smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000020799917 527555110 /nfs/dbraw/zinc/55/51/10/527555110.db2.gz GCVLQQFRTDXGFW-NSHDSACASA-N 0 0 411.422 2.022 40 5 HEBBRN COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c(OC)c1 ZINC000220024583 558825474 /nfs/dbraw/zinc/82/54/74/558825474.db2.gz OBFKVGYQVYRRKP-UHFFFAOYSA-N 0 0 423.447 2.325 40 5 HEBBRN CCOc1ccc(CNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000013649639 558850492 /nfs/dbraw/zinc/85/04/92/558850492.db2.gz BJKNOYBOXRDRKE-UHFFFAOYSA-N 0 0 421.475 2.384 40 5 HEBBRN COC(=O)c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000220032259 558945598 /nfs/dbraw/zinc/94/55/98/558945598.db2.gz OUEUUVKTXKOUMT-UHFFFAOYSA-N 0 0 421.431 2.095 40 5 HEBBRN COc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC ZINC000220233849 559019234 /nfs/dbraw/zinc/01/92/34/559019234.db2.gz IKSNOFNCWYHDBT-GFCCVEGCSA-N 0 0 423.447 2.405 40 5 HEBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000408575200 559219400 /nfs/dbraw/zinc/21/94/00/559219400.db2.gz SNQOZLGBOTTXFW-UHFFFAOYSA-N 0 0 422.507 2.341 40 5 HEBBRN O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(O)c(I)c2)[nH]1 ZINC000409333807 559247767 /nfs/dbraw/zinc/24/77/67/559247767.db2.gz JOZGWLHOWMTBIT-HNQUOIGGSA-N 0 0 401.116 2.277 40 5 HEBBRN CC1(C)O[C@@H]2[C@@H]3OC(C)(C)O[C@H]3[C@@H](COC(=O)c3ccc([N+](=O)[O-])cc3)O[C@H]2O1 ZINC000004855110 560611821 /nfs/dbraw/zinc/61/18/21/560611821.db2.gz IKRMVZVASOBSSJ-YCCFLXJFSA-N 0 0 409.391 2.148 40 5 HEBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1 ZINC000409103970 560675573 /nfs/dbraw/zinc/67/55/73/560675573.db2.gz XRQJBUSZURMTAF-NSIKDUERSA-N 0 0 424.369 2.163 40 5 HEBBRN O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)N1CCCCC1 ZINC000106770386 560893783 /nfs/dbraw/zinc/89/37/83/560893783.db2.gz YOBIWFPJXPJZGL-CHHVJCJISA-N 0 0 419.415 2.372 40 5 HEBBRN O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000219665040 568496770 /nfs/dbraw/zinc/49/67/70/568496770.db2.gz HZGXWYAEHXXTHK-UHFFFAOYSA-N 0 0 409.807 2.422 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 ZINC000020245747 568595597 /nfs/dbraw/zinc/59/55/97/568595597.db2.gz MYXGZGAAVCSLOT-UHFFFAOYSA-N 0 0 408.436 2.098 40 5 HEBBRN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1-n1ccnc1 ZINC000020530094 568625680 /nfs/dbraw/zinc/62/56/80/568625680.db2.gz HABAZNFIFYKLDV-UHFFFAOYSA-N 0 0 413.459 2.291 40 5 HEBBRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000057333402 568827159 /nfs/dbraw/zinc/82/71/59/568827159.db2.gz SESHRUDTMJNWEF-UHFFFAOYSA-N 0 0 415.402 2.236 40 5 HEBBRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008286444 568987447 /nfs/dbraw/zinc/98/74/47/568987447.db2.gz BMAOYVYWUUJKLF-UHFFFAOYSA-N 0 0 405.432 2.176 40 5 HEBBRN COc1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000035152290 569000886 /nfs/dbraw/zinc/00/08/86/569000886.db2.gz OZBMFFCPDVKRAI-UHFFFAOYSA-N 0 0 409.420 2.017 40 5 HEBBRN O=C(Sc1nc2cc([N+](=O)[O-])ccc2n1C(=O)c1cnccn1)c1cnccn1 ZINC000016431430 569050228 /nfs/dbraw/zinc/05/02/28/569050228.db2.gz CBYBAMGFSINDDH-UHFFFAOYSA-N 0 0 407.371 2.146 40 5 HEBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1N1C(=O)CCC1=O ZINC000224264328 569056699 /nfs/dbraw/zinc/05/66/99/569056699.db2.gz QJQQUKVVWYAXKT-UHFFFAOYSA-N 0 0 419.415 2.366 40 5 HEBBRN CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000224599537 569072413 /nfs/dbraw/zinc/07/24/13/569072413.db2.gz IRJBVIPHIKFUAW-UHFFFAOYSA-N 0 0 424.431 2.370 40 5 HEBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3N=CC=C[C@H]3[C@H]2C1=O ZINC000006922140 569182487 /nfs/dbraw/zinc/18/24/87/569182487.db2.gz MLVLTNRIXBWLPR-HZMVEIRTSA-N 0 0 410.430 2.232 40 5 HEBBRN Cc1ccnc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000017082184 569273121 /nfs/dbraw/zinc/27/31/21/569273121.db2.gz SEGFFBWRSFUZLH-UHFFFAOYSA-N 0 0 401.448 2.262 40 5 HEBBRN COC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224755601 569287401 /nfs/dbraw/zinc/28/74/01/569287401.db2.gz NAKVEPXEPSHJHX-UHFFFAOYSA-N 0 0 422.415 2.058 40 5 HEBBRN O=C(Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000006269550 569330311 /nfs/dbraw/zinc/33/03/11/569330311.db2.gz AYZIOVRTPPNSES-UHFFFAOYSA-N 0 0 410.474 2.323 40 5 HEBBRN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000007928412 569338483 /nfs/dbraw/zinc/33/84/83/569338483.db2.gz UQYRJUQRUJKXJZ-ZDUSSCGKSA-N 0 0 413.386 2.382 40 5 HEBBRN C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000008433873 569341023 /nfs/dbraw/zinc/34/10/23/569341023.db2.gz VQFYACFLFDNOII-GDBMZVCRSA-N 0 0 411.414 2.368 40 5 HEBBRN Cc1ccc(S(=O)(=O)NCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000008768603 569390287 /nfs/dbraw/zinc/39/02/87/569390287.db2.gz LTXIWYZDXXIWOV-UHFFFAOYSA-N 0 0 406.445 2.430 40 5 HEBBRN C[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccnc2)n1 ZINC000329067611 569425059 /nfs/dbraw/zinc/42/50/59/569425059.db2.gz YJEUKPGGXAVZNH-LLVKDONJSA-N 0 0 400.826 2.480 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 ZINC000038856402 571087885 /nfs/dbraw/zinc/08/78/85/571087885.db2.gz BBUPFMZHXCQWTO-KRWDZBQOSA-N 0 0 421.431 2.078 40 5 HEBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 ZINC000040399226 527375031 /nfs/dbraw/zinc/37/50/31/527375031.db2.gz DFBWYDIICKWMTI-CQSZACIVSA-N 0 0 420.385 2.486 40 5 HEBBRN COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000005193396 557639573 /nfs/dbraw/zinc/63/95/73/557639573.db2.gz QYBPVLNEFNLHNQ-CYBMUJFWSA-N 0 0 413.386 2.138 40 5 HEBBRN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccccc1 ZINC000008380944 557784566 /nfs/dbraw/zinc/78/45/66/557784566.db2.gz QRAXTPMBZOPHQS-YRXWBPOGSA-N 0 0 405.410 2.430 40 5 HEBBRN Cc1c(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220028929 558825457 /nfs/dbraw/zinc/82/54/57/558825457.db2.gz YNESAJYYFBUTMY-UHFFFAOYSA-N 0 0 421.431 2.079 40 5 HEBBRN C[C@H](C(=O)NCCSC(C)(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220408384 559074295 /nfs/dbraw/zinc/07/42/95/559074295.db2.gz XBTNSDGEBPOMIR-GFCCVEGCSA-N 0 0 403.526 2.397 40 5 HEBBRN CCOc1cccc(CNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220419530 559076905 /nfs/dbraw/zinc/07/69/05/559076905.db2.gz SEPBIHCYWPZJQB-AWEZNQCLSA-N 0 0 421.475 2.464 40 5 HEBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(OC)c1OC ZINC000408564487 559218623 /nfs/dbraw/zinc/21/86/23/559218623.db2.gz DERYXWKAQNFNFA-NQZBTDCJSA-N 0 0 413.430 2.234 40 5 HEBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(F)cc1 ZINC000408670213 559223620 /nfs/dbraw/zinc/22/36/20/559223620.db2.gz WXPZLRTYZHBCKX-GFCCVEGCSA-N 0 0 401.350 2.269 40 5 HEBBRN Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000408690690 559224588 /nfs/dbraw/zinc/22/45/88/559224588.db2.gz WLBZIUNUBNSJGI-UHFFFAOYSA-N 0 0 407.408 2.045 40 5 HEBBRN CC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000101407763 560793315 /nfs/dbraw/zinc/79/33/15/560793315.db2.gz NBKPSVBOLWSLHR-YDZRNGNQSA-N 0 0 404.382 2.062 40 5 HEBBRN CC[C@@H](C(=O)N[C@H](C)C(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260913118 568743499 /nfs/dbraw/zinc/74/34/99/568743499.db2.gz ZVYOXKPPGIFBER-OCCSQVGLSA-N 0 0 401.485 2.309 40 5 HEBBRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222436221 568758686 /nfs/dbraw/zinc/75/86/86/568758686.db2.gz IGCANWFCSXMXBX-HNNXBMFYSA-N 0 0 415.446 2.454 40 5 HEBBRN CS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000096519965 568758827 /nfs/dbraw/zinc/75/88/27/568758827.db2.gz PHECXICVONBCAI-IUCAKERBSA-N 0 0 405.597 2.000 40 5 HEBBRN COC(=O)c1ccc(C)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000218305907 568929121 /nfs/dbraw/zinc/92/91/21/568929121.db2.gz MEFMLTUCAMEJSQ-UHFFFAOYSA-N 0 0 421.431 2.095 40 5 HEBBRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000015718055 568976273 /nfs/dbraw/zinc/97/62/73/568976273.db2.gz VGMLLHPNSOHOLT-RMKNXTFCSA-N 0 0 401.444 2.448 40 5 HEBBRN COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)c1 ZINC000223761500 569031522 /nfs/dbraw/zinc/03/15/22/569031522.db2.gz XEEUKVBQSWMONG-UHFFFAOYSA-N 0 0 404.404 2.474 40 5 HEBBRN Cc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 ZINC000223776037 569031590 /nfs/dbraw/zinc/03/15/90/569031590.db2.gz XBXOIBGFAOBIPC-UHFFFAOYSA-N 0 0 421.475 2.173 40 5 HEBBRN Cc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000223776199 569031689 /nfs/dbraw/zinc/03/16/89/569031689.db2.gz ABRBOGUWKCLEKK-UHFFFAOYSA-N 0 0 421.475 2.173 40 5 HEBBRN O=C(NC(=S)NCc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017081874 569273043 /nfs/dbraw/zinc/27/30/43/569273043.db2.gz RWMBFAVOSSFWAP-UHFFFAOYSA-N 0 0 400.460 2.236 40 5 HEBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000224899952 569293696 /nfs/dbraw/zinc/29/36/96/569293696.db2.gz LWXPLDRJAQUXGG-UHFFFAOYSA-N 0 0 421.431 2.230 40 5 HEBBRN COC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225007080 569322071 /nfs/dbraw/zinc/32/20/71/569322071.db2.gz HJRAXSBRQYGDKU-UHFFFAOYSA-N 0 0 422.415 2.058 40 5 HEBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225085985 569325127 /nfs/dbraw/zinc/32/51/27/569325127.db2.gz LULYNLJFTHPIDH-UHFFFAOYSA-N 0 0 409.376 2.180 40 5 HEBBRN COc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000066019666 569393889 /nfs/dbraw/zinc/39/38/89/569393889.db2.gz IRTWOOPGOYOQAZ-UHFFFAOYSA-N 0 0 415.402 2.093 40 5 HEBBRN COc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1OC ZINC000010332780 569395668 /nfs/dbraw/zinc/39/56/68/569395668.db2.gz IXNLZAMBUMJOQD-UHFFFAOYSA-N 0 0 423.447 2.325 40 5 HEBBRN CC1=C(C(=O)OCCCO[N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1 ZINC000068606459 569399745 /nfs/dbraw/zinc/39/97/45/569399745.db2.gz WUWDFXPDAJGZPL-OAHLLOKOSA-N 0 0 422.350 2.205 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)Cc1ccc(C)cc1)S(C)(=O)=O ZINC000044839903 525463025 /nfs/dbraw/zinc/46/30/25/525463025.db2.gz OMYNBHKIYSNNOM-UHFFFAOYSA-N 0 0 421.475 2.336 40 5 HEBBRN CCOc1c(Cc2ccccc2)c(=O)n2c3ccccc3n3c2c1c(=O)n(C)c3=O ZINC000001622358 557276608 /nfs/dbraw/zinc/27/66/08/557276608.db2.gz PTPUOWXJUIDXMM-UHFFFAOYSA-N 0 0 401.422 2.192 40 5 HEBBRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC)Oc2ccccc21 ZINC000013683287 558854510 /nfs/dbraw/zinc/85/45/10/558854510.db2.gz LSJRBMKWXKCLSZ-QGZVFWFLSA-N 0 0 421.431 2.159 40 5 HEBBRN CS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000096519984 558963582 /nfs/dbraw/zinc/96/35/82/558963582.db2.gz PAQOSPNLCDYULN-IUCAKERBSA-N 0 0 405.597 2.000 40 5 HEBBRN CS(=O)(=O)[C@](Cl)(I)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000096519982 558963608 /nfs/dbraw/zinc/96/36/08/558963608.db2.gz PAQOSPNLCDYULN-RKDXNWHRSA-N 0 0 405.597 2.000 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000220384896 559068398 /nfs/dbraw/zinc/06/83/98/559068398.db2.gz WYXQUDUMZXNKPV-GFCCVEGCSA-N 0 0 421.431 2.425 40 5 HEBBRN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220409366 559074212 /nfs/dbraw/zinc/07/42/12/559074212.db2.gz RBPHLYHFKUUJJJ-GFCCVEGCSA-N 0 0 421.431 2.159 40 5 HEBBRN O=C(NCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1ccccc1 ZINC000004892421 559198069 /nfs/dbraw/zinc/19/80/69/559198069.db2.gz JBNKWZALIFLPMA-UHFFFAOYSA-N 0 0 410.430 2.202 40 5 HEBBRN O=C(Oc1cccc(N2C(=O)CCC2=O)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408654757 559223749 /nfs/dbraw/zinc/22/37/49/559223749.db2.gz GPSRRRMWQUZYPF-ZDUSSCGKSA-N 0 0 423.381 2.207 40 5 HEBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CCCO1 ZINC000044802946 560897321 /nfs/dbraw/zinc/89/73/21/560897321.db2.gz JISHUNWDDYUUEZ-MRXNPFEDSA-N 0 0 419.459 2.085 40 5 HEBBRN CCOC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225007812 568608596 /nfs/dbraw/zinc/60/85/96/568608596.db2.gz RCTMSPNARXRDJF-UHFFFAOYSA-N 0 0 422.415 2.124 40 5 HEBBRN CS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000096519961 568758821 /nfs/dbraw/zinc/75/88/21/568758821.db2.gz PHECXICVONBCAI-BDAKNGLRSA-N 0 0 405.597 2.000 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000218431918 568932494 /nfs/dbraw/zinc/93/24/94/568932494.db2.gz BIJVEBPIRXVZGX-UHFFFAOYSA-N 0 0 421.431 2.079 40 5 HEBBRN O=c1/c(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)sc2nc3ccccc3n12 ZINC000059305803 568950576 /nfs/dbraw/zinc/95/05/76/568950576.db2.gz NLYDLELEQXSGKI-LDADJPATSA-N 0 0 408.439 2.202 40 5 HEBBRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000016250172 569030327 /nfs/dbraw/zinc/03/03/27/569030327.db2.gz AMIXVKPJPVBITI-UHFFFAOYSA-N 0 0 411.411 2.310 40 5 HEBBRN COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000006591346 569068480 /nfs/dbraw/zinc/06/84/80/569068480.db2.gz KJMZYFFMEVWJLW-INIZCTEOSA-N 0 0 405.432 2.435 40 5 HEBBRN CCCCn1nnc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000017091434 569274118 /nfs/dbraw/zinc/27/41/18/569274118.db2.gz OMIINGUWFFWHOS-UHFFFAOYSA-N 0 0 418.483 2.108 40 5 HEBBRN CCOC(=O)[C@@H]1CC[C@@H](C(=O)OCC)N1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017139214 569275456 /nfs/dbraw/zinc/27/54/56/569275456.db2.gz SMYBRYXJNMYXQZ-RYUDHWBXSA-N 0 0 413.408 2.469 40 5 HEBBRN CCOC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224746063 569286882 /nfs/dbraw/zinc/28/68/82/569286882.db2.gz VUUYEAZBRZLRDG-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN COC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224777097 569289070 /nfs/dbraw/zinc/28/90/70/569289070.db2.gz YOGDJDNVEONYHU-UHFFFAOYSA-N 0 0 408.388 2.000 40 5 HEBBRN COC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224788438 569289553 /nfs/dbraw/zinc/28/95/53/569289553.db2.gz ADDJJEDAHMNOFB-UHFFFAOYSA-N 0 0 422.415 2.058 40 5 HEBBRN CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225002059 569321925 /nfs/dbraw/zinc/32/19/25/569321925.db2.gz SIDPCSCQWUXPNF-UHFFFAOYSA-N 0 0 424.431 2.370 40 5 HEBBRN CCOC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225000571 569321941 /nfs/dbraw/zinc/32/19/41/569321941.db2.gz WWQVUQFXXPDTBL-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN CCOC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225025974 569323725 /nfs/dbraw/zinc/32/37/25/569323725.db2.gz GKKVURPUYQHMCR-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225033198 569323819 /nfs/dbraw/zinc/32/38/19/569323819.db2.gz NICUPXIPYJLECM-UHFFFAOYSA-N 0 0 409.376 2.261 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O ZINC000006932255 569335318 /nfs/dbraw/zinc/33/53/18/569335318.db2.gz QIXSPCGDCCRZJH-CYBMUJFWSA-N 0 0 407.448 2.247 40 5 HEBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000007940112 569338781 /nfs/dbraw/zinc/33/87/81/569338781.db2.gz SOBNSCCQUPNREZ-CYBMUJFWSA-N 0 0 413.386 2.138 40 5 HEBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000007940078 569338783 /nfs/dbraw/zinc/33/87/83/569338783.db2.gz AKLDZXFIODIQCJ-MRXNPFEDSA-N 0 0 411.414 2.434 40 5 HEBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)c1 ZINC000008036354 569338847 /nfs/dbraw/zinc/33/88/47/569338847.db2.gz AQGGYZAGULAGON-CYBMUJFWSA-N 0 0 419.434 2.266 40 5 HEBBRN C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000008038738 569339065 /nfs/dbraw/zinc/33/90/65/569339065.db2.gz CSDAJIPTNWMUHE-GOEBONIOSA-N 0 0 411.414 2.368 40 5 HEBBRN CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](c4ccccc4)C[C@@H]32)C1=O ZINC000009128882 569391548 /nfs/dbraw/zinc/39/15/48/569391548.db2.gz IGIWMSQJNVGVPB-REDKUUPNSA-N 0 0 420.425 2.208 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O ZINC000010334500 569395632 /nfs/dbraw/zinc/39/56/32/569395632.db2.gz YJOMCYLWEJJTKF-UHFFFAOYSA-N 0 0 403.526 2.317 40 5 HEBBRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)O2 ZINC000038859777 571088441 /nfs/dbraw/zinc/08/84/41/571088441.db2.gz OQUYGVCFMPBDPG-KRWDZBQOSA-N 0 0 405.432 2.377 40 5 HEBBRN COc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000020489935 525135489 /nfs/dbraw/zinc/13/54/89/525135489.db2.gz HJYORWMEIDZQSW-CYBMUJFWSA-N 0 0 407.448 2.247 40 5 HEBBRN CS(=O)(=O)N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc21 ZINC000020452151 525186933 /nfs/dbraw/zinc/18/69/33/525186933.db2.gz QTXSOUXQTZQGKB-OAHLLOKOSA-N 0 0 411.823 2.414 40 5 HEBBRN Cc1c2c(c3ccccc3n2C)c(CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2cnccc12 ZINC000005486948 557657061 /nfs/dbraw/zinc/65/70/61/557657061.db2.gz JRIGURFJUAUMBB-JBJBFBLISA-N 0 0 408.454 2.144 40 5 HEBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000008036798 557770878 /nfs/dbraw/zinc/77/08/78/557770878.db2.gz SXNUYCQHGPNEME-LBPRGKRZSA-N 0 0 401.350 2.269 40 5 HEBBRN COc1ccc(CN(C)C(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220398103 559068991 /nfs/dbraw/zinc/06/89/91/559068991.db2.gz CVTIYPCLDNYGEH-AWEZNQCLSA-N 0 0 421.475 2.417 40 5 HEBBRN COc1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC ZINC000220402642 559074072 /nfs/dbraw/zinc/07/40/72/559074072.db2.gz LIZATFYCYGKVFH-GFCCVEGCSA-N 0 0 423.447 2.405 40 5 HEBBRN CCCCC(=O)NC(=S)N1CCN(c2ccc(C(=O)OCC)cc2[N+](=O)[O-])CC1 ZINC000408572123 559219149 /nfs/dbraw/zinc/21/91/49/559219149.db2.gz GUOGRCYCIRETSX-UHFFFAOYSA-N 0 0 422.507 2.485 40 5 HEBBRN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004981473 559223840 /nfs/dbraw/zinc/22/38/40/559223840.db2.gz BOQNALBMIRWPLB-BEFAXECRSA-N 0 0 402.495 2.484 40 5 HEBBRN CCOC(=O)C1=C(C)n2c(=O)c(=C(C)C)sc2=N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000408731231 559225783 /nfs/dbraw/zinc/22/57/83/559225783.db2.gz LIWVJCDRSZMCTQ-OAHLLOKOSA-N 0 0 401.444 2.177 40 5 HEBBRN COc1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2N2CCCN12 ZINC000102707003 560820205 /nfs/dbraw/zinc/82/02/05/560820205.db2.gz RGTVNUYCFJBVFN-CEXWTWQISA-N 0 0 408.414 2.139 40 5 HEBBRN CCOc1cccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000220035140 568501455 /nfs/dbraw/zinc/50/14/55/568501455.db2.gz IDUOWFUCIGUXQG-UHFFFAOYSA-N 0 0 421.475 2.384 40 5 HEBBRN O=C1CCCc2nc3nc(N4CCOCC4)[nH]c(=O)c3c(-c3cccc([N+](=O)[O-])c3)c21 ZINC000020673663 568639576 /nfs/dbraw/zinc/63/95/76/568639576.db2.gz VBRFLRKOJQCUOH-UHFFFAOYSA-N 0 0 421.413 2.249 40 5 HEBBRN Cc1ccc(S(=O)(=O)NCCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000225989733 568784567 /nfs/dbraw/zinc/78/45/67/568784567.db2.gz LRQJSIPSJZAYMJ-UHFFFAOYSA-N 0 0 403.460 2.030 40 5 HEBBRN CCOC(=O)c1sc2ncn(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c(=O)c2c1C ZINC000028828706 568809484 /nfs/dbraw/zinc/80/94/84/568809484.db2.gz UDAFGDDFRYTSNB-UHFFFAOYSA-N 0 0 416.415 2.490 40 5 HEBBRN O=C(C1=C2C(O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccccc1 ZINC000016038995 569028126 /nfs/dbraw/zinc/02/81/26/569028126.db2.gz QRAXTPMBZOPHQS-AKHDSKFASA-N 0 0 405.410 2.430 40 5 HEBBRN CNc1nnc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3c(N)scc32)s1 ZINC000016189508 569029688 /nfs/dbraw/zinc/02/96/88/569029688.db2.gz SZLZIVXHEWOSTO-UHFFFAOYSA-N 0 0 401.433 2.498 40 5 HEBBRN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000016399919 569041115 /nfs/dbraw/zinc/04/11/15/569041115.db2.gz KTKMRHCQLNNDLG-UHFFFAOYSA-N 0 0 405.432 2.397 40 5 HEBBRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc([N+](=O)[O-])c1OC(C)=O ZINC000006949895 569186525 /nfs/dbraw/zinc/18/65/25/569186525.db2.gz QPVISAFILUHTEQ-SXGWCWSVSA-N 0 0 411.395 2.299 40 5 HEBBRN C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000008038761 569339079 /nfs/dbraw/zinc/33/90/79/569339079.db2.gz CSDAJIPTNWMUHE-ZBFHGGJFSA-N 0 0 411.414 2.368 40 5 HEBBRN COc1ccccc1N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000068818943 569352523 /nfs/dbraw/zinc/35/25/23/569352523.db2.gz RCSHMPOTYUZOFQ-UHFFFAOYSA-N 0 0 400.435 2.373 40 5 HEBBRN COc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Cl)s2)cc1 ZINC000009283196 569392141 /nfs/dbraw/zinc/39/21/41/569392141.db2.gz BDEZEZBWEUNPDI-BEQMOXJMSA-N 0 0 416.842 2.499 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(C)(=O)=O ZINC000010449852 569396144 /nfs/dbraw/zinc/39/61/44/569396144.db2.gz GOWZPRPXBGCJNZ-CYBMUJFWSA-N 0 0 419.459 2.347 40 5 HEBBRN Cc1cc([N+](=O)[O-])c(SC(=S)N(C)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000012174489 569399754 /nfs/dbraw/zinc/39/97/54/569399754.db2.gz ZYQJDUSFOLYLJK-SECBINFHSA-N 0 0 405.479 2.307 40 5 HEBBRN CC1=C(C(=O)OCCCO[N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1 ZINC000068606456 569399771 /nfs/dbraw/zinc/39/97/71/569399771.db2.gz WUWDFXPDAJGZPL-HNNXBMFYSA-N 0 0 422.350 2.205 40 5 HEBBRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)O2 ZINC000038860256 571090310 /nfs/dbraw/zinc/09/03/10/571090310.db2.gz FXCQVNAUNHVOBW-KRWDZBQOSA-N 0 0 405.432 2.377 40 5 HEBBRN CS(=O)(=O)C(Br)(Br)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096518464 558963109 /nfs/dbraw/zinc/96/31/09/558963109.db2.gz XZTILVWJQCOIRL-UHFFFAOYSA-N 0 0 401.032 2.266 40 5 HEBBRN CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000096520100 558963957 /nfs/dbraw/zinc/96/39/57/558963957.db2.gz HAOBFEPXMLRSGD-UWVGGRQHSA-N 0 0 419.624 2.391 40 5 HEBBRN O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccccc1N1CCOCC1 ZINC000017090593 558819099 /nfs/dbraw/zinc/81/90/99/558819099.db2.gz AWUGCNLLVUJKDB-UHFFFAOYSA-N 0 0 416.459 2.323 40 5 HEBBRN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCOCC1 ZINC000408601369 559220521 /nfs/dbraw/zinc/22/05/21/559220521.db2.gz GBIQAHJUGDDMES-UHFFFAOYSA-N 0 0 419.459 2.485 40 5 HEBBRN O=[N+]([O-])c1cccnc1Sc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 ZINC000408608368 559221368 /nfs/dbraw/zinc/22/13/68/559221368.db2.gz WDGOZUXBTBPYGC-UHFFFAOYSA-N 0 0 411.447 2.328 40 5 HEBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000408641582 559222971 /nfs/dbraw/zinc/22/29/71/559222971.db2.gz CSPIIMRSFAMWTD-CYBMUJFWSA-N 0 0 413.342 2.282 40 5 HEBBRN CCS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000408703697 559225028 /nfs/dbraw/zinc/22/50/28/559225028.db2.gz XCOSVCJBKJPSLQ-UHFFFAOYSA-N 0 0 407.404 2.118 40 5 HEBBRN COc1ccc(OC)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000409312601 560708958 /nfs/dbraw/zinc/70/89/58/560708958.db2.gz MQOAFUYXBFVHTP-UHFFFAOYSA-N 0 0 423.447 2.325 40 5 HEBBRN CS(=O)(=O)[C@](Cl)(I)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000096519963 568758841 /nfs/dbraw/zinc/75/88/41/568758841.db2.gz PHECXICVONBCAI-RKDXNWHRSA-N 0 0 405.597 2.000 40 5 HEBBRN COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccc([N+](=O)[O-])cc3)C1=O)CC2 ZINC000022609338 568771737 /nfs/dbraw/zinc/77/17/37/568771737.db2.gz XMKMGKHAWSAYFA-QGZVFWFLSA-N 0 0 411.414 2.302 40 5 HEBBRN CCOc1ccccc1CNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000030859690 568897618 /nfs/dbraw/zinc/89/76/18/568897618.db2.gz QNOJDFIPLBMWHX-UHFFFAOYSA-N 0 0 421.475 2.384 40 5 HEBBRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000003517546 568911184 /nfs/dbraw/zinc/91/11/84/568911184.db2.gz UUESJBPDUUVQPS-JXMROGBWSA-N 0 0 415.471 2.450 40 5 HEBBRN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccccc1 ZINC000016038490 569028110 /nfs/dbraw/zinc/02/81/10/569028110.db2.gz WZBGXKYTPCROJF-NCXUSEDFSA-N 0 0 405.410 2.430 40 5 HEBBRN CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000225013174 569323437 /nfs/dbraw/zinc/32/34/37/569323437.db2.gz PBVXXCOIBJCZHV-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000008433888 569341016 /nfs/dbraw/zinc/34/10/16/569341016.db2.gz OUKXEGBCEJWNLJ-CYBMUJFWSA-N 0 0 413.386 2.138 40 5 HEBBRN COc1ccc(CN(C)C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000010366064 569344155 /nfs/dbraw/zinc/34/41/55/569344155.db2.gz YOLLDSLNCXRXOS-UHFFFAOYSA-N 0 0 421.475 2.336 40 5 HEBBRN CC[C@H](C(=O)N[C@@H](C)C(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225226735 569375616 /nfs/dbraw/zinc/37/56/16/569375616.db2.gz ZVYOXKPPGIFBER-GXTWGEPZSA-N 0 0 401.485 2.309 40 5 HEBBRN O=C(N1CCN(c2ccc(-n3cnnc3)cc2[N+](=O)[O-])CC1)C(Cl)(Cl)Cl ZINC000070461918 569410590 /nfs/dbraw/zinc/41/05/90/569410590.db2.gz VPHZWNRTYFKQGD-UHFFFAOYSA-N 0 0 419.656 2.194 40 5 HEBBRN C[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccccn2)n1 ZINC000329046444 569424118 /nfs/dbraw/zinc/42/41/18/569424118.db2.gz UAOJPQWDNXRRRQ-LLVKDONJSA-N 0 0 400.826 2.480 40 5 HEBBRN Cc1c(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cccc1[N+](=O)[O-] ZINC000038860282 571090148 /nfs/dbraw/zinc/09/01/48/571090148.db2.gz KBHVYEJCEUMXOT-QGZVFWFLSA-N 0 0 405.432 2.459 40 5 HEBBRN COC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000220024360 558825449 /nfs/dbraw/zinc/82/54/49/558825449.db2.gz RAFQNKRQBKMJMS-UHFFFAOYSA-N 0 0 421.431 2.095 40 5 HEBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000408575439 559218964 /nfs/dbraw/zinc/21/89/64/559218964.db2.gz UZRRZUSAUXGTKJ-UHFFFAOYSA-N 0 0 422.507 2.341 40 5 HEBBRN CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000408598874 559221438 /nfs/dbraw/zinc/22/14/38/559221438.db2.gz CAAYHOYIKWUQFT-UHFFFAOYSA-N 0 0 420.495 2.078 40 5 HEBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000408637218 559222665 /nfs/dbraw/zinc/22/26/65/559222665.db2.gz HQGQEGNFZUFYEQ-ZDUSSCGKSA-N 0 0 413.342 2.282 40 5 HEBBRN COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000408652652 559223745 /nfs/dbraw/zinc/22/37/45/559223745.db2.gz GKQDRYVHDMMCKR-ZDUSSCGKSA-N 0 0 413.386 2.138 40 5 HEBBRN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004981475 559223808 /nfs/dbraw/zinc/22/38/08/559223808.db2.gz BOQNALBMIRWPLB-KXBFYZLASA-N 0 0 402.495 2.484 40 5 HEBBRN COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000409101908 559240814 /nfs/dbraw/zinc/24/08/14/559240814.db2.gz ZMJHEIRWCBXEKG-OQLLNIDSSA-N 0 0 410.386 2.443 40 5 HEBBRN CC(=O)OCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 ZINC000004891510 560615425 /nfs/dbraw/zinc/61/54/25/560615425.db2.gz RPYNENVCSDNQLV-VBKFSLOCSA-N 0 0 401.375 2.028 40 5 HEBBRN COc1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2N2CCCN12 ZINC000100938431 560763311 /nfs/dbraw/zinc/76/33/11/560763311.db2.gz RGTVNUYCFJBVFN-QYZOEREBSA-N 0 0 408.414 2.139 40 5 HEBBRN COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220414826 568505481 /nfs/dbraw/zinc/50/54/81/568505481.db2.gz LHKBJWQBHXVBKU-LBPRGKRZSA-N 0 0 421.431 2.175 40 5 HEBBRN COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225077741 568612888 /nfs/dbraw/zinc/61/28/88/568612888.db2.gz DHOPDGBJOZNBFW-UHFFFAOYSA-N 0 0 424.431 2.289 40 5 HEBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222391344 568756803 /nfs/dbraw/zinc/75/68/03/568756803.db2.gz NUWUDYIYALZZRC-OAHLLOKOSA-N 0 0 415.446 2.454 40 5 HEBBRN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1N1C(=O)CCC1=O ZINC000223264271 568933827 /nfs/dbraw/zinc/93/38/27/568933827.db2.gz NATRDRIHPMYVLQ-UHFFFAOYSA-N 0 0 419.415 2.366 40 5 HEBBRN NC(=O)c1c(NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCC2 ZINC000016450518 569051426 /nfs/dbraw/zinc/05/14/26/569051426.db2.gz YROBMMVYHGWBJJ-UHFFFAOYSA-N 0 0 420.472 2.136 40 5 HEBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)cc1 ZINC000224864290 569293366 /nfs/dbraw/zinc/29/33/66/569293366.db2.gz PLJPWYQSJJMOFN-UHFFFAOYSA-N 0 0 424.431 2.370 40 5 HEBBRN CCOC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225003671 569321901 /nfs/dbraw/zinc/32/19/01/569321901.db2.gz HKNQIPWEQNGPTN-UHFFFAOYSA-N 0 0 408.388 2.082 40 5 HEBBRN CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225024378 569323746 /nfs/dbraw/zinc/32/37/46/569323746.db2.gz CVMJXBZZYSPISR-UHFFFAOYSA-N 0 0 424.431 2.370 40 5 HEBBRN CCOC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225080680 569325062 /nfs/dbraw/zinc/32/50/62/569325062.db2.gz XBZXXIVLGJQTOX-UHFFFAOYSA-N 0 0 422.415 2.390 40 5 HEBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1cccs1 ZINC000225136130 569328051 /nfs/dbraw/zinc/32/80/51/569328051.db2.gz FZQXEDZKHSMTFJ-UHFFFAOYSA-N 0 0 400.434 2.423 40 5 HEBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1[N+](=O)[O-] ZINC000007940089 569338820 /nfs/dbraw/zinc/33/88/20/569338820.db2.gz BTQVQUFRGVKMRT-ZDUSSCGKSA-N 0 0 401.375 2.027 40 5 HEBBRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1[N+](=O)[O-] ZINC000008410856 569340314 /nfs/dbraw/zinc/34/03/14/569340314.db2.gz FYKLARVKHRUOSO-UHFFFAOYSA-N 0 0 411.370 2.352 40 5 HEBBRN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000028209556 569350161 /nfs/dbraw/zinc/35/01/61/569350161.db2.gz FGNHLEYIAPOZHV-INIZCTEOSA-N 0 0 403.416 2.222 40 5 HEBBRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000033769803 569351311 /nfs/dbraw/zinc/35/13/11/569351311.db2.gz ILHOFPFQAYLTKX-LBPRGKRZSA-N 0 0 423.447 2.226 40 5 HEBBRN COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000109035922 569353802 /nfs/dbraw/zinc/35/38/02/569353802.db2.gz GLUUPGGIQCJCJK-LICLKQGHSA-N 0 0 411.370 2.240 40 5 HEBBRN CCOc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000010448725 569396131 /nfs/dbraw/zinc/39/61/31/569396131.db2.gz WEFSVONYHFMDNH-UHFFFAOYSA-N 0 0 407.448 2.076 40 5 HEBBRN CCCn1ccc2nc3ccn(-c4[nH]nc(C)c4C(=O)OCC)c(=O)c3cc2c1=O ZINC000040399086 521658629 /nfs/dbraw/zinc/65/86/29/521658629.db2.gz PSOLTTLBKTVWTJ-UHFFFAOYSA-N 0 0 407.430 2.319 40 5 HEBBRN CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000096520122 558963941 /nfs/dbraw/zinc/96/39/41/558963941.db2.gz RIUSNHBFTBYMHQ-UWVGGRQHSA-N 0 0 419.624 2.391 40 5 HEBBRN CCS(=O)(=O)[C@](Cl)(I)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000096520098 558963980 /nfs/dbraw/zinc/96/39/80/558963980.db2.gz HAOBFEPXMLRSGD-NXEZZACHSA-N 0 0 419.624 2.391 40 5 HEBBRN COC(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000220025241 558825525 /nfs/dbraw/zinc/82/55/25/558825525.db2.gz YBLGTYNCKGLCII-UHFFFAOYSA-N 0 0 421.431 2.095 40 5 HEBBRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)Oc2ccccc21 ZINC000013677712 558854354 /nfs/dbraw/zinc/85/43/54/558854354.db2.gz YYXHZTAPANSACW-QGZVFWFLSA-N 0 0 405.432 2.459 40 5 HEBBRN CCOc1cccc(CNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220419463 559076934 /nfs/dbraw/zinc/07/69/34/559076934.db2.gz SEPBIHCYWPZJQB-CQSZACIVSA-N 0 0 421.475 2.464 40 5 HEBBRN CC(=O)OCCCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 ZINC000004891566 559197991 /nfs/dbraw/zinc/19/79/91/559197991.db2.gz UQYSUPBEYUWHKJ-VBKFSLOCSA-N 0 0 401.375 2.028 40 5 HEBBRN CCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)C(=O)[O-])n[nH]1 ZINC000408630573 559222999 /nfs/dbraw/zinc/22/29/99/559222999.db2.gz BYXAMOVOWWQPCU-RVDMUPIBSA-N 0 0 418.479 2.245 40 5 HEBBRN COc1ccc(OC)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000409330985 559247765 /nfs/dbraw/zinc/24/77/65/559247765.db2.gz CARVBSXBCJYCSZ-UHFFFAOYSA-N 0 0 423.447 2.325 40 5 HEBBRN Cc1c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000409257076 560703231 /nfs/dbraw/zinc/70/32/31/560703231.db2.gz NWJGKBHNCPXNQT-UHFFFAOYSA-N 0 0 408.392 2.216 40 5 HEBBRN C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 ZINC000409332014 560710419 /nfs/dbraw/zinc/71/04/19/560710419.db2.gz GIVYRJYPQZIHKZ-GPHNJDIKSA-N 0 0 406.394 2.457 40 5 HEBBRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000101664968 560852212 /nfs/dbraw/zinc/85/22/12/560852212.db2.gz HNHULONBMOKPMS-CEXWTWQISA-N 0 0 408.414 2.139 40 5 HEBBRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000033751205 560858556 /nfs/dbraw/zinc/85/85/56/560858556.db2.gz GJYXQTYZTKUHAP-GFCCVEGCSA-N 0 0 423.447 2.226 40 5 HEBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224754673 568595330 /nfs/dbraw/zinc/59/53/30/568595330.db2.gz YVJTVUDVKMKWEG-UHFFFAOYSA-N 0 0 409.376 2.261 40 5 HEBBRN COc1ccc(CNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222361159 568751143 /nfs/dbraw/zinc/75/11/43/568751143.db2.gz RXAQQCXOJIJFGL-UHFFFAOYSA-N 0 0 421.475 2.466 40 5 HEBBRN Cc1c(N(CC(=O)NCCSC2CCCC2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000225600434 568775395 /nfs/dbraw/zinc/77/53/95/568775395.db2.gz VZTWBVDZNUSSGU-UHFFFAOYSA-N 0 0 415.537 2.461 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000225859612 568783274 /nfs/dbraw/zinc/78/32/74/568783274.db2.gz SNXDNGJOJDRITL-GFCCVEGCSA-N 0 0 423.447 2.405 40 5 HEBBRN CN(C)S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000218416152 568931453 /nfs/dbraw/zinc/93/14/53/568931453.db2.gz WNVPLLZAKNSVEM-UHFFFAOYSA-N 0 0 412.855 2.500 40 5 HEBBRN COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000016129788 569029256 /nfs/dbraw/zinc/02/92/56/569029256.db2.gz FWWDGJDXULTNNH-UHFFFAOYSA-N 0 0 408.388 2.277 40 5 HEBBRN CCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc([N+](=O)[O-])cc3)N2N1 ZINC000588226846 569246239 /nfs/dbraw/zinc/24/62/39/569246239.db2.gz CZLAUODSACJCFI-GOSISDBHSA-N 0 0 409.471 2.271 40 5 HEBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225008222 569322039 /nfs/dbraw/zinc/32/20/39/569322039.db2.gz OKOPMEJXSYGUCK-UHFFFAOYSA-N 0 0 409.376 2.261 40 5 HEBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225009317 569322193 /nfs/dbraw/zinc/32/21/93/569322193.db2.gz WWABWZUHRXTVSX-UHFFFAOYSA-N 0 0 409.376 2.180 40 5 HEBBRN CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225025139 569323696 /nfs/dbraw/zinc/32/36/96/569323696.db2.gz ITTQBSFHCZIDQM-UHFFFAOYSA-N 0 0 424.431 2.370 40 5 HEBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)NC2CCCCC2)c1 ZINC000007939813 569338715 /nfs/dbraw/zinc/33/87/15/569338715.db2.gz KXKZUWAGWWMTBZ-UHFFFAOYSA-N 0 0 407.423 2.314 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC[C@H](C)c1ccccc1)S(C)(=O)=O ZINC000260790501 569409744 /nfs/dbraw/zinc/40/97/44/569409744.db2.gz FOMDEQODPIVUME-AWEZNQCLSA-N 0 0 421.475 2.289 40 5 HEBBRN C[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000329017430 569423502 /nfs/dbraw/zinc/42/35/02/569423502.db2.gz NLZBLNYTTWIAIV-LLVKDONJSA-N 0 0 400.826 2.480 40 5 HEBBRN C[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000329017431 524800904 /nfs/dbraw/zinc/80/09/04/524800904.db2.gz NLZBLNYTTWIAIV-NSHDSACASA-N 0 0 400.826 2.480 40 5 HEBBRN Cc1c2ccccc2c(C[N@H+](C)CC(=O)NCC(=O)NCC(=O)[O-])c2ccccc12 ZINC000001678480 557280172 /nfs/dbraw/zinc/28/01/72/557280172.db2.gz LJYNTXFLLSEVAT-UHFFFAOYSA-N 0 0 407.470 2.050 40 5 HEBBRN Cc1c2c(c3ccccc3n2C)c(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2cnccc12 ZINC000005486946 557656993 /nfs/dbraw/zinc/65/69/93/557656993.db2.gz JRIGURFJUAUMBB-MKWLTTDUSA-N 0 0 408.454 2.144 40 5 HEBBRN CCNc1nc2nc(SCC(=O)c3cccc([N+](=O)[O-])c3)nn2c(NCC)n1 ZINC000004528833 558652124 /nfs/dbraw/zinc/65/21/24/558652124.db2.gz FNCNNPPMRKUEKQ-UHFFFAOYSA-N 0 0 402.440 2.266 40 5 HEBBRN COc1ccc(OC)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000220024758 558825398 /nfs/dbraw/zinc/82/53/98/558825398.db2.gz JDGNSIYWZDEQBU-UHFFFAOYSA-N 0 0 423.447 2.325 40 5 HEBBRN COc1ccccc1CNC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220384053 559068386 /nfs/dbraw/zinc/06/83/86/559068386.db2.gz ALXRWXLZNNEVJO-CQSZACIVSA-N 0 0 421.475 2.383 40 5 HEBBRN O=C(CNC(=O)C(=O)Nc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000408556079 559218176 /nfs/dbraw/zinc/21/81/76/559218176.db2.gz ZHHKHKLMTUOUSR-UHFFFAOYSA-N 0 0 421.207 2.051 40 5 HEBBRN Cc1cccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 ZINC000408617691 559221637 /nfs/dbraw/zinc/22/16/37/559221637.db2.gz BFGCIQZJVSPIPK-UHFFFAOYSA-N 0 0 401.448 2.262 40 5 HEBBRN O=C(NC(=S)NCc1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000408627594 559222131 /nfs/dbraw/zinc/22/21/31/559222131.db2.gz MDXFLKBHWUTEQX-UHFFFAOYSA-N 0 0 400.460 2.236 40 5 HEBBRN CCOC(=O)C1=C(C)n2c(=O)c(=C(C)C)sc2=N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000408731229 559225556 /nfs/dbraw/zinc/22/55/56/559225556.db2.gz LIWVJCDRSZMCTQ-HNNXBMFYSA-N 0 0 401.444 2.177 40 5 HEBBRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)cc1[N+](=O)[O-] ZINC000409226201 560698076 /nfs/dbraw/zinc/69/80/76/560698076.db2.gz PQPYSZOVJFKVET-UHFFFAOYSA-N 0 0 409.354 2.128 40 5 HEBBRN CC(=O)Nc1ccc(C(=O)NN2C(=O)CS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005663480 560729107 /nfs/dbraw/zinc/72/91/07/560729107.db2.gz DEDOOFKBHPSBOY-SFHVURJKSA-N 0 0 400.416 2.472 40 5 HEBBRN COC(=O)c1cc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000019933299 568585935 /nfs/dbraw/zinc/58/59/35/568585935.db2.gz ULGJSTURHGTOAF-UHFFFAOYSA-N 0 0 408.388 2.110 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O ZINC000222610048 568764788 /nfs/dbraw/zinc/76/47/88/568764788.db2.gz ZUVPZPZNPARYMU-UHFFFAOYSA-N 0 0 407.448 2.312 40 5 HEBBRN COc1ccc(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000022347929 568766659 /nfs/dbraw/zinc/76/66/59/568766659.db2.gz IVFQEMLDQYGHIA-UHFFFAOYSA-N 0 0 421.475 2.118 40 5 HEBBRN NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017089540 569274492 /nfs/dbraw/zinc/27/44/92/569274492.db2.gz QBDCRBFKJGDVMC-UHFFFAOYSA-N 0 0 413.459 2.421 40 5 HEBBRN CCOC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224777230 569289069 /nfs/dbraw/zinc/28/90/69/569289069.db2.gz AEYRUIYVAOBGQQ-UHFFFAOYSA-N 0 0 422.415 2.390 40 5 HEBBRN COc1ccc2c3nccc4c5cc(OCC(N)=O)ccc5n(c43)c(=O)c2c1OC ZINC000524732262 569291499 /nfs/dbraw/zinc/29/14/99/569291499.db2.gz ZXHFFZKIEPRKQV-UHFFFAOYSA-N 0 0 403.394 2.473 40 5 HEBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000224900315 569293681 /nfs/dbraw/zinc/29/36/81/569293681.db2.gz OEJADTRCYULUOU-UHFFFAOYSA-N 0 0 421.431 2.230 40 5 HEBBRN O=c1[nH]nc(-c2cccc([N+](=O)[O-])c2)c2c1Nc1nnnn1[C@@H]2c1ccc(O)cc1 ZINC000010296732 569343218 /nfs/dbraw/zinc/34/32/18/569343218.db2.gz UADUYVHEWJYIJC-MRXNPFEDSA-N 0 0 404.346 2.144 40 5 HEBBRN CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@@H](c1ccc([N+](=O)[O-])o1)N=2 ZINC000108216771 569353499 /nfs/dbraw/zinc/35/34/99/569353499.db2.gz VWFPEXZZRNDPBC-WASHYIJTSA-N 0 0 405.432 2.160 40 5 HEBBRN CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113894166 569393510 /nfs/dbraw/zinc/39/35/10/569393510.db2.gz IPGBQHBRSXSDDW-UHFFFAOYSA-N 0 0 424.431 2.370 40 5 HEBBRN CC[C@H](C(=O)N[C@H](C)C(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260913122 569410282 /nfs/dbraw/zinc/41/02/82/569410282.db2.gz ZVYOXKPPGIFBER-TZMCWYRMSA-N 0 0 401.485 2.309 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000038856412 571088008 /nfs/dbraw/zinc/08/80/08/571088008.db2.gz WFELIZPHCUVUNJ-KRWDZBQOSA-N 0 0 421.431 2.159 40 5 HEBBRN COc1ccc(CNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220405624 559074102 /nfs/dbraw/zinc/07/41/02/559074102.db2.gz OLYLAWCCBNYPEA-ZDUSSCGKSA-N 0 0 407.448 2.074 40 5 HEBBRN C[C@H](C(=O)N1CCc2ccccc2C1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220403865 559074105 /nfs/dbraw/zinc/07/41/05/559074105.db2.gz UPAYIFVJQYEVKE-CQSZACIVSA-N 0 0 403.460 2.334 40 5 HEBBRN C[C@@H](C(=O)N1CCc2ccccc2C1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220403810 559074146 /nfs/dbraw/zinc/07/41/46/559074146.db2.gz UPAYIFVJQYEVKE-AWEZNQCLSA-N 0 0 403.460 2.334 40 5 HEBBRN O=C(NC[C@@H]1CCCO1)[C@@H](Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408679642 559223934 /nfs/dbraw/zinc/22/39/34/559223934.db2.gz GUDXVFWLFZLXMJ-MAUKXSAKSA-N 0 0 423.425 2.097 40 5 HEBBRN CCOC(=O)C1=C(C)n2c(=O)c(=C(C)C)sc2=N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000408731920 559225737 /nfs/dbraw/zinc/22/57/37/559225737.db2.gz QUBFTMURFSCZQW-OAHLLOKOSA-N 0 0 401.444 2.177 40 5 HEBBRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000020454810 568608731 /nfs/dbraw/zinc/60/87/31/568608731.db2.gz CELZPMHSQMJOAV-UHFFFAOYSA-N 0 0 407.448 2.471 40 5 HEBBRN CS(=O)(=O)N(CCCC(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000222683467 568767809 /nfs/dbraw/zinc/76/78/09/568767809.db2.gz VJGWRNVRMJNEGA-UHFFFAOYSA-N 0 0 405.476 2.500 40 5 HEBBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000216862512 568834490 /nfs/dbraw/zinc/83/44/90/568834490.db2.gz CSTMFEGRGZMNBQ-UHFFFAOYSA-N 0 0 418.475 2.092 40 5 HEBBRN Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000008267611 568985481 /nfs/dbraw/zinc/98/54/81/568985481.db2.gz DBCNZOAYQZNICR-UHFFFAOYSA-N 0 0 405.432 2.176 40 5 HEBBRN COc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000016215661 569029893 /nfs/dbraw/zinc/02/98/93/569029893.db2.gz TWXZVMUIQPVAQZ-UHFFFAOYSA-N 0 0 414.823 2.279 40 5 HEBBRN O=C(CCCn1cc([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n1)N1CCOCC1 ZINC000036620625 569211010 /nfs/dbraw/zinc/21/10/10/569211010.db2.gz ZBGVBPVNUZYGQD-UHFFFAOYSA-N 0 0 410.434 2.283 40 5 HEBBRN COc1ccc(NC(=O)C(=O)Cc2nc3ccc([N+](=O)[O-])cc3[nH]c2=O)c(OC)c1 ZINC000016958064 569268826 /nfs/dbraw/zinc/26/88/26/569268826.db2.gz VMMHEEIITIVKGM-UHFFFAOYSA-N 0 0 412.358 2.011 40 5 HEBBRN COc1cc(OCC(=O)NCc2cccc(CN3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000224743256 569286769 /nfs/dbraw/zinc/28/67/69/569286769.db2.gz HPONOAOYDQLXTB-UHFFFAOYSA-N 0 0 415.446 2.131 40 5 HEBBRN CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224747800 569287009 /nfs/dbraw/zinc/28/70/09/569287009.db2.gz SATLFZGSHGMEJT-UHFFFAOYSA-N 0 0 424.431 2.370 40 5 HEBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000224898822 569293742 /nfs/dbraw/zinc/29/37/42/569293742.db2.gz CDNYKWIUUPWCMH-UHFFFAOYSA-N 0 0 421.431 2.312 40 5 HEBBRN COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1 ZINC000007940120 569338787 /nfs/dbraw/zinc/33/87/87/569338787.db2.gz IXXWWCNSFCHXKE-CYBMUJFWSA-N 0 0 413.386 2.138 40 5 HEBBRN COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000008038836 569339080 /nfs/dbraw/zinc/33/90/80/569339080.db2.gz ZYEOQLRJEKYIQB-CYBMUJFWSA-N 0 0 413.386 2.138 40 5 HEBBRN COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000008433889 569341015 /nfs/dbraw/zinc/34/10/15/569341015.db2.gz OUKXEGBCEJWNLJ-ZDUSSCGKSA-N 0 0 413.386 2.138 40 5 HEBBRN CCOc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cccc1[N+](=O)[O-] ZINC000107757778 569352951 /nfs/dbraw/zinc/35/29/51/569352951.db2.gz RBKMMZBIUQQATP-LCYFTJDESA-N 0 0 415.358 2.466 40 5 HEBBRN CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000225287392 569385668 /nfs/dbraw/zinc/38/56/68/569385668.db2.gz AUTWKIFCPDMSAP-UHFFFAOYSA-N 0 0 401.510 2.153 40 5 HEBBRN CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113893454 569393512 /nfs/dbraw/zinc/39/35/12/569393512.db2.gz OVMGSFFMMDPDFK-UHFFFAOYSA-N 0 0 424.431 2.370 40 5 HEBBRN CC(=O)Oc1ccc(/C=c2\sc3nc(-c4cccc([N+](=O)[O-])c4)nn3c2=O)cc1 ZINC000012364615 569400380 /nfs/dbraw/zinc/40/03/80/569400380.db2.gz XVAAFBVYVBWNPD-SXGWCWSVSA-N 0 0 408.395 2.199 40 5 HEBBRN CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@@H](C)C[C@@H]32)C1=O ZINC000004594390 132279751 /nfs/dbraw/zinc/27/97/51/132279751.db2.gz SCIVFTCMBZHOHJ-RRBXVBTKSA-N 0 0 400.435 2.231 40 5 HEBBRN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)Oc2ccccc21 ZINC000010009204 132344763 /nfs/dbraw/zinc/34/47/63/132344763.db2.gz HBLHKDIANPGKOQ-KRWDZBQOSA-N 0 0 405.432 2.459 40 5 HEBBRN CCOc1ccc(CNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220418601 559076837 /nfs/dbraw/zinc/07/68/37/559076837.db2.gz RDOWFWFKUGESQY-AWEZNQCLSA-N 0 0 421.475 2.464 40 5 HEBBRN CCS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc2c(c1)OCO2 ZINC000014399042 559165639 /nfs/dbraw/zinc/16/56/39/559165639.db2.gz DILWXEHXFWIDIH-UHFFFAOYSA-N 0 0 421.431 2.427 40 5 HEBBRN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O ZINC000408553514 559217389 /nfs/dbraw/zinc/21/73/89/559217389.db2.gz ZQWQPFXQARCJOL-OVCLIPMQSA-N 0 0 421.431 2.271 40 5 HEBBRN O=C(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000408554962 559218016 /nfs/dbraw/zinc/21/80/16/559218016.db2.gz VWOQVCNWAKHCSL-UHFFFAOYSA-N 0 0 410.308 2.307 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@H](C)C(C)C)S(C)(=O)=O ZINC000260895184 559278598 /nfs/dbraw/zinc/27/85/98/559278598.db2.gz HDDLHNNIGMETKO-CYBMUJFWSA-N 0 0 401.485 2.310 40 5 HEBBRN COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3Cl)s2)cc1 ZINC000102971180 560836204 /nfs/dbraw/zinc/83/62/04/560836204.db2.gz BDEZEZBWEUNPDI-XFQWXJFMSA-N 0 0 416.842 2.499 40 5 HEBBRN COc1ccc(-c2noc(CNC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)n2)cc1 ZINC000219829148 568498819 /nfs/dbraw/zinc/49/88/19/568498819.db2.gz SEEVCJGJFIOBRK-UHFFFAOYSA-N 0 0 414.374 2.357 40 5 HEBBRN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000028209553 568597909 /nfs/dbraw/zinc/59/79/09/568597909.db2.gz FGNHLEYIAPOZHV-MRXNPFEDSA-N 0 0 403.416 2.222 40 5 HEBBRN CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222518559 568761487 /nfs/dbraw/zinc/76/14/87/568761487.db2.gz LXXWOXFTNDWSKE-SFHVURJKSA-N 0 0 421.475 2.464 40 5 HEBBRN CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000218305976 568928953 /nfs/dbraw/zinc/92/89/53/568928953.db2.gz AIKPFLQGEFFSJF-UHFFFAOYSA-N 0 0 413.477 2.003 40 5 HEBBRN COc1ccc(S(=O)(=O)NCC(=O)OCc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000016215667 569029882 /nfs/dbraw/zinc/02/98/82/569029882.db2.gz UMYIRQGWIWHHTF-UHFFFAOYSA-N 0 0 414.823 2.279 40 5 HEBBRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000006236812 569033736 /nfs/dbraw/zinc/03/37/36/569033736.db2.gz FHIPRJVMIBPPSM-UHFFFAOYSA-N 0 0 409.851 2.395 40 5 HEBBRN CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000225000206 569319525 /nfs/dbraw/zinc/31/95/25/569319525.db2.gz NGMSZKLCVZZZGC-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN CCOC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225032779 569323843 /nfs/dbraw/zinc/32/38/43/569323843.db2.gz MWXIZRZAZWQOQA-UHFFFAOYSA-N 0 0 422.415 2.124 40 5 HEBBRN COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225077027 569324005 /nfs/dbraw/zinc/32/40/05/569324005.db2.gz PBGSPHQQDJIOMH-UHFFFAOYSA-N 0 0 424.431 2.289 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000010335414 569343957 /nfs/dbraw/zinc/34/39/57/569343957.db2.gz AHTJCCBOWQDLAF-UHFFFAOYSA-N 0 0 407.404 2.037 40 5 HEBBRN CC[C@@H](C(=O)N[C@@H](C)C(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225226692 569375606 /nfs/dbraw/zinc/37/56/06/569375606.db2.gz ZVYOXKPPGIFBER-JSGCOSHPSA-N 0 0 401.485 2.309 40 5 HEBBRN Cc1cc([N+](=O)[O-])c(SC(=S)N(C)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000012174491 569399735 /nfs/dbraw/zinc/39/97/35/569399735.db2.gz ZYQJDUSFOLYLJK-VIFPVBQESA-N 0 0 405.479 2.307 40 5 HEBBRN COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2N2CCCN12 ZINC000019169992 569414407 /nfs/dbraw/zinc/41/44/07/569414407.db2.gz RGTVNUYCFJBVFN-FHWLQOOXSA-N 0 0 408.414 2.139 40 5 HEBBRN CS(=O)(=O)C(Br)(Br)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000096520820 558963978 /nfs/dbraw/zinc/96/39/78/558963978.db2.gz BSPZHPFXGNJMCC-MRVPVSSYSA-N 0 0 403.048 2.116 40 5 HEBBRN COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220402308 559074058 /nfs/dbraw/zinc/07/40/58/559074058.db2.gz WFJALSDVRHGVES-GFCCVEGCSA-N 0 0 423.447 2.405 40 5 HEBBRN CCOc1ccc(CNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220418524 559076854 /nfs/dbraw/zinc/07/68/54/559076854.db2.gz RDOWFWFKUGESQY-CQSZACIVSA-N 0 0 421.475 2.464 40 5 HEBBRN CCC[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000071980339 559163577 /nfs/dbraw/zinc/16/35/77/559163577.db2.gz LZEXOQOEIGDXBX-HNNXBMFYSA-N 0 0 411.842 2.376 40 5 HEBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c([N+](=O)[O-])cc1OC ZINC000408553506 559218214 /nfs/dbraw/zinc/21/82/14/559218214.db2.gz ZPIGADWGPNNZRT-OVCLIPMQSA-N 0 0 421.431 2.271 40 5 HEBBRN COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccc([N+](=O)[O-])cc3)C1=O)CC2 ZINC000102332163 560810003 /nfs/dbraw/zinc/81/00/03/560810003.db2.gz XMKMGKHAWSAYFA-KRWDZBQOSA-N 0 0 411.414 2.302 40 5 HEBBRN Cc1c(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220025615 568501308 /nfs/dbraw/zinc/50/13/08/568501308.db2.gz GRSIXBSUWFGHFI-UHFFFAOYSA-N 0 0 403.460 2.254 40 5 HEBBRN Cc1ccc(OCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220416971 568505516 /nfs/dbraw/zinc/50/55/16/568505516.db2.gz JDJVGDUCLUPLKZ-HNNXBMFYSA-N 0 0 421.475 2.253 40 5 HEBBRN CCOC(=O)c1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225023260 568609630 /nfs/dbraw/zinc/60/96/30/568609630.db2.gz WIKHAAMSEJUWGX-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN CC(C)Oc1cccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000022347881 568766665 /nfs/dbraw/zinc/76/66/65/568766665.db2.gz LBJGOBPWHDQUGT-UHFFFAOYSA-N 0 0 421.475 2.464 40 5 HEBBRN CS(=O)(=O)N1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccc(Cl)cc21 ZINC000022515423 568769204 /nfs/dbraw/zinc/76/92/04/568769204.db2.gz XFZZLARMYYFQPJ-OAHLLOKOSA-N 0 0 411.823 2.414 40 5 HEBBRN COc1ccc(S(=O)(=O)NCC(=O)OCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000016215670 569029909 /nfs/dbraw/zinc/02/99/09/569029909.db2.gz GKONIHZPRDKVIO-UHFFFAOYSA-N 0 0 414.823 2.279 40 5 HEBBRN COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000223761581 569031532 /nfs/dbraw/zinc/03/15/32/569031532.db2.gz FNMWXVGBQGYALX-UHFFFAOYSA-N 0 0 404.404 2.474 40 5 HEBBRN COc1cccc(-c2noc(CN(C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000223770072 569031555 /nfs/dbraw/zinc/03/15/55/569031555.db2.gz GSQZOMMLNUOLOB-UHFFFAOYSA-N 0 0 404.404 2.474 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=CC=NN1[C@@H]2C(=O)C(C)(C)C ZINC000006923965 569182454 /nfs/dbraw/zinc/18/24/54/569182454.db2.gz QDGKZHNFOUFZDW-DZUCGIPZSA-N 0 0 410.430 2.232 40 5 HEBBRN CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000224760102 569287407 /nfs/dbraw/zinc/28/74/07/569287407.db2.gz SNZBABRNDZQUKA-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN CCOC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224759887 569287433 /nfs/dbraw/zinc/28/74/33/569287433.db2.gz XFRFXRYPKUUDRM-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000224839597 569292007 /nfs/dbraw/zinc/29/20/07/569292007.db2.gz ZPOMQUCGGLQYRX-UHFFFAOYSA-N 0 0 422.415 2.043 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000224884821 569293494 /nfs/dbraw/zinc/29/34/94/569293494.db2.gz GLQGLPPTTNWGNX-UHFFFAOYSA-N 0 0 409.420 2.017 40 5 HEBBRN CCOC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225012956 569323409 /nfs/dbraw/zinc/32/34/09/569323409.db2.gz VWEVVZDOVMNYNF-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000007940079 569338791 /nfs/dbraw/zinc/33/87/91/569338791.db2.gz AKLDZXFIODIQCJ-INIZCTEOSA-N 0 0 411.414 2.434 40 5 HEBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000007940113 569338808 /nfs/dbraw/zinc/33/88/08/569338808.db2.gz SOBNSCCQUPNREZ-ZDUSSCGKSA-N 0 0 413.386 2.138 40 5 HEBBRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1[N+](=O)[O-] ZINC000008410824 569340270 /nfs/dbraw/zinc/34/02/70/569340270.db2.gz LKDOIOGZCUCOLN-UHFFFAOYSA-N 0 0 411.370 2.352 40 5 HEBBRN C[C@@]12C[C@@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]12 ZINC000009111243 569391591 /nfs/dbraw/zinc/39/15/91/569391591.db2.gz WXTBTYWPGPEHNG-IAMHBRQHSA-N 0 0 412.446 2.277 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113937048 569393567 /nfs/dbraw/zinc/39/35/67/569393567.db2.gz HSFMZILSFIJGCS-UHFFFAOYSA-N 0 0 415.374 2.286 40 5 HEBBRN CC(C)(Cc1ccccc1)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225477929 569399407 /nfs/dbraw/zinc/39/94/07/569399407.db2.gz KRDUXPNZINSLGS-UHFFFAOYSA-N 0 0 405.476 2.498 40 5 HEBBRN O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013388970 569413217 /nfs/dbraw/zinc/41/32/17/569413217.db2.gz JORKRVVVGCIHDF-UHFFFAOYSA-N 0 0 403.742 2.449 40 5 HEBBRN COc1c(O)ccc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c1[N+](=O)[O-] ZINC000261364009 569413594 /nfs/dbraw/zinc/41/35/94/569413594.db2.gz YPYIOOZAVJQRLO-INIZCTEOSA-O 0 0 414.423 2.453 40 5 HEBBRN COC[C@H](O)CSc1c([N+](=O)[O-])nc(C)n1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000008680777 571100484 /nfs/dbraw/zinc/10/04/84/571100484.db2.gz YXOKNBXJOFBQLA-LBPRGKRZSA-N 0 0 412.424 2.164 40 5 HEBBRN CC[C@@H](C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O ZINC000008994235 132334671 /nfs/dbraw/zinc/33/46/71/132334671.db2.gz FTULSNBLRBFGCO-CBLJQSSYSA-N 0 0 400.435 2.373 40 5 HEBBRN CS(=O)(=O)C(Br)(Br)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000096520811 558963946 /nfs/dbraw/zinc/96/39/46/558963946.db2.gz KOXMMDKYDHGHPF-MRVPVSSYSA-N 0 0 403.048 2.116 40 5 HEBBRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000016283077 558783444 /nfs/dbraw/zinc/78/34/44/558783444.db2.gz LCHYRXQMDDVGHE-UHFFFAOYSA-N 0 0 407.448 2.479 40 5 HEBBRN Cc1c(N(CC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220026922 558825375 /nfs/dbraw/zinc/82/53/75/558825375.db2.gz LAGAPFLGVSVZEC-UHFFFAOYSA-N 0 0 407.404 2.037 40 5 HEBBRN COc1ccc(CN(C)C(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220398045 559068995 /nfs/dbraw/zinc/06/89/95/559068995.db2.gz CVTIYPCLDNYGEH-CQSZACIVSA-N 0 0 421.475 2.417 40 5 HEBBRN CCC[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000071980391 559163560 /nfs/dbraw/zinc/16/35/60/559163560.db2.gz KXWUVSYBBYECRA-HNNXBMFYSA-N 0 0 411.842 2.376 40 5 HEBBRN O=C(NC(=S)Nc1ccccc1O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000408624499 559221933 /nfs/dbraw/zinc/22/19/33/559221933.db2.gz UTBQQJYEWYIMFV-UHFFFAOYSA-N 0 0 402.432 2.264 40 5 HEBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(F)cc1 ZINC000408670222 559223626 /nfs/dbraw/zinc/22/36/26/559223626.db2.gz WXPZLRTYZHBCKX-LBPRGKRZSA-N 0 0 401.350 2.269 40 5 HEBBRN NC(=O)/C=C\c1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000409021627 559239083 /nfs/dbraw/zinc/23/90/83/559239083.db2.gz QUUVTCZWSXVDKL-KXFIGUGUSA-N 0 0 410.430 2.144 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000409121405 559241058 /nfs/dbraw/zinc/24/10/58/559241058.db2.gz ZNVALZWWDUCQIS-UHFFFAOYSA-N 0 0 423.447 2.325 40 5 HEBBRN CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@@H](COC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2O1 ZINC000004855106 560611827 /nfs/dbraw/zinc/61/18/27/560611827.db2.gz IKRMVZVASOBSSJ-GHYKFQNRSA-N 0 0 409.391 2.148 40 5 HEBBRN CCc1nnc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1N ZINC000409174845 560686978 /nfs/dbraw/zinc/68/69/78/560686978.db2.gz PHZSNMFWHVNPBC-UHFFFAOYSA-N 0 0 405.465 2.317 40 5 HEBBRN COC(=O)c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C ZINC000409315284 560709329 /nfs/dbraw/zinc/70/93/29/560709329.db2.gz UVBAZZMHCSAWSQ-UHFFFAOYSA-N 0 0 421.431 2.095 40 5 HEBBRN COc1ccccc1CN(C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000020460669 568609591 /nfs/dbraw/zinc/60/95/91/568609591.db2.gz JSCXISJORDZLMK-UHFFFAOYSA-N 0 0 421.475 2.336 40 5 HEBBRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222482907 568760714 /nfs/dbraw/zinc/76/07/14/568760714.db2.gz QLOYDLRAOBSXKF-HNNXBMFYSA-N 0 0 415.446 2.454 40 5 HEBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000059387091 568952504 /nfs/dbraw/zinc/95/25/04/568952504.db2.gz XOHBOSSSNCGTJL-CYBMUJFWSA-N 0 0 413.342 2.282 40 5 HEBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000059387092 568952561 /nfs/dbraw/zinc/95/25/61/568952561.db2.gz XOHBOSSSNCGTJL-ZDUSSCGKSA-N 0 0 413.342 2.282 40 5 HEBBRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000008269934 568985516 /nfs/dbraw/zinc/98/55/16/568985516.db2.gz SOAALVDOBYQYCJ-UHFFFAOYSA-N 0 0 419.459 2.485 40 5 HEBBRN Cc1ccc(C)c(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000223995643 569033034 /nfs/dbraw/zinc/03/30/34/569033034.db2.gz BCZDOLMKEPVADA-UHFFFAOYSA-N 0 0 421.475 2.173 40 5 HEBBRN CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000006262480 569035941 /nfs/dbraw/zinc/03/59/41/569035941.db2.gz NBKPSVBOLWSLHR-CADBVGFASA-N 0 0 404.382 2.062 40 5 HEBBRN Cc1cc(C)cc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000224067948 569051425 /nfs/dbraw/zinc/05/14/25/569051425.db2.gz GGDIAZRXJRGUHM-UHFFFAOYSA-N 0 0 421.475 2.173 40 5 HEBBRN O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000224275370 569056753 /nfs/dbraw/zinc/05/67/53/569056753.db2.gz MFNLOIVISHSUBM-UHFFFAOYSA-N 0 0 419.459 2.188 40 5 HEBBRN CCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cccc([N+](=O)[O-])c3)N2N1 ZINC000588228278 569246210 /nfs/dbraw/zinc/24/62/10/569246210.db2.gz KBMZNRLTYYFFNT-GOSISDBHSA-N 0 0 409.471 2.271 40 5 HEBBRN O=C(NC(=S)NNc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017082182 569273009 /nfs/dbraw/zinc/27/30/09/569273009.db2.gz VGZRNJMJXUSZGT-UHFFFAOYSA-N 0 0 401.448 2.063 40 5 HEBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000224811618 569290445 /nfs/dbraw/zinc/29/04/45/569290445.db2.gz HHMUBSXWJXOHAU-UHFFFAOYSA-N 0 0 424.431 2.289 40 5 HEBBRN CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000224819245 569290490 /nfs/dbraw/zinc/29/04/90/569290490.db2.gz CCAPPKMICVJXCZ-UHFFFAOYSA-N 0 0 421.475 2.336 40 5 HEBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(F)cc1 ZINC000008433876 569340975 /nfs/dbraw/zinc/34/09/75/569340975.db2.gz WPZRJLZPAFJSDB-GFCCVEGCSA-N 0 0 401.350 2.269 40 5 HEBBRN CC(=O)Nc1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000010332229 569343885 /nfs/dbraw/zinc/34/38/85/569343885.db2.gz YOIFXYPAYFRIDW-UHFFFAOYSA-N 0 0 420.447 2.266 40 5 HEBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)C2=O)o1 ZINC000107819863 569353002 /nfs/dbraw/zinc/35/30/02/569353002.db2.gz ZDSHWHZTMGEEQW-GHXNOFRVSA-N 0 0 401.331 2.076 40 5 HEBBRN Cc1c(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cccc1[N+](=O)[O-] ZINC000038860278 571090192 /nfs/dbraw/zinc/09/01/92/571090192.db2.gz KBHVYEJCEUMXOT-KRWDZBQOSA-N 0 0 405.432 2.459 40 5 HEBBRN O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000008782424 132333417 /nfs/dbraw/zinc/33/34/17/132333417.db2.gz HTSQMYCKRRSSLG-HNNXBMFYSA-N 0 0 412.421 2.436 40 5 HEBBRN COc1ccc(CCn2ccc3nc4ccn(N(C)C)c(=O)c4cc3c2=O)cc1OC ZINC000040398682 523987706 /nfs/dbraw/zinc/98/77/06/523987706.db2.gz HZMXKMKXERGWNA-UHFFFAOYSA-N 0 0 420.469 2.169 40 5 HEBBRN COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NCCNc1ccc([N+](=O)[O-])c(N)c1 ZINC000016186297 558776131 /nfs/dbraw/zinc/77/61/31/558776131.db2.gz GLYKVLOSQPBIQJ-UHFFFAOYSA-N 0 0 418.410 2.002 40 5 HEBBRN COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000016291367 558783951 /nfs/dbraw/zinc/78/39/51/558783951.db2.gz GTBMQNPINPHMNR-UHFFFAOYSA-N 0 0 407.448 2.479 40 5 HEBBRN CS(=O)(=O)[C@](Cl)(I)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096518230 558963219 /nfs/dbraw/zinc/96/32/19/558963219.db2.gz YMPAXHGFZWNFRI-SECBINFHSA-N 0 0 403.581 2.150 40 5 HEBBRN CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2O1 ZINC000004855109 559191838 /nfs/dbraw/zinc/19/18/38/559191838.db2.gz IKRMVZVASOBSSJ-IETPZCKNSA-N 0 0 409.391 2.148 40 5 HEBBRN O=C(COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1)NCc1ccco1 ZINC000408605275 559221054 /nfs/dbraw/zinc/22/10/54/559221054.db2.gz LMHNLAGGDPZOBW-VMPITWQZSA-N 0 0 412.358 2.255 40 5 HEBBRN COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000408652650 559223754 /nfs/dbraw/zinc/22/37/54/559223754.db2.gz GKQDRYVHDMMCKR-CYBMUJFWSA-N 0 0 413.386 2.138 40 5 HEBBRN CCC1([N+](=O)[O-])COP(=O)(OP2(=O)OCC(CC)([N+](=O)[O-])CO2)OC1 ZINC000004991717 559225086 /nfs/dbraw/zinc/22/50/86/559225086.db2.gz VQLCTQLLBUFIRV-UHFFFAOYSA-N 0 0 404.205 2.164 40 5 HEBBRN CCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccccc3[N+](=O)[O-])N2N1 ZINC000588228310 560743680 /nfs/dbraw/zinc/74/36/80/560743680.db2.gz RSMOFUZNVGHWMT-GOSISDBHSA-N 0 0 409.471 2.271 40 5 HEBBRN COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccccc3[N+](=O)[O-])C1=O)CC2 ZINC000102332268 560810011 /nfs/dbraw/zinc/81/00/11/560810011.db2.gz MNFNWCIHCYLDKF-KRWDZBQOSA-N 0 0 411.414 2.302 40 5 HEBBRN CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1N=Cc3ccccc3[C@@H]21 ZINC000104272362 560850114 /nfs/dbraw/zinc/85/01/14/560850114.db2.gz AYYWAUVPDVVMLV-YRXWBPOGSA-N 0 0 418.409 2.172 40 5 HEBBRN Nc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000020635672 568638634 /nfs/dbraw/zinc/63/86/34/568638634.db2.gz SBICQWVZVLQTFP-ZDUSSCGKSA-N 0 0 411.422 2.022 40 5 HEBBRN Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000022348128 568766694 /nfs/dbraw/zinc/76/66/94/568766694.db2.gz FCQGHXXOVIEQIC-OAHLLOKOSA-N 0 0 421.475 2.253 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSC1CCCC1)S(C)(=O)=O ZINC000225608996 568775782 /nfs/dbraw/zinc/77/57/82/568775782.db2.gz XLUCEBYYJBOHFO-UHFFFAOYSA-N 0 0 415.537 2.461 40 5 HEBBRN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216856359 568832998 /nfs/dbraw/zinc/83/29/98/568832998.db2.gz PBHOHJARTOTXNH-UHFFFAOYSA-N 0 0 418.475 2.092 40 5 HEBBRN COC[C@H](CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)Oc1nonc1C ZINC000058055151 568881111 /nfs/dbraw/zinc/88/11/11/568881111.db2.gz VCUWMEBGCDMNNW-AWEZNQCLSA-N 0 0 411.846 2.156 40 5 HEBBRN COc1ccccc1[C@@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224148155 569052751 /nfs/dbraw/zinc/05/27/51/569052751.db2.gz LWVVCIZXMNEWDZ-CYBMUJFWSA-N 0 0 407.448 2.247 40 5 HEBBRN COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1 ZINC000007940121 569338812 /nfs/dbraw/zinc/33/88/12/569338812.db2.gz IXXWWCNSFCHXKE-ZDUSSCGKSA-N 0 0 413.386 2.138 40 5 HEBBRN C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000008038756 569339070 /nfs/dbraw/zinc/33/90/70/569339070.db2.gz CSDAJIPTNWMUHE-HOCLYGCPSA-N 0 0 411.414 2.368 40 5 HEBBRN O=c1[nH]nc(-c2cccc([N+](=O)[O-])c2)c2c1Nc1nnnn1[C@@H]2c1cccc(O)c1 ZINC000010296721 569343231 /nfs/dbraw/zinc/34/32/31/569343231.db2.gz IDLLVIPHLFDFTB-MRXNPFEDSA-N 0 0 404.346 2.144 40 5 HEBBRN CCOC(=O)c1sc2ncn(CC(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)c2c1C ZINC000028828701 569350368 /nfs/dbraw/zinc/35/03/68/569350368.db2.gz UTNFGZHIWIFEON-UHFFFAOYSA-N 0 0 416.415 2.490 40 5 HEBBRN Cc1c(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000038754399 571079137 /nfs/dbraw/zinc/07/91/37/571079137.db2.gz QSYUZSPMTVAZIY-UHFFFAOYSA-N 0 0 410.427 2.294 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000038859800 571089885 /nfs/dbraw/zinc/08/98/85/571089885.db2.gz HKWQTKHMWOMBKF-QGZVFWFLSA-N 0 0 405.432 2.459 40 5 HEBBRN Cc1ccc(S(=O)(=O)Oc2cc3ncc(-c4n[nH]cc4[N+](=O)[O-])cn3n2)cc1 ZINC000008763901 571114029 /nfs/dbraw/zinc/11/40/29/571114029.db2.gz GDTLCNQGHSWRBY-UHFFFAOYSA-N 0 0 400.376 2.104 40 5 HEBBRN COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1[N+](=O)[O-] ZINC000016227688 523680745 /nfs/dbraw/zinc/68/07/45/523680745.db2.gz JJSDQZIUYQKJRE-UHFFFAOYSA-N 0 0 420.472 2.379 40 5 HEBBRN Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cccc1[N+](=O)[O-] ZINC000041780549 525863301 /nfs/dbraw/zinc/86/33/01/525863301.db2.gz AKFARDWLLJZHBJ-UHFFFAOYSA-N 0 0 418.475 2.092 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000020245323 526079124 /nfs/dbraw/zinc/07/91/24/526079124.db2.gz CXOQSLUNCALZAY-UHFFFAOYSA-N 0 0 410.427 2.294 40 5 HEBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 ZINC000040399223 527262230 /nfs/dbraw/zinc/26/22/30/527262230.db2.gz PTJOYNNXEAKHRS-AWEZNQCLSA-N 0 0 420.385 2.486 40 5 HEBBRN COc1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)c1 ZINC000220401996 559074086 /nfs/dbraw/zinc/07/40/86/559074086.db2.gz OEIFOKWMBKDDCO-GFCCVEGCSA-N 0 0 423.447 2.405 40 5 HEBBRN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220406100 559074119 /nfs/dbraw/zinc/07/41/19/559074119.db2.gz ILUBODBROPOXCH-LLVKDONJSA-N 0 0 407.404 2.117 40 5 HEBBRN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220409288 559074228 /nfs/dbraw/zinc/07/42/28/559074228.db2.gz RBPHLYHFKUUJJJ-LBPRGKRZSA-N 0 0 421.431 2.159 40 5 HEBBRN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)c([N+](=O)[O-])c1 ZINC000014406108 559165598 /nfs/dbraw/zinc/16/55/98/559165598.db2.gz YVNFVTHMZRDHST-UHFFFAOYSA-N 0 0 400.420 2.307 40 5 HEBBRN Cn1c2cc(NC(=O)CSc3nc4ccccc4[nH]3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408545193 559217297 /nfs/dbraw/zinc/21/72/97/559217297.db2.gz ZPEHRTSTUPXWIB-UHFFFAOYSA-N 0 0 412.431 2.392 40 5 HEBBRN Cc1ccnc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000408623195 559221843 /nfs/dbraw/zinc/22/18/43/559221843.db2.gz RFTUXAXKYIONKA-UHFFFAOYSA-N 0 0 401.448 2.262 40 5 HEBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000408651220 559223336 /nfs/dbraw/zinc/22/33/36/559223336.db2.gz NHYRDQWOSHDQNV-CYBMUJFWSA-N 0 0 413.342 2.282 40 5 HEBBRN CC1(C)O[C@@H]2[C@@H]3OC(C)(C)O[C@H]3[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)O[C@H]2O1 ZINC000004855107 560611853 /nfs/dbraw/zinc/61/18/53/560611853.db2.gz IKRMVZVASOBSSJ-XGYYKPKNSA-N 0 0 409.391 2.148 40 5 HEBBRN CC(C)Oc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000020451223 568608641 /nfs/dbraw/zinc/60/86/41/568608641.db2.gz LMYORCAYCJOOIH-UHFFFAOYSA-N 0 0 421.475 2.464 40 5 HEBBRN CCOc1ccccc1CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000020488829 568613785 /nfs/dbraw/zinc/61/37/85/568613785.db2.gz BBTZTHMWHPNWCK-UHFFFAOYSA-N 0 0 407.448 2.076 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC000223882057 569032158 /nfs/dbraw/zinc/03/21/58/569032158.db2.gz FOMDEQODPIVUME-CQSZACIVSA-N 0 0 421.475 2.289 40 5 HEBBRN CN(C)S(=O)(=O)c1ccc(OCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224196441 569056213 /nfs/dbraw/zinc/05/62/13/569056213.db2.gz AGLZXKNEUHTXTP-LFYBBSHMSA-N 0 0 419.459 2.054 40 5 HEBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000224838009 569292038 /nfs/dbraw/zinc/29/20/38/569292038.db2.gz FXPWKVIYGYQCHD-UHFFFAOYSA-N 0 0 422.415 2.124 40 5 HEBBRN COc1cc2c(cc1OC)[C@@]13CC[N@+]4([O-])CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34 ZINC000253686993 569318541 /nfs/dbraw/zinc/31/85/41/569318541.db2.gz HHHQMKWPZAYIAE-FOLRAUNTSA-N 0 0 410.470 2.122 40 5 HEBBRN CCOC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225002631 569321933 /nfs/dbraw/zinc/32/19/33/569321933.db2.gz SHHUDNYXVUSGIW-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225023697 569323744 /nfs/dbraw/zinc/32/37/44/569323744.db2.gz SRMLKDFDJUBVCU-UHFFFAOYSA-N 0 0 424.431 2.370 40 5 HEBBRN COC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225040680 569324624 /nfs/dbraw/zinc/32/46/24/569324624.db2.gz DHYVGCYBBWVVGR-UHFFFAOYSA-N 0 0 410.404 2.224 40 5 HEBBRN Cc1ccc(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000010110474 569342811 /nfs/dbraw/zinc/34/28/11/569342811.db2.gz RAZFWHHADNMKSA-UHFFFAOYSA-N 0 0 405.476 2.418 40 5 HEBBRN COc1ccc(CCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000010368794 569344281 /nfs/dbraw/zinc/34/42/81/569344281.db2.gz XIDGRTUPGUMDJW-UHFFFAOYSA-N 0 0 421.475 2.037 40 5 HEBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC)C2=O)o1 ZINC000107757768 569352902 /nfs/dbraw/zinc/35/29/02/569352902.db2.gz KMYFZRJUFQSHHN-WQLSENKSSA-N 0 0 401.331 2.076 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O ZINC000225227811 569375647 /nfs/dbraw/zinc/37/56/47/569375647.db2.gz HDDLHNNIGMETKO-ZDUSSCGKSA-N 0 0 401.485 2.310 40 5 HEBBRN Cc1c(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000038755237 571079150 /nfs/dbraw/zinc/07/91/50/571079150.db2.gz GAYFSMIJWLQSBS-UHFFFAOYSA-N 0 0 419.459 2.318 40 5 HEBBRN CC1(C)O[C@H]2[C@@H]3OC(C)(C)O[C@@H]3O[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2O1 ZINC000245229917 571217504 /nfs/dbraw/zinc/21/75/04/571217504.db2.gz IKRMVZVASOBSSJ-NMNMXBMNSA-N 0 0 409.391 2.148 40 5 HEBBRN CCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@@H](C)C[C@@H]32)C(=O)N(C)C1=S ZINC000004624653 132280627 /nfs/dbraw/zinc/28/06/27/132280627.db2.gz BOBBKTLZLUOETE-CBLJQSSYSA-N 0 0 416.503 2.348 40 5 HEBBRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)Oc2ccccc21 ZINC000010009203 132344612 /nfs/dbraw/zinc/34/46/12/132344612.db2.gz HBLHKDIANPGKOQ-QGZVFWFLSA-N 0 0 405.432 2.459 40 5 HEBBRN COCc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(C)c5)c(=O)c4cc3c2=O)n1 ZINC000040398966 523162430 /nfs/dbraw/zinc/16/24/30/523162430.db2.gz HOIKNXKHEPTCRX-UHFFFAOYSA-N 0 0 414.425 2.263 40 5 HEBBRN COc1ccccc1-n1ccc2nc3ccn(-c4nnc(C)[nH]4)c(=O)c3cc2c1=O ZINC000040398591 524306375 /nfs/dbraw/zinc/30/63/75/524306375.db2.gz MQUCREMZSLYWEG-UHFFFAOYSA-N 0 0 400.398 2.125 40 5 HEBBRN CCS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000096520102 558963949 /nfs/dbraw/zinc/96/39/49/558963949.db2.gz HAOBFEPXMLRSGD-VHSXEESVSA-N 0 0 419.624 2.391 40 5 HEBBRN CS(=O)(=O)[C@](Cl)(I)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000096518236 558963190 /nfs/dbraw/zinc/96/31/90/558963190.db2.gz NNNKIFUMKXKDQC-SECBINFHSA-N 0 0 403.581 2.150 40 5 HEBBRN C[C@@H](C(=O)NCCSC(C)(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220408318 559074246 /nfs/dbraw/zinc/07/42/46/559074246.db2.gz XBTNSDGEBPOMIR-LBPRGKRZSA-N 0 0 403.526 2.397 40 5 HEBBRN COc1ccc(-n2nns/c2=N\c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000100369777 559197471 /nfs/dbraw/zinc/19/74/71/559197471.db2.gz RWMUKBWARQJZMR-PFONDFGASA-N 0 0 419.335 2.294 40 5 HEBBRN CCCC(=O)NC(=S)N1CCN(c2ccc(C(=O)OCC)cc2[N+](=O)[O-])CC1 ZINC000408572554 559219191 /nfs/dbraw/zinc/21/91/91/559219191.db2.gz JVZQFHNEQULPEV-UHFFFAOYSA-N 0 0 408.480 2.095 40 5 HEBBRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1 ZINC000409018312 559236980 /nfs/dbraw/zinc/23/69/80/559236980.db2.gz KUDYBPINGWARPR-NSIKDUERSA-N 0 0 424.369 2.163 40 5 HEBBRN COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000409213097 559244981 /nfs/dbraw/zinc/24/49/81/559244981.db2.gz SICHPZNVACVJJW-RIYZIHGNSA-N 0 0 414.349 2.274 40 5 HEBBRN C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 ZINC000409332021 559247707 /nfs/dbraw/zinc/24/77/07/559247707.db2.gz GIVYRJYPQZIHKZ-KSCDAYEDSA-N 0 0 406.394 2.457 40 5 HEBBRN CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1c3ccccc3C=NN1[C@@H]2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100690752 559256660 /nfs/dbraw/zinc/25/66/60/559256660.db2.gz OUFAZERCQOPLKE-MKXGPGLRSA-N 0 0 418.409 2.172 40 5 HEBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000409249851 560702081 /nfs/dbraw/zinc/70/20/81/560702081.db2.gz LYCWNVMUIFZEPA-OQLLNIDSSA-N 0 0 410.386 2.443 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000019934723 568585881 /nfs/dbraw/zinc/58/58/81/568585881.db2.gz UMHXGTZEQDVJEI-UHFFFAOYSA-N 0 0 419.459 2.318 40 5 HEBBRN COc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 ZINC000033397918 568697063 /nfs/dbraw/zinc/69/70/63/568697063.db2.gz BGUIDJGJVBRUQS-UHFFFAOYSA-N 0 0 409.420 2.017 40 5 HEBBRN CSCC[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2)n1cccc1 ZINC000604406001 568890023 /nfs/dbraw/zinc/89/00/23/568890023.db2.gz XKZMZJVOLGTONY-VYDXJSESSA-N 0 0 416.503 2.498 40 5 HEBBRN COc1ccc(-c2noc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 ZINC000223770781 569031595 /nfs/dbraw/zinc/03/15/95/569031595.db2.gz AXALGNLJTOFLHI-UHFFFAOYSA-N 0 0 420.403 2.141 40 5 HEBBRN CCc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000223775946 569031602 /nfs/dbraw/zinc/03/16/02/569031602.db2.gz ADMVKZZZQHDGJF-UHFFFAOYSA-N 0 0 421.475 2.118 40 5 HEBBRN NC(=O)c1c(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCC2 ZINC000016429241 569050227 /nfs/dbraw/zinc/05/02/27/569050227.db2.gz PAPPTVKBYRXXLQ-UHFFFAOYSA-N 0 0 420.472 2.136 40 5 HEBBRN CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2N1 ZINC000588228426 569246245 /nfs/dbraw/zinc/24/62/45/569246245.db2.gz VJKDBBGFQHOKKB-MRXNPFEDSA-N 0 0 415.862 2.144 40 5 HEBBRN CCOC(=O)[C@H]1CC[C@@H](C(=O)OCC)N1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017139216 569275434 /nfs/dbraw/zinc/27/54/34/569275434.db2.gz SMYBRYXJNMYXQZ-TXEJJXNPSA-N 0 0 413.408 2.469 40 5 HEBBRN COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000005193410 569328458 /nfs/dbraw/zinc/32/84/58/569328458.db2.gz QYBPVLNEFNLHNQ-ZDUSSCGKSA-N 0 0 413.386 2.138 40 5 HEBBRN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000007928411 569338502 /nfs/dbraw/zinc/33/85/02/569338502.db2.gz UQYRJUQRUJKXJZ-CYBMUJFWSA-N 0 0 413.386 2.382 40 5 HEBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)N1CCOCC1 ZINC000214284201 569380800 /nfs/dbraw/zinc/38/08/00/569380800.db2.gz NIEFENNIYNYLTN-MDWZMJQESA-N 0 0 411.823 2.143 40 5 HEBBRN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12)c1ccccc1 ZINC000009012739 569391110 /nfs/dbraw/zinc/39/11/10/569391110.db2.gz FLBVUNVQDLPVID-YRXWBPOGSA-N 0 0 416.393 2.192 40 5 HEBBRN COc1c(O)ccc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c1[N+](=O)[O-] ZINC000261364010 569413609 /nfs/dbraw/zinc/41/36/09/569413609.db2.gz YPYIOOZAVJQRLO-MRXNPFEDSA-O 0 0 414.423 2.453 40 5 HEBBRN COCc1n[nH]c(-n2ccc3nc4ccn(C5CCCCC5)c(=O)c4cc3c2=O)n1 ZINC000040398990 523163080 /nfs/dbraw/zinc/16/30/80/523163080.db2.gz OKOJEWZPWABRLZ-UHFFFAOYSA-N 0 0 406.446 2.470 40 5 HEBBRN O=C(CSC1=NC(=O)[C@H](Cc2ccccc2)C(=O)N1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006475356 557704416 /nfs/dbraw/zinc/70/44/16/557704416.db2.gz FPPVZHKNLYNHQI-UHFFFAOYSA-N 0 0 412.427 2.138 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCc1ccccc1)S(C)(=O)=O ZINC000220378229 559065887 /nfs/dbraw/zinc/06/58/87/559065887.db2.gz GLEJOOFDBSFFDK-OAHLLOKOSA-N 0 0 405.476 2.417 40 5 HEBBRN COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220414763 559076822 /nfs/dbraw/zinc/07/68/22/559076822.db2.gz LHKBJWQBHXVBKU-GFCCVEGCSA-N 0 0 421.431 2.175 40 5 HEBBRN O=[N+]([O-])c1cc2nc3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4nc3nc2cc1[N+](=O)[O-] ZINC000104083877 559157696 /nfs/dbraw/zinc/15/76/96/559157696.db2.gz QWAMOOVUKIFGHL-UHFFFAOYSA-N 0 0 412.234 2.359 40 5 HEBBRN C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 ZINC000409332027 559247723 /nfs/dbraw/zinc/24/77/23/559247723.db2.gz GIVYRJYPQZIHKZ-UDKICSLYSA-N 0 0 406.394 2.457 40 5 HEBBRN CCOC(=O)[C@H](Cc1ccc(OC)c([N+](=O)[O-])c1)NS(=O)(=O)c1ccccc1 ZINC000005326244 560564647 /nfs/dbraw/zinc/56/46/47/560564647.db2.gz DUIPUJOJNWQGBK-HNNXBMFYSA-N 0 0 408.432 2.056 40 5 HEBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O ZINC000409075539 560672938 /nfs/dbraw/zinc/67/29/38/560672938.db2.gz RNHVMSGQBDLNRF-MKVLZVNKSA-N 0 0 421.431 2.029 40 5 HEBBRN Cc1nnc(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)n1N ZINC000409166045 560686200 /nfs/dbraw/zinc/68/62/00/560686200.db2.gz BXVOBUCVSRUPMH-UHFFFAOYSA-N 0 0 405.465 2.371 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1N=CC=C[C@@H]21 ZINC000104001745 560847585 /nfs/dbraw/zinc/84/75/85/560847585.db2.gz QDGKZHNFOUFZDW-LLLHUVSDSA-N 0 0 410.430 2.232 40 5 HEBBRN CC(C)(COP(=O)(OCC(C)(C)[N+](=O)[O-])OCC(C)(C)[N+](=O)[O-])[N+](=O)[O-] ZINC000104048180 560847790 /nfs/dbraw/zinc/84/77/90/560847790.db2.gz JDBRGIFNOUHGKM-UHFFFAOYSA-N 0 0 401.309 2.310 40 5 HEBBRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000219823797 568498731 /nfs/dbraw/zinc/49/87/31/568498731.db2.gz JPSJXFUXSMXQIU-UHFFFAOYSA-N 0 0 420.374 2.425 40 5 HEBBRN COCCCNC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000219823505 568498732 /nfs/dbraw/zinc/49/87/32/568498732.db2.gz ZOYZEACGLIKRAQ-UHFFFAOYSA-N 0 0 417.418 2.387 40 5 HEBBRN COc1ccccc1CNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222361089 568751159 /nfs/dbraw/zinc/75/11/59/568751159.db2.gz YYWXDFQZDWUPGD-UHFFFAOYSA-N 0 0 421.475 2.466 40 5 HEBBRN Cc1ccc(OC[C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000022348133 568766622 /nfs/dbraw/zinc/76/66/22/568766622.db2.gz DSVQOOYAHPMKIW-HNNXBMFYSA-N 0 0 421.475 2.253 40 5 HEBBRN COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000022609344 568771654 /nfs/dbraw/zinc/77/16/54/568771654.db2.gz YAKZLLQHIBDTLG-QGZVFWFLSA-N 0 0 411.414 2.302 40 5 HEBBRN Cc1ccc(C(=O)N2C[C@@]3(F)C(=O)N(c4ccccn4)C[C@@]3(F)C2)cc1[N+](=O)[O-] ZINC000306123894 568900586 /nfs/dbraw/zinc/90/05/86/568900586.db2.gz AZWZFPJKDGKLFE-RBUKOAKNSA-N 0 0 402.357 2.217 40 5 HEBBRN Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCC(=O)N(C)C ZINC000223248433 568927978 /nfs/dbraw/zinc/92/79/78/568927978.db2.gz QRTORVUMISNPOB-UHFFFAOYSA-N 0 0 407.448 2.479 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008267189 568985460 /nfs/dbraw/zinc/98/54/60/568985460.db2.gz LHTFXHNGNRGKAS-UHFFFAOYSA-N 0 0 405.432 2.176 40 5 HEBBRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000016250177 569030337 /nfs/dbraw/zinc/03/03/37/569030337.db2.gz OGFSDAXKUZLNSR-UHFFFAOYSA-N 0 0 423.447 2.180 40 5 HEBBRN CC(=O)Nc1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001634698 569031397 /nfs/dbraw/zinc/03/13/97/569031397.db2.gz DEDOOFKBHPSBOY-GOSISDBHSA-N 0 0 400.416 2.472 40 5 HEBBRN COC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225031740 569323817 /nfs/dbraw/zinc/32/38/17/569323817.db2.gz MUNAUOFPCVCODU-UHFFFAOYSA-N 0 0 422.415 2.058 40 5 HEBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225034645 569323825 /nfs/dbraw/zinc/32/38/25/569323825.db2.gz DIEVDTJFSMWUAF-UHFFFAOYSA-N 0 0 409.376 2.180 40 5 HEBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225034980 569323864 /nfs/dbraw/zinc/32/38/64/569323864.db2.gz WXMNVAQKRFPWRC-UHFFFAOYSA-N 0 0 409.376 2.180 40 5 HEBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225087792 569325089 /nfs/dbraw/zinc/32/50/89/569325089.db2.gz YUBNZWJAHPDZBX-UHFFFAOYSA-N 0 0 423.403 2.488 40 5 HEBBRN C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000008433875 569341012 /nfs/dbraw/zinc/34/10/12/569341012.db2.gz VQFYACFLFDNOII-ZBFHGGJFSA-N 0 0 411.414 2.368 40 5 HEBBRN O=c1[nH]nc(-c2cccc([N+](=O)[O-])c2)c2c1Nc1nnnn1[C@H]2c1cccc(O)c1 ZINC000010296726 569343222 /nfs/dbraw/zinc/34/32/22/569343222.db2.gz IDLLVIPHLFDFTB-INIZCTEOSA-N 0 0 404.346 2.144 40 5 HEBBRN COC(=O)c1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000010369414 569344238 /nfs/dbraw/zinc/34/42/38/569344238.db2.gz QLQHCBKUQMTYDM-UHFFFAOYSA-N 0 0 421.431 2.095 40 5 HEBBRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225208312 569374530 /nfs/dbraw/zinc/37/45/30/569374530.db2.gz XPLGKWTYLXUIMT-AWEZNQCLSA-N 0 0 401.419 2.146 40 5 HEBBRN COc1ccccc1N1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000066012852 569393856 /nfs/dbraw/zinc/39/38/56/569393856.db2.gz YYKXKTCHSMLNLB-UHFFFAOYSA-N 0 0 401.419 2.340 40 5 HEBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1N1C(=O)CCC1=O ZINC000225494027 569401375 /nfs/dbraw/zinc/40/13/75/569401375.db2.gz CVDHREQFPDVVGT-UHFFFAOYSA-N 0 0 405.388 2.058 40 5 HEBBRN C[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccccn2)n1 ZINC000329046445 569424153 /nfs/dbraw/zinc/42/41/53/569424153.db2.gz UAOJPQWDNXRRRQ-NSHDSACASA-N 0 0 400.826 2.480 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000045354817 526082358 /nfs/dbraw/zinc/08/23/58/526082358.db2.gz DQOAAGDOIFKMJC-UHFFFAOYSA-N 0 0 418.475 2.092 40 5 HEBBRN O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000032117940 526765939 /nfs/dbraw/zinc/76/59/39/526765939.db2.gz JLTCUGKRDFQHNN-UHFFFAOYSA-N 0 0 415.431 2.194 40 5 HEBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 ZINC000040399225 527375589 /nfs/dbraw/zinc/37/55/89/527375589.db2.gz DFBWYDIICKWMTI-AWEZNQCLSA-N 0 0 420.385 2.486 40 5 HEBBRN CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000096520118 558963995 /nfs/dbraw/zinc/96/39/95/558963995.db2.gz RIUSNHBFTBYMHQ-ZJUUUORDSA-N 0 0 419.624 2.391 40 5 HEBBRN CCS(=O)(=O)[C@](Cl)(I)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000096520120 558964000 /nfs/dbraw/zinc/96/40/00/558964000.db2.gz RIUSNHBFTBYMHQ-NXEZZACHSA-N 0 0 419.624 2.391 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 ZINC000408703707 559225157 /nfs/dbraw/zinc/22/51/57/559225157.db2.gz XGEOTPVYHHJPEW-UHFFFAOYSA-N 0 0 423.447 2.012 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 ZINC000408706172 559225308 /nfs/dbraw/zinc/22/53/08/559225308.db2.gz WPRLNYIXACMSTE-UHFFFAOYSA-N 0 0 407.448 2.312 40 5 HEBBRN COc1cc(OC)c(OC)cc1/C=c1\sc2nc3ccc([N+](=O)[O-])cc3n2c1=O ZINC000408722611 559225361 /nfs/dbraw/zinc/22/53/61/559225361.db2.gz MDWOUAGVIYIXNY-IDUWFGFVSA-N 0 0 413.411 2.391 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000409252151 560703512 /nfs/dbraw/zinc/70/35/12/560703512.db2.gz QXGXSNHCVKLRSW-UHFFFAOYSA-N 0 0 408.392 2.216 40 5 HEBBRN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000102684700 560821183 /nfs/dbraw/zinc/82/11/83/560821183.db2.gz LFJYIJPHPSWGEJ-CEXWTWQISA-N 0 0 408.414 2.139 40 5 HEBBRN COc1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 ZINC000033382662 568696596 /nfs/dbraw/zinc/69/65/96/568696596.db2.gz UAVHKZXTLBSJMO-UHFFFAOYSA-N 0 0 409.420 2.017 40 5 HEBBRN Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000223056320 568912841 /nfs/dbraw/zinc/91/28/41/568912841.db2.gz IPEKKUNBJFCUBV-UHFFFAOYSA-N 0 0 405.432 2.361 40 5 HEBBRN COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000223770898 569031630 /nfs/dbraw/zinc/03/16/30/569031630.db2.gz PMUNGCCHVNEUQR-UHFFFAOYSA-N 0 0 404.404 2.474 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O ZINC000224116818 569052212 /nfs/dbraw/zinc/05/22/12/569052212.db2.gz VCPVWSBYRLBWRR-UHFFFAOYSA-N 0 0 411.411 2.143 40 5 HEBBRN O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000054200504 569060429 /nfs/dbraw/zinc/06/04/29/569060429.db2.gz AORSRHOVBVBJFJ-UHFFFAOYSA-N 0 0 414.237 2.274 40 5 HEBBRN CCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cccc([N+](=O)[O-])c3)N2N1 ZINC000588228279 569246263 /nfs/dbraw/zinc/24/62/63/569246263.db2.gz KBMZNRLTYYFFNT-SFHVURJKSA-N 0 0 409.471 2.271 40 5 HEBBRN COC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225080572 569325098 /nfs/dbraw/zinc/32/50/98/569325098.db2.gz YHAZWCWFHJMGDY-UHFFFAOYSA-N 0 0 408.388 2.000 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000010334464 569343940 /nfs/dbraw/zinc/34/39/40/569343940.db2.gz YIHPBYQNHDTBTM-UHFFFAOYSA-N 0 0 408.392 2.216 40 5 HEBBRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225437350 569396748 /nfs/dbraw/zinc/39/67/48/569396748.db2.gz CYVKSOFSDFQELG-ZDUSSCGKSA-N 0 0 419.409 2.285 40 5 HEBBRN COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)cc1 ZINC000008783551 132333399 /nfs/dbraw/zinc/33/33/99/132333399.db2.gz ABXBGCXZASXIRM-INIZCTEOSA-N 0 0 424.457 2.305 40 5 HEBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611888 132470362 /nfs/dbraw/zinc/47/03/62/132470362.db2.gz RBVHEYXJAOCVQS-UHFFFAOYSA-N 0 0 402.363 2.357 40 5 HEBBRN CCCn1nnc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000032119199 519896210 /nfs/dbraw/zinc/89/62/10/519896210.db2.gz BVABWKKXCUDQDY-UHFFFAOYSA-N 0 0 401.408 2.378 40 5 HEBBRN O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 ZINC000040399222 527436978 /nfs/dbraw/zinc/43/69/78/527436978.db2.gz LDOGWKPDUDGXST-GFCCVEGCSA-N 0 0 420.385 2.486 40 5 HEBBRN CS(=O)(=O)C(Br)(Br)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000096520821 558963964 /nfs/dbraw/zinc/96/39/64/558963964.db2.gz BSPZHPFXGNJMCC-QMMMGPOBSA-N 0 0 403.048 2.116 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCc1ccccc1)S(C)(=O)=O ZINC000013669786 558853220 /nfs/dbraw/zinc/85/32/20/558853220.db2.gz SUHWFWKETPZYEC-UHFFFAOYSA-N 0 0 421.475 2.118 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCc1ccccc1)S(C)(=O)=O ZINC000220378172 559065899 /nfs/dbraw/zinc/06/58/99/559065899.db2.gz GLEJOOFDBSFFDK-HNNXBMFYSA-N 0 0 405.476 2.417 40 5 HEBBRN COc1ccc(CNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220405570 559074104 /nfs/dbraw/zinc/07/41/04/559074104.db2.gz OLYLAWCCBNYPEA-CYBMUJFWSA-N 0 0 407.448 2.074 40 5 HEBBRN C[C@@H](C(=O)NCCCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220417073 559076846 /nfs/dbraw/zinc/07/68/46/559076846.db2.gz DXTGUSHBALBTFG-HNNXBMFYSA-N 0 0 405.476 2.498 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 ZINC000408609356 559221282 /nfs/dbraw/zinc/22/12/82/559221282.db2.gz SQLVZENDSUXUDK-UHFFFAOYSA-N 0 0 419.459 2.485 40 5 HEBBRN COc1ccc(CCNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000220026741 568501305 /nfs/dbraw/zinc/50/13/05/568501305.db2.gz CXKXPRCIFCHRGU-UHFFFAOYSA-N 0 0 421.475 2.037 40 5 HEBBRN Nc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000020674010 568639556 /nfs/dbraw/zinc/63/95/56/568639556.db2.gz BMPXGSVCRFDNSW-ZDUSSCGKSA-N 0 0 411.422 2.022 40 5 HEBBRN CS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000096519966 568758795 /nfs/dbraw/zinc/75/87/95/568758795.db2.gz PHECXICVONBCAI-DTWKUNHWSA-N 0 0 405.597 2.000 40 5 HEBBRN CS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000022347917 568766714 /nfs/dbraw/zinc/76/67/14/568766714.db2.gz UHPMKPCFPFVOSQ-UHFFFAOYSA-N 0 0 409.439 2.249 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(C)c1 ZINC000223248350 568928056 /nfs/dbraw/zinc/92/80/56/568928056.db2.gz FEKFVZZJKSDHBF-UHFFFAOYSA-N 0 0 407.448 2.479 40 5 HEBBRN Cc1c(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000218432126 568932435 /nfs/dbraw/zinc/93/24/35/568932435.db2.gz MLVREYFFQOXTGN-UHFFFAOYSA-N 0 0 421.431 2.079 40 5 HEBBRN COc1cc(OCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1[N+](=O)[O-] ZINC000147240809 569047911 /nfs/dbraw/zinc/04/79/11/569047911.db2.gz PRPGQHNZIOFDOF-GFCCVEGCSA-N 0 0 408.432 2.263 40 5 HEBBRN CCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccccc3[N+](=O)[O-])N2N1 ZINC000588228311 569246265 /nfs/dbraw/zinc/24/62/65/569246265.db2.gz RSMOFUZNVGHWMT-SFHVURJKSA-N 0 0 409.471 2.271 40 5 HEBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224755934 569287446 /nfs/dbraw/zinc/28/74/46/569287446.db2.gz SHECKZBZYXFCJO-UHFFFAOYSA-N 0 0 409.376 2.180 40 5 HEBBRN CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225022724 569323708 /nfs/dbraw/zinc/32/37/08/569323708.db2.gz VVRQQSYTVBDNBP-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN COC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225075735 569324040 /nfs/dbraw/zinc/32/40/40/569324040.db2.gz AALLQROOOLAIBW-UHFFFAOYSA-N 0 0 422.415 2.058 40 5 HEBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2cccs2)CC1=O ZINC000007881651 569338168 /nfs/dbraw/zinc/33/81/68/569338168.db2.gz HAZWAYUAGRPWQT-LLVKDONJSA-N 0 0 404.400 2.444 40 5 HEBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1[N+](=O)[O-] ZINC000007940088 569338786 /nfs/dbraw/zinc/33/87/86/569338786.db2.gz BTQVQUFRGVKMRT-CYBMUJFWSA-N 0 0 401.375 2.027 40 5 HEBBRN COc1ccc(-c2nnc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OC ZINC000009187934 569391693 /nfs/dbraw/zinc/39/16/93/569391693.db2.gz IXOLRBMQGVUNIL-SXGWCWSVSA-N 0 0 410.411 2.291 40 5 HEBBRN COC(=O)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000009353716 569392453 /nfs/dbraw/zinc/39/24/53/569392453.db2.gz RLECGFLZYIEZDY-INDMIFKZSA-N 0 0 419.393 2.283 40 5 HEBBRN O=c1[nH]c2nc3ccccc3n2c2cc(Cl)c(S(=O)(=O)N3CCOCC3)cc12 ZINC000009950369 569394542 /nfs/dbraw/zinc/39/45/42/569394542.db2.gz DHGDIRUIZQAERD-UHFFFAOYSA-N 0 0 418.862 2.003 40 5 HEBBRN COC(=O)c1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000010434031 569395968 /nfs/dbraw/zinc/39/59/68/569395968.db2.gz YKVVRHMNWCYBQT-UHFFFAOYSA-N 0 0 421.431 2.095 40 5 HEBBRN COc1ccc(Nc2cc(C(F)(F)F)nc(N[C@H](CO)C(C)C)n2)c([N+](=O)[O-])c1 ZINC000328956543 569422738 /nfs/dbraw/zinc/42/27/38/569422738.db2.gz AHCFUULAFVFKAM-GFCCVEGCSA-N 0 0 415.372 2.428 40 5 HEBBRN CCc1nnc(-n2ccc3nc4ccn(-c5cccc(OC)c5)c(=O)c4cc3c2=O)[nH]1 ZINC000040399136 522121927 /nfs/dbraw/zinc/12/19/27/522121927.db2.gz YQRNQFQCPLNLFH-UHFFFAOYSA-N 0 0 414.425 2.379 40 5 HEBBRN COc1ccccc1Cn1ccc2nc3ccn(-c4nnc(C)[nH]4)c(=O)c3cc2c1=O ZINC000040372879 524520546 /nfs/dbraw/zinc/52/05/46/524520546.db2.gz AUHSAUXMIWXPHT-UHFFFAOYSA-N 0 0 414.425 2.184 40 5 HEBBRN COc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)cc1 ZINC000008783550 536709962 /nfs/dbraw/zinc/70/99/62/536709962.db2.gz ABXBGCXZASXIRM-MRXNPFEDSA-N 0 0 424.457 2.305 40 5 HEBBRN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccccc1 ZINC000033897763 558771887 /nfs/dbraw/zinc/77/18/87/558771887.db2.gz WZBGXKYTPCROJF-YRXWBPOGSA-N 0 0 405.410 2.430 40 5 HEBBRN COc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC ZINC000220233774 559019253 /nfs/dbraw/zinc/01/92/53/559019253.db2.gz IKSNOFNCWYHDBT-LBPRGKRZSA-N 0 0 423.447 2.405 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000220384825 559068382 /nfs/dbraw/zinc/06/83/82/559068382.db2.gz WYXQUDUMZXNKPV-LBPRGKRZSA-N 0 0 421.431 2.425 40 5 HEBBRN COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220401668 559074080 /nfs/dbraw/zinc/07/40/80/559074080.db2.gz TURBXKCQKRJFMA-GFCCVEGCSA-N 0 0 421.431 2.175 40 5 HEBBRN Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)Cn3cc(C=O)c4ccccc43)cc21 ZINC000408600087 559221424 /nfs/dbraw/zinc/22/14/24/559221424.db2.gz UEHIVUQGJUKEJO-UHFFFAOYSA-N 0 0 407.386 2.191 40 5 HEBBRN C[C@H]1CCCC[C@H]1NC(=O)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004981478 559223785 /nfs/dbraw/zinc/22/37/85/559223785.db2.gz BOQNALBMIRWPLB-HNAYVOBHSA-N 0 0 402.495 2.484 40 5 HEBBRN O=C(NC[C@H]1CCCO1)[C@@H](Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408679640 559224382 /nfs/dbraw/zinc/22/43/82/559224382.db2.gz GUDXVFWLFZLXMJ-CRAIPNDOSA-N 0 0 423.425 2.097 40 5 HEBBRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704435 559225062 /nfs/dbraw/zinc/22/50/62/559225062.db2.gz NKUKDFOCXVNJJZ-GFCCVEGCSA-N 0 0 421.431 2.159 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/NC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O ZINC000409095923 560675784 /nfs/dbraw/zinc/67/57/84/560675784.db2.gz JAEOYLDGJBYBJD-MHWRWJLKSA-N 0 0 410.386 2.443 40 5 HEBBRN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccccc1 ZINC000103516974 560842828 /nfs/dbraw/zinc/84/28/28/560842828.db2.gz WZBGXKYTPCROJF-AKHDSKFASA-N 0 0 405.410 2.430 40 5 HEBBRN Cc1c(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220028307 568501370 /nfs/dbraw/zinc/50/13/70/568501370.db2.gz NWFWNLLUXSQSTO-UHFFFAOYSA-N 0 0 403.526 2.317 40 5 HEBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 ZINC000020239101 568595728 /nfs/dbraw/zinc/59/57/28/568595728.db2.gz GHMFLDIEBOXHAF-QGZVFWFLSA-N 0 0 419.459 2.085 40 5 HEBBRN COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccccc3[N+](=O)[O-])C1=O)CC2 ZINC000022609429 568771716 /nfs/dbraw/zinc/77/17/16/568771716.db2.gz MNFNWCIHCYLDKF-QGZVFWFLSA-N 0 0 411.414 2.302 40 5 HEBBRN CCn1cc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)c(C(=O)NC2CCCCC2)n1 ZINC000002732481 568804380 /nfs/dbraw/zinc/80/43/80/568804380.db2.gz ZDTBXZCGKYBJJY-UHFFFAOYSA-N 0 0 403.443 2.017 40 5 HEBBRN Cc1cccc(OCCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000224058110 569041834 /nfs/dbraw/zinc/04/18/34/569041834.db2.gz QQHVZDZNIFFSKZ-UHFFFAOYSA-N 0 0 421.475 2.173 40 5 HEBBRN O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000224275446 569056836 /nfs/dbraw/zinc/05/68/36/569056836.db2.gz AHDFBEXONINROY-UHFFFAOYSA-N 0 0 419.459 2.188 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3N=CC=C[C@H]3[C@H]2C1=O ZINC000006923963 569182504 /nfs/dbraw/zinc/18/25/04/569182504.db2.gz QDGKZHNFOUFZDW-SVGFKBNWSA-N 0 0 410.430 2.232 40 5 HEBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224783015 569289542 /nfs/dbraw/zinc/28/95/42/569289542.db2.gz UVRITJCXQXZGLK-UHFFFAOYSA-N 0 0 409.376 2.180 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC000006929851 569335324 /nfs/dbraw/zinc/33/53/24/569335324.db2.gz QIXSPCGDCCRZJH-ZDUSSCGKSA-N 0 0 407.448 2.247 40 5 HEBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2)CC1=O ZINC000008433865 569340943 /nfs/dbraw/zinc/34/09/43/569340943.db2.gz JGOATBGOFKLXKG-ZDUSSCGKSA-N 0 0 413.386 2.138 40 5 HEBBRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000033751206 569351245 /nfs/dbraw/zinc/35/12/45/569351245.db2.gz GJYXQTYZTKUHAP-LBPRGKRZSA-N 0 0 423.447 2.226 40 5 HEBBRN COc1cc(OCC(=O)NCc2cc(OC)c(OC)c(OC)c2)ccc1[N+](=O)[O-] ZINC000066017594 569393849 /nfs/dbraw/zinc/39/38/49/569393849.db2.gz JBJZUZYJEYERSP-UHFFFAOYSA-N 0 0 406.391 2.324 40 5 HEBBRN COCc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5C)c(=O)c4cc3c2=O)n1 ZINC000040398967 523162258 /nfs/dbraw/zinc/16/22/58/523162258.db2.gz CTLJPLPJKPCPOA-UHFFFAOYSA-N 0 0 414.425 2.263 40 5 HEBBRN Cc1nc2c(c(=O)[nH]1)CN(C(=O)Cn1c3ccccc3c(=O)c3ccccc31)CC2 ZINC000012117315 558329061 /nfs/dbraw/zinc/32/90/61/558329061.db2.gz QGFDZHNWZMRZHB-UHFFFAOYSA-N 0 0 400.438 2.131 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000219436539 558546146 /nfs/dbraw/zinc/54/61/46/558546146.db2.gz BRECTCMSKUOIDC-UHFFFAOYSA-N 0 0 419.415 2.167 40 5 HEBBRN COc1ccc(OC)c(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220214775 559016009 /nfs/dbraw/zinc/01/60/09/559016009.db2.gz DLHODNGTDHMSAR-GFCCVEGCSA-N 0 0 423.447 2.405 40 5 HEBBRN COc1ccccc1CNC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220384109 559068395 /nfs/dbraw/zinc/06/83/95/559068395.db2.gz ALXRWXLZNNEVJO-AWEZNQCLSA-N 0 0 421.475 2.383 40 5 HEBBRN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220409481 559074291 /nfs/dbraw/zinc/07/42/91/559074291.db2.gz JCGVIMVNIYNSBI-NSHDSACASA-N 0 0 408.392 2.296 40 5 HEBBRN C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004899813 559198098 /nfs/dbraw/zinc/19/80/98/559198098.db2.gz TUBKJDFIMPSKNT-KBPBESRZSA-N 0 0 414.418 2.353 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cccc(N2C(=O)C=CC2=O)c1 ZINC000409219484 560697896 /nfs/dbraw/zinc/69/78/96/560697896.db2.gz QZZDUVAYYWDHKN-UHFFFAOYSA-N 0 0 409.354 2.128 40 5 HEBBRN CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2N1 ZINC000588228425 560743640 /nfs/dbraw/zinc/74/36/40/560743640.db2.gz VJKDBBGFQHOKKB-INIZCTEOSA-N 0 0 415.862 2.144 40 5 HEBBRN CCOC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O ZINC000106744843 560893709 /nfs/dbraw/zinc/89/37/09/560893709.db2.gz KEWQACFZOSRMJF-GDNBJRDFSA-N 0 0 421.431 2.031 40 5 HEBBRN Cc1c(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000020105783 568587874 /nfs/dbraw/zinc/58/78/74/568587874.db2.gz QPXPUXSAWKEGKP-UHFFFAOYSA-N 0 0 402.432 2.335 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000020492108 568613684 /nfs/dbraw/zinc/61/36/84/568613684.db2.gz OSDIZUIGIOWZAE-UHFFFAOYSA-N 0 0 410.427 2.294 40 5 HEBBRN Nc1nc(N2CCCCC2)nc2c1[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000020635669 568638669 /nfs/dbraw/zinc/63/86/69/568638669.db2.gz SBICQWVZVLQTFP-CYBMUJFWSA-N 0 0 411.422 2.022 40 5 HEBBRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222391396 568756805 /nfs/dbraw/zinc/75/68/05/568756805.db2.gz NUWUDYIYALZZRC-HNNXBMFYSA-N 0 0 415.446 2.454 40 5 HEBBRN COC[C@@H](CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)Oc1nonc1C ZINC000058055155 568881078 /nfs/dbraw/zinc/88/10/78/568881078.db2.gz VCUWMEBGCDMNNW-CQSZACIVSA-N 0 0 411.846 2.156 40 5 HEBBRN NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000059488611 568956418 /nfs/dbraw/zinc/95/64/18/568956418.db2.gz QUUVTCZWSXVDKL-QHHAFSJGSA-N 0 0 410.430 2.144 40 5 HEBBRN O=C(COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)NCCCO ZINC000006624543 569061131 /nfs/dbraw/zinc/06/11/31/569061131.db2.gz OPQYTMXIACHUNJ-UHFFFAOYSA-N 0 0 401.422 2.469 40 5 biogenic HEBBRN COc1cc(OCC(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000224576340 569072069 /nfs/dbraw/zinc/07/20/69/569072069.db2.gz MTGHOIJKSZIAME-UHFFFAOYSA-N 0 0 415.446 2.131 40 5 HEBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000224811206 569290464 /nfs/dbraw/zinc/29/04/64/569290464.db2.gz VRTGGHHRZDAVOV-UHFFFAOYSA-N 0 0 424.431 2.289 40 5 HEBBRN COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000008038810 569339043 /nfs/dbraw/zinc/33/90/43/569339043.db2.gz FZOFTEPSTKTPBU-CYBMUJFWSA-N 0 0 413.386 2.138 40 5 HEBBRN COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000008038821 569339045 /nfs/dbraw/zinc/33/90/45/569339045.db2.gz ZGOPXHZOLRTLHN-CYBMUJFWSA-N 0 0 413.386 2.138 40 5 HEBBRN C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000008433872 569341022 /nfs/dbraw/zinc/34/10/22/569341022.db2.gz VQFYACFLFDNOII-GOEBONIOSA-N 0 0 411.414 2.368 40 5 HEBBRN C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 ZINC000033797523 569351417 /nfs/dbraw/zinc/35/14/17/569351417.db2.gz GIVYRJYPQZIHKZ-UBBRYJJRSA-N 0 0 406.394 2.457 40 5 HEBBRN CCOC(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000141419043 569354460 /nfs/dbraw/zinc/35/44/60/569354460.db2.gz DRLPOEXOESPDQW-UHFFFAOYSA-N 0 0 421.431 2.176 40 5 HEBBRN O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O)N1CCOCC1 ZINC000214292630 569380862 /nfs/dbraw/zinc/38/08/62/569380862.db2.gz PPQMZJAOGDGQDB-ZXPNPXPCSA-N 0 0 403.416 2.046 40 5 HEBBRN COc1cc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1[N+](=O)[O-] ZINC000066012744 569393938 /nfs/dbraw/zinc/39/39/38/569393938.db2.gz PTFYWKVYSPNGTG-UHFFFAOYSA-N 0 0 412.402 2.419 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(C)(=O)=O ZINC000010449853 569396062 /nfs/dbraw/zinc/39/60/62/569396062.db2.gz GOWZPRPXBGCJNZ-ZDUSSCGKSA-N 0 0 419.459 2.347 40 5 HEBBRN O=C(N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1)C(Cl)(Cl)Cl ZINC000070461915 569410555 /nfs/dbraw/zinc/41/05/55/569410555.db2.gz XVFNZZSJQREGLD-UHFFFAOYSA-N 0 0 419.656 2.194 40 5 HEBBRN O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(-c2ccccn2)nc(NCCCO)n1 ZINC000329060740 569424914 /nfs/dbraw/zinc/42/49/14/569424914.db2.gz WNKLHZWYSCQRTE-UHFFFAOYSA-N 0 0 400.826 2.482 40 5 HEBBRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)O2 ZINC000038860253 571090302 /nfs/dbraw/zinc/09/03/02/571090302.db2.gz FXCQVNAUNHVOBW-QGZVFWFLSA-N 0 0 405.432 2.377 40 5 HEBBRN C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=S)N(C4CC4)C3=O)[C@@H]2C1 ZINC000008739146 132332818 /nfs/dbraw/zinc/33/28/18/132332818.db2.gz FOKAVCWXEQFMQC-XITNVPRNSA-N 0 0 414.487 2.148 40 5 HEBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21 ZINC000040375300 522979042 /nfs/dbraw/zinc/97/90/42/522979042.db2.gz DEIZIUASTIATLK-AWEZNQCLSA-N 0 0 408.374 2.384 40 5 HEBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020461901 527374701 /nfs/dbraw/zinc/37/47/01/527374701.db2.gz HGJZWVDTUJDULC-UHFFFAOYSA-N 0 0 405.432 2.009 40 5 HEBBRN O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 ZINC000040399221 527436778 /nfs/dbraw/zinc/43/67/78/527436778.db2.gz LDOGWKPDUDGXST-LBPRGKRZSA-N 0 0 420.385 2.486 40 5 HEBBRN O=c1c2ccc3c4ccc5c(=O)c(=O)c6cc7c(c8c(cc(c1=O)c2c83)S7(=O)=O)c4c56 ZINC000009057162 557017060 /nfs/dbraw/zinc/01/70/60/557017060.db2.gz PYEYXOVCVINCEL-UHFFFAOYSA-N 0 0 422.373 2.382 40 5 HEBBRN Cc1c2c(c3ccccc3n2C)c(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2cnccc12 ZINC000005486949 557657040 /nfs/dbraw/zinc/65/70/40/557657040.db2.gz JRIGURFJUAUMBB-AWDZXFJFSA-N 0 0 408.454 2.144 40 5 HEBBRN COCCn1ccc2nc3ccn(-c4ccc(NC(C)=O)cc4)c(=O)c3cc2c1=O ZINC000038829438 558816265 /nfs/dbraw/zinc/81/62/65/558816265.db2.gz ZFZBJIHETMBDOS-UHFFFAOYSA-N 0 0 404.426 2.305 40 5 HEBBRN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC)Oc2ccccc21 ZINC000013683283 558854474 /nfs/dbraw/zinc/85/44/74/558854474.db2.gz LSJRBMKWXKCLSZ-KRWDZBQOSA-N 0 0 421.431 2.159 40 5 HEBBRN COc1ccc(CCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220405784 559074122 /nfs/dbraw/zinc/07/41/22/559074122.db2.gz YAMREBGTGUCMEJ-AWEZNQCLSA-N 0 0 421.475 2.117 40 5 HEBBRN CCC[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000071980392 559163483 /nfs/dbraw/zinc/16/34/83/559163483.db2.gz KXWUVSYBBYECRA-OAHLLOKOSA-N 0 0 411.842 2.376 40 5 HEBBRN O=C(Oc1cccc(N2C(=O)CCC2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408654756 559223733 /nfs/dbraw/zinc/22/37/33/559223733.db2.gz GPSRRRMWQUZYPF-CYBMUJFWSA-N 0 0 423.381 2.207 40 5 HEBBRN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004981477 559223845 /nfs/dbraw/zinc/22/38/45/559223845.db2.gz BOQNALBMIRWPLB-DNVCBOLYSA-N 0 0 402.495 2.484 40 5 HEBBRN COc1c(OC(C)=O)ccc(/C=c2\sc3nc4ccccc4n3c2=O)c1[N+](=O)[O-] ZINC000408718410 559224641 /nfs/dbraw/zinc/22/46/41/559224641.db2.gz MTTGKPHZNZKVEM-DHDCSXOGSA-N 0 0 411.395 2.299 40 5 HEBBRN COc1ccc(Cl)cc1N(CC(N)=O)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409114659 559241727 /nfs/dbraw/zinc/24/17/27/559241727.db2.gz PPZKYAIDBCZUNU-UHFFFAOYSA-N 0 0 413.839 2.246 40 5 HEBBRN COC[C@@H](O)CSc1c([N+](=O)[O-])nc(C)n1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000008680776 560638095 /nfs/dbraw/zinc/63/80/95/560638095.db2.gz YXOKNBXJOFBQLA-GFCCVEGCSA-N 0 0 412.424 2.164 40 5 HEBBRN CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000409027795 560668214 /nfs/dbraw/zinc/66/82/14/560668214.db2.gz FDNFTPATIGNZEQ-UHFFFAOYSA-N 0 0 423.516 2.410 40 5 HEBBRN C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000101168270 560787237 /nfs/dbraw/zinc/78/72/37/560787237.db2.gz PQXIBZQSJUPPAD-KBUPBQIOSA-N 0 0 405.451 2.094 40 5 HEBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020410879 568604706 /nfs/dbraw/zinc/60/47/06/568604706.db2.gz ZJWQGGMRIOZYAT-UHFFFAOYSA-N 0 0 402.363 2.357 40 5 HEBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225113254 568615226 /nfs/dbraw/zinc/61/52/26/568615226.db2.gz URJJUVWZFJJNAG-UHFFFAOYSA-N 0 0 412.395 2.419 40 5 HEBBRN CC[C@H](C(=O)NCCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222513103 568761334 /nfs/dbraw/zinc/76/13/34/568761334.db2.gz YCEFXDRDJMRKIQ-GOSISDBHSA-N 0 0 405.476 2.498 40 5 HEBBRN COC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)OC ZINC000004124480 568944711 /nfs/dbraw/zinc/94/47/11/568944711.db2.gz DERPYVWALNEHPB-FOGDFJRCSA-N 0 0 410.429 2.325 40 5 HEBBRN COC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000016194232 569029687 /nfs/dbraw/zinc/02/96/87/569029687.db2.gz CHTISMMLQAEKAZ-UHFFFAOYSA-N 0 0 414.403 2.088 40 5 HEBBRN COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224782616 569289522 /nfs/dbraw/zinc/28/95/22/569289522.db2.gz HHPYYHMZORHUFN-UHFFFAOYSA-N 0 0 422.415 2.043 40 5 HEBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225112897 569326537 /nfs/dbraw/zinc/32/65/37/569326537.db2.gz ZZYNMCBKJYDGEB-UHFFFAOYSA-N 0 0 412.395 2.419 40 5 HEBBRN COc1cc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000010127992 569395167 /nfs/dbraw/zinc/39/51/67/569395167.db2.gz LDCRQCZXYFXTEB-UHFFFAOYSA-N 0 0 406.420 2.252 40 5 HEBBRN O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(-c2ccncc2)nc(NCCCO)n1 ZINC000328972146 569422894 /nfs/dbraw/zinc/42/28/94/569422894.db2.gz DUDAOKHKQQUGNC-UHFFFAOYSA-N 0 0 400.826 2.482 40 5 HEBBRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)O2 ZINC000038859774 571088437 /nfs/dbraw/zinc/08/84/37/571088437.db2.gz OQUYGVCFMPBDPG-QGZVFWFLSA-N 0 0 405.432 2.377 40 5 HEBBRN CCc1nnc(-n2ccc3nc4ccn(-c5ccccc5OC)c(=O)c4cc3c2=O)[nH]1 ZINC000040399135 522123041 /nfs/dbraw/zinc/12/30/41/522123041.db2.gz XRQZTFUGJFJSET-UHFFFAOYSA-N 0 0 414.425 2.379 40 5 HEBBRN CCS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000096520124 558963958 /nfs/dbraw/zinc/96/39/58/558963958.db2.gz RIUSNHBFTBYMHQ-VHSXEESVSA-N 0 0 419.624 2.391 40 5 HEBBRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000016347375 558787371 /nfs/dbraw/zinc/78/73/71/558787371.db2.gz AQERPCDZSCRNNY-UHFFFAOYSA-N 0 0 423.447 2.180 40 5 HEBBRN Cc1cccc(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000013671952 558853232 /nfs/dbraw/zinc/85/32/32/558853232.db2.gz YYRRDMWKHAQDDV-UHFFFAOYSA-N 0 0 405.476 2.418 40 5 HEBBRN Cc1c(N(CC(=O)NCCCc2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220033636 558945856 /nfs/dbraw/zinc/94/58/56/558945856.db2.gz LODSQPGLXOKKOR-UHFFFAOYSA-N 0 0 405.476 2.418 40 5 HEBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000408637217 559222622 /nfs/dbraw/zinc/22/26/22/559222622.db2.gz HQGQEGNFZUFYEQ-CYBMUJFWSA-N 0 0 413.342 2.282 40 5 HEBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000408641584 559222972 /nfs/dbraw/zinc/22/29/72/559222972.db2.gz CSPIIMRSFAMWTD-ZDUSSCGKSA-N 0 0 413.342 2.282 40 5 HEBBRN CCOC(=O)C1=C(C)n2c(=O)c(=C(C)C)sc2=N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000408731919 559225881 /nfs/dbraw/zinc/22/58/81/559225881.db2.gz QUBFTMURFSCZQW-HNNXBMFYSA-N 0 0 401.444 2.177 40 5 HEBBRN Cc1ccc(C)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)N(C)C)c1 ZINC000020244782 568595620 /nfs/dbraw/zinc/59/56/20/568595620.db2.gz YHYCEAFXDYVMCG-UHFFFAOYSA-N 0 0 406.464 2.463 40 5 HEBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 ZINC000020239098 568595633 /nfs/dbraw/zinc/59/56/33/568595633.db2.gz GHMFLDIEBOXHAF-KRWDZBQOSA-N 0 0 419.459 2.085 40 5 HEBBRN CCCn1nnc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000057316553 568826403 /nfs/dbraw/zinc/82/64/03/568826403.db2.gz XLGSLIYDGBXSRM-UHFFFAOYSA-N 0 0 401.408 2.378 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000008267180 568985528 /nfs/dbraw/zinc/98/55/28/568985528.db2.gz GPOVDNYFEJQDAJ-UHFFFAOYSA-N 0 0 419.459 2.485 40 5 HEBBRN COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000016250174 569030303 /nfs/dbraw/zinc/03/03/03/569030303.db2.gz GUZXVYGQIBSXMA-UHFFFAOYSA-N 0 0 423.447 2.180 40 5 HEBBRN COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000223762223 569031529 /nfs/dbraw/zinc/03/15/29/569031529.db2.gz KIUFGPKHCLLUKS-UHFFFAOYSA-N 0 0 404.404 2.440 40 5 HEBBRN COc1cccc(-c2noc(CNS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 ZINC000223762130 569031559 /nfs/dbraw/zinc/03/15/59/569031559.db2.gz LILWGWPPOMUDMF-UHFFFAOYSA-N 0 0 404.404 2.440 40 5 HEBBRN COC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225009020 569322182 /nfs/dbraw/zinc/32/21/82/569322182.db2.gz SZPVQKFIRYVCMN-UHFFFAOYSA-N 0 0 422.415 2.058 40 5 HEBBRN CCOC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225027769 569323720 /nfs/dbraw/zinc/32/37/20/569323720.db2.gz OZYVAZMTKYAYKS-UHFFFAOYSA-N 0 0 408.388 2.082 40 5 HEBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)c1 ZINC000008036355 569338888 /nfs/dbraw/zinc/33/88/88/569338888.db2.gz AQGGYZAGULAGON-ZDUSSCGKSA-N 0 0 419.434 2.266 40 5 HEBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000008036792 569338891 /nfs/dbraw/zinc/33/88/91/569338891.db2.gz SXNUYCQHGPNEME-GFCCVEGCSA-N 0 0 401.350 2.269 40 5 HEBBRN COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000008038815 569339081 /nfs/dbraw/zinc/33/90/81/569339081.db2.gz FZOFTEPSTKTPBU-ZDUSSCGKSA-N 0 0 413.386 2.138 40 5 HEBBRN CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113892797 569393420 /nfs/dbraw/zinc/39/34/20/569393420.db2.gz XHEHFGMACVNYDO-UHFFFAOYSA-N 0 0 424.431 2.370 40 5 HEBBRN COc1cc(OCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1[N+](=O)[O-] ZINC000066018192 569393926 /nfs/dbraw/zinc/39/39/26/569393926.db2.gz PRPGQHNZIOFDOF-LBPRGKRZSA-N 0 0 408.432 2.263 40 5 HEBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225437319 569396751 /nfs/dbraw/zinc/39/67/51/569396751.db2.gz CYVKSOFSDFQELG-CYBMUJFWSA-N 0 0 419.409 2.285 40 5 HEBBRN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000008783552 132333488 /nfs/dbraw/zinc/33/34/88/132333488.db2.gz HTSQMYCKRRSSLG-OAHLLOKOSA-N 0 0 412.421 2.436 40 5 HEBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611887 132470328 /nfs/dbraw/zinc/47/03/28/132470328.db2.gz OQAMKMKZHHRBDN-UHFFFAOYSA-N 0 0 402.363 2.357 40 5 HEBBRN CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(C4CC4)c(=O)c3cc2c1=O ZINC000040399092 521399455 /nfs/dbraw/zinc/39/94/55/521399455.db2.gz GDNRNKVJUBUPJB-UHFFFAOYSA-N 0 0 405.414 2.244 40 5 HEBBRN COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000008038830 557770932 /nfs/dbraw/zinc/77/09/32/557770932.db2.gz ZGOPXHZOLRTLHN-ZDUSSCGKSA-N 0 0 413.386 2.138 40 5 HEBBRN CS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000096519981 558963625 /nfs/dbraw/zinc/96/36/25/558963625.db2.gz PAQOSPNLCDYULN-BDAKNGLRSA-N 0 0 405.597 2.000 40 5 HEBBRN CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000096520096 558963777 /nfs/dbraw/zinc/96/37/77/558963777.db2.gz HAOBFEPXMLRSGD-ZJUUUORDSA-N 0 0 419.624 2.391 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O ZINC000220086456 558986830 /nfs/dbraw/zinc/98/68/30/558986830.db2.gz XYRYEVRAOVLAOT-UHFFFAOYSA-N 0 0 415.374 2.286 40 5 HEBBRN COc1ccc(OC)c(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220402384 559074056 /nfs/dbraw/zinc/07/40/56/559074056.db2.gz WFJALSDVRHGVES-LBPRGKRZSA-N 0 0 423.447 2.405 40 5 HEBBRN COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220403161 559074061 /nfs/dbraw/zinc/07/40/61/559074061.db2.gz LEIOAELSXNVSIZ-GFCCVEGCSA-N 0 0 421.431 2.175 40 5 HEBBRN CCOc1ccccc1CNC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220419686 559076936 /nfs/dbraw/zinc/07/69/36/559076936.db2.gz SLFFQWMBMJZKJB-AWEZNQCLSA-N 0 0 421.475 2.464 40 5 HEBBRN COCCNC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1C ZINC000408601380 559220513 /nfs/dbraw/zinc/22/05/13/559220513.db2.gz GEMRAHYCMLOWCX-UHFFFAOYSA-N 0 0 407.448 2.389 40 5 HEBBRN CS(=O)(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 ZINC000408617922 559221595 /nfs/dbraw/zinc/22/15/95/559221595.db2.gz HUCHPFSSRUKUSK-UHFFFAOYSA-N 0 0 407.492 2.446 40 5 HEBBRN O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408679645 559223928 /nfs/dbraw/zinc/22/39/28/559223928.db2.gz GUDXVFWLFZLXMJ-QAPCUYQASA-N 0 0 423.425 2.097 40 5 HEBBRN COc1cc2c(cc1OC)[C@@]13CC[N+]4([O-])CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34 ZINC000005357815 560201410 /nfs/dbraw/zinc/20/14/10/560201410.db2.gz HHHQMKWPZAYIAE-AWRJASDASA-N 0 0 410.470 2.122 40 5 in-vitro HEBBRN CC(=O)Oc1ccccc1-c1nc2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2n1 ZINC000005383348 560575284 /nfs/dbraw/zinc/57/52/84/560575284.db2.gz HBCHRIVLIAUGPA-MHWRWJLKSA-N 0 0 408.395 2.199 40 5 HEBBRN Cc1c(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cccc1[N+](=O)[O-] ZINC000219437579 568492176 /nfs/dbraw/zinc/49/21/76/568492176.db2.gz CQMPXHIKWPRWNG-UHFFFAOYSA-N 0 0 403.416 2.467 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000219437371 568492214 /nfs/dbraw/zinc/49/22/14/568492214.db2.gz SJXMOMYVLJKFJA-UHFFFAOYSA-N 0 0 403.416 2.467 40 5 HEBBRN CCOC(=O)c1ccccc1N(CC(=O)OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225000811 568608174 /nfs/dbraw/zinc/60/81/74/568608174.db2.gz MGUAPNRZWSPMQT-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN Cc1ccccc1OC[C@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000022348124 568766689 /nfs/dbraw/zinc/76/66/89/568766689.db2.gz FCQGHXXOVIEQIC-HNNXBMFYSA-N 0 0 421.475 2.253 40 5 HEBBRN CN(CCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 ZINC000218306891 568929124 /nfs/dbraw/zinc/92/91/24/568929124.db2.gz ZABXVOYFPXETLA-UHFFFAOYSA-N 0 0 420.491 2.004 40 5 HEBBRN C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=S)N(C4CC4)C3=O)[C@@H]2C1 ZINC000017057401 569272518 /nfs/dbraw/zinc/27/25/18/569272518.db2.gz FOKAVCWXEQFMQC-QUGJLEDBSA-N 0 0 414.487 2.148 40 5 HEBBRN CCOC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224754213 569287424 /nfs/dbraw/zinc/28/74/24/569287424.db2.gz RUXKKHDKTZPJPS-UHFFFAOYSA-N 0 0 422.415 2.124 40 5 HEBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224784666 569289544 /nfs/dbraw/zinc/28/95/44/569289544.db2.gz SOAIBFHJXSEBTA-UHFFFAOYSA-N 0 0 423.403 2.488 40 5 HEBBRN CCOC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225023023 569323726 /nfs/dbraw/zinc/32/37/26/569323726.db2.gz KXPDZKRHFGFGOH-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000008038851 569339084 /nfs/dbraw/zinc/33/90/84/569339084.db2.gz ZYEOQLRJEKYIQB-ZDUSSCGKSA-N 0 0 413.386 2.138 40 5 HEBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2)CC1=O ZINC000008433864 569340940 /nfs/dbraw/zinc/34/09/40/569340940.db2.gz JGOATBGOFKLXKG-CYBMUJFWSA-N 0 0 413.386 2.138 40 5 HEBBRN CC1(C)O[C@@H]2O[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000013152229 569410063 /nfs/dbraw/zinc/41/00/63/569410063.db2.gz IKRMVZVASOBSSJ-MDLJMBGESA-N 0 0 409.391 2.148 40 5 HEBBRN COc1ccc(-n2ccc3nc4ccn(-c5nnc(C)[nH]5)c(=O)c4cc3c2=O)cc1 ZINC000040398593 523334326 /nfs/dbraw/zinc/33/43/26/523334326.db2.gz FSMAJOXZAHPUHJ-UHFFFAOYSA-N 0 0 400.398 2.125 40 5 HEBBRN Cc1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000020245327 525833545 /nfs/dbraw/zinc/83/35/45/525833545.db2.gz NLQYXNSPXQVEJV-UHFFFAOYSA-N 0 0 410.427 2.294 40 5 HEBBRN CCOc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000220034574 558945526 /nfs/dbraw/zinc/94/55/26/558945526.db2.gz BEFRPQGGQIGUJB-UHFFFAOYSA-N 0 0 421.475 2.384 40 5 HEBBRN COc1ccc(CNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220384262 559068341 /nfs/dbraw/zinc/06/83/41/559068341.db2.gz GRHNJANWWIPAFY-AWEZNQCLSA-N 0 0 421.475 2.383 40 5 HEBBRN COc1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC ZINC000220402705 559074044 /nfs/dbraw/zinc/07/40/44/559074044.db2.gz LIZATFYCYGKVFH-LBPRGKRZSA-N 0 0 423.447 2.405 40 5 HEBBRN C[C@@H](C(=O)NCCN(C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220418856 559076963 /nfs/dbraw/zinc/07/69/63/559076963.db2.gz LOGDJKJUHQAQNJ-HNNXBMFYSA-N 0 0 420.491 2.002 40 5 HEBBRN CCC[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000071980340 559163564 /nfs/dbraw/zinc/16/35/64/559163564.db2.gz LZEXOQOEIGDXBX-OAHLLOKOSA-N 0 0 411.842 2.376 40 5 HEBBRN CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000408573161 559219110 /nfs/dbraw/zinc/21/91/10/559219110.db2.gz MKGOASIRTSEWJC-UHFFFAOYSA-N 0 0 413.430 2.499 40 5 HEBBRN CCS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc2c(c1)OCO2 ZINC000408703501 559225162 /nfs/dbraw/zinc/22/51/62/559225162.db2.gz SSNQDLICRNGGOU-UHFFFAOYSA-N 0 0 421.431 2.427 40 5 HEBBRN CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000409023664 559238931 /nfs/dbraw/zinc/23/89/31/559238931.db2.gz AZLZGEMXEBGLKQ-UHFFFAOYSA-N 0 0 409.489 2.269 40 5 HEBBRN COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)N(C)C1=S ZINC000409210406 559244750 /nfs/dbraw/zinc/24/47/50/559244750.db2.gz JNVROKJYFPEEDW-ZROIWOOFSA-N 0 0 401.400 2.428 40 5 HEBBRN CC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000101407757 560793355 /nfs/dbraw/zinc/79/33/55/560793355.db2.gz NBKPSVBOLWSLHR-INDMIFKZSA-N 0 0 404.382 2.062 40 5 HEBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000106765963 560893761 /nfs/dbraw/zinc/89/37/61/560893761.db2.gz PBTXIKJCUDWEAV-ZROIWOOFSA-N 0 0 421.431 2.358 40 5 HEBBRN CC[C@@H](C(=O)NCCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222513042 568761344 /nfs/dbraw/zinc/76/13/44/568761344.db2.gz YCEFXDRDJMRKIQ-SFHVURJKSA-N 0 0 405.476 2.498 40 5 HEBBRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccc(Cl)cc21 ZINC000022515418 568769125 /nfs/dbraw/zinc/76/91/25/568769125.db2.gz XFZZLARMYYFQPJ-HNNXBMFYSA-N 0 0 411.823 2.414 40 5 HEBBRN CCOc1cccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000030752495 568886955 /nfs/dbraw/zinc/88/69/55/568886955.db2.gz MPRIBRXGIBCXHQ-UHFFFAOYSA-N 0 0 407.448 2.076 40 5 HEBBRN O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000138895005 569214386 /nfs/dbraw/zinc/21/43/86/569214386.db2.gz BRJSELYEEHWUCS-UHFFFAOYSA-N 0 0 416.346 2.404 40 5 HEBBRN CCCn1nnc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000017091432 569273628 /nfs/dbraw/zinc/27/36/28/569273628.db2.gz FVJKHEIFZKNUPY-UHFFFAOYSA-N 0 0 418.483 2.108 40 5 HEBBRN COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224772280 569288899 /nfs/dbraw/zinc/28/88/99/569288899.db2.gz BADCLFRZORKINQ-UHFFFAOYSA-N 0 0 424.431 2.289 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000038856414 571087916 /nfs/dbraw/zinc/08/79/16/571087916.db2.gz WFELIZPHCUVUNJ-QGZVFWFLSA-N 0 0 421.431 2.159 40 5 HEBBRN CCOc1cccc(CNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000044845623 521348898 /nfs/dbraw/zinc/34/88/98/521348898.db2.gz VZXDRLYXFICUEH-UHFFFAOYSA-N 0 0 421.475 2.384 40 5 HEBBRN COc1cccc(-n2ccc3nc4ccn(-c5nnc(C)[nH]5)c(=O)c4cc3c2=O)c1 ZINC000040398592 525753971 /nfs/dbraw/zinc/75/39/71/525753971.db2.gz HZKARIZXRWWBPV-UHFFFAOYSA-N 0 0 400.398 2.125 40 5 HEBBRN COc1cc(OCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000219822701 558285605 /nfs/dbraw/zinc/28/56/05/558285605.db2.gz FSSGUSMHJNIRDV-UHFFFAOYSA-N 0 0 409.420 2.017 40 5 HEBBRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000013667840 558853054 /nfs/dbraw/zinc/85/30/54/558853054.db2.gz ZCLHBFAFDZQDSZ-IZZDOVSWSA-N 0 0 415.471 2.450 40 5 HEBBRN Cc1nc([N+](=O)[O-])cn1C[C@H](O)Cn1c(C)nc(Br)c1Br ZINC000008651731 558987079 /nfs/dbraw/zinc/98/70/79/558987079.db2.gz HJCRSYPTHYPQCW-QMMMGPOBSA-N 0 0 423.065 2.191 40 5 HEBBRN Cc1ccc(OCCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000022374795 558988400 /nfs/dbraw/zinc/98/84/00/558988400.db2.gz MRRLGWZLZMNLPS-UHFFFAOYSA-N 0 0 421.475 2.173 40 5 HEBBRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220409540 559074289 /nfs/dbraw/zinc/07/42/89/559074289.db2.gz JCGVIMVNIYNSBI-LLVKDONJSA-N 0 0 408.392 2.296 40 5 HEBBRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100090997 559131519 /nfs/dbraw/zinc/13/15/19/559131519.db2.gz HNHULONBMOKPMS-QYZOEREBSA-N 0 0 408.414 2.139 40 5 HEBBRN CN(C)c1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)n(C)c(=O)n2C ZINC000408526370 559215000 /nfs/dbraw/zinc/21/50/00/559215000.db2.gz BEMZGCSXQPJDAE-UHFFFAOYSA-N 0 0 414.378 2.012 40 5 HEBBRN Cc1ccc(N2C[C@H](C(=O)OCN3C(=O)c4ccccc4C3=O)CC2=O)cc1[N+](=O)[O-] ZINC000408650877 559223188 /nfs/dbraw/zinc/22/31/88/559223188.db2.gz BVHNGJLHSSIHJC-CYBMUJFWSA-N 0 0 423.381 2.053 40 5 HEBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000408651221 559223347 /nfs/dbraw/zinc/22/33/47/559223347.db2.gz NHYRDQWOSHDQNV-ZDUSSCGKSA-N 0 0 413.342 2.282 40 5 HEBBRN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704436 559225060 /nfs/dbraw/zinc/22/50/60/559225060.db2.gz NKUKDFOCXVNJJZ-LBPRGKRZSA-N 0 0 421.431 2.159 40 5 HEBBRN COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 ZINC000409138455 560682827 /nfs/dbraw/zinc/68/28/27/560682827.db2.gz CBBMZCGIVZWTSI-UHFFFAOYSA-N 0 0 409.420 2.017 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O ZINC000409217048 560697514 /nfs/dbraw/zinc/69/75/14/560697514.db2.gz RAGCCQFCCNLDFN-OQLLNIDSSA-N 0 0 414.349 2.274 40 5 HEBBRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc21 ZINC000020452149 568608746 /nfs/dbraw/zinc/60/87/46/568608746.db2.gz QTXSOUXQTZQGKB-HNNXBMFYSA-N 0 0 411.823 2.414 40 5 HEBBRN COc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000020489937 568613865 /nfs/dbraw/zinc/61/38/65/568613865.db2.gz HJYORWMEIDZQSW-ZDUSSCGKSA-N 0 0 407.448 2.247 40 5 HEBBRN Cc1ccc(OC[C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000022348137 568766634 /nfs/dbraw/zinc/76/66/34/568766634.db2.gz DSVQOOYAHPMKIW-OAHLLOKOSA-N 0 0 421.475 2.253 40 5 HEBBRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222912845 568825088 /nfs/dbraw/zinc/82/50/88/568825088.db2.gz OQVBWFJCHXUENL-OAHLLOKOSA-N 0 0 415.446 2.188 40 5 HEBBRN COc1ccccc1[C@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224148209 569052739 /nfs/dbraw/zinc/05/27/39/569052739.db2.gz LWVVCIZXMNEWDZ-ZDUSSCGKSA-N 0 0 407.448 2.247 40 5 HEBBRN O=C(NC(=S)Nc1ccccc1O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017082362 569273100 /nfs/dbraw/zinc/27/31/00/569273100.db2.gz KBQLVJQZRXMSSP-UHFFFAOYSA-N 0 0 402.432 2.264 40 5 HEBBRN CCOC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224748485 569287010 /nfs/dbraw/zinc/28/70/10/569287010.db2.gz XCKAQZJWEMXVPM-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN CCOC(=O)c1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224746359 569287011 /nfs/dbraw/zinc/28/70/11/569287011.db2.gz VASUPAOEIVXZRL-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224773916 569289040 /nfs/dbraw/zinc/28/90/40/569289040.db2.gz FFYSDGNDESKMGQ-UHFFFAOYSA-N 0 0 424.431 2.289 40 5 HEBBRN COC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225015410 569323448 /nfs/dbraw/zinc/32/34/48/569323448.db2.gz ZYNJZCMEAKHERP-UHFFFAOYSA-N 0 0 410.404 2.224 40 5 HEBBRN CCOC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225038179 569323463 /nfs/dbraw/zinc/32/34/63/569323463.db2.gz YKVMAEBVWTTWCE-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN COC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225078768 569324111 /nfs/dbraw/zinc/32/41/11/569324111.db2.gz MYVMICWAUCRLFR-UHFFFAOYSA-N 0 0 422.415 2.058 40 5 HEBBRN COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225085628 569325064 /nfs/dbraw/zinc/32/50/64/569325064.db2.gz HUKHXOPJTOTTGF-UHFFFAOYSA-N 0 0 422.415 2.043 40 5 HEBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)NCc2ccccc2)c1 ZINC000008433593 569340876 /nfs/dbraw/zinc/34/08/76/569340876.db2.gz GBYHSPDNOQLNFE-UHFFFAOYSA-N 0 0 415.402 2.182 40 5 HEBBRN COc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccccc2[N+](=O)[O-])n2nnnc2N3)cc1 ZINC000010295368 569343216 /nfs/dbraw/zinc/34/32/16/569343216.db2.gz ZUKWPIYSXJSILQ-QGZVFWFLSA-N 0 0 418.373 2.447 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000010357538 569344031 /nfs/dbraw/zinc/34/40/31/569344031.db2.gz RETBMQJCYPLNRJ-UHFFFAOYSA-N 0 0 421.431 2.079 40 5 HEBBRN COc1ccc(OC)c(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000010358440 569344053 /nfs/dbraw/zinc/34/40/53/569344053.db2.gz KNWFKJDUEQXROF-UHFFFAOYSA-N 0 0 423.447 2.325 40 5 HEBBRN CC(=O)Nc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000010433937 569344374 /nfs/dbraw/zinc/34/43/74/569344374.db2.gz ZRSZUJRRJWFAJJ-UHFFFAOYSA-N 0 0 420.447 2.266 40 5 HEBBRN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000019009036 569345177 /nfs/dbraw/zinc/34/51/77/569345177.db2.gz FRHIJJOYPFYXCT-UHFFFAOYSA-N 0 0 419.459 2.187 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O ZINC000113936896 569393629 /nfs/dbraw/zinc/39/36/29/569393629.db2.gz VDBNPEWJVJWRFA-UHFFFAOYSA-N 0 0 415.374 2.286 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCCc2ccccc21)S(C)(=O)=O ZINC000010449592 569396123 /nfs/dbraw/zinc/39/61/23/569396123.db2.gz LSNGLULPAHTABO-UHFFFAOYSA-N 0 0 419.459 2.349 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 ZINC000038856400 571087920 /nfs/dbraw/zinc/08/79/20/571087920.db2.gz BBUPFMZHXCQWTO-QGZVFWFLSA-N 0 0 421.431 2.078 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000038859796 571089844 /nfs/dbraw/zinc/08/98/44/571089844.db2.gz HKWQTKHMWOMBKF-KRWDZBQOSA-N 0 0 405.432 2.459 40 5 HEBBRN O=c1c2cc(OCO)ccc2[nH]c2cc3c(cc21)[nH]c1ccc(OCO)cc1c3=O ZINC000005386036 557650084 /nfs/dbraw/zinc/65/00/84/557650084.db2.gz VXTPYNRBNIWZHV-UHFFFAOYSA-N 0 0 404.378 2.333 40 5 HEBBRN CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581232 558845085 /nfs/dbraw/zinc/84/50/85/558845085.db2.gz ITEMLWLWHMQCNF-UHFFFAOYSA-N 0 0 411.411 2.392 40 5 HEBBRN COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220214700 559015997 /nfs/dbraw/zinc/01/59/97/559015997.db2.gz DLHODNGTDHMSAR-LBPRGKRZSA-N 0 0 423.447 2.405 40 5 HEBBRN COc1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)c1 ZINC000220402059 559074007 /nfs/dbraw/zinc/07/40/07/559074007.db2.gz OEIFOKWMBKDDCO-LBPRGKRZSA-N 0 0 423.447 2.405 40 5 HEBBRN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220406032 559074125 /nfs/dbraw/zinc/07/41/25/559074125.db2.gz ILUBODBROPOXCH-NSHDSACASA-N 0 0 407.404 2.117 40 5 HEBBRN CCOCCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000409113630 559241648 /nfs/dbraw/zinc/24/16/48/559241648.db2.gz DZFVIQJAHGHVTH-UHFFFAOYSA-N 0 0 421.475 2.333 40 5 HEBBRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100798551 559267093 /nfs/dbraw/zinc/26/70/93/559267093.db2.gz LFJYIJPHPSWGEJ-FHWLQOOXSA-N 0 0 408.414 2.139 40 5 HEBBRN COCCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408997815 560663268 /nfs/dbraw/zinc/66/32/68/560663268.db2.gz ITEFSJNPXYJJRR-SFHVURJKSA-N 0 0 401.419 2.195 40 5 HEBBRN COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000102332168 560810018 /nfs/dbraw/zinc/81/00/18/560810018.db2.gz YAKZLLQHIBDTLG-KRWDZBQOSA-N 0 0 411.414 2.302 40 5 HEBBRN COc1ccc(CN(C)C(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000220021970 568501372 /nfs/dbraw/zinc/50/13/72/568501372.db2.gz WPCUVAWTNZCWBW-UHFFFAOYSA-N 0 0 421.475 2.336 40 5 HEBBRN COCc1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 ZINC000223882986 569032107 /nfs/dbraw/zinc/03/21/07/569032107.db2.gz YUOWRPVDVJLRQK-UHFFFAOYSA-N 0 0 423.447 2.155 40 5 HEBBRN CCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc([N+](=O)[O-])cc3)N2N1 ZINC000588226847 569246227 /nfs/dbraw/zinc/24/62/27/569246227.db2.gz CZLAUODSACJCFI-SFHVURJKSA-N 0 0 409.471 2.271 40 5 HEBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224785075 569289536 /nfs/dbraw/zinc/28/95/36/569289536.db2.gz TXCRBCLSPROHDT-UHFFFAOYSA-N 0 0 423.403 2.488 40 5 HEBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000224840002 569292005 /nfs/dbraw/zinc/29/20/05/569292005.db2.gz FCBQHXMILQPKIM-UHFFFAOYSA-N 0 0 422.415 2.043 40 5 HEBBRN COc1cc2c(cc1OC)[C@@]13CC[N@@+]4([O-])CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34 ZINC000253687000 569318507 /nfs/dbraw/zinc/31/85/07/569318507.db2.gz HHHQMKWPZAYIAE-WAIXHZNCSA-N 0 0 410.470 2.122 40 5 in-vitro HEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O ZINC000113936893 569393565 /nfs/dbraw/zinc/39/35/65/569393565.db2.gz JLGIKXOKJHQJAV-UHFFFAOYSA-N 0 0 419.525 2.017 40 5 HEBBRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019169319 569414248 /nfs/dbraw/zinc/41/42/48/569414248.db2.gz HNHULONBMOKPMS-FHWLQOOXSA-N 0 0 408.414 2.139 40 5 HEBBRN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O ZINC000032124663 520775634 /nfs/dbraw/zinc/77/56/34/520775634.db2.gz QQJFLVDJUPKKHR-JYRVWZFOSA-N 0 0 412.445 2.279 40 5 HEBBRN Nc1nc(N2CCCCC2)nc2c1[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000020799913 527555360 /nfs/dbraw/zinc/55/53/60/527555360.db2.gz GCVLQQFRTDXGFW-LLVKDONJSA-N 0 0 411.422 2.022 40 5 HEBBRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000015717904 558749417 /nfs/dbraw/zinc/74/94/17/558749417.db2.gz ZAUUIDUDYYLPSH-BJMVGYQFSA-N 0 0 401.444 2.448 40 5 HEBBRN COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1OC ZINC000220024987 558825392 /nfs/dbraw/zinc/82/53/92/558825392.db2.gz QGWYVDCTIYLTAJ-UHFFFAOYSA-N 0 0 423.447 2.325 40 5 HEBBRN COc1cccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 ZINC000220170115 559009549 /nfs/dbraw/zinc/00/95/49/559009549.db2.gz GZOUVHOMPIKZRP-GFCCVEGCSA-N 0 0 423.447 2.405 40 5 HEBBRN COc1cccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 ZINC000220170059 559009643 /nfs/dbraw/zinc/00/96/43/559009643.db2.gz GZOUVHOMPIKZRP-LBPRGKRZSA-N 0 0 423.447 2.405 40 5 HEBBRN COc1ccccc1CNC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220405403 559074142 /nfs/dbraw/zinc/07/41/42/559074142.db2.gz LCUKEQPEZGSSJG-CYBMUJFWSA-N 0 0 407.448 2.074 40 5 HEBBRN Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220416910 559076832 /nfs/dbraw/zinc/07/68/32/559076832.db2.gz JDJVGDUCLUPLKZ-OAHLLOKOSA-N 0 0 421.475 2.253 40 5 HEBBRN C[C@H](C(=O)NCCCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220417142 559076851 /nfs/dbraw/zinc/07/68/51/559076851.db2.gz DXTGUSHBALBTFG-OAHLLOKOSA-N 0 0 405.476 2.498 40 5 HEBBRN CC(C)[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000101994171 559148877 /nfs/dbraw/zinc/14/88/77/559148877.db2.gz BSIKUHLEOMYPKY-AYMMHLMVSA-N 0 0 420.425 2.176 40 5 HEBBRN O=C(Oc1ccc(N2C(=O)CCC2=O)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408649939 559223339 /nfs/dbraw/zinc/22/33/39/559223339.db2.gz AQJQIZPJENOMFA-ZDUSSCGKSA-N 0 0 423.381 2.207 40 5 HEBBRN CCS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000408705315 559225168 /nfs/dbraw/zinc/22/51/68/559225168.db2.gz BYQRBICBVATCSB-UHFFFAOYSA-N 0 0 421.431 2.161 40 5 HEBBRN Cc1c(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000408702066 559225190 /nfs/dbraw/zinc/22/51/90/559225190.db2.gz ATDDWVCYGWSOIJ-UHFFFAOYSA-N 0 0 407.448 2.312 40 5 HEBBRN COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N(C)C1=S ZINC000409215295 560696782 /nfs/dbraw/zinc/69/67/82/560696782.db2.gz WZOMHPSFJTVTHT-ZROIWOOFSA-N 0 0 401.400 2.428 40 5 HEBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3C=CC=NN3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O ZINC000103938401 560845067 /nfs/dbraw/zinc/84/50/67/560845067.db2.gz MLVLTNRIXBWLPR-TWMKSMIVSA-N 0 0 410.430 2.232 40 5 HEBBRN COc1cccc(-c2noc(CNC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)n2)c1 ZINC000219829075 568498829 /nfs/dbraw/zinc/49/88/29/568498829.db2.gz VWWWOBQJBSRJTK-UHFFFAOYSA-N 0 0 414.374 2.357 40 5 HEBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020410877 568604778 /nfs/dbraw/zinc/60/47/78/568604778.db2.gz WJMCULJQMBKIHX-UHFFFAOYSA-N 0 0 402.363 2.357 40 5 HEBBRN Nc1nc(N2CCCCC2)nc2c1[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000020674007 568639440 /nfs/dbraw/zinc/63/94/40/568639440.db2.gz BMPXGSVCRFDNSW-CYBMUJFWSA-N 0 0 411.422 2.022 40 5 HEBBRN Cc1cccc(-c2noc(C(=O)NCCNC(=O)Cc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000021453217 568702449 /nfs/dbraw/zinc/70/24/49/568702449.db2.gz TXNVWMNHBFGUAO-UHFFFAOYSA-N 0 0 409.402 2.042 40 5 HEBBRN CC[C@@H](C(=O)NCc1ccccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222518400 568761291 /nfs/dbraw/zinc/76/12/91/568761291.db2.gz OZNBKUQTWKRHFL-KRWDZBQOSA-N 0 0 421.475 2.464 40 5 HEBBRN COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000006591370 569068467 /nfs/dbraw/zinc/06/84/67/569068467.db2.gz KJMZYFFMEVWJLW-MRXNPFEDSA-N 0 0 405.432 2.435 40 5 HEBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O)c1cccs1 ZINC000007881764 569338125 /nfs/dbraw/zinc/33/81/25/569338125.db2.gz LNNVHFUPGHIBQH-UHFFFAOYSA-N 0 0 401.400 2.436 40 5 HEBBRN COc1ccc(/C=C(\NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N2CCOCC2)cc1 ZINC000013126090 569409458 /nfs/dbraw/zinc/40/94/58/569409458.db2.gz GURGVJOHIGYMIH-RGEXLXHISA-N 0 0 411.414 2.233 40 5 HEBBRN CS(=O)(=O)C(Br)(Br)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000096520812 558963948 /nfs/dbraw/zinc/96/39/48/558963948.db2.gz KOXMMDKYDHGHPF-QMMMGPOBSA-N 0 0 403.048 2.116 40 5 HEBBRN COc1ccccc1N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000408559223 557456636 /nfs/dbraw/zinc/45/66/36/557456636.db2.gz YHECJRZVNRHCBE-UHFFFAOYSA-N 0 0 400.435 2.373 40 5 HEBBRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(N(C)S(C)(=O)=O)cc1OC ZINC000013582656 558845047 /nfs/dbraw/zinc/84/50/47/558845047.db2.gz KLSHOZSBJBCVEJ-UHFFFAOYSA-N 0 0 409.420 2.260 40 5 HEBBRN COc1ccccc1CNC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220405471 559074155 /nfs/dbraw/zinc/07/41/55/559074155.db2.gz LCUKEQPEZGSSJG-ZDUSSCGKSA-N 0 0 407.448 2.074 40 5 HEBBRN C[C@H](C(=O)NCCN(C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220418920 559076949 /nfs/dbraw/zinc/07/69/49/559076949.db2.gz LOGDJKJUHQAQNJ-OAHLLOKOSA-N 0 0 420.491 2.002 40 5 HEBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(OC)c1OC ZINC000408564481 559218556 /nfs/dbraw/zinc/21/85/56/559218556.db2.gz DERYXWKAQNFNFA-JBZDTAIVSA-N 0 0 413.430 2.234 40 5 HEBBRN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCOCC1 ZINC000408613078 559221572 /nfs/dbraw/zinc/22/15/72/559221572.db2.gz ZTTJAACRGCRCIV-UHFFFAOYSA-N 0 0 405.432 2.176 40 5 HEBBRN O=C(Oc1ccc(N2C(=O)CCC2=O)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408649936 559223329 /nfs/dbraw/zinc/22/33/29/559223329.db2.gz AQJQIZPJENOMFA-CYBMUJFWSA-N 0 0 423.381 2.207 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000408679478 559223929 /nfs/dbraw/zinc/22/39/29/559223929.db2.gz LYXOZCCKULKORX-UHFFFAOYSA-N 0 0 415.374 2.286 40 5 HEBBRN CCOC(=O)[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)NS(=O)(=O)c1ccccc1 ZINC000005325973 560564669 /nfs/dbraw/zinc/56/46/69/560564669.db2.gz DUIPUJOJNWQGBK-OAHLLOKOSA-N 0 0 408.432 2.056 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=CC=NN3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O ZINC000104001751 560847539 /nfs/dbraw/zinc/84/75/39/560847539.db2.gz QDGKZHNFOUFZDW-XBVQOTNRSA-N 0 0 410.430 2.232 40 5 HEBBRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222627292 568765793 /nfs/dbraw/zinc/76/57/93/568765793.db2.gz CYHYQSYHRPGHNQ-ZDUSSCGKSA-N 0 0 419.409 2.285 40 5 HEBBRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222912894 568825133 /nfs/dbraw/zinc/82/51/33/568825133.db2.gz OQVBWFJCHXUENL-HNNXBMFYSA-N 0 0 415.446 2.188 40 5 HEBBRN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(C)c1 ZINC000223248939 568928062 /nfs/dbraw/zinc/92/80/62/568928062.db2.gz XCRSMLXKJMAEFO-UHFFFAOYSA-N 0 0 407.448 2.479 40 5 HEBBRN O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000038302637 568985475 /nfs/dbraw/zinc/98/54/75/568985475.db2.gz SWYQUFPWYBDZLR-UHFFFAOYSA-N 0 0 412.446 2.299 40 5 HEBBRN CC[NH+](CC)CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000035191286 569005098 /nfs/dbraw/zinc/00/50/98/569005098.db2.gz UAWZXTCUDVFEMB-UHFFFAOYSA-N 0 0 420.491 2.467 40 5 HEBBRN CN(C)S(=O)(=O)c1ccc(OCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000224196381 569056227 /nfs/dbraw/zinc/05/62/27/569056227.db2.gz VUIVDUOQENETMT-IZZDOVSWSA-N 0 0 419.459 2.054 40 5 HEBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=CC=NN1[C@@H]2C(=O)C(C)(C)C ZINC000006922141 569182512 /nfs/dbraw/zinc/18/25/12/569182512.db2.gz MLVLTNRIXBWLPR-VQHPVUNQSA-N 0 0 410.430 2.232 40 5 HEBBRN Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000016740348 569262069 /nfs/dbraw/zinc/26/20/69/569262069.db2.gz CPTQHVGIWJEFHM-UHFFFAOYSA-N 0 0 418.475 2.092 40 5 HEBBRN CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016940278 569267828 /nfs/dbraw/zinc/26/78/28/569267828.db2.gz SMYBRYXJNMYXQZ-VXGBXAGGSA-N 0 0 413.408 2.469 40 5 HEBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224756369 569287405 /nfs/dbraw/zinc/28/74/05/569287405.db2.gz WUDOLOUHXATNCU-UHFFFAOYSA-N 0 0 409.376 2.180 40 5 HEBBRN COC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224762761 569288559 /nfs/dbraw/zinc/28/85/59/569288559.db2.gz QUASXNAOOJUNJV-UHFFFAOYSA-N 0 0 410.404 2.224 40 5 HEBBRN COC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224771622 569288928 /nfs/dbraw/zinc/28/89/28/569288928.db2.gz ADAVGQUFXUFXEA-UHFFFAOYSA-N 0 0 422.415 2.058 40 5 HEBBRN COC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225090791 569325376 /nfs/dbraw/zinc/32/53/76/569325376.db2.gz UOBRWKDLSFJXAY-UHFFFAOYSA-N 0 0 422.415 2.058 40 5 HEBBRN COc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2ccccc2[N+](=O)[O-])n2nnnc2N3)cc1 ZINC000010295376 569343244 /nfs/dbraw/zinc/34/32/44/569343244.db2.gz ZUKWPIYSXJSILQ-KRWDZBQOSA-N 0 0 418.373 2.447 40 5 HEBBRN O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O)N1CCOCC1 ZINC000214300422 569380876 /nfs/dbraw/zinc/38/08/76/569380876.db2.gz PCTMSMAYDYSVQM-MDWZMJQESA-N 0 0 411.823 2.143 40 5 HEBBRN COc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c(OC)c1OC ZINC000066020479 569393837 /nfs/dbraw/zinc/39/38/37/569393837.db2.gz GHANVCATOKUKFU-UHFFFAOYSA-N 0 0 406.391 2.324 40 5 HEBBRN C[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccnc2)n1 ZINC000329067612 569425037 /nfs/dbraw/zinc/42/50/37/569425037.db2.gz YJEUKPGGXAVZNH-NSHDSACASA-N 0 0 400.826 2.480 40 5 HEBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccccc3)nn21 ZINC000040375297 522979185 /nfs/dbraw/zinc/97/91/85/522979185.db2.gz DEIZIUASTIATLK-CQSZACIVSA-N 0 0 408.374 2.384 40 5 HEBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 ZINC000040399224 527261908 /nfs/dbraw/zinc/26/19/08/527261908.db2.gz PTJOYNNXEAKHRS-CQSZACIVSA-N 0 0 420.385 2.486 40 5 HEBBRN Nc1n[nH]c(SCC(=O)NCCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000020435730 527558220 /nfs/dbraw/zinc/55/82/20/527558220.db2.gz RJVXJZLGDWXFCJ-UHFFFAOYSA-N 0 0 419.389 2.024 40 5 HEBBRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000016347359 558787277 /nfs/dbraw/zinc/78/72/77/558787277.db2.gz OYBOCECBDGBZKV-UHFFFAOYSA-N 0 0 411.411 2.310 40 5 HEBBRN COc1ccccc1-n1ccc2nc3ccn(-n4c(C)nnc4C)c(=O)c3cc2c1=O ZINC000038829284 558816257 /nfs/dbraw/zinc/81/62/57/558816257.db2.gz GBYHIBATLDGXKL-UHFFFAOYSA-N 0 0 414.425 2.229 40 5 HEBBRN Cc1c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220029015 558825371 /nfs/dbraw/zinc/82/53/71/558825371.db2.gz JZOMATAZSLGMNN-UHFFFAOYSA-N 0 0 408.392 2.216 40 5 HEBBRN CCOC(=O)c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000013647610 558850334 /nfs/dbraw/zinc/85/03/34/558850334.db2.gz AWZDUXIQXBGWLV-UHFFFAOYSA-N 0 0 421.431 2.176 40 5 HEBBRN CS(=O)(=O)[C@@](Cl)(I)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096518229 558963224 /nfs/dbraw/zinc/96/32/24/558963224.db2.gz YMPAXHGFZWNFRI-VIFPVBQESA-N 0 0 403.581 2.150 40 5 HEBBRN COC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220401734 559074075 /nfs/dbraw/zinc/07/40/75/559074075.db2.gz TURBXKCQKRJFMA-LBPRGKRZSA-N 0 0 421.431 2.175 40 5 HEBBRN CCOc1ccccc1CNC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220419615 559076901 /nfs/dbraw/zinc/07/69/01/559076901.db2.gz SLFFQWMBMJZKJB-CQSZACIVSA-N 0 0 421.475 2.464 40 5 HEBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c([N+](=O)[O-])c1 ZINC000408572526 559218764 /nfs/dbraw/zinc/21/87/64/559218764.db2.gz JGGQOYTYUSDSHV-UHFFFAOYSA-N 0 0 418.362 2.235 40 5 HEBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(OC)c1OC ZINC000408564484 559218766 /nfs/dbraw/zinc/21/87/66/559218766.db2.gz DERYXWKAQNFNFA-LPLGYCIKSA-N 0 0 413.430 2.234 40 5 HEBBRN O=C(COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1)N1CCCCC1 ZINC000408605537 559221073 /nfs/dbraw/zinc/22/10/73/559221073.db2.gz LYJGQLXETVVYQT-RMKNXTFCSA-N 0 0 400.391 2.358 40 5 HEBBRN Cc1cccnc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000408623933 559221797 /nfs/dbraw/zinc/22/17/97/559221797.db2.gz SWBOUMPAKGLLLS-UHFFFAOYSA-N 0 0 401.448 2.262 40 5 HEBBRN Cc1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)C(=O)[O-])o1 ZINC000408632086 559222439 /nfs/dbraw/zinc/22/24/39/559222439.db2.gz PQBNIZFZUZAVDA-XNTDXEJSSA-N 0 0 405.436 2.256 40 5 HEBBRN O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000004982721 560623273 /nfs/dbraw/zinc/62/32/73/560623273.db2.gz IONXSTIZFDROLV-UHFFFAOYSA-N 0 0 409.489 2.373 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000409120973 560679660 /nfs/dbraw/zinc/67/96/60/560679660.db2.gz XEPPDQPTZIQLPK-UHFFFAOYSA-N 0 0 409.420 2.017 40 5 HEBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1N=CC=C[C@@H]21 ZINC000103938395 560845080 /nfs/dbraw/zinc/84/50/80/560845080.db2.gz MLVLTNRIXBWLPR-NXOAAHMSSA-N 0 0 410.430 2.232 40 5 HEBBRN CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1N=Cc3ccccc3[C@@H]21 ZINC000104272350 560850126 /nfs/dbraw/zinc/85/01/26/560850126.db2.gz OUFAZERCQOPLKE-YRXWBPOGSA-N 0 0 418.409 2.172 40 5 HEBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCO1 ZINC000044802943 560897280 /nfs/dbraw/zinc/89/72/80/560897280.db2.gz JISHUNWDDYUUEZ-INIZCTEOSA-N 0 0 419.459 2.085 40 5 HEBBRN COc1ccccc1CN(C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000020452822 568608787 /nfs/dbraw/zinc/60/87/87/568608787.db2.gz XDSSIXWGFCDKSB-UHFFFAOYSA-N 0 0 407.448 2.028 40 5 HEBBRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222482847 568760712 /nfs/dbraw/zinc/76/07/12/568760712.db2.gz QLOYDLRAOBSXKF-OAHLLOKOSA-N 0 0 415.446 2.454 40 5 HEBBRN COC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015975123 569025152 /nfs/dbraw/zinc/02/51/52/569025152.db2.gz RLECGFLZYIEZDY-WJFTUGDTSA-N 0 0 419.393 2.283 40 5 HEBBRN COc1ccc(-c2noc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000223591275 569030573 /nfs/dbraw/zinc/03/05/73/569030573.db2.gz HVGFHBJTDMRSKW-UHFFFAOYSA-N 0 0 420.403 2.141 40 5 HEBBRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000006236807 569033769 /nfs/dbraw/zinc/03/37/69/569033769.db2.gz UNOHLDXANUPICD-UHFFFAOYSA-N 0 0 409.851 2.395 40 5 HEBBRN Cc1ccccc1OCCNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224058273 569041815 /nfs/dbraw/zinc/04/18/15/569041815.db2.gz SNDYJUQJTFXNTG-UHFFFAOYSA-N 0 0 421.475 2.173 40 5 HEBBRN COCc1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000224059228 569041816 /nfs/dbraw/zinc/04/18/16/569041816.db2.gz XJQYWIVRVIBUNT-UHFFFAOYSA-N 0 0 407.448 2.454 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O ZINC000224058190 569041841 /nfs/dbraw/zinc/04/18/41/569041841.db2.gz JAPRDICVCKNZLJ-UHFFFAOYSA-N 0 0 409.439 2.167 40 5 HEBBRN CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000224745711 569286890 /nfs/dbraw/zinc/28/68/90/569286890.db2.gz XBUSHKGCGCPAFT-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2cccs2)CC1=O ZINC000007881652 569338149 /nfs/dbraw/zinc/33/81/49/569338149.db2.gz HAZWAYUAGRPWQT-NSHDSACASA-N 0 0 404.400 2.444 40 5 HEBBRN C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000008038747 569339062 /nfs/dbraw/zinc/33/90/62/569339062.db2.gz CSDAJIPTNWMUHE-GDBMZVCRSA-N 0 0 411.414 2.368 40 5 HEBBRN C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000008433874 569340978 /nfs/dbraw/zinc/34/09/78/569340978.db2.gz VQFYACFLFDNOII-HOCLYGCPSA-N 0 0 411.414 2.368 40 5 HEBBRN COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000008433891 569340986 /nfs/dbraw/zinc/34/09/86/569340986.db2.gz AFARZWDOBIIRFU-ZDUSSCGKSA-N 0 0 413.386 2.138 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCc1ccccc1)S(C)(=O)=O ZINC000010110327 569342815 /nfs/dbraw/zinc/34/28/15/569342815.db2.gz GJZGNOZJSQZRDR-UHFFFAOYSA-N 0 0 405.476 2.418 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCc2ccccc2C1)S(C)(=O)=O ZINC000010324033 569395667 /nfs/dbraw/zinc/39/56/67/569395667.db2.gz YZPPZALDRBSHHM-UHFFFAOYSA-N 0 0 403.460 2.254 40 5 HEBBRN Cc1nc([N+](=O)[O-])cn1C[C@@H](O)Cn1c(C)nc(Br)c1Br ZINC000013212324 569410313 /nfs/dbraw/zinc/41/03/13/569410313.db2.gz HJCRSYPTHYPQCW-MRVPVSSYSA-N 0 0 423.065 2.191 40 5 HEBBRN Cc1cc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000005736176 132307890 /nfs/dbraw/zinc/30/78/90/132307890.db2.gz IVMLBLQPSHQYCC-UHFFFAOYSA-N 0 0 418.475 2.237 40 5 HEBBRN CC[C@@H](C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O ZINC000008997069 132334784 /nfs/dbraw/zinc/33/47/84/132334784.db2.gz FTULSNBLRBFGCO-RRBXVBTKSA-N 0 0 400.435 2.373 40 5 HEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000225859629 525469971 /nfs/dbraw/zinc/46/99/71/525469971.db2.gz SNXDNGJOJDRITL-LBPRGKRZSA-N 0 0 423.447 2.405 40 5 HEBBRN COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000016347364 558787312 /nfs/dbraw/zinc/78/73/12/558787312.db2.gz KNPWMYNEERHWDU-UHFFFAOYSA-N 0 0 423.447 2.180 40 5 HEBBRN Cc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000220033523 558945836 /nfs/dbraw/zinc/94/58/36/558945836.db2.gz CISOXZPOZTUIED-UHFFFAOYSA-N 0 0 421.475 2.173 40 5 HEBBRN CS(=O)(=O)C(Br)(Br)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000096518467 558963213 /nfs/dbraw/zinc/96/32/13/558963213.db2.gz MNWZBYRXFLNWOE-UHFFFAOYSA-N 0 0 401.032 2.266 40 5 HEBBRN CS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000096519986 558963649 /nfs/dbraw/zinc/96/36/49/558963649.db2.gz PAQOSPNLCDYULN-DTWKUNHWSA-N 0 0 405.597 2.000 40 5 HEBBRN COc1ccc(CNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000220384201 559068353 /nfs/dbraw/zinc/06/83/53/559068353.db2.gz GRHNJANWWIPAFY-CQSZACIVSA-N 0 0 421.475 2.383 40 5 HEBBRN COC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220403219 559074126 /nfs/dbraw/zinc/07/41/26/559074126.db2.gz LEIOAELSXNVSIZ-LBPRGKRZSA-N 0 0 421.431 2.175 40 5 HEBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/N=c2\snnn2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000100369787 559197493 /nfs/dbraw/zinc/19/74/93/559197493.db2.gz OKSKQUGSTSZWRU-PFONDFGASA-N 0 0 403.336 2.345 40 5 HEBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O ZINC000409075541 559239762 /nfs/dbraw/zinc/23/97/62/559239762.db2.gz RNHVMSGQBDLNRF-SAIXKJTDSA-N 0 0 421.431 2.029 40 5 HEBBRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000005392558 560578632 /nfs/dbraw/zinc/57/86/32/560578632.db2.gz VMJOAYDMBHCWSN-UHFFFAOYSA-N 0 0 403.460 2.358 40 5 HEBBRN COc1ccc(C)cc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000409409255 560722813 /nfs/dbraw/zinc/72/28/13/560722813.db2.gz GMNSVFAYEKFFKR-UHFFFAOYSA-N 0 0 423.447 2.325 40 5 HEBBRN CCOc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 ZINC000108022823 560897638 /nfs/dbraw/zinc/89/76/38/560897638.db2.gz FXIBNYIMMCESEN-UHFFFAOYSA-N 0 0 423.447 2.407 40 5 HEBBRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222436163 568758763 /nfs/dbraw/zinc/75/87/63/568758763.db2.gz IGCANWFCSXMXBX-OAHLLOKOSA-N 0 0 415.446 2.454 40 5 HEBBRN CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222518632 568761478 /nfs/dbraw/zinc/76/14/78/568761478.db2.gz LXXWOXFTNDWSKE-GOSISDBHSA-N 0 0 421.475 2.464 40 5 HEBBRN COc1ccccc1CCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000022347921 568766648 /nfs/dbraw/zinc/76/66/48/568766648.db2.gz OOAMCUSHFAQQAV-UHFFFAOYSA-N 0 0 421.475 2.118 40 5 HEBBRN CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000223774568 569031631 /nfs/dbraw/zinc/03/16/31/569031631.db2.gz JOMQDNMTGUCJHM-UHFFFAOYSA-N 0 0 411.867 2.373 40 5 HEBBRN Cc1cccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C ZINC000223915294 569032565 /nfs/dbraw/zinc/03/25/65/569032565.db2.gz VLRPWSGILNBMKA-UHFFFAOYSA-N 0 0 421.475 2.173 40 5 HEBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOCc1ccccc1)S(C)(=O)=O ZINC000224058512 569041828 /nfs/dbraw/zinc/04/18/28/569041828.db2.gz OFCREEIALANODA-UHFFFAOYSA-N 0 0 421.475 2.002 40 5 HEBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224652016 569280213 /nfs/dbraw/zinc/28/02/13/569280213.db2.gz JCIZQMGPJVVZDS-UHFFFAOYSA-N 0 0 424.431 2.289 40 5 HEBBRN COC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224753409 569287455 /nfs/dbraw/zinc/28/74/55/569287455.db2.gz ADYWQSCTOSJZJA-UHFFFAOYSA-N 0 0 422.415 2.058 40 5 HEBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225009687 569322161 /nfs/dbraw/zinc/32/21/61/569322161.db2.gz PKWYVMAXQCWWGB-UHFFFAOYSA-N 0 0 409.376 2.180 40 5 HEBBRN COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000008433890 569340987 /nfs/dbraw/zinc/34/09/87/569340987.db2.gz AFARZWDOBIIRFU-CYBMUJFWSA-N 0 0 413.386 2.138 40 5 HEBBRN O=c1[nH]nc(-c2cccc([N+](=O)[O-])c2)c2c1Nc1nnnn1[C@H]2c1ccc(O)cc1 ZINC000010296742 569343259 /nfs/dbraw/zinc/34/32/59/569343259.db2.gz UADUYVHEWJYIJC-INIZCTEOSA-N 0 0 404.346 2.144 40 5 HEBBRN CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@H](c1ccc([N+](=O)[O-])o1)N=2 ZINC000108216776 569353483 /nfs/dbraw/zinc/35/34/83/569353483.db2.gz VWFPEXZZRNDPBC-XCHKQJEOSA-N 0 0 405.432 2.160 40 5 HEBBRN COc1ccc(-c2nnc3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OC ZINC000009189109 569391648 /nfs/dbraw/zinc/39/16/48/569391648.db2.gz IXOLRBMQGVUNIL-CXUHLZMHSA-N 0 0 410.411 2.291 40 5 HEBBRN CCOc1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 ZINC000010294689 569395558 /nfs/dbraw/zinc/39/55/58/569395558.db2.gz NUVUNIKCCJTUEA-UHFFFAOYSA-N 0 0 423.447 2.407 40 5 HEBBRN COc1ccc(Nc2cc(C(F)(F)F)nc(N[C@@H](CO)C(C)C)n2)c([N+](=O)[O-])c1 ZINC000328956544 569422755 /nfs/dbraw/zinc/42/27/55/569422755.db2.gz AHCFUULAFVFKAM-LBPRGKRZSA-N 0 0 415.372 2.428 40 5 HEBBRN O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(-c2cccnc2)nc(NCCCO)n1 ZINC000328965243 569422824 /nfs/dbraw/zinc/42/28/24/569422824.db2.gz CBLXPVHQQJXHKH-UHFFFAOYSA-N 0 0 400.826 2.482 40 5 HEBBRN CC1(C)O[C@H]2[C@H](O1)O[C@H](COC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1OC(C)(C)O[C@H]21 ZINC000245229916 571217479 /nfs/dbraw/zinc/21/74/79/571217479.db2.gz IKRMVZVASOBSSJ-HNLJFRNMSA-N 0 0 409.391 2.148 40 5 HEBBRN Cc1c2c(c3ccccc3n2C)c(CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2cnccc12 ZINC000005486950 557656994 /nfs/dbraw/zinc/65/69/94/557656994.db2.gz JRIGURFJUAUMBB-OUFMZXHOSA-N 0 0 408.454 2.144 40 5 HEBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(OC)c1OC ZINC000408564478 559218364 /nfs/dbraw/zinc/21/83/64/559218364.db2.gz DERYXWKAQNFNFA-DRWCTHJISA-N 0 0 413.430 2.234 40 5 HEBBRN COCCNC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1C ZINC000408602841 559220598 /nfs/dbraw/zinc/22/05/98/559220598.db2.gz JKEMNUOQXZKASI-UHFFFAOYSA-N 0 0 407.448 2.389 40 5 HEBBRN O=C(NC(=S)NNc1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000408627122 559222056 /nfs/dbraw/zinc/22/20/56/559222056.db2.gz KKTSMGGTLJSJOU-UHFFFAOYSA-N 0 0 401.448 2.063 40 5 HEBBRN O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 ZINC000408662557 559223635 /nfs/dbraw/zinc/22/36/35/559223635.db2.gz JXRFZHZECITJCI-UHFFFAOYSA-N 0 0 416.346 2.404 40 5 HEBBRN O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408679648 559223913 /nfs/dbraw/zinc/22/39/13/559223913.db2.gz GUDXVFWLFZLXMJ-YJBOKZPZSA-N 0 0 423.425 2.097 40 5 HEBBRN CCOc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000409146244 559242378 /nfs/dbraw/zinc/24/23/78/559242378.db2.gz KHFLAEIBROQTKO-UHFFFAOYSA-N 0 0 423.447 2.407 40 5 HEBBRN CCOc1ccccc1CNC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000220035225 568501482 /nfs/dbraw/zinc/50/14/82/568501482.db2.gz VJTDBBIYKDYDKT-UHFFFAOYSA-N 0 0 421.475 2.384 40 5 HEBBRN CCOC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224749785 568595150 /nfs/dbraw/zinc/59/51/50/568595150.db2.gz ROMDHUZTATYNBR-UHFFFAOYSA-N 0 0 408.388 2.082 40 5 HEBBRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222627232 568765858 /nfs/dbraw/zinc/76/58/58/568765858.db2.gz CYHYQSYHRPGHNQ-CYBMUJFWSA-N 0 0 419.409 2.285 40 5 HEBBRN COc1cccc(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000022347925 568766584 /nfs/dbraw/zinc/76/65/84/568766584.db2.gz AWDZNDHMLTXJJI-UHFFFAOYSA-N 0 0 421.475 2.118 40 5 HEBBRN CCOc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 ZINC000022391063 568767167 /nfs/dbraw/zinc/76/71/67/568767167.db2.gz XNMGHDRPXLPXRM-UHFFFAOYSA-N 0 0 423.447 2.407 40 5 HEBBRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000224130148 569052354 /nfs/dbraw/zinc/05/23/54/569052354.db2.gz KMSVOJDLTLLRHZ-UHFFFAOYSA-N 0 0 407.448 2.425 40 5 HEBBRN Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000138555267 569135724 /nfs/dbraw/zinc/13/57/24/569135724.db2.gz UTSIDBWHFGVVPK-UHFFFAOYSA-N 0 0 421.435 2.354 40 5 HEBBRN COC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224775057 569289060 /nfs/dbraw/zinc/28/90/60/569289060.db2.gz VSUKXXXOSSSPLF-UHFFFAOYSA-N 0 0 422.415 2.058 40 5 HEBBRN COC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225034353 569323846 /nfs/dbraw/zinc/32/38/46/569323846.db2.gz YFGBKEGDTBQFPR-UHFFFAOYSA-N 0 0 422.415 2.058 40 5 HEBBRN COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225076341 569323990 /nfs/dbraw/zinc/32/39/90/569323990.db2.gz WVZFVEGDZQUKKQ-UHFFFAOYSA-N 0 0 424.431 2.289 40 5 HEBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225208273 569374590 /nfs/dbraw/zinc/37/45/90/569374590.db2.gz XPLGKWTYLXUIMT-CQSZACIVSA-N 0 0 401.419 2.146 40 5 HEBBRN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019169609 569414362 /nfs/dbraw/zinc/41/43/62/569414362.db2.gz LFJYIJPHPSWGEJ-QYZOEREBSA-N 0 0 408.414 2.139 40 5 HEBBRN COCCCn1c(=O)c2nc3ccccc3c(=O)n2nc1C(Cl)(Cl)Cl ZINC000001872268 557293581 /nfs/dbraw/zinc/29/35/81/557293581.db2.gz MDPCPDDRZXJBET-UHFFFAOYSA-N 0 0 403.653 2.268 40 5 HEBBRN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)Oc2ccccc21 ZINC000013677710 558854315 /nfs/dbraw/zinc/85/43/15/558854315.db2.gz YYXHZTAPANSACW-KRWDZBQOSA-N 0 0 405.432 2.459 40 5 HEBBRN CS(=O)(=O)[C@@](Cl)(I)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000096518235 558963198 /nfs/dbraw/zinc/96/31/98/558963198.db2.gz NNNKIFUMKXKDQC-VIFPVBQESA-N 0 0 403.581 2.150 40 5 HEBBRN COc1ccc(CCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220405725 559074141 /nfs/dbraw/zinc/07/41/41/559074141.db2.gz YAMREBGTGUCMEJ-CQSZACIVSA-N 0 0 421.475 2.117 40 5 HEBBRN Cc1ccc(N2C[C@@H](C(=O)OCN3C(=O)c4ccccc4C3=O)CC2=O)cc1[N+](=O)[O-] ZINC000408650886 559223221 /nfs/dbraw/zinc/22/32/21/559223221.db2.gz BVHNGJLHSSIHJC-ZDUSSCGKSA-N 0 0 423.381 2.053 40 5 HEBBRN CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1c3ccccc3C=NN1[C@@H]2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000100690763 559256676 /nfs/dbraw/zinc/25/66/76/559256676.db2.gz AYYWAUVPDVVMLV-MKXGPGLRSA-N 0 0 418.409 2.172 40 5 HEBBRN CCOCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409110564 560677858 /nfs/dbraw/zinc/67/78/58/560677858.db2.gz WMLLNXKLJMUTFY-UHFFFAOYSA-N 0 0 421.475 2.333 40 5 HEBBRN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12)c1ccccc1 ZINC000103523389 560842970 /nfs/dbraw/zinc/84/29/70/560842970.db2.gz FLBVUNVQDLPVID-AKHDSKFASA-N 0 0 416.393 2.192 40 5 HEBBRN O=C(C1=C2C(O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12)c1ccccc1 ZINC000103523395 560842990 /nfs/dbraw/zinc/84/29/90/560842990.db2.gz FLBVUNVQDLPVID-NCXUSEDFSA-N 0 0 416.393 2.192 40 5 HEBBRN CCOC(=O)c1ccc(N(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(C)=O)cc1 ZINC000000778016 568473661 /nfs/dbraw/zinc/47/36/61/568473661.db2.gz YAACZFHHAPFOKC-UHFFFAOYSA-N 0 0 411.370 2.378 40 5 HEBBRN Nn1c(SCCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1O ZINC000020508409 568619784 /nfs/dbraw/zinc/61/97/84/568619784.db2.gz HKBQFBGDFRGLIY-UHFFFAOYSA-N 0 0 400.420 2.394 40 5 HEBBRN CC[C@H](C(=O)NCc1ccccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222518474 568761473 /nfs/dbraw/zinc/76/14/73/568761473.db2.gz OZNBKUQTWKRHFL-QGZVFWFLSA-N 0 0 421.475 2.464 40 5 HEBBRN COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224773102 569289047 /nfs/dbraw/zinc/28/90/47/569289047.db2.gz XFSUYKSUKJLOHJ-UHFFFAOYSA-N 0 0 424.431 2.289 40 5 HEBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000224809712 569290021 /nfs/dbraw/zinc/29/00/21/569290021.db2.gz BSOFEMXPNCQULV-UHFFFAOYSA-N 0 0 424.431 2.370 40 5 HEBBRN CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000225038368 569323468 /nfs/dbraw/zinc/32/34/68/569323468.db2.gz XACDMJUXRWFYDK-UHFFFAOYSA-N 0 0 422.415 2.140 40 5 HEBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225087445 569325133 /nfs/dbraw/zinc/32/51/33/569325133.db2.gz SPMHNMJWERUXGN-UHFFFAOYSA-N 0 0 423.403 2.488 40 5 HEBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(F)cc1 ZINC000008433877 569340998 /nfs/dbraw/zinc/34/09/98/569340998.db2.gz WPZRJLZPAFJSDB-LBPRGKRZSA-N 0 0 401.350 2.269 40 5 HEBBRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000033769802 569351325 /nfs/dbraw/zinc/35/13/25/569351325.db2.gz ILHOFPFQAYLTKX-GFCCVEGCSA-N 0 0 423.447 2.226 40 5 HEBBRN CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113893488 569393424 /nfs/dbraw/zinc/39/34/24/569393424.db2.gz YEUPTOMAHQNKKX-UHFFFAOYSA-N 0 0 424.431 2.370 40 5 HEBBRN