 40 5 JHBBRN COc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022429744 525305728 /nfs/dbraw/zinc/30/57/28/525305728.db2.gz JVLKQZWAQDXTMS-KRWDZBQOSA-N 0 0 469.519 3.676 40 5 JHBBRN COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN21 ZINC000036089846 525581450 /nfs/dbraw/zinc/58/14/50/525581450.db2.gz IAXLBQNFSIAZQD-INADMSBESA-N 0 0 484.512 3.907 40 5 JHBBRN Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] ZINC000022525975 525831543 /nfs/dbraw/zinc/83/15/43/525831543.db2.gz JKJDAXOROHIBBI-UHFFFAOYSA-N 0 0 496.383 3.846 40 5 JHBBRN Nc1scc2c1c(=O)n(-c1ccc([N+](=O)[O-])cc1)nc2-c1nnc(NC(=O)c2ccccc2)s1 ZINC000016476860 527581759 /nfs/dbraw/zinc/58/17/59/527581759.db2.gz DPIGZKAXAAZHOC-UHFFFAOYSA-N 0 0 491.514 3.708 40 5 JHBBRN COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000874047 553811387 /nfs/dbraw/zinc/81/13/87/553811387.db2.gz XGXCZAHLMSLLBB-UHFFFAOYSA-N 0 0 453.524 3.956 40 5 JHBBRN Cc1ccccc1-n1c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2c2ccccc2c1=O ZINC000002616692 554241645 /nfs/dbraw/zinc/24/16/45/554241645.db2.gz UTXGVUKDOPQBJE-UHFFFAOYSA-N 0 0 486.513 3.981 40 5 JHBBRN COc1ccc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)CCCC5)c([N+](=O)[O-])c1 ZINC000006924663 554562008 /nfs/dbraw/zinc/56/20/08/554562008.db2.gz UJVQTSRJUAKRIY-UHFFFAOYSA-N 0 0 470.536 3.865 40 5 JHBBRN CCc1cc(I)ccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008831342 554722071 /nfs/dbraw/zinc/72/20/71/554722071.db2.gz WGZOSVFKPHDEER-UHFFFAOYSA-N 0 0 455.277 3.889 40 5 JHBBRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3C)nn12 ZINC000009064552 554882460 /nfs/dbraw/zinc/88/24/60/554882460.db2.gz ARWDZRZGHPVDHG-UHFFFAOYSA-N 0 0 467.536 3.813 40 5 JHBBRN CC(C)(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013503969 555462477 /nfs/dbraw/zinc/46/24/77/555462477.db2.gz LFQAMKACFUXOCH-HXUWFJFHSA-N 0 0 455.950 3.901 40 5 JHBBRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)CC2)cc1 ZINC000010287727 555673831 /nfs/dbraw/zinc/67/38/31/555673831.db2.gz HJLREMIMROAIKA-NCELDCMTSA-N 0 0 491.569 3.977 40 5 JHBBRN O=c1[nH]nc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000010298160 555676131 /nfs/dbraw/zinc/67/61/31/555676131.db2.gz SWTFNAWYKDRIPY-MRXNPFEDSA-N 0 0 457.237 3.745 40 5 JHBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Br ZINC000020410775 555787834 /nfs/dbraw/zinc/78/78/34/555787834.db2.gz RKTJGIPIDMWCQH-UHFFFAOYSA-N 0 0 450.289 3.845 40 5 JHBBRN CCOc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2OC)cc1[N+](=O)[O-] ZINC000014291343 555793162 /nfs/dbraw/zinc/79/31/62/555793162.db2.gz RBRZWVOCVFENAG-UHFFFAOYSA-N 0 0 454.468 3.729 40 5 JHBBRN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000014400347 555805868 /nfs/dbraw/zinc/80/58/68/555805868.db2.gz VFAWUUZQHIASMX-UHFFFAOYSA-N 0 0 467.931 3.930 40 5 JHBBRN CC1CCN(c2ccccc2NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000022740949 555949339 /nfs/dbraw/zinc/94/93/39/555949339.db2.gz FXCNFAGGEZLELK-UHFFFAOYSA-N 0 0 483.594 3.795 40 5 JHBBRN CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3[S@](=O)c3cc([N+](=O)[O-])ccc32)cc1 ZINC000017014482 556204263 /nfs/dbraw/zinc/20/42/63/556204263.db2.gz KRQMHZFJCWFGKB-SSEXGKCCSA-N 0 0 457.489 3.560 40 5 JHBBRN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)C1 ZINC000013083551 556279917 /nfs/dbraw/zinc/27/99/17/556279917.db2.gz MKZVRYGEGSVKGJ-MRXNPFEDSA-N 0 0 493.911 3.557 40 5 JHBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@@H]2c1ccc(Br)cc1 ZINC000019171530 556332912 /nfs/dbraw/zinc/33/29/12/556332912.db2.gz BYKKAIQZBYCVGK-KURKYZTESA-N 0 0 491.729 3.546 40 5 JHBBRN CC[C@H]1CCCCN1[C@@H](NC(=O)OCCn1c(C)ncc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000019204084 556333982 /nfs/dbraw/zinc/33/39/82/556333982.db2.gz MGQYAPQDECRUOR-GXTWGEPZSA-N 0 0 456.758 3.787 40 5 JHBBRN CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@@H]2NC(=O)c3ccccc3O2)C1 ZINC000059488794 569605621 /nfs/dbraw/zinc/60/56/21/569605621.db2.gz LTRWAEZFJYUKCG-WAIKUNEKSA-N 0 0 452.511 3.501 40 5 JHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000059677809 569607367 /nfs/dbraw/zinc/60/73/67/569607367.db2.gz JQLSLXBRLPWYRQ-LJJBLSSYSA-N 0 0 491.569 3.830 40 5 JHBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cccc1[N+](=O)[O-] ZINC000033437531 569626325 /nfs/dbraw/zinc/62/63/25/569626325.db2.gz FUAIJOGVSWPRRW-UHFFFAOYSA-N 0 0 467.503 3.672 40 5 JHBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)NC(=O)c1ccccc1F ZINC000033743331 569633181 /nfs/dbraw/zinc/63/31/81/569633181.db2.gz WPXBKCPOWASHRJ-AWEZNQCLSA-N 0 0 486.529 3.876 40 5 JHBBRN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000101112592 569783217 /nfs/dbraw/zinc/78/32/17/569783217.db2.gz LYPNGYSKAYHGLJ-FKBYEOEOSA-N 0 0 463.421 3.794 40 5 JHBBRN CC1=C[C@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 ZINC000101478199 569799050 /nfs/dbraw/zinc/79/90/50/569799050.db2.gz QNPDOFCZLATMOX-MYGLTJDJSA-N 0 0 459.502 3.852 40 5 JHBBRN CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C(C)=C[C@@H]21 ZINC000101484396 569799434 /nfs/dbraw/zinc/79/94/34/569799434.db2.gz QLOIBOOOXUQHLZ-IQGNASQBSA-N 0 0 459.502 3.852 40 5 JHBBRN COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102734114 569818448 /nfs/dbraw/zinc/81/84/48/569818448.db2.gz OHQNDLZFMYZILX-RJGXRXQPSA-N 0 0 475.457 3.663 40 5 JHBBRN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1[N+](=O)[O-] ZINC000040372745 569824245 /nfs/dbraw/zinc/82/42/45/569824245.db2.gz DVWYAEPNQGFHEC-OAQYLSRUSA-N 0 0 456.462 3.765 40 5 JHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 ZINC000040400294 569827544 /nfs/dbraw/zinc/82/75/44/569827544.db2.gz GEAMIOXMYIEXAL-AWEZNQCLSA-N 0 0 488.382 3.505 40 5 JHBBRN CC1=C[C@@H]2[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 ZINC000103459604 569835156 /nfs/dbraw/zinc/83/51/56/569835156.db2.gz QNPDOFCZLATMOX-CZYKHXBRSA-N 0 0 459.502 3.852 40 5 JHBBRN CCOC(=O)COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OC ZINC000106728459 569855210 /nfs/dbraw/zinc/85/52/10/569855210.db2.gz MCAVWQROYZRICS-ODLFYWEKSA-N 0 0 472.475 3.782 40 5 JHBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106739213 569855314 /nfs/dbraw/zinc/85/53/14/569855314.db2.gz WKFAHJOXFLKHLD-UNOMPAQXSA-N 0 0 470.463 3.576 40 5 JHBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1[N+](=O)[O-] ZINC000138611202 569866049 /nfs/dbraw/zinc/86/60/49/569866049.db2.gz CVLGUJMERMERSO-GFCCVEGCSA-N 0 0 466.277 3.745 40 5 JHBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)N1CCCC1 ZINC000205912909 569874550 /nfs/dbraw/zinc/87/45/50/569874550.db2.gz RSAXDDOZFZTSGS-YBFXNURJSA-N 0 0 498.473 3.954 40 5 JHBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000216458227 569878966 /nfs/dbraw/zinc/87/89/66/569878966.db2.gz QKYMCKFGPDXRCP-UHFFFAOYSA-N 0 0 475.548 3.954 40 5 JHBBRN CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222636046 569887465 /nfs/dbraw/zinc/88/74/65/569887465.db2.gz FAGKVQFTMPUJCT-SFHVURJKSA-N 0 0 473.507 3.530 40 5 JHBBRN CC[C@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223051700 569897779 /nfs/dbraw/zinc/89/77/79/569897779.db2.gz HPFYYRXXZYJHIU-FQEVSTJZSA-N 0 0 475.567 3.516 40 5 JHBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223136642 569900677 /nfs/dbraw/zinc/90/06/77/569900677.db2.gz AKTYGVFIFXGLFP-SFHVURJKSA-N 0 0 457.527 3.624 40 5 JHBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)o2)cc1 ZINC000223166343 569901757 /nfs/dbraw/zinc/90/17/57/569901757.db2.gz ALVSLCAYGWZIOG-XZOQPEGZSA-N 0 0 479.562 3.555 40 5 JHBBRN CC[C@H](NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000223273914 569905752 /nfs/dbraw/zinc/90/57/52/569905752.db2.gz QHTGKWZHOKVMFU-IBGZPJMESA-N 0 0 493.582 3.734 40 5 JHBBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000223705645 569920563 /nfs/dbraw/zinc/92/05/63/569920563.db2.gz UJEUTPDHSYOGFS-FGZHOGPDSA-N 0 0 482.518 3.794 40 5 JHBBRN CC[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223726785 569921308 /nfs/dbraw/zinc/92/13/08/569921308.db2.gz RKIDRRFLZLBAQA-FQEVSTJZSA-N 0 0 491.610 3.941 40 5 JHBBRN CC[C@H](C(=O)Nc1nnc(-c2ccc(C)cc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223872964 569925820 /nfs/dbraw/zinc/92/58/20/569925820.db2.gz TUNCJQFKKQRILA-QGZVFWFLSA-N 0 0 475.552 3.605 40 5 JHBBRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000224280859 569939151 /nfs/dbraw/zinc/93/91/51/569939151.db2.gz FJGQFKPSOFNIAG-UHFFFAOYSA-N 0 0 467.931 3.613 40 5 JHBBRN CC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224890508 569962006 /nfs/dbraw/zinc/96/20/06/569962006.db2.gz ZEMNCNIAJSBAIH-MRXNPFEDSA-N 0 0 461.418 3.677 40 5 JHBBRN CC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224890671 569962017 /nfs/dbraw/zinc/96/20/17/569962017.db2.gz VBVGVQLEIXYWMO-HNNXBMFYSA-N 0 0 491.444 3.685 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O ZINC000224891704 569962085 /nfs/dbraw/zinc/96/20/85/569962085.db2.gz PAAYLBVPMSJNNE-UHFFFAOYSA-N 0 0 491.444 3.687 40 5 JHBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225202161 569982227 /nfs/dbraw/zinc/98/22/27/569982227.db2.gz AGHHYTUREXGNBC-JKSUJKDBSA-N 0 0 477.945 3.968 40 5 JHBBRN Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)cc1 ZINC000408640923 569989072 /nfs/dbraw/zinc/98/90/72/569989072.db2.gz BQAQLMNPYXOLLV-HSQYWUDLSA-N 0 0 475.501 3.873 40 5 JHBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000408641247 569989249 /nfs/dbraw/zinc/98/92/49/569989249.db2.gz CCHDGYLAXHDUPK-IAGOWNOFSA-N 0 0 469.881 3.664 40 5 JHBBRN COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000408645335 569991386 /nfs/dbraw/zinc/99/13/86/569991386.db2.gz KCKYLKSNKOBDHX-UHFFFAOYSA-N 0 0 463.874 3.856 40 5 JHBBRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000408649527 569993322 /nfs/dbraw/zinc/99/33/22/569993322.db2.gz LDAHIXCTNHEIFU-NJDAHSKKSA-N 0 0 461.474 3.565 40 5 JHBBRN Cc1ccccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O ZINC000408654574 569996344 /nfs/dbraw/zinc/99/63/44/569996344.db2.gz GCAVVLKHBRVLCM-INIZCTEOSA-N 0 0 485.452 3.662 40 5 JHBBRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)c2)cc1[N+](=O)[O-] ZINC000408657138 569997990 /nfs/dbraw/zinc/99/79/90/569997990.db2.gz GEXWYDNPXVLNIS-XMCHAPAWSA-N 0 0 479.489 3.624 40 5 JHBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5ccccc5C4=O)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408664141 570002921 /nfs/dbraw/zinc/00/29/21/570002921.db2.gz NSULHVYUQKDFEC-QGZVFWFLSA-N 0 0 499.479 3.971 40 5 JHBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000408664160 570002923 /nfs/dbraw/zinc/00/29/23/570002923.db2.gz YVXIQOMWHDDEKK-LJQANCHMSA-N 0 0 489.440 3.949 40 5 JHBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3C)CC2=O)cc1[N+](=O)[O-] ZINC000408669233 570006327 /nfs/dbraw/zinc/00/63/27/570006327.db2.gz NPKBMEKJUQQJEB-CQSZACIVSA-N 0 0 490.310 3.509 40 5 JHBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000408671035 570007470 /nfs/dbraw/zinc/00/74/70/570007470.db2.gz RYGHMBGAQBUJKJ-KRWDZBQOSA-N 0 0 475.457 3.922 40 5 JHBBRN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000408672561 570008263 /nfs/dbraw/zinc/00/82/63/570008263.db2.gz NUZDQLFQUQDQCQ-UHFFFAOYSA-N 0 0 486.477 3.704 40 5 JHBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1[N+](=O)[O-] ZINC000408673286 570008664 /nfs/dbraw/zinc/00/86/64/570008664.db2.gz ZNOHCMRUJTVPAW-GFCCVEGCSA-N 0 0 466.277 3.745 40 5 JHBBRN Cc1cccc(C)c1N1C[C@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O ZINC000408674169 570009008 /nfs/dbraw/zinc/00/90/08/570009008.db2.gz YPZSOAFCTTUDHW-QGZVFWFLSA-N 0 0 499.479 3.971 40 5 JHBBRN CCCSc1nnc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)s1 ZINC000225657798 570012829 /nfs/dbraw/zinc/01/28/29/570012829.db2.gz LEVFSTKKTOZGAJ-UHFFFAOYSA-N 0 0 493.592 3.782 40 5 JHBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408683476 570013173 /nfs/dbraw/zinc/01/31/73/570013173.db2.gz LHZHJXPWBCXGSA-BJZITVGISA-N 0 0 483.908 3.910 40 5 JHBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000408683483 570013272 /nfs/dbraw/zinc/01/32/72/570013272.db2.gz LHZHJXPWBCXGSA-LSBZLQRGSA-N 0 0 483.908 3.910 40 5 JHBBRN Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 ZINC000408684850 570013686 /nfs/dbraw/zinc/01/36/86/570013686.db2.gz OGQWKSCZYVMKGS-ZLGUVYLKSA-N 0 0 463.490 3.565 40 5 JHBBRN Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3CC[C@@H](C)C[C@@H]3C2=O)cc1 ZINC000408684846 570013722 /nfs/dbraw/zinc/01/37/22/570013722.db2.gz OGQWKSCZYVMKGS-HBGVWJBISA-N 0 0 463.490 3.565 40 5 JHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 ZINC000408687861 570014358 /nfs/dbraw/zinc/01/43/58/570014358.db2.gz VGZYKWOFCCLEAJ-ASUYLVSUSA-N 0 0 498.879 3.911 40 5 JHBBRN CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn([C@@H]4CCC[C@H](C)[C@H]4C)c(=O)c3cc2c1=O ZINC000253563002 570103647 /nfs/dbraw/zinc/10/36/47/570103647.db2.gz DXYGBDQZALLMAL-PDSXEYIOSA-N 0 0 475.549 3.906 40 5 JHBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccccc2F)n1C ZINC000409127217 570138562 /nfs/dbraw/zinc/13/85/62/570138562.db2.gz GVODXQMJSNEGPV-LJQANCHMSA-N 0 0 486.529 3.720 40 5 JHBBRN CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000409129082 570139289 /nfs/dbraw/zinc/13/92/89/570139289.db2.gz IPJPFKGPHZCZHO-UHFFFAOYSA-N 0 0 485.518 3.836 40 5 JHBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N[C@@H](C)c2ccccc2)n[nH]1 ZINC000409153431 570149753 /nfs/dbraw/zinc/14/97/53/570149753.db2.gz CYEIWNPQUYISQM-YWZLYKJASA-N 0 0 482.566 3.810 40 5 JHBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl ZINC000409171425 570154924 /nfs/dbraw/zinc/15/49/24/570154924.db2.gz BDPVBNHXKBJZRH-LZYBPNLTSA-N 0 0 475.866 3.710 40 5 JHBBRN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000409179761 570158523 /nfs/dbraw/zinc/15/85/23/570158523.db2.gz UVRDSUDHKGEIHV-FGEXJBCWSA-N 0 0 456.429 3.874 40 5 JHBBRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000409181551 570159425 /nfs/dbraw/zinc/15/94/25/570159425.db2.gz DAQVDDCUUDRRLP-UHFFFAOYSA-N 0 0 453.472 3.917 40 5 JHBBRN Cc1c(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000409273479 570189577 /nfs/dbraw/zinc/18/95/77/570189577.db2.gz YJNXZSZAMAYRLZ-UHFFFAOYSA-N 0 0 465.837 3.980 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000409273654 570189583 /nfs/dbraw/zinc/18/95/83/570189583.db2.gz ZTVOBEGTQGSVOY-UHFFFAOYSA-N 0 0 465.837 3.980 40 5 JHBBRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1Cl ZINC000408552296 570195536 /nfs/dbraw/zinc/19/55/36/570195536.db2.gz LMMQVKVIFPOWQK-UHFFFAOYSA-N 0 0 467.931 3.605 40 5 JHBBRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000408559686 570199923 /nfs/dbraw/zinc/19/99/23/570199923.db2.gz BBNSSVOIGQSQMR-CQSZACIVSA-N 0 0 467.931 3.605 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C ZINC000408560467 570200487 /nfs/dbraw/zinc/20/04/87/570200487.db2.gz CUXFTNODWBOJOB-UHFFFAOYSA-N 0 0 481.530 3.981 40 5 JHBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1cccc(F)c1 ZINC000408565393 570203370 /nfs/dbraw/zinc/20/33/70/570203370.db2.gz KGJMDEKBABPRQW-YLORPAJWSA-N 0 0 477.492 3.935 40 5 JHBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000408565412 570203397 /nfs/dbraw/zinc/20/33/97/570203397.db2.gz KLFMHNWXXXPPDY-YQIFXUADSA-N 0 0 477.492 3.935 40 5 JHBBRN COc1ccc(OC)c(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccccc2)c1 ZINC000408588423 570208557 /nfs/dbraw/zinc/20/85/57/570208557.db2.gz WEOCQRIJHRLDLA-UHFFFAOYSA-N 0 0 499.545 3.750 40 5 JHBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1c(F)cccc1F ZINC000102920193 130391333 /nfs/dbraw/zinc/39/13/33/130391333.db2.gz NFABZJCFNKVJKH-QUPMIFSKSA-N 0 0 480.471 3.735 40 5 JHBBRN CC(C)Oc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000016575615 519778700 /nfs/dbraw/zinc/77/87/00/519778700.db2.gz ZMNVPVRQISZCDJ-UHFFFAOYSA-N 0 0 462.959 3.872 40 5 JHBBRN CC(C)Oc1cccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000016575675 519782438 /nfs/dbraw/zinc/78/24/38/519782438.db2.gz OXDCNPRVRNXGJF-UHFFFAOYSA-N 0 0 462.959 3.872 40 5 JHBBRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000016681567 521698970 /nfs/dbraw/zinc/69/89/70/521698970.db2.gz JROSUBAIHLMMID-UHFFFAOYSA-N 0 0 477.974 3.526 40 5 JHBBRN COc1ccc(-n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1 ZINC000006157260 523322692 /nfs/dbraw/zinc/32/26/92/523322692.db2.gz JSEITYYGIWCVTB-UHFFFAOYSA-N 0 0 462.491 3.977 40 5 JHBBRN COCCCNC(=O)[C@@H](C)Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1c3ccc(OC)c1OC ZINC000008792120 523349944 /nfs/dbraw/zinc/34/99/44/523349944.db2.gz PORYACDVZLWPLO-OAHLLOKOSA-N 0 0 489.528 3.529 40 5 biogenic JHBBRN COc1ccc(Cn2nnnc2[C@@H](c2ccc(C)cc2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000013504938 524268820 /nfs/dbraw/zinc/26/88/20/524268820.db2.gz XVPMGUDCJALDCW-AREMUKBSSA-N 0 0 499.575 3.858 40 5 JHBBRN Nc1c(Br)cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1Br ZINC000000823766 553787328 /nfs/dbraw/zinc/78/73/28/553787328.db2.gz BBCIYCPIHFLQPX-UHFFFAOYSA-N 0 0 458.062 3.742 40 5 JHBBRN O=C(COC(=O)c1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001839751 553994519 /nfs/dbraw/zinc/99/45/19/553994519.db2.gz FNWZAPPDSVWQOT-UHFFFAOYSA-N 0 0 492.396 3.582 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000006906650 554561825 /nfs/dbraw/zinc/56/18/25/554561825.db2.gz ANERHGSADWOYFE-UHFFFAOYSA-N 0 0 466.475 3.685 40 5 JHBBRN O=C(COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)NC[C@@H](O)c1ccccc1 ZINC000008792172 554685378 /nfs/dbraw/zinc/68/53/78/554685378.db2.gz GGVWCRUTWHSYLG-XMMPIXPASA-N 0 0 463.493 3.821 40 5 biogenic JHBBRN CCCCN1C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C(C)=C[C@H]3[C@H]2C1=O ZINC000008993386 554853664 /nfs/dbraw/zinc/85/36/64/554853664.db2.gz ZVLKSWDBHGRLPT-AFXVXQJMSA-N 0 0 459.502 3.853 40 5 JHBBRN CCOC(=O)C1C(Nc2ccccc2)=C[C@@](C)(O)[C@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009185617 554958341 /nfs/dbraw/zinc/95/83/41/554958341.db2.gz CWBFOZNZYALHJC-UWDQQESISA-N 0 0 468.506 3.942 40 5 JHBBRN O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000013563378 555498321 /nfs/dbraw/zinc/49/83/21/555498321.db2.gz 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CCOC(=O)C1CCN(C(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)CC1 ZINC000408994994 570095260 /nfs/dbraw/zinc/09/52/60/570095260.db2.gz KIXQUUVXIRFCCG-UHFFFAOYSA-N 0 0 452.536 3.526 40 5 JHBBRN Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1 ZINC000409123618 570136831 /nfs/dbraw/zinc/13/68/31/570136831.db2.gz HRMXGJZSZSNPDJ-OAHLLOKOSA-N 0 0 468.539 3.562 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000409132190 570140642 /nfs/dbraw/zinc/14/06/42/570140642.db2.gz NLHDFQZGEPXVJN-HNNXBMFYSA-N 0 0 468.539 3.736 40 5 JHBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1C ZINC000409138090 570143271 /nfs/dbraw/zinc/14/32/71/570143271.db2.gz ZUDMXOGYNQUZHH-IIBYNOLFSA-N 0 0 496.593 3.820 40 5 JHBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O ZINC000409151536 570149293 /nfs/dbraw/zinc/14/92/93/570149293.db2.gz CBHVCUCSSUJARD-MOSHPQCFSA-N 0 0 496.545 3.723 40 5 JHBBRN 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O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCO)n1 ZINC000329063832 570183458 /nfs/dbraw/zinc/18/34/58/570183458.db2.gz XFNNJFJSZPTMBT-UHFFFAOYSA-N 0 0 469.807 3.595 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000408527677 570186591 /nfs/dbraw/zinc/18/65/91/570186591.db2.gz FESSDPCUCYSMQU-UHFFFAOYSA-N 0 0 467.503 3.672 40 5 JHBBRN Cc1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)cc1[N+](=O)[O-] ZINC000408544009 570192209 /nfs/dbraw/zinc/19/22/09/570192209.db2.gz RIPMENLLHLJXJB-UHFFFAOYSA-N 0 0 478.328 3.898 40 5 JHBBRN CN1C[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565998 570203589 /nfs/dbraw/zinc/20/35/89/570203589.db2.gz MODWHTDXURENOY-JHMXWDHMSA-N 0 0 474.473 3.696 40 5 JHBBRN CCCCOc1ccc(C(=O)N2CCN(c3ccc(C(=O)OCC)cc3[N+](=O)[O-])CC2)cc1 ZINC000408572243 570204900 /nfs/dbraw/zinc/20/49/00/570204900.db2.gz HNXWAXSCRVMMBK-UHFFFAOYSA-N 0 0 455.511 3.913 40 5 JHBBRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccccc2)cc1 ZINC000408587652 570208405 /nfs/dbraw/zinc/20/84/05/570208405.db2.gz SVYNOWZFAGGZOC-UHFFFAOYSA-N 0 0 469.519 3.741 40 5 JHBBRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008832164 194485496 /nfs/dbraw/zinc/48/54/96/194485496.db2.gz PAVZFRJFWMVVIE-UHFFFAOYSA-N 0 0 458.478 3.726 40 5 JHBBRN Cc1c(N(Cc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224863085 195469770 /nfs/dbraw/zinc/46/97/70/195469770.db2.gz BLJUCYNZTYUZOL-UHFFFAOYSA-N 0 0 485.537 3.981 40 5 JHBBRN CCCCN1C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@H]2C1=O ZINC000103461887 130637748 /nfs/dbraw/zinc/63/77/48/130637748.db2.gz JIOXPDIBCVUSDH-SSGKUCQKSA-N 0 0 459.502 3.853 40 5 JHBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000026570608 520481272 /nfs/dbraw/zinc/48/12/72/520481272.db2.gz DYMBDEXLKDWKRB-NXRCNTEHSA-N 0 0 493.516 3.511 40 5 JHBBRN COc1ccccc1-c1cc(C(F)F)n2ncc(-c3nnc(CCn4cc([N+](=O)[O-])cn4)o3)c2n1 ZINC000002792017 524268426 /nfs/dbraw/zinc/26/84/26/524268426.db2.gz MDUHENXHIIKMJT-UHFFFAOYSA-N 0 0 482.407 3.740 40 5 JHBBRN COc1ccccc1[C@@H](c1nnnn1CCC(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013505360 524745009 /nfs/dbraw/zinc/74/50/09/524745009.db2.gz VUBWYUCGJCTMOB-QHCPKHFHSA-N 0 0 465.558 3.548 40 5 JHBBRN COc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4OC)n3c2c1 ZINC000012470071 525623396 /nfs/dbraw/zinc/62/33/96/525623396.db2.gz VZIPJUNHWZUHAR-UHFFFAOYSA-N 0 0 453.480 3.847 40 5 JHBBRN CC1=C[C@@H]2[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 ZINC000102799363 535246372 /nfs/dbraw/zinc/24/63/72/535246372.db2.gz GJFQMAPHCKNEHN-CZYKHXBRSA-N 0 0 459.502 3.852 40 5 JHBBRN COc1ccc2c3nccc4c5cc(OCC(=O)NCc6ccccn6)ccc5n(c43)c(=O)c2c1OC ZINC000008792329 554685807 /nfs/dbraw/zinc/68/58/07/554685807.db2.gz QWTVBZSPEDTIQS-UHFFFAOYSA-N 0 0 494.507 3.699 40 5 biogenic JHBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cc(I)ccc1Cl ZINC000008902373 554796324 /nfs/dbraw/zinc/79/63/24/554796324.db2.gz SHWFMWRHBUMRJD-UHFFFAOYSA-N 0 0 487.681 3.942 40 5 JHBBRN CCOc1cc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(OCC)c1OCC ZINC000008902400 554796351 /nfs/dbraw/zinc/79/63/51/554796351.db2.gz UJELPBHUJKQJIZ-UHFFFAOYSA-N 0 0 459.499 3.880 40 5 JHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000009011861 554864469 /nfs/dbraw/zinc/86/44/69/554864469.db2.gz YVABIXBWEIIYHN-LWSSLDFYSA-N 0 0 498.470 3.762 40 5 JHBBRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000009064681 554883092 /nfs/dbraw/zinc/88/30/92/554883092.db2.gz CPLRXZLKNBQOMF-CQSZACIVSA-N 0 0 458.540 3.777 40 5 JHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000009109105 554897454 /nfs/dbraw/zinc/89/74/54/554897454.db2.gz WCJWZSMIIAVBEH-KIHHCIJBSA-N 0 0 498.470 3.762 40 5 JHBBRN CCCCc1nc2c(ncc(NC(=O)N3CCOCC3)c2C)n1Cc1cccc([N+](=O)[O-])c1 ZINC000013500040 555435668 /nfs/dbraw/zinc/43/56/68/555435668.db2.gz UMPZCZUOQXCETB-UHFFFAOYSA-N 0 0 452.515 3.903 40 5 JHBBRN O=[N+]([O-])c1ccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)c3ccccc3F)CC2)cc1 ZINC000013504687 555464404 /nfs/dbraw/zinc/46/44/04/555464404.db2.gz IARMZZTYXNKRGU-DEOSSOPVSA-N 0 0 473.512 3.680 40 5 JHBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cccc([N+](=O)[O-])c3)sc2=N1 ZINC000013591018 555525439 /nfs/dbraw/zinc/52/54/39/555525439.db2.gz UBDMRCUDVWTBNT-GOOXQAOHSA-N 0 0 496.548 3.782 40 5 JHBBRN CCCCN1C(=O)[C@H]2[C@H]3C=C(C)c4ccccc4N3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000013681608 555574567 /nfs/dbraw/zinc/57/45/67/555574567.db2.gz ZVLKSWDBHGRLPT-KAOXLYBCSA-N 0 0 459.502 3.853 40 5 JHBBRN Cc1ccccc1OCC(=O)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010042468 555606795 /nfs/dbraw/zinc/60/67/95/555606795.db2.gz IEHLHGWLRPSBRW-RUZDIDTESA-N 0 0 462.458 3.566 40 5 JHBBRN COC(=O)c1cccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1C ZINC000014411058 555810101 /nfs/dbraw/zinc/81/01/01/555810101.db2.gz WPHPAXOBKTZMNQ-UHFFFAOYSA-N 0 0 483.502 3.524 40 5 JHBBRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1OC ZINC000014412857 555812023 /nfs/dbraw/zinc/81/20/23/555812023.db2.gz TWMLOTCTBPYVLS-UHFFFAOYSA-N 0 0 485.518 3.754 40 5 JHBBRN O=C([C@H]1[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)NC(=O)N[C@]1(O)c1ccccc1)C(F)(F)F ZINC000017467088 556261482 /nfs/dbraw/zinc/26/14/82/556261482.db2.gz BUHIPWQUUOSWCH-OPYAIIAOSA-N 0 0 475.379 3.802 40 5 JHBBRN O=[N+]([O-])c1ccc(N2CCN([C@@H](c3cccs3)c3nnnn3Cc3ccccc3)CC2)cc1 ZINC000019372854 556347422 /nfs/dbraw/zinc/34/74/22/556347422.db2.gz ACIVBJJPRIZSDG-QFIPXVFZSA-N 0 0 461.551 3.603 40 5 JHBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000032124802 556427856 /nfs/dbraw/zinc/42/78/56/556427856.db2.gz OQCGXJLHDPRZGG-WQRHYEAKSA-N 0 0 473.532 3.663 40 5 JHBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000032125401 556429817 /nfs/dbraw/zinc/42/98/17/556429817.db2.gz JBMIKJVLLARERH-UHFFFAOYSA-N 0 0 460.490 3.575 40 5 JHBBRN CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1[N+](=O)[O-] ZINC000034700933 569649157 /nfs/dbraw/zinc/64/91/57/569649157.db2.gz ZMGZGEFVHWVFRL-UHFFFAOYSA-N 0 0 483.525 3.854 40 5 JHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@@H]12 ZINC000035053016 569674037 /nfs/dbraw/zinc/67/40/37/569674037.db2.gz QUNSVPWAELURHX-RBSFLKMASA-N 0 0 455.473 3.537 40 5 JHBBRN O=C1[C@@H]2[C@H]3C[C@H]([C@H]4ON=C(c5ccc([N+](=O)[O-])cc5)[C@@H]43)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000036576209 569776788 /nfs/dbraw/zinc/77/67/88/569776788.db2.gz PAIAUZTXCXMHPH-PHVPAECOSA-N 0 0 453.454 3.923 40 5 JHBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000101167770 569785678 /nfs/dbraw/zinc/78/56/78/569785678.db2.gz ABYRMNMCPPHIFQ-NJYVYQBISA-N 0 0 460.402 3.554 40 5 JHBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000102766022 569822844 /nfs/dbraw/zinc/82/28/44/569822844.db2.gz URRNKCCGLYISGN-XPWALMASSA-N 0 0 493.447 3.802 40 5 JHBBRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 ZINC000108165661 569858933 /nfs/dbraw/zinc/85/89/33/569858933.db2.gz WSHGDFQHCRAVJS-UHFFFAOYSA-N 0 0 471.491 3.730 40 5 JHBBRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3ON2c2ccccc2C)cc1 ZINC000138598126 569865973 /nfs/dbraw/zinc/86/59/73/569865973.db2.gz KLZMKBDOVNSZSV-RJGXRXQPSA-N 0 0 459.458 3.963 40 5 JHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000139052709 569866934 /nfs/dbraw/zinc/86/69/34/569866934.db2.gz PAEKZNVOVQUWEX-HOTGVXAUSA-N 0 0 484.852 3.665 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000222817541 569891851 /nfs/dbraw/zinc/89/18/51/569891851.db2.gz WTSOQGSHUCVCLG-HNNXBMFYSA-N 0 0 477.945 3.968 40 5 JHBBRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222988502 569896316 /nfs/dbraw/zinc/89/63/16/569896316.db2.gz RSXIMYHDXDGUET-KSFYIVLOSA-N 0 0 459.568 3.896 40 5 JHBBRN CC[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223726644 569921292 /nfs/dbraw/zinc/92/12/92/569921292.db2.gz LIJXGDOGUXWLDF-FQEVSTJZSA-N 0 0 477.583 3.632 40 5 JHBBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000223733629 569921544 /nfs/dbraw/zinc/92/15/44/569921544.db2.gz IUTOUUWHTUHSKJ-FGZHOGPDSA-N 0 0 465.535 3.706 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000224159576 569934893 /nfs/dbraw/zinc/93/48/93/569934893.db2.gz WWIXDGSKKBBFLW-UHFFFAOYSA-N 0 0 473.473 3.785 40 5 JHBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224401955 569943420 /nfs/dbraw/zinc/94/34/20/569943420.db2.gz CCEFFMXXFISGKM-OAQYLSRUSA-N 0 0 487.528 3.988 40 5 JHBBRN CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224518178 569947043 /nfs/dbraw/zinc/94/70/43/569947043.db2.gz OVZXDKOENCWJPA-NRFANRHFSA-N 0 0 459.568 3.780 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000224672612 569953158 /nfs/dbraw/zinc/95/31/58/569953158.db2.gz HXAHWRNJCAZXQA-SFHVURJKSA-N 0 0 469.538 3.848 40 5 JHBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224936838 569964088 /nfs/dbraw/zinc/96/40/88/569964088.db2.gz MGRPKSNQQSHAAS-NRFANRHFSA-N 0 0 487.553 3.570 40 5 JHBBRN CCc1ccc([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 ZINC000224965858 569965691 /nfs/dbraw/zinc/96/56/91/569965691.db2.gz CPNPTNMBZHFOHP-MRXNPFEDSA-N 0 0 463.556 3.589 40 5 JHBBRN O=C(COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000408605882 569971017 /nfs/dbraw/zinc/97/10/17/569971017.db2.gz NHJPVQXGHQVMLY-XCVCLJGOSA-N 0 0 492.366 3.883 40 5 JHBBRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(Cl)c1 ZINC000408619684 569977456 /nfs/dbraw/zinc/97/74/56/569977456.db2.gz IMGBOBWBWJKJQF-UHFFFAOYSA-N 0 0 455.920 3.653 40 5 JHBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225189587 569981360 /nfs/dbraw/zinc/98/13/60/569981360.db2.gz DUHHEYPHDXUMQW-FQEVSTJZSA-N 0 0 457.527 3.624 40 5 JHBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225220473 569983407 /nfs/dbraw/zinc/98/34/07/569983407.db2.gz RKUAIBSIZGNHDF-IBGZPJMESA-N 0 0 477.945 3.969 40 5 JHBBRN C[C@H](c1ccccc1)N1C[C@@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O ZINC000408639288 569988273 /nfs/dbraw/zinc/98/82/73/569988273.db2.gz FNKYNILKDNMYKP-AEFFLSMTSA-N 0 0 499.479 3.911 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2ccc(Cl)cc2Cl)CC1=O ZINC000408640997 569989159 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O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000408637432 569987423 /nfs/dbraw/zinc/98/74/23/569987423.db2.gz KJGCNMHQRWVCDA-IBGZPJMESA-N 0 0 488.452 3.593 40 5 JHBBRN O=C(COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1)c1ccccc1 ZINC000408637876 569987606 /nfs/dbraw/zinc/98/76/06/569987606.db2.gz AOWMUSVQZPCXPO-LJQANCHMSA-N 0 0 487.468 3.626 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(Cl)cc2Cl)CC1=O ZINC000408640998 569989153 /nfs/dbraw/zinc/98/91/53/569989153.db2.gz BYGHSGPWTBJXFY-NSHDSACASA-N 0 0 467.261 3.689 40 5 JHBBRN CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000408641465 569989343 /nfs/dbraw/zinc/98/93/43/569989343.db2.gz LRXQLHNRZXMOOJ-QGZVFWFLSA-N 0 0 469.494 3.942 40 5 JHBBRN COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)cc1 ZINC000408641868 569989538 /nfs/dbraw/zinc/98/95/38/569989538.db2.gz DGRNVXHGFJBSHN-SSKFGXFMSA-N 0 0 491.500 3.573 40 5 JHBBRN Cc1ccc(C)c(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)c1 ZINC000408647862 569992638 /nfs/dbraw/zinc/99/26/38/569992638.db2.gz XRIKJBGYQMQVNG-QGZVFWFLSA-N 0 0 499.479 3.971 40 5 JHBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225486159 569999138 /nfs/dbraw/zinc/99/91/38/569999138.db2.gz GQVSKZVTNNOHKR-YLJYHZDGSA-N 0 0 457.527 3.704 40 5 JHBBRN Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)c1 ZINC000408664221 570003038 /nfs/dbraw/zinc/00/30/38/570003038.db2.gz ODTMYVTXOYEIKF-KRWDZBQOSA-N 0 0 499.479 3.971 40 5 JHBBRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000408665135 570003663 /nfs/dbraw/zinc/00/36/63/570003663.db2.gz UOMOGHHQFFSEHP-UHFFFAOYSA-N 0 0 464.272 3.566 40 5 JHBBRN Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c(C)cc1Br ZINC000408670407 570007107 /nfs/dbraw/zinc/00/71/07/570007107.db2.gz PUJLAKJHAKVUHC-CQSZACIVSA-N 0 0 490.310 3.509 40 5 JHBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Br)cc1Cl ZINC000408672447 570008313 /nfs/dbraw/zinc/00/83/13/570008313.db2.gz ZDKZRNYKBGFREE-NSHDSACASA-N 0 0 496.701 3.546 40 5 JHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408676562 570010611 /nfs/dbraw/zinc/01/06/11/570010611.db2.gz ARZJLIFDZUXTCF-HOTGVXAUSA-N 0 0 486.868 3.889 40 5 JHBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000408683478 570013301 /nfs/dbraw/zinc/01/33/01/570013301.db2.gz LHZHJXPWBCXGSA-DKSSEZFCSA-N 0 0 483.908 3.910 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000225673635 570013905 /nfs/dbraw/zinc/01/39/05/570013905.db2.gz YEUQCJATNVGJEH-INIZCTEOSA-N 0 0 477.945 3.825 40 5 JHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000408687642 570014365 /nfs/dbraw/zinc/01/43/65/570014365.db2.gz URTRSNRRMHNMOW-RTBURBONSA-N 0 0 484.306 3.866 40 5 JHBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)cc1 ZINC000408688665 570014575 /nfs/dbraw/zinc/01/45/75/570014575.db2.gz WMCMTURKLQKVGB-IRXDYDNUSA-N 0 0 469.881 3.664 40 5 JHBBRN O=C1NC(=O)/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)N1 ZINC000408917108 570075646 /nfs/dbraw/zinc/07/56/46/570075646.db2.gz MUMJBWOAICKWPR-VGOFMYFVSA-N 0 0 497.099 3.879 40 5 JHBBRN CCOC1=C[C@@H](C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)CC=C1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408926594 570078592 /nfs/dbraw/zinc/07/85/92/570078592.db2.gz UUAMMVVSPXQKLS-AWEZNQCLSA-N 0 0 495.492 3.882 40 5 JHBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c([N+](=O)[O-])cc1OC ZINC000408928897 570079229 /nfs/dbraw/zinc/07/92/29/570079229.db2.gz FTHMPWVNTMBDOT-DJKKODMXSA-N 0 0 471.491 3.904 40 5 JHBBRN Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)c1 ZINC000409123422 570136738 /nfs/dbraw/zinc/13/67/38/570136738.db2.gz GYDLGQGZPYXRLZ-OAHLLOKOSA-N 0 0 468.539 3.562 40 5 JHBBRN CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409136343 570142504 /nfs/dbraw/zinc/14/25/04/570142504.db2.gz SNELPPATHFKRFK-HXUWFJFHSA-N 0 0 488.614 3.874 40 5 JHBBRN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000409179777 570158515 /nfs/dbraw/zinc/15/85/15/570158515.db2.gz UVRDSUDHKGEIHV-ZQFKLAOWSA-N 0 0 456.429 3.874 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O ZINC000260903940 570162968 /nfs/dbraw/zinc/16/29/68/570162968.db2.gz YEPLSQZCBHXEQH-GFCCVEGCSA-N 0 0 461.418 3.595 40 5 JHBBRN O=C(CN1C(=O)N/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1F ZINC000409214905 570171847 /nfs/dbraw/zinc/17/18/47/570171847.db2.gz YSEMIKGVCKJYGE-FYJGNVAPSA-N 0 0 490.447 3.844 40 5 JHBBRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@H](C)CO)n2)cccc1[N+](=O)[O-] ZINC000328955956 570179317 /nfs/dbraw/zinc/17/93/17/570179317.db2.gz AFDWAXCECDWNMK-GFCCVEGCSA-N 0 0 463.416 3.639 40 5 JHBBRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCCO)n2)cccc1[N+](=O)[O-] ZINC000329047875 570183008 /nfs/dbraw/zinc/18/30/08/570183008.db2.gz UHZPDRMDPHADPV-UHFFFAOYSA-N 0 0 463.416 3.641 40 5 JHBBRN Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cc(Br)ccc1O ZINC000408544998 570192685 /nfs/dbraw/zinc/19/26/85/570192685.db2.gz WSLSKDQQVJAHLE-UHFFFAOYSA-N 0 0 464.301 3.589 40 5 JHBBRN COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O ZINC000408548338 570194135 /nfs/dbraw/zinc/19/41/35/570194135.db2.gz GNKJSLFWCLKITQ-LZYBPNLTSA-N 0 0 480.260 3.546 40 5 JHBBRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000408558801 570199338 /nfs/dbraw/zinc/19/93/38/570199338.db2.gz UCJOJKPLYMDBPJ-UHFFFAOYSA-N 0 0 481.958 3.995 40 5 JHBBRN CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000409328453 570202960 /nfs/dbraw/zinc/20/29/60/570202960.db2.gz VQGADARKRKNRPU-UHFFFAOYSA-N 0 0 457.512 3.833 40 5 JHBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000408565625 570203501 /nfs/dbraw/zinc/20/35/01/570203501.db2.gz LOTABWZHCNNEPS-YLORPAJWSA-N 0 0 459.502 3.796 40 5 JHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3cc4ccccc4cc3OC)CC2)c([N+](=O)[O-])c1 ZINC000408571753 570204795 /nfs/dbraw/zinc/20/47/95/570204795.db2.gz FEJLYJSJBKUFSI-UHFFFAOYSA-N 0 0 463.490 3.896 40 5 JHBBRN COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408591379 570209195 /nfs/dbraw/zinc/20/91/95/570209195.db2.gz LSKADNDGEPUTIL-UHFFFAOYSA-N 0 0 485.518 3.754 40 5 JHBBRN Cc1nc2sc3c(c2c(N2CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC2)n1)CC[C@H](C)C3 ZINC000001357282 194101325 /nfs/dbraw/zinc/10/13/25/194101325.db2.gz OSTGDLQRNINRHA-AWEZNQCLSA-N 0 0 451.552 3.995 40 5 JHBBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)N2c4ccccc4C=C[C@@H]32)cc1 ZINC000103531486 130641930 /nfs/dbraw/zinc/64/19/30/130641930.db2.gz WTXABRIVQCVUTO-JBXUNAHCSA-N 0 0 494.507 3.932 40 5 JHBBRN COCCN(C(=O)COc1ccccc1[N+](=O)[O-])c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000006904816 523538515 /nfs/dbraw/zinc/53/85/15/523538515.db2.gz WRCXPLSZPSREMG-UHFFFAOYSA-N 0 0 473.507 3.794 40 5 JHBBRN O=C(c1cccnc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000020518799 526819741 /nfs/dbraw/zinc/81/97/41/526819741.db2.gz RRANEJOVMWVIMH-IYXIZZNPSA-N 0 0 490.516 3.948 40 5 JHBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccccc1Br ZINC000016449258 527458350 /nfs/dbraw/zinc/45/83/50/527458350.db2.gz YLUMLDDNEZWKIX-UHFFFAOYSA-N 0 0 483.775 3.848 40 5 JHBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000016399792 527459344 /nfs/dbraw/zinc/45/93/44/527459344.db2.gz QXORLRUTFZREEK-UHFFFAOYSA-N 0 0 454.430 3.577 40 5 JHBBRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000008831467 554722302 /nfs/dbraw/zinc/72/23/02/554722302.db2.gz YOCCUHSSUBCSNN-UHFFFAOYSA-N 0 0 454.464 3.884 40 5 JHBBRN CC1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 ZINC000008835732 554735153 /nfs/dbraw/zinc/73/51/53/554735153.db2.gz JVCALACBGPYJFE-UHFFFAOYSA-N 0 0 483.594 3.795 40 5 JHBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC000008902101 554795888 /nfs/dbraw/zinc/79/58/88/554795888.db2.gz ZHSRWTOJRJMZAI-UHFFFAOYSA-N 0 0 484.896 3.821 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000009064662 554883042 /nfs/dbraw/zinc/88/30/42/554883042.db2.gz CQOUNKKAYANWOK-UHFFFAOYSA-N 0 0 459.484 3.629 40 5 JHBBRN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000009209553 554978536 /nfs/dbraw/zinc/97/85/36/554978536.db2.gz JQXIKWXARFCYJB-YNJKOYDBSA-N 0 0 469.538 3.919 40 5 JHBBRN O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000013552772 555492960 /nfs/dbraw/zinc/49/29/60/555492960.db2.gz SWDHZKXTZGDMIV-LQWHRVPQSA-N 0 0 475.379 3.959 40 5 JHBBRN COc1ccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000013669994 555560215 /nfs/dbraw/zinc/56/02/15/555560215.db2.gz ZZHQTSPQFXSBPO-UHFFFAOYSA-N 0 0 497.573 3.856 40 5 JHBBRN Cc1ccccc1OCC(=O)NCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000010042565 555606836 /nfs/dbraw/zinc/60/68/36/555606836.db2.gz MDAKSXMOYZYPMO-UHFFFAOYSA-N 0 0 450.447 3.934 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(C)(=O)=O ZINC000010434122 555708901 /nfs/dbraw/zinc/70/89/01/555708901.db2.gz QVPJGYKEVSVVCA-UHFFFAOYSA-N 0 0 467.547 3.898 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cc(Br)cc(C)c1OC ZINC000014269679 555759825 /nfs/dbraw/zinc/75/98/25/555759825.db2.gz UCVJYQIHIWXCAT-UHFFFAOYSA-N 0 0 454.302 3.810 40 5 JHBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014272507 555770293 /nfs/dbraw/zinc/77/02/93/555770293.db2.gz KQJXQNARRUFJCA-UHFFFAOYSA-N 0 0 455.452 3.715 40 5 JHBBRN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014274406 555776489 /nfs/dbraw/zinc/77/64/89/555776489.db2.gz BCXJKHIMBIGLNF-UHFFFAOYSA-N 0 0 489.985 3.812 40 5 JHBBRN CC1=C(C(=O)Nc2ccccn2)C(c2ccccc2[N+](=O)[O-])C(C(=O)Nc2ccccn2)=C(C)N1 ZINC000020568707 555822015 /nfs/dbraw/zinc/82/20/15/555822015.db2.gz HPRKPHKFXCAQRU-UHFFFAOYSA-N 0 0 470.489 3.897 40 5 JHBBRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000022531449 555932143 /nfs/dbraw/zinc/93/21/43/555932143.db2.gz HBXHFCFHUIYXPD-UHFFFAOYSA-N 0 0 451.302 3.833 40 5 JHBBRN O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1Cc2[nH]cnc2CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000015676367 555937325 /nfs/dbraw/zinc/93/73/25/555937325.db2.gz HADGPARURTVOAZ-FQEVSTJZSA-N 0 0 459.428 3.580 40 5 biogenic,in-vitro JHBBRN COC(=O)c1cccc(C(=O)OC)c1Oc1c([N+](=O)[O-])ccc(CC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000012364995 555960215 /nfs/dbraw/zinc/96/02/15/555960215.db2.gz NIAMSJHHNJJSOL-UHFFFAOYSA-N 0 0 490.421 3.753 40 5 JHBBRN 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570158933 /nfs/dbraw/zinc/15/89/33/570158933.db2.gz WVPBJNRQJYGHSA-UHFFFAOYSA-N 0 0 477.385 3.669 40 5 JHBBRN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C(C)=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000409181052 570159205 /nfs/dbraw/zinc/15/92/05/570159205.db2.gz ZRJKOVIFLCVXBL-IOXNAGQWSA-N 0 0 496.475 3.660 40 5 JHBBRN CC[C@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260917216 570163852 /nfs/dbraw/zinc/16/38/52/570163852.db2.gz CSRXIZJPWRBETH-YLJYHZDGSA-N 0 0 477.583 3.951 40 5 JHBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409198769 570164386 /nfs/dbraw/zinc/16/43/86/570164386.db2.gz FFWDATIHGRAEOD-IUXPMGMMSA-N 0 0 475.866 3.694 40 5 JHBBRN O=C(CN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccccc1F ZINC000409208576 570168343 /nfs/dbraw/zinc/16/83/43/570168343.db2.gz GWTBCTPKSVDLEI-WQRHYEAKSA-N 0 0 450.382 3.525 40 5 JHBBRN CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000408551929 570195338 /nfs/dbraw/zinc/19/53/38/570195338.db2.gz JYNZZPAAMUZYLO-UHFFFAOYSA-N 0 0 461.475 3.664 40 5 JHBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000408565627 570203475 /nfs/dbraw/zinc/20/34/75/570203475.db2.gz LOTABWZHCNNEPS-YQIFXUADSA-N 0 0 459.502 3.796 40 5 JHBBRN Cc1c(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000408586155 570208113 /nfs/dbraw/zinc/20/81/13/570208113.db2.gz ALAATOPSJNHOSD-MRXNPFEDSA-N 0 0 461.540 3.920 40 5 JHBBRN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1OC ZINC000020760010 195217458 /nfs/dbraw/zinc/21/74/58/195217458.db2.gz XOLKSMBDGJBICA-UHFFFAOYSA-N 0 0 464.887 3.970 40 5 JHBBRN O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000021124545 195280444 /nfs/dbraw/zinc/28/04/44/195280444.db2.gz GSKAQBKIWNMHEH-UHFFFAOYSA-N 0 0 456.808 3.711 40 5 JHBBRN CC(C)Nc1cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] ZINC000013633091 519741381 /nfs/dbraw/zinc/74/13/81/519741381.db2.gz VICODWHBTQVELO-UHFFFAOYSA-N 0 0 483.388 3.689 40 5 JHBBRN COc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1Cl ZINC000016226833 523681878 /nfs/dbraw/zinc/68/18/78/523681878.db2.gz RGOYCPMBPNZPFX-UHFFFAOYSA-N 0 0 469.350 3.747 40 5 JHBBRN Cc1ccc(CN(C)C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000020459686 524365853 /nfs/dbraw/zinc/36/58/53/524365853.db2.gz ZZHSGVOHHQWCNM-UHFFFAOYSA-N 0 0 453.520 3.757 40 5 JHBBRN COc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022429741 525135503 /nfs/dbraw/zinc/13/55/03/525135503.db2.gz JVLKQZWAQDXTMS-QGZVFWFLSA-N 0 0 469.519 3.676 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](c1ccccc1)c1ccccc1C)S(C)(=O)=O ZINC000022523669 525465412 /nfs/dbraw/zinc/46/54/12/525465412.db2.gz CNELYKHGELKBNR-DEOSSOPVSA-N 0 0 483.546 3.584 40 5 JHBBRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000020043156 525890447 /nfs/dbraw/zinc/89/04/47/525890447.db2.gz DCAYLBBDPMKTJV-SFHVURJKSA-N 0 0 453.520 3.976 40 5 JHBBRN Cc1ccc([C@H](NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020486093 525964517 /nfs/dbraw/zinc/96/45/17/525964517.db2.gz IPEZBLBXRLUIRV-XMMPIXPASA-N 0 0 467.547 3.883 40 5 JHBBRN O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)[N+](=O)[O-])c1ccccc1 ZINC000004804566 526416277 /nfs/dbraw/zinc/41/62/77/526416277.db2.gz RIIMLTMEEZRGCN-UHFFFAOYSA-N 0 0 463.442 3.573 40 5 JHBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)NC6CC6)ccc5n(c43)c(=O)c2c1OC ZINC000008792349 554685843 /nfs/dbraw/zinc/68/58/43/554685843.db2.gz GNJJEFDXDDKRLM-CYBMUJFWSA-N 0 0 457.486 3.655 40 5 biogenic JHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000009109106 554897543 /nfs/dbraw/zinc/89/75/43/554897543.db2.gz WCJWZSMIIAVBEH-LWSSLDFYSA-N 0 0 498.470 3.762 40 5 JHBBRN O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009202863 554973271 /nfs/dbraw/zinc/97/32/71/554973271.db2.gz SMYFSOGJBHJGKP-BAEXCKCRSA-N 0 0 482.876 3.823 40 5 JHBBRN COc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000013503876 555462167 /nfs/dbraw/zinc/46/21/67/555462167.db2.gz OZRPZKVUSCFQMD-HSZRJFAPSA-N 0 0 463.542 3.617 40 5 JHBBRN COc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000013668741 555558049 /nfs/dbraw/zinc/55/80/49/555558049.db2.gz ZTDQVVVBROCLBZ-UHFFFAOYSA-N 0 0 481.530 3.696 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000020051093 555620097 /nfs/dbraw/zinc/62/00/97/555620097.db2.gz CBNOOOJNCPMKDJ-UHFFFAOYSA-N 0 0 464.301 3.882 40 5 JHBBRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000010119918 555631782 /nfs/dbraw/zinc/63/17/82/555631782.db2.gz DILWTPUWYGSGKS-UHFFFAOYSA-N 0 0 465.495 3.622 40 5 JHBBRN COc1ccc(Cn2nnnc2[C@@H](c2cccs2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000020098378 555633129 /nfs/dbraw/zinc/63/31/29/555633129.db2.gz HVRXOWPHYTWYOQ-HSZRJFAPSA-N 0 0 491.577 3.611 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(C)(=O)=O ZINC000010434448 555709431 /nfs/dbraw/zinc/70/94/31/555709431.db2.gz YZXZTYOMYVXSQG-UHFFFAOYSA-N 0 0 465.837 3.980 40 5 JHBBRN COc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000014271014 555764630 /nfs/dbraw/zinc/76/46/30/555764630.db2.gz RFQMKGMZXZTABK-UHFFFAOYSA-N 0 0 459.484 3.629 40 5 JHBBRN O=C(NC(=S)Nc1ccc(I)cn1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014275600 555781142 /nfs/dbraw/zinc/78/11/42/555781142.db2.gz GIPUEQFSQXPZSM-UHFFFAOYSA-N 0 0 494.270 3.981 40 5 JHBBRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000014276731 555784159 /nfs/dbraw/zinc/78/41/59/555784159.db2.gz IVMYBFHRIHLANO-UHFFFAOYSA-N 0 0 489.985 3.742 40 5 JHBBRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000020411808 555789306 /nfs/dbraw/zinc/78/93/06/555789306.db2.gz CDSYELVDRHUEBO-UHFFFAOYSA-N 0 0 470.507 3.859 40 5 JHBBRN O=C(Cn1cc([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n1)NCCc1ccc(Cl)cc1 ZINC000020530660 555798192 /nfs/dbraw/zinc/79/81/92/555798192.db2.gz IEIXKSYKSYNBPF-UHFFFAOYSA-N 0 0 450.886 3.656 40 5 JHBBRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000022248978 555899233 /nfs/dbraw/zinc/89/92/33/555899233.db2.gz FIXHHRLYAZYRSF-UHFFFAOYSA-N 0 0 455.920 3.605 40 5 JHBBRN O=C([C@H]1[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)NC(=O)N[C@@]1(O)c1ccccc1)C(F)(F)F ZINC000017467085 556261405 /nfs/dbraw/zinc/26/14/05/556261405.db2.gz BUHIPWQUUOSWCH-DBXWQHBBSA-N 0 0 475.379 3.802 40 5 JHBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000018190139 556300776 /nfs/dbraw/zinc/30/07/76/556300776.db2.gz FDRVSJNOHWSSMY-VABKMULXSA-N 0 0 493.447 3.802 40 5 JHBBRN Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000030751311 556371201 /nfs/dbraw/zinc/37/12/01/556371201.db2.gz JUXXSAIOZPTIIJ-UHFFFAOYSA-N 0 0 461.521 3.646 40 5 JHBBRN O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000032124801 556427872 /nfs/dbraw/zinc/42/78/72/556427872.db2.gz OCKYGTFGQNQRGB-YVLHZVERSA-N 0 0 461.477 3.824 40 5 JHBBRN O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)cc1 ZINC000032508692 556443569 /nfs/dbraw/zinc/44/35/69/556443569.db2.gz XRCIDIDUFSYNLX-MSOLQXFVSA-N 0 0 451.957 3.519 40 5 JHBBRN Cc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 ZINC000033861907 569636508 /nfs/dbraw/zinc/63/65/08/569636508.db2.gz JJVWOIVZCSEAQW-UHFFFAOYSA-N 0 0 467.595 3.730 40 5 JHBBRN CCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000033881132 569636929 /nfs/dbraw/zinc/63/69/29/569636929.db2.gz RLQDDVOVXDUXPP-UHFFFAOYSA-N 0 0 462.959 3.874 40 5 JHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@H]21 ZINC000035053010 569674041 /nfs/dbraw/zinc/67/40/41/569674041.db2.gz QUNSVPWAELURHX-ZNMIVQPWSA-N 0 0 455.473 3.537 40 5 JHBBRN O=C(c1ccccn1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035852042 569716822 /nfs/dbraw/zinc/71/68/22/569716822.db2.gz ATMIMTQWQRBXKU-NMOFPLQQSA-N 0 0 472.526 3.809 40 5 JHBBRN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101164957 569785441 /nfs/dbraw/zinc/78/54/41/569785441.db2.gz KFACZZMHGZERSN-FKBYEOEOSA-N 0 0 474.429 3.863 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2O)n1 ZINC000038159910 569799591 /nfs/dbraw/zinc/79/95/91/569799591.db2.gz PHWKGHAERNHNQL-UHFFFAOYSA-N 0 0 464.301 3.887 40 5 JHBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@H]2c1ccc(Br)cc1 ZINC000102697528 569816087 /nfs/dbraw/zinc/81/60/87/569816087.db2.gz BYKKAIQZBYCVGK-FGTMMUONSA-N 0 0 491.729 3.546 40 5 JHBBRN O=c1c2cc3c(ccn(-c4nc(SCc5ccccc5)n[nH]4)c3=O)nc2ccn1Cc1ccco1 ZINC000040398960 569826003 /nfs/dbraw/zinc/82/60/03/569826003.db2.gz MKLLGPGCPQBSCA-UHFFFAOYSA-N 0 0 482.525 3.752 40 5 JHBBRN CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn([C@H]4CCC[C@@H](C)[C@@H]4C)c(=O)c3cc2c1=O ZINC000040399103 569826063 /nfs/dbraw/zinc/82/60/63/569826063.db2.gz DXYGBDQZALLMAL-WIEQDCTASA-N 0 0 475.549 3.906 40 5 JHBBRN CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn([C@@H]4CCC[C@H](C)[C@@H]4C)c(=O)c3cc2c1=O ZINC000040399100 569826247 /nfs/dbraw/zinc/82/62/47/569826247.db2.gz DXYGBDQZALLMAL-VFCRVFHLSA-N 0 0 475.549 3.906 40 5 JHBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OC(C)(C)C ZINC000107786988 569857399 /nfs/dbraw/zinc/85/73/99/569857399.db2.gz FDMKDWLUZIKTFF-DHDCSXOGSA-N 0 0 487.465 3.643 40 5 JHBBRN CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000138652225 569866149 /nfs/dbraw/zinc/86/61/49/569866149.db2.gz RANZAPAAZAYCBV-PMACEKPBSA-N 0 0 481.892 3.830 40 5 JHBBRN O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000169703573 569871509 /nfs/dbraw/zinc/87/15/09/569871509.db2.gz SWDHZKXTZGDMIV-WFXMLNOXSA-N 0 0 475.379 3.959 40 5 JHBBRN COc1ccc(OC)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000197760722 569873767 /nfs/dbraw/zinc/87/37/67/569873767.db2.gz AHRGXWKASBTMBU-UHFFFAOYSA-N 0 0 485.518 3.754 40 5 JHBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000217410917 569879972 /nfs/dbraw/zinc/87/99/72/569879972.db2.gz HVSLJCNNKSPPCA-HBMCJLEFSA-N 0 0 460.402 3.554 40 5 JHBBRN CC[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222810191 569891683 /nfs/dbraw/zinc/89/16/83/569891683.db2.gz PSFFPAYKFIQQGV-OAQYLSRUSA-N 0 0 455.536 3.917 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1cccc2ccccc21)S(C)(=O)=O ZINC000222888153 569893647 /nfs/dbraw/zinc/89/36/47/569893647.db2.gz CAFRLJMGLXXGFN-UHFFFAOYSA-N 0 0 455.536 3.919 40 5 JHBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)o2)c1 ZINC000223208762 569903514 /nfs/dbraw/zinc/90/35/14/569903514.db2.gz MBUFFCNIFHUOSN-RPWUZVMVSA-N 0 0 493.589 3.945 40 5 JHBBRN CC[C@@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223265834 569905391 /nfs/dbraw/zinc/90/53/91/569905391.db2.gz CDAVUMXXPKFBAB-AWEZNQCLSA-N 0 0 487.629 3.686 40 5 JHBBRN COC(=O)CSc1nnc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)s1 ZINC000223320991 569907411 /nfs/dbraw/zinc/90/74/11/569907411.db2.gz HXJDXTYMVUAFMD-LFIBNONCSA-N 0 0 456.505 3.891 40 5 JHBBRN C[C@@H](CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000223525757 569914609 /nfs/dbraw/zinc/91/46/09/569914609.db2.gz NLYUIWQZQKZZND-SFHVURJKSA-N 0 0 453.520 3.710 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1nnc(-c2ccccc2)s1)S(C)(=O)=O ZINC000223591697 569917139 /nfs/dbraw/zinc/91/71/39/569917139.db2.gz SLSWDIVHORQMQW-UHFFFAOYSA-N 0 0 475.552 3.607 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCOc1ccccc1C(C)(C)C)S(C)(=O)=O ZINC000223723927 569921218 /nfs/dbraw/zinc/92/12/18/569921218.db2.gz TVDDLUWCEXKTGK-KRWDZBQOSA-N 0 0 477.583 3.550 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000223813212 569924094 /nfs/dbraw/zinc/92/40/94/569924094.db2.gz BJMDWHORNLYYHI-GOSISDBHSA-N 0 0 469.538 3.767 40 5 JHBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000224273458 569938847 /nfs/dbraw/zinc/93/88/47/569938847.db2.gz BKTAXNTUYVRJBG-INIZCTEOSA-N 0 0 477.945 3.825 40 5 JHBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224346284 569941406 /nfs/dbraw/zinc/94/14/06/569941406.db2.gz SPACEAUMGSXUSO-SFHVURJKSA-N 0 0 463.918 3.579 40 5 JHBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224549407 569948043 /nfs/dbraw/zinc/94/80/43/569948043.db2.gz DDOIFNUGWPEXLK-HXUWFJFHSA-N 0 0 457.527 3.562 40 5 JHBBRN CC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224890615 569962034 /nfs/dbraw/zinc/96/20/34/569962034.db2.gz MMIJEEIUNWZKJH-MRXNPFEDSA-N 0 0 475.445 3.985 40 5 JHBBRN CS(=O)(=O)N(CCCC(=O)NCCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000224935388 569964044 /nfs/dbraw/zinc/96/40/44/569964044.db2.gz JNALTFWMLPQJNI-UHFFFAOYSA-N 0 0 474.366 3.807 40 5 JHBBRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1Cl ZINC000408617928 569976426 /nfs/dbraw/zinc/97/64/26/569976426.db2.gz FDRKKODKHDWXOI-OAHLLOKOSA-N 0 0 481.958 3.995 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1Oc1ccccc1)S(C)(=O)=O ZINC000408630601 569982428 /nfs/dbraw/zinc/98/24/28/569982428.db2.gz VNGFNDLVZNLKLL-UHFFFAOYSA-N 0 0 471.491 3.800 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccc(NC(C)=O)c1 ZINC000408637197 569987328 /nfs/dbraw/zinc/98/73/28/569987328.db2.gz HFMKFDMGVIEMQT-UHFFFAOYSA-N 0 0 470.511 3.571 40 5 JHBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408640348 569988774 /nfs/dbraw/zinc/98/87/74/569988774.db2.gz ATSVIVORHICHPF-UAOJZALGSA-N 0 0 483.908 3.910 40 5 JHBBRN CCc1ccccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O ZINC000408641217 569989240 /nfs/dbraw/zinc/98/92/40/569989240.db2.gz LFAXFVGEXOEVKA-QGZVFWFLSA-N 0 0 499.479 3.916 40 5 JHBBRN COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)cc1 ZINC000408641867 569989533 /nfs/dbraw/zinc/98/95/33/569989533.db2.gz DGRNVXHGFJBSHN-KNXBSLHKSA-N 0 0 491.500 3.573 40 5 JHBBRN Cc1cc(Br)ccc1NC(=O)CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408645885 569991571 /nfs/dbraw/zinc/99/15/71/569991571.db2.gz MHNJYWPZIHRBMU-UHFFFAOYSA-N 0 0 464.272 3.566 40 5 JHBBRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000408649528 569993363 /nfs/dbraw/zinc/99/33/63/569993363.db2.gz LDAHIXCTNHEIFU-PCCBWWKXSA-N 0 0 461.474 3.565 40 5 JHBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000408650313 569993652 /nfs/dbraw/zinc/99/36/52/569993652.db2.gz MHQYPQCOUCWIDH-LJQANCHMSA-N 0 0 489.440 3.949 40 5 JHBBRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408650749 569993853 /nfs/dbraw/zinc/99/38/53/569993853.db2.gz BNSBAWVQSLEAMI-ORYQWCPZSA-N 0 0 491.500 3.541 40 5 JHBBRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408651619 569994420 /nfs/dbraw/zinc/99/44/20/569994420.db2.gz NPIXEBNROYJPDJ-NJDAHSKKSA-N 0 0 463.490 3.789 40 5 JHBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000408652913 569995171 /nfs/dbraw/zinc/99/51/71/569995171.db2.gz PDHUBVJWDSLNGP-RFVSGWPVSA-N 0 0 481.892 3.686 40 5 JHBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000408652912 569995197 /nfs/dbraw/zinc/99/51/97/569995197.db2.gz PDHUBVJWDSLNGP-MMACOIQUSA-N 0 0 481.892 3.686 40 5 JHBBRN Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=C[C@H](C)[C@@H]3C2=O)cc1 ZINC000408654302 569996094 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ZINC000408824620 570052343 /nfs/dbraw/zinc/05/23/43/570052343.db2.gz IOXZAKPOPXOTKG-PRWBYUBPSA-N 0 0 497.960 3.668 40 5 JHBBRN Cn1c(=O)c2c(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c3c(nc2n(C)c1=O)-c1ccccc1[C@@H]3O ZINC000408990068 570093623 /nfs/dbraw/zinc/09/36/23/570093623.db2.gz VDSWOWCBWCWADP-QHCPKHFHSA-N 0 0 482.452 3.530 40 5 JHBBRN COCCCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000409001064 570096318 /nfs/dbraw/zinc/09/63/18/570096318.db2.gz GIKGRMHECWOSOC-DEOSSOPVSA-N 0 0 475.545 3.607 40 5 JHBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])C2=O)cc1 ZINC000409093805 570125903 /nfs/dbraw/zinc/12/59/03/570125903.db2.gz AFTPXBWDUOXXHA-VXLYETTFSA-N 0 0 487.490 3.686 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000409123720 570136866 /nfs/dbraw/zinc/13/68/66/570136866.db2.gz IHTILELNVZXGDG-UHFFFAOYSA-N 0 0 455.492 3.746 40 5 JHBBRN Cc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccccc3)C(C)C)n2C)cc1[N+](=O)[O-] ZINC000409162301 570152327 /nfs/dbraw/zinc/15/23/27/570152327.db2.gz ZSUUWRZLLIJZQJ-HXUWFJFHSA-N 0 0 482.566 3.890 40 5 JHBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409180419 570158857 /nfs/dbraw/zinc/15/88/57/570158857.db2.gz SGVIZMXWACYGBP-UHFFFAOYSA-N 0 0 461.386 3.969 40 5 JHBBRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000261364806 570168801 /nfs/dbraw/zinc/16/88/01/570168801.db2.gz NWAVXXIXNWQYJE-JOCHJYFZSA-O 0 0 476.494 3.940 40 5 JHBBRN O=C(CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O)Nc1ccccc1F ZINC000409211628 570170146 /nfs/dbraw/zinc/17/01/46/570170146.db2.gz NHTLTZCRFVDPCE-LPYMAVHISA-N 0 0 490.447 3.844 40 5 JHBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F ZINC000408563541 570202252 /nfs/dbraw/zinc/20/22/52/570202252.db2.gz MWUMVJLGTXMKLR-KRWDZBQOSA-N 0 0 488.216 3.624 40 5 JHBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCC ZINC000408570198 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ZINC000408678771 570011464 /nfs/dbraw/zinc/01/14/64/570011464.db2.gz CZKOXAYKXFWNJJ-PKOBYXMFSA-N 0 0 481.892 3.830 40 5 JHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000408678789 570011470 /nfs/dbraw/zinc/01/14/70/570011470.db2.gz DAWVORHONRVEDX-QZTJIDSGSA-N 0 0 484.852 3.665 40 5 JHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000408687608 570014280 /nfs/dbraw/zinc/01/42/80/570014280.db2.gz URTRSNRRMHNMOW-KDURUIRLSA-N 0 0 484.306 3.866 40 5 JHBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 ZINC000408687864 570014415 /nfs/dbraw/zinc/01/44/15/570014415.db2.gz VGZYKWOFCCLEAJ-DUXSXAKTSA-N 0 0 498.879 3.911 40 5 JHBBRN O=C(NC1=S=C(c2ccc([N+](=O)[O-])cc2)N=N1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408710509 570025248 /nfs/dbraw/zinc/02/52/48/570025248.db2.gz YJJXLAYZSKLYKN-UHFFFAOYSA-N 0 0 490.457 3.950 40 5 JHBBRN CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731456 570029233 /nfs/dbraw/zinc/02/92/33/570029233.db2.gz MTAWDSHHUPHTKS-NRFANRHFSA-N 0 0 471.535 3.928 40 5 JHBBRN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408781751 570041879 /nfs/dbraw/zinc/04/18/79/570041879.db2.gz FOHGLRSUIHZECZ-UHFFFAOYSA-N 0 0 476.551 3.937 40 5 JHBBRN O=C1NC(=O)/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)N1 ZINC000409045687 570108721 /nfs/dbraw/zinc/10/87/21/570108721.db2.gz HCRNZALERYUWGJ-VGOFMYFVSA-N 0 0 497.099 3.879 40 5 JHBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccccc2F)cc1 ZINC000409061920 570114686 /nfs/dbraw/zinc/11/46/86/570114686.db2.gz KACQSKBNHFXQHT-UHFFFAOYSA-N 0 0 457.483 3.872 40 5 JHBBRN COC(=O)C(=Cc1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC ZINC000409089349 570124346 /nfs/dbraw/zinc/12/43/46/570124346.db2.gz MCJQPVWPHRJWAA-UHFFFAOYSA-N 0 0 481.211 3.787 40 5 JHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)o1 ZINC000409101527 570128581 /nfs/dbraw/zinc/12/85/81/570128581.db2.gz XZKTZKXIDCSOMR-XDHOZWIPSA-N 0 0 476.445 3.703 40 5 JHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000409125941 570137865 /nfs/dbraw/zinc/13/78/65/570137865.db2.gz GFLJYCRUCPSGKS-UHFFFAOYSA-N 0 0 455.492 3.822 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000409126794 570138279 /nfs/dbraw/zinc/13/82/79/570138279.db2.gz GBSOIRSNIJSBHA-OAHLLOKOSA-N 0 0 468.539 3.736 40 5 JHBBRN COc1ccccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409131514 570140358 /nfs/dbraw/zinc/14/03/58/570140358.db2.gz YDGZAZJLWHTYPZ-FQEVSTJZSA-N 0 0 498.565 3.590 40 5 JHBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1C ZINC000409143415 570145605 /nfs/dbraw/zinc/14/56/05/570145605.db2.gz NDJVPIWHALKAJH-QSFXBCCZSA-N 0 0 488.614 3.637 40 5 JHBBRN CCn1c(SCC(=O)Nc2nccs2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409144901 570146404 /nfs/dbraw/zinc/14/64/04/570146404.db2.gz OOBBZZGCEQMQKP-MRXNPFEDSA-N 0 0 489.583 3.521 40 5 JHBBRN CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000409146172 570147002 /nfs/dbraw/zinc/14/70/02/570147002.db2.gz KAKCDFKPZKVFIB-HNNXBMFYSA-N 0 0 468.539 3.736 40 5 JHBBRN CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1=S ZINC000409156098 570150619 /nfs/dbraw/zinc/15/06/19/570150619.db2.gz KOCDENQTHASUHE-UHFFFAOYSA-N 0 0 468.539 3.528 40 5 JHBBRN CCN1C(=O)N/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O ZINC000409173153 570155737 /nfs/dbraw/zinc/15/57/37/570155737.db2.gz LCSFXQRCYXGELH-LZYBPNLTSA-N 0 0 476.283 3.858 40 5 JHBBRN CC[C@@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260917211 570163860 /nfs/dbraw/zinc/16/38/60/570163860.db2.gz CSRXIZJPWRBETH-XLIONFOSSA-N 0 0 477.583 3.951 40 5 JHBBRN CC[C@@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000260917482 570163953 /nfs/dbraw/zinc/16/39/53/570163953.db2.gz DLTKUQDDUJLVRN-KSFYIVLOSA-N 0 0 459.568 3.896 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000260945480 570165841 /nfs/dbraw/zinc/16/58/41/570165841.db2.gz VJPVSYZIPCPBPX-DLBZAZTESA-N 0 0 459.568 3.814 40 5 JHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000260945485 570165881 /nfs/dbraw/zinc/16/58/81/570165881.db2.gz VJPVSYZIPCPBPX-SJORKVTESA-N 0 0 459.568 3.814 40 5 JHBBRN CCN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409232567 570178408 /nfs/dbraw/zinc/17/84/08/570178408.db2.gz RGWYTFCUJYZLQE-MHWRWJLKSA-N 0 0 493.257 3.691 40 5 JHBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000408565410 570203334 /nfs/dbraw/zinc/20/33/34/570203334.db2.gz KLFMHNWXXXPPDY-YLORPAJWSA-N 0 0 477.492 3.935 40 5 JHBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1cccc(F)c1 ZINC000408565394 570203391 /nfs/dbraw/zinc/20/33/91/570203391.db2.gz KGJMDEKBABPRQW-YQIFXUADSA-N 0 0 477.492 3.935 40 5 JHBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OC ZINC000408569692 570204441 /nfs/dbraw/zinc/20/44/41/570204441.db2.gz XABLNNCRZMLGFU-HKBKIPCKSA-N 0 0 488.338 3.521 40 5 JHBBRN