smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000029433783 551126534 /nfs/dbraw/zinc/12/65/34/551126534.db2.gz VOBWBOAGRGKZFW-UHFFFAOYSA-N -1 0 389.792 2.592 20 5 GFBDRM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000121345112 551232262 /nfs/dbraw/zinc/23/22/62/551232262.db2.gz XDMWSQYCWIBEHJ-UHFFFAOYSA-N -1 0 383.813 2.717 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1nncn1-c1ccccc1 ZINC000126837963 551333142 /nfs/dbraw/zinc/33/31/42/551333142.db2.gz JWGCXKBVGINPGV-UHFFFAOYSA-N -1 0 379.785 2.630 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000130807570 551369074 /nfs/dbraw/zinc/36/90/74/551369074.db2.gz DCQQESZKNWSGAD-UHFFFAOYSA-N -1 0 388.192 2.974 20 5 GFBDRM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000131253700 551373623 /nfs/dbraw/zinc/37/36/23/551373623.db2.gz YTLARUPNIXYOCK-UHFFFAOYSA-N -1 0 390.204 2.801 20 5 GFBDRM Cc1cc(I)cnc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000164295501 551624998 /nfs/dbraw/zinc/62/49/98/551624998.db2.gz JWBNNKDWROFJGG-UHFFFAOYSA-N -1 0 399.144 2.861 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2nc3c(s2)COCC3)cc1[N+](=O)[O-] ZINC000172316136 551676142 /nfs/dbraw/zinc/67/61/42/551676142.db2.gz GRPHMQFWEFFUHA-UHFFFAOYSA-N -1 0 389.842 2.887 20 5 GFBDRM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000191787638 552537854 /nfs/dbraw/zinc/53/78/54/552537854.db2.gz IYKSAAIGQUAQKD-UHFFFAOYSA-N -1 0 383.813 2.765 20 5 GFBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000191796954 552538277 /nfs/dbraw/zinc/53/82/77/552538277.db2.gz NUZKFVZTSHDKSA-UHFFFAOYSA-N -1 0 378.332 2.771 20 5 GFBDRM O=C([O-])c1cc(C(=O)NCc2nc(C(F)(F)F)cs2)cc([N+](=O)[O-])c1 ZINC000237983761 553084678 /nfs/dbraw/zinc/08/46/78/553084678.db2.gz GEUFEYCNCNTMGT-UHFFFAOYSA-N -1 0 375.284 2.698 20 5 GFBDRM C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[C@H]1C(=O)[O-] ZINC000263033932 553181035 /nfs/dbraw/zinc/18/10/35/553181035.db2.gz RCAQJAOQSKZASF-VXNVDRBHSA-N -1 0 389.177 2.679 20 5 GFBDRM CC(C)n1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000280863313 563358028 /nfs/dbraw/zinc/35/80/28/563358028.db2.gz CKTWZDFBSVYUTI-UHFFFAOYSA-N -1 0 389.231 2.936 20 5 GFBDRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000376824683 563455552 /nfs/dbraw/zinc/45/55/52/563455552.db2.gz XUTMRDMZOWGGGP-UHFFFAOYSA-N -1 0 376.375 2.578 20 5 GFBDRM O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000331991707 563570448 /nfs/dbraw/zinc/57/04/48/563570448.db2.gz ZNQSPJWVQFADDQ-NSHDSACASA-N -1 0 396.201 2.548 20 5 GFBDRM CN(c1ccc(Cl)cc1F)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000435481850 563652711 /nfs/dbraw/zinc/65/27/11/563652711.db2.gz FYORUMCOPBUUTJ-UHFFFAOYSA-N -1 0 388.760 2.911 20 5 GFBDRM CCn1cc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c([N+](=O)[O-])n1 ZINC000435720339 563657110 /nfs/dbraw/zinc/65/71/10/563657110.db2.gz WYBMLFMEAJJRIW-UHFFFAOYSA-N -1 0 380.304 2.511 20 5 GFBDRM O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436805239 563680310 /nfs/dbraw/zinc/68/03/10/563680310.db2.gz RFBNEDFMWJRLGA-CYBMUJFWSA-N -1 0 399.172 2.665 20 5 GFBDRM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1I ZINC000436846856 563681875 /nfs/dbraw/zinc/68/18/75/563681875.db2.gz YSVQDFREXAUWSV-UHFFFAOYSA-N -1 0 399.144 2.861 20 5 GFBDRM COCCN=c1[n-]nc(Sc2ccc([N+](=O)[O-])c(OC(F)F)c2)s1 ZINC000538894816 564204468 /nfs/dbraw/zinc/20/44/68/564204468.db2.gz WVSKNJMEKOHOJM-UHFFFAOYSA-N -1 0 378.382 2.679 20 5 GFBDRM CCS[C@@H]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000564917732 564257430 /nfs/dbraw/zinc/25/74/30/564257430.db2.gz BQOCUTBIQOBMFS-CMPLNLGQSA-N -1 0 388.467 2.588 20 5 GFBDRM CC[C@@H](C)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000565033246 564262962 /nfs/dbraw/zinc/26/29/62/564262962.db2.gz YSSPSAHTRQYHRE-NOZJJQNGSA-N -1 0 387.230 2.905 20 5 GFBDRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnn1[C@@H]1CCOC1 ZINC000451100707 564275167 /nfs/dbraw/zinc/27/51/67/564275167.db2.gz WVLJOQSTDZOMGD-LLVKDONJSA-N -1 0 386.817 2.515 20 5 GFBDRM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000451719211 564343327 /nfs/dbraw/zinc/34/33/27/564343327.db2.gz VUCASYNWXPJOMW-VXNVDRBHSA-N -1 0 393.195 2.585 20 5 GFBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000476918993 564359404 /nfs/dbraw/zinc/35/94/04/564359404.db2.gz RMHJJKBZEGKACR-UHFFFAOYSA-N -1 0 376.419 2.644 20 5 GFBDRM C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451961376 564372941 /nfs/dbraw/zinc/37/29/41/564372941.db2.gz GFMAJNNLWYOJEP-QMMMGPOBSA-N -1 0 393.252 2.545 20 5 GFBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCc1ccc(F)c(F)c1F ZINC000544101016 564375568 /nfs/dbraw/zinc/37/55/68/564375568.db2.gz GMDQGAFZRGDJDC-UHFFFAOYSA-N -1 0 378.303 2.672 20 5 GFBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)Cc1ccsc1 ZINC000544929946 564403971 /nfs/dbraw/zinc/40/39/71/564403971.db2.gz SXVFILJFCSVZFL-VIFPVBQESA-N -1 0 384.435 2.572 20 5 GFBDRM C[C@@]1(C(=O)[O-])CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000569541355 564467445 /nfs/dbraw/zinc/46/74/45/564467445.db2.gz HMYNUTAZWJPZAC-ZDUSSCGKSA-N -1 0 397.236 2.920 20 5 GFBDRM CC1(C)CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000569657264 564473561 /nfs/dbraw/zinc/47/35/61/564473561.db2.gz AEBUGQHMJGOZJF-NSHDSACASA-N -1 0 376.818 2.512 20 5 GFBDRM Cc1sc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC000547869329 564514597 /nfs/dbraw/zinc/51/45/97/564514597.db2.gz ILIKRXPETPCLIV-VIFPVBQESA-N -1 0 376.437 2.521 20 5 GFBDRM C[C@@H]1CC[C@](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)(CC(=O)[O-])C1 ZINC000547885218 564516121 /nfs/dbraw/zinc/51/61/21/564516121.db2.gz QUSFVSXSRLHPEL-MEBBXXQBSA-N -1 0 390.845 2.808 20 5 GFBDRM Cc1ccc(CN(C)S(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)s1 ZINC000570925916 564528202 /nfs/dbraw/zinc/52/82/02/564528202.db2.gz OXGZQXRFBRIROK-UHFFFAOYSA-N -1 0 384.435 2.792 20 5 GFBDRM C[C@H]1CC[C@](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])(CC(=O)[O-])C1 ZINC000548222793 564538943 /nfs/dbraw/zinc/53/89/43/564538943.db2.gz HMKBEHDIRKIGMG-ZUZCIYMTSA-N -1 0 390.845 2.808 20 5 GFBDRM C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000548250246 564543628 /nfs/dbraw/zinc/54/36/28/564543628.db2.gz LAGFWZXDZUUEDF-RDDDGLTNSA-N -1 0 397.236 2.775 20 5 GFBDRM CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000548561265 564560152 /nfs/dbraw/zinc/56/01/52/564560152.db2.gz KVAYFYSGIZRRRF-CYBMUJFWSA-N -1 0 378.834 2.676 20 5 GFBDRM C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000549942207 564610925 /nfs/dbraw/zinc/61/09/25/564610925.db2.gz RJSWNCYXBJWLOG-SDBXPKJASA-N -1 0 383.253 2.731 20 5 GFBDRM COC(=O)c1cc([N-]S(=O)(=O)c2cncc(Cl)c2)c(C)c([N+](=O)[O-])c1 ZINC000486010658 564635359 /nfs/dbraw/zinc/63/53/59/564635359.db2.gz WQHUYHFRKJBJMD-UHFFFAOYSA-N -1 0 385.785 2.539 20 5 GFBDRM O=C(c1cccc(Br)c1[O-])N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000526062661 564717823 /nfs/dbraw/zinc/71/78/23/564717823.db2.gz PPDVKIZYTKHDNR-UHFFFAOYSA-N -1 0 393.193 2.966 20 5 GFBDRM O=C([O-])[C@@H](CC1CCCCC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000554680046 564769907 /nfs/dbraw/zinc/76/99/07/564769907.db2.gz LCBXUNGOLZMECK-GFCCVEGCSA-N -1 0 390.845 2.950 20 5 GFBDRM CC1(C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000580811719 564774454 /nfs/dbraw/zinc/77/44/54/564774454.db2.gz QEPDMBGDXKWEKW-LLVKDONJSA-N -1 0 376.818 2.512 20 5 GFBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000494319173 564824270 /nfs/dbraw/zinc/82/42/70/564824270.db2.gz PJUFWIJNFLOMRJ-UHFFFAOYSA-N -1 0 393.244 2.603 20 5 GFBDRM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462423270 564838551 /nfs/dbraw/zinc/83/85/51/564838551.db2.gz UCGUQVAOHANUPT-JTQLQIEISA-N -1 0 396.296 2.912 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cn(C)nc2C(F)(F)F)cc1C ZINC000463432477 564881146 /nfs/dbraw/zinc/88/11/46/564881146.db2.gz XMIFEQWMVZZECY-UHFFFAOYSA-N -1 0 378.332 2.765 20 5 GFBDRM Cn1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000463441720 564881881 /nfs/dbraw/zinc/88/18/81/564881881.db2.gz RSJNYXFSGTVRKJ-UHFFFAOYSA-N -1 0 384.723 2.801 20 5 GFBDRM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000558350475 564899119 /nfs/dbraw/zinc/89/91/19/564899119.db2.gz MGMNEHYAIZECSC-PELKAZGASA-N -1 0 387.845 2.840 20 5 GFBDRM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000466964226 564951833 /nfs/dbraw/zinc/95/18/33/564951833.db2.gz JERHHSPUMMYTEQ-UHFFFAOYSA-N -1 0 384.435 2.871 20 5 GFBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000560488835 564965808 /nfs/dbraw/zinc/96/58/08/564965808.db2.gz IKUQCUSIPQIMIJ-UHFFFAOYSA-N -1 0 384.435 2.954 20 5 GFBDRM O=C(Nc1cnc2c(Br)cccn12)c1cc([O-])ccc1[N+](=O)[O-] ZINC000560558105 564967626 /nfs/dbraw/zinc/96/76/26/564967626.db2.gz NCVJHQWZDAUZGE-UHFFFAOYSA-N -1 0 377.154 2.963 20 5 GFBDRM COC(=O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000469025476 565003333 /nfs/dbraw/zinc/00/33/33/565003333.db2.gz SPGPAGMMYJIWKM-LLVKDONJSA-N -1 0 390.826 2.502 20 5 GFBDRM O=C(N[C@H](CO)c1ccc(Br)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000590416099 565188087 /nfs/dbraw/zinc/18/80/87/565188087.db2.gz WCXSCILIQNZGNM-GFCCVEGCSA-N -1 0 381.182 2.526 20 5 GFBDRM O=C([O-])C[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000617742723 565257032 /nfs/dbraw/zinc/25/70/32/565257032.db2.gz VNDXQGKETBZOHA-LLVKDONJSA-N -1 0 385.214 2.756 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](C)[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000594671906 565405055 /nfs/dbraw/zinc/40/50/55/565405055.db2.gz FEZUXOIIGGNCPK-GXSJLCMTSA-N -1 0 390.845 2.678 20 5 GFBDRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000595250290 565457788 /nfs/dbraw/zinc/45/77/88/565457788.db2.gz KMNYCLBTUZRNOT-IUODEOHRSA-N -1 0 385.214 2.659 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CO[C@H](C2CC2)C1 ZINC000599481478 565683163 /nfs/dbraw/zinc/68/31/63/565683163.db2.gz FBRSNWWPKMLNQK-CABZTGNLSA-N -1 0 381.237 2.747 20 5 GFBDRM CC1(c2nc(=NC(=O)c3c(Br)cccc3[N+](=O)[O-])s[n-]2)CC1 ZINC000600228381 565718337 /nfs/dbraw/zinc/71/83/37/565718337.db2.gz WGMTVNTYZSKSDG-UHFFFAOYSA-N -1 0 383.227 2.935 20 5 GFBDRM CC1(c2nc(=NC(=O)c3ccc(Br)cc3[N+](=O)[O-])s[n-]2)CC1 ZINC000600227919 565718356 /nfs/dbraw/zinc/71/83/56/565718356.db2.gz QYHRTKZESMFVGR-UHFFFAOYSA-N -1 0 383.227 2.935 20 5 GFBDRM Cc1cc(C)c(S(=O)(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)s1 ZINC000600666453 565743271 /nfs/dbraw/zinc/74/32/71/565743271.db2.gz TVSZWZIABOTKJA-HNNXBMFYSA-N -1 0 384.435 2.551 20 5 GFBDRM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736495938 599039501 /nfs/dbraw/zinc/03/95/01/599039501.db2.gz WLBBJKVIQDKHBM-UHFFFAOYSA-N -1 0 388.409 2.528 20 5 GFBDRM C[C@@H](Nc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-])c1ccccn1 ZINC000262081347 597494510 /nfs/dbraw/zinc/49/45/10/597494510.db2.gz FFOCJJRTOLHLAX-WBMJQRKESA-N -1 0 384.392 2.852 20 5 GFBDRM O=C([O-])c1ccc(C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000821544844 598160348 /nfs/dbraw/zinc/16/03/48/598160348.db2.gz PAAPFBVSSQDQAB-UHFFFAOYSA-N -1 0 392.751 2.533 20 5 GFBDRM CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237246160 599734060 /nfs/dbraw/zinc/73/40/60/599734060.db2.gz KPLFGESOUXZVHQ-UHFFFAOYSA-N -1 0 380.360 2.751 20 5 GFBDRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000739336816 599759277 /nfs/dbraw/zinc/75/92/77/599759277.db2.gz FPKIYBWHQWBVIN-OAHLLOKOSA-N -1 0 399.428 2.980 20 5 GFBDRM Cc1csc([C@@H](C)Nc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000738817202 599768378 /nfs/dbraw/zinc/76/83/78/599768378.db2.gz WFNVNGKGXYKAOF-NXEZZACHSA-N -1 0 378.410 2.736 20 5 GFBDRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])c(F)c2)c(C)c1C(=O)[O-] ZINC000738237503 599829600 /nfs/dbraw/zinc/82/96/00/599829600.db2.gz VBTDBFMHKZSBCB-VIFPVBQESA-N -1 0 378.312 2.805 20 5 GFBDRM O=C([O-])[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)Cc1cccc(F)c1 ZINC000485805119 599943009 /nfs/dbraw/zinc/94/30/09/599943009.db2.gz SPOPWYVXLSNFGL-OAHLLOKOSA-N -1 0 399.378 2.748 20 5 GFBDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000737171628 600084472 /nfs/dbraw/zinc/08/44/72/600084472.db2.gz YXEVCPVZUTYQQH-UHFFFAOYSA-N -1 0 380.328 2.704 20 5 GFBDRM CCc1ccc2c(c1)[C@@H](CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(=O)N2 ZINC000262347661 600165510 /nfs/dbraw/zinc/16/55/10/600165510.db2.gz ASDMZIFRHSJWTI-OAHLLOKOSA-N -1 0 397.387 2.711 20 5 GFBDRM O=C([O-])C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000610841154 600167539 /nfs/dbraw/zinc/16/75/39/600167539.db2.gz FAILFOYZHYBHCE-ZDUSSCGKSA-N -1 0 387.373 2.856 20 5 GFBDRM C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736657153 600188871 /nfs/dbraw/zinc/18/88/71/600188871.db2.gz PUTIYFALUVQPNM-SECBINFHSA-N -1 0 391.767 2.703 20 5 GFBDRM O=C([O-])c1cccc(OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000738694336 600190305 /nfs/dbraw/zinc/19/03/05/600190305.db2.gz VBQXBUDRESEZBN-GFCCVEGCSA-N -1 0 390.373 2.565 20 5 GFBDRM CC(=O)N[C@H](CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000736147368 600191693 /nfs/dbraw/zinc/19/16/93/600191693.db2.gz VGTIVDDSATTYJZ-QGZVFWFLSA-N -1 0 385.376 2.807 20 5 GFBDRM O=C([O-])c1cc(NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)cc([N+](=O)[O-])c1 ZINC000740090865 600191795 /nfs/dbraw/zinc/19/17/95/600191795.db2.gz WWJPCPLLHGKCCP-UHFFFAOYSA-N -1 0 376.325 2.849 20 5 GFBDRM CCc1nccn1[C@H]1CCCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737285443 600206053 /nfs/dbraw/zinc/20/60/53/600206053.db2.gz SQOQJTGRTDXNLR-NSHDSACASA-N -1 0 389.368 2.802 20 5 GFBDRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000428068731 600250294 /nfs/dbraw/zinc/25/02/94/600250294.db2.gz ZMLJAVWNFPSBGW-CQSZACIVSA-N -1 0 392.795 2.829 20 5 GFBDRM CC(C)Oc1cccc([C@H](O)CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000736494977 600266352 /nfs/dbraw/zinc/26/63/52/600266352.db2.gz TXHRLFNPOWDBCL-QGZVFWFLSA-N -1 0 388.376 2.544 20 5 GFBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738478807 600301162 /nfs/dbraw/zinc/30/11/62/600301162.db2.gz NENNMJYKQQVKMS-UHFFFAOYSA-N -1 0 379.394 2.814 20 5 GFBDRM COc1ccc(S(=O)(=O)Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(C)c1C ZINC000738069531 600322204 /nfs/dbraw/zinc/32/22/04/600322204.db2.gz IFBJQUSSNADYFL-UHFFFAOYSA-N -1 0 381.362 2.686 20 5 GFBDRM O=Cc1ccc(OCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000740319071 600330362 /nfs/dbraw/zinc/33/03/62/600330362.db2.gz QTWIJQYWCALTPO-INIZCTEOSA-N -1 0 393.735 2.809 20 5 GFBDRM CS(=O)(=O)c1ccc(OCCCOc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000738178070 600362099 /nfs/dbraw/zinc/36/20/99/600362099.db2.gz ZQOYDEQZYUNHHX-UHFFFAOYSA-N -1 0 395.389 2.544 20 5 GFBDRM CC[C@H](C(=O)[O-])N(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccccc1 ZINC000736851596 600385618 /nfs/dbraw/zinc/38/56/18/600385618.db2.gz QZVPVWBTVPXHJZ-QGZVFWFLSA-N -1 0 395.375 2.686 20 5 GFBDRM C[C@@H](Cc1c(F)cccc1F)NC(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736619297 600443455 /nfs/dbraw/zinc/44/34/55/600443455.db2.gz YFNOCNIOUMLROX-JTQLQIEISA-N -1 0 394.330 2.697 20 5 GFBDRM Cc1c([N+](=O)[O-])cc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000738305978 600451197 /nfs/dbraw/zinc/45/11/97/600451197.db2.gz USVBCYAQKYJJPB-AWEZNQCLSA-N -1 0 378.268 2.933 20 5 GFBDRM O=C([O-])c1cc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000739327954 600462824 /nfs/dbraw/zinc/46/28/24/600462824.db2.gz FRUABDLQQOHXBP-UHFFFAOYSA-N -1 0 395.711 2.872 20 5 GFBDRM O=C([O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1Cl ZINC000540673090 600478793 /nfs/dbraw/zinc/47/87/93/600478793.db2.gz HBZLBGOHIUEVEJ-UHFFFAOYSA-N -1 0 378.724 2.970 20 5 GFBDRM COC(=O)c1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000737692976 600479717 /nfs/dbraw/zinc/47/97/17/600479717.db2.gz HQFTWNMTUXRUCG-UHFFFAOYSA-N -1 0 378.724 2.985 20 5 GFBDRM O=C([O-])c1cc(NC(=O)C2CCN(CC(F)(F)F)CC2)cc([N+](=O)[O-])c1 ZINC000740080165 600542582 /nfs/dbraw/zinc/54/25/82/600542582.db2.gz DPNJJFOAZYSNBF-UHFFFAOYSA-N -1 0 375.303 2.506 20 5 GFBDRM Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000539571262 600602000 /nfs/dbraw/zinc/60/20/00/600602000.db2.gz AWGFMQUOTYKAKY-HNNXBMFYSA-N -1 0 381.388 2.760 20 5 GFBDRM C[C@@H]1CCCN(c2ccc(C(=O)N[C@@](C)(C(=O)[O-])C3CC3)cc2[N+](=O)[O-])C1 ZINC000539603253 600617430 /nfs/dbraw/zinc/61/74/30/600617430.db2.gz FFCBQBKUCMSODC-CWTRNNRKSA-N -1 0 375.425 2.814 20 5 GFBDRM Cc1ccnc(N2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000738792462 600623658 /nfs/dbraw/zinc/62/36/58/600623658.db2.gz JBLVKLPKPJUPQH-MRXNPFEDSA-N -1 0 390.827 2.900 20 5 GFBDRM O=C([O-])CNC(=O)c1ccc(NCCc2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000739811592 600638163 /nfs/dbraw/zinc/63/81/63/600638163.db2.gz CQLVAJZJPOXRDJ-UHFFFAOYSA-N -1 0 395.774 2.856 20 5 GFBDRM Cc1ccc(NCCCNC(=O)NC2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000263174358 600653277 /nfs/dbraw/zinc/65/32/77/600653277.db2.gz DLRHTUOOSVSBQY-UHFFFAOYSA-N -1 0 378.429 2.648 20 5 GFBDRM COC(=O)c1cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000831289738 600660587 /nfs/dbraw/zinc/66/05/87/600660587.db2.gz NZVHDSVBYXFVER-JTQLQIEISA-N -1 0 387.348 2.962 20 5 GFBDRM Cc1c(-c2nc(-c3cccc(C(=O)[O-])c3)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000832848503 600696711 /nfs/dbraw/zinc/69/67/11/600696711.db2.gz GHCXGZIZYNSLCK-UHFFFAOYSA-N -1 0 392.331 2.899 20 5 GFBDRM C[C@H](OC(=O)c1ccc(NC(=O)[O-])c(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000827862143 600727650 /nfs/dbraw/zinc/72/76/50/600727650.db2.gz VYKSQLVQMHOHNH-VIFPVBQESA-N -1 0 389.320 2.574 20 5 GFBDRM O=C([O-])C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc21 ZINC000739645304 600855789 /nfs/dbraw/zinc/85/57/89/600855789.db2.gz BWQJQNPLAYWWMA-ZDUSSCGKSA-N -1 0 392.371 2.999 20 5 GFBDRM CCOC(=O)c1cc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc([N+](=O)[O-])c1 ZINC000737149614 600856669 /nfs/dbraw/zinc/85/66/69/600856669.db2.gz XGDFASKGXVUDFS-CQSZACIVSA-N -1 0 398.371 2.990 20 5 GFBDRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2N(C)C1=O ZINC000736815299 600884649 /nfs/dbraw/zinc/88/46/49/600884649.db2.gz YWIRBBMPMMKQQE-NSHDSACASA-N -1 0 383.360 2.552 20 5 GFBDRM 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/nfs/dbraw/zinc/04/51/97/662045197.db2.gz WYMVCZLCCGOUHR-UHFFFAOYSA-N -1 0 379.210 2.766 20 5 GFBDRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000856959868 662055158 /nfs/dbraw/zinc/05/51/58/662055158.db2.gz YWVSQWHMWYFMTR-JTQLQIEISA-N -1 0 389.177 2.966 20 5 GFBDRM CCn1nc(C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000863451324 662333663 /nfs/dbraw/zinc/33/36/63/662333663.db2.gz YGSHCOQSVATWMI-UHFFFAOYSA-N -1 0 389.231 2.683 20 5 GFBDRM C[C@@H]1CC2(CC([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C2)CO1 ZINC000907730396 664056359 /nfs/dbraw/zinc/05/63/59/664056359.db2.gz CMTHTUGVKJNXQU-NQTXRORDSA-N -1 0 378.809 2.623 20 5 GFBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1csc2c1CCCC2 ZINC000917444239 664483553 /nfs/dbraw/zinc/48/35/53/664483553.db2.gz RINMSGKCDVFDCN-UHFFFAOYSA-N -1 0 380.447 2.962 20 5 GFBDRM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120192530 677396025 /nfs/dbraw/zinc/39/60/25/677396025.db2.gz YZWPNIFRKIMTIF-UHFFFAOYSA-N -1 0 383.451 2.985 20 5 GFBDRM CCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055633724 551174026 /nfs/dbraw/zinc/17/40/26/551174026.db2.gz HVYCGWVLCXGYIK-UHFFFAOYSA-N -1 0 383.813 2.799 20 5 GFBDRM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000128722554 551351503 /nfs/dbraw/zinc/35/15/03/551351503.db2.gz MQQIUHFLOXDPQW-VIFPVBQESA-N -1 0 385.269 2.977 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)[nH]n2)c(Cl)c1 ZINC000151594634 551417118 /nfs/dbraw/zinc/41/71/18/551417118.db2.gz DFHWOUFHURKDQO-UHFFFAOYSA-N -1 0 379.785 2.834 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncn(-c3ccccc3)n2)c(Cl)c1 ZINC000181362677 552254456 /nfs/dbraw/zinc/25/44/56/552254456.db2.gz WHXPMJJNVBIOQI-UHFFFAOYSA-N -1 0 379.785 2.630 20 5 GFBDRM Cc1nc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1I ZINC000192687984 552971835 /nfs/dbraw/zinc/97/18/35/552971835.db2.gz JPLWIGMDXRIFRH-UHFFFAOYSA-N -1 0 399.144 2.861 20 5 GFBDRM O=C([O-])c1cc(C(=O)NCc2cccc(Br)c2)cc([N+](=O)[O-])c1 ZINC000237982945 553084475 /nfs/dbraw/zinc/08/44/75/553084475.db2.gz WQWDBKBIJURMBD-UHFFFAOYSA-N -1 0 379.166 2.986 20 5 GFBDRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261639922 553155275 /nfs/dbraw/zinc/15/52/75/553155275.db2.gz IEGVZCPRSVVHNC-CDMKHQONSA-N -1 0 388.829 2.655 20 5 GFBDRM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n[nH]1 ZINC000295190814 563233773 /nfs/dbraw/zinc/23/37/73/563233773.db2.gz RBSBULLZDNXRHN-ZCFIWIBFSA-N -1 0 394.240 2.622 20 5 GFBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(Br)cc1 ZINC000319470208 563445316 /nfs/dbraw/zinc/44/53/16/563445316.db2.gz NBJHDCICKSAGJS-UHFFFAOYSA-N -1 0 389.202 2.975 20 5 GFBDRM CC(C)(CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCC(=O)[O-] ZINC000325616396 563453784 /nfs/dbraw/zinc/45/37/84/563453784.db2.gz JSIKGDWURLGFHJ-UHFFFAOYSA-N -1 0 378.834 2.808 20 5 GFBDRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000327203589 563457411 /nfs/dbraw/zinc/45/74/11/563457411.db2.gz PGSQNPWUCMTJMC-NSHDSACASA-N -1 0 382.781 2.625 20 5 GFBDRM O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436805242 563680237 /nfs/dbraw/zinc/68/02/37/563680237.db2.gz RFBNEDFMWJRLGA-ZDUSSCGKSA-N -1 0 399.172 2.665 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c(C)cc1[N+](=O)[O-] ZINC000414368009 563730166 /nfs/dbraw/zinc/73/01/66/563730166.db2.gz BHKYIJQQBHRUFW-UHFFFAOYSA-N -1 0 378.332 2.771 20 5 GFBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2O)c1 ZINC000442222376 563769177 /nfs/dbraw/zinc/76/91/77/563769177.db2.gz MYXDLXHFXGZBRS-UHFFFAOYSA-N -1 0 378.284 3.000 20 5 GFBDRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cn(CC)nc3[N+](=O)[O-])sc2C1 ZINC000443414939 563804829 /nfs/dbraw/zinc/80/48/29/563804829.db2.gz DISFGIZFGQWWAR-SECBINFHSA-N -1 0 385.471 2.583 20 5 GFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(n2cc(Br)cn2)CC1 ZINC000366418838 563807719 /nfs/dbraw/zinc/80/77/19/563807719.db2.gz XIXVBRJRMBWAFN-UHFFFAOYSA-N -1 0 395.213 2.737 20 5 GFBDRM CCn1nc(C)c(S(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)c1C ZINC000416423215 563827371 /nfs/dbraw/zinc/82/73/71/563827371.db2.gz STDJSTMEJVBAHD-UHFFFAOYSA-N -1 0 381.439 2.839 20 5 GFBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(OCCCO)cc1 ZINC000507633919 564236082 /nfs/dbraw/zinc/23/60/82/564236082.db2.gz GVRVEXZFRXROEX-UHFFFAOYSA-N -1 0 386.813 2.810 20 5 GFBDRM O=C(N[C@H](CCO)c1ccccc1Br)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000541051461 564264134 /nfs/dbraw/zinc/26/41/34/564264134.db2.gz NZPKCKMBMNYNBU-CYBMUJFWSA-N -1 0 395.209 2.916 20 5 GFBDRM COc1cc(S(=O)(=O)[N-]c2nc(CC(F)(F)F)cs2)ccc1[N+](=O)[O-] ZINC000451057410 564269145 /nfs/dbraw/zinc/26/91/45/564269145.db2.gz QQLBOWAVQXFZPJ-UHFFFAOYSA-N -1 0 397.356 2.966 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nnc(C(F)(F)F)s2)c1 ZINC000544622366 564390391 /nfs/dbraw/zinc/39/03/91/564390391.db2.gz XTUCELVHHXZRJX-UHFFFAOYSA-N -1 0 382.345 2.883 20 5 GFBDRM CCCc1nc(=NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)s[n-]1 ZINC000545259576 564415092 /nfs/dbraw/zinc/41/50/92/564415092.db2.gz OSQDNGXKJYEPCQ-UHFFFAOYSA-N -1 0 382.467 2.701 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)cc1C ZINC000545467073 564424590 /nfs/dbraw/zinc/42/45/90/564424590.db2.gz JCNKFPMSOLQEOC-UHFFFAOYSA-N -1 0 382.360 2.601 20 5 GFBDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(CC(F)(F)F)s2)c([N+](=O)[O-])c1 ZINC000479990905 564456793 /nfs/dbraw/zinc/45/67/93/564456793.db2.gz OFKUSFVOHMFOLA-UHFFFAOYSA-N -1 0 382.345 2.660 20 5 GFBDRM Cc1nc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])oc1C ZINC000481986188 564530868 /nfs/dbraw/zinc/53/08/68/564530868.db2.gz SIPACJGDVGRYAP-UHFFFAOYSA-N -1 0 376.188 2.763 20 5 GFBDRM CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000482134047 564535120 /nfs/dbraw/zinc/53/51/20/564535120.db2.gz VYYULXHVKCGCDE-UHFFFAOYSA-N -1 0 383.813 2.751 20 5 GFBDRM O=C([O-])CN(C1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000548560611 564560294 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O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c1 ZINC000584304410 564929374 /nfs/dbraw/zinc/92/93/74/564929374.db2.gz SKAJOVAQYYLONS-JTQLQIEISA-N -1 0 381.357 2.774 20 5 GFBDRM COCC1(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000499643338 564932940 /nfs/dbraw/zinc/93/29/40/564932940.db2.gz AZLMLNPEUHYFPU-UHFFFAOYSA-N -1 0 383.253 2.997 20 5 GFBDRM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000466958882 564951174 /nfs/dbraw/zinc/95/11/74/564951174.db2.gz YZSUQTSJCIXBNZ-UHFFFAOYSA-N -1 0 390.464 2.559 20 5 GFBDRM CCn1cc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)c([N+](=O)[O-])n1 ZINC000534498352 564989725 /nfs/dbraw/zinc/98/97/25/564989725.db2.gz MNSPASQWBYCTCV-UHFFFAOYSA-N -1 0 376.341 2.522 20 5 GFBDRM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000469073906 565004759 /nfs/dbraw/zinc/00/47/59/565004759.db2.gz XQRRFLWMDWCHRF-VIFPVBQESA-N -1 0 391.165 2.977 20 5 GFBDRM CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 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396.302 2.590 20 5 GFBDRM O=C([O-])c1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1[N+](=O)[O-] ZINC000739327926 600445457 /nfs/dbraw/zinc/44/54/57/600445457.db2.gz DBNWJWNEYLZTTP-UHFFFAOYSA-N -1 0 395.711 2.872 20 5 GFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738306238 600446972 /nfs/dbraw/zinc/44/69/72/600446972.db2.gz ZUYVPIPCJOSNSM-UHFFFAOYSA-N -1 0 379.394 2.514 20 5 GFBDRM O=C([O-])CCCOc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000540666409 600483419 /nfs/dbraw/zinc/48/34/19/600483419.db2.gz CSIWFTZXXSTEQC-UHFFFAOYSA-N -1 0 388.332 2.819 20 5 GFBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(CCCC(=O)[O-])s2)c1 ZINC000738213392 600539401 /nfs/dbraw/zinc/53/94/01/600539401.db2.gz DRODHXLDTSSIAX-UHFFFAOYSA-N -1 0 382.423 2.828 20 5 GFBDRM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736389981 600540537 /nfs/dbraw/zinc/54/05/37/600540537.db2.gz LSHHMOQAZUAVTK-CQSZACIVSA-N -1 0 391.405 2.748 20 5 GFBDRM CC(C)n1cc([C@@H](C)Nc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000736657840 600610798 /nfs/dbraw/zinc/61/07/98/600610798.db2.gz UDSPAJYQQUTDQQ-NEPJUHHUSA-N -1 0 389.412 2.748 20 5 GFBDRM CCCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000484534596 600689959 /nfs/dbraw/zinc/68/99/59/600689959.db2.gz CIAYXQLNNSHPLR-UHFFFAOYSA-N -1 0 380.378 2.883 20 5 GFBDRM O=C([O-])c1coc(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000833339714 600721139 /nfs/dbraw/zinc/72/11/39/600721139.db2.gz MPNNKMQZUUUQGN-UHFFFAOYSA-N -1 0 387.222 2.945 20 5 GFBDRM COc1cc(C(=O)[O-])cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1OC ZINC000737852926 600874035 /nfs/dbraw/zinc/87/40/35/600874035.db2.gz ZIESKMUJDYKFJF-UHFFFAOYSA-N -1 0 390.348 2.718 20 5 GFBDRM Cc1cc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)ccc1[N+](=O)[O-] ZINC000365393334 600895243 /nfs/dbraw/zinc/89/52/43/600895243.db2.gz UVVXTGXEFZCXLT-GFCCVEGCSA-N -1 0 376.390 2.670 20 5 GFBDRM Cc1ccc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000360131147 600895418 /nfs/dbraw/zinc/89/54/18/600895418.db2.gz QYJNZIXDNJREJJ-GFCCVEGCSA-N -1 0 376.390 2.670 20 5 GFBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000363647546 600895529 /nfs/dbraw/zinc/89/55/29/600895529.db2.gz XSGZQRMDIHZDFE-GFCCVEGCSA-N -1 0 376.390 2.670 20 5 GFBDRM COC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1C(=O)[O-] ZINC000831399184 600949913 /nfs/dbraw/zinc/94/99/13/600949913.db2.gz NPWUZLPOOBCAHC-UHFFFAOYSA-N -1 0 392.751 2.914 20 5 GFBDRM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000485473719 600959324 /nfs/dbraw/zinc/95/93/24/600959324.db2.gz HKNNDFATKMHQGC-GFCCVEGCSA-N -1 0 395.803 2.818 20 5 GFBDRM COC(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000831427608 600977737 /nfs/dbraw/zinc/97/77/37/600977737.db2.gz GPTGHNWBGZWZPD-UHFFFAOYSA-N -1 0 378.724 2.985 20 5 GFBDRM O=C([O-])c1cc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000262410152 601044340 /nfs/dbraw/zinc/04/43/40/601044340.db2.gz NYSOMQXXOOGARL-OAHLLOKOSA-N -1 0 384.388 2.972 20 5 GFBDRM Cc1cc(F)c(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000363260426 601048891 /nfs/dbraw/zinc/04/88/91/601048891.db2.gz WDQVCPCOOOJZBC-LLVKDONJSA-N -1 0 394.380 2.810 20 5 GFBDRM O=C([O-])[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000738479150 601068681 /nfs/dbraw/zinc/06/86/81/601068681.db2.gz HSOMXVSZQBCYEO-CYBMUJFWSA-N -1 0 393.193 2.956 20 5 GFBDRM Cc1nn(CCC(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000598660672 601081761 /nfs/dbraw/zinc/08/17/61/601081761.db2.gz CSEJKCFADOQKDG-HOTGVXAUSA-N -1 0 392.456 2.680 20 5 GFBDRM O=C([O-])[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 ZINC000269023310 601082838 /nfs/dbraw/zinc/08/28/38/601082838.db2.gz JHZQSFVFLNUZMZ-KRWDZBQOSA-N -1 0 383.404 2.793 20 5 GFBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000237682634 601167379 /nfs/dbraw/zinc/16/73/79/601167379.db2.gz JAVYGJXCRJXKGG-FZKQIMNGSA-N -1 0 394.387 2.972 20 5 GFBDRM Cc1c(NC(=O)[C@H](C)OC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000832857073 601179304 /nfs/dbraw/zinc/17/93/04/601179304.db2.gz FPDGUXAFEPXGII-XQQFMLRXSA-N -1 0 378.381 2.664 20 5 GFBDRM CCS[C@H]1CCC[C@@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830158152 601208931 /nfs/dbraw/zinc/20/89/31/601208931.db2.gz RMZFYVJAEHUTIC-OLZOCXBDSA-N -1 0 381.454 2.885 20 5 GFBDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000583514330 601222005 /nfs/dbraw/zinc/22/20/05/601222005.db2.gz SLFRQUCPIDBVTM-LBPRGKRZSA-N -1 0 378.406 2.949 20 5 GFBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)cc([N+](=O)[O-])c1 ZINC000833296291 601248415 /nfs/dbraw/zinc/24/84/15/601248415.db2.gz QHNNNCFWCHNIDU-HNNXBMFYSA-N -1 0 399.407 2.588 20 5 GFBDRM CC[C@@H](NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000828939268 601325656 /nfs/dbraw/zinc/32/56/56/601325656.db2.gz FMCPOOYQTAUAHP-CQSZACIVSA-N -1 0 387.392 2.942 20 5 GFBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000572517124 601386313 /nfs/dbraw/zinc/38/63/13/601386313.db2.gz AKYNNDBXLAWACK-QGZVFWFLSA-N -1 0 390.417 2.530 20 5 GFBDRM Cc1cc(Cl)c(S(=O)(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1[N+](=O)[O-] ZINC000776684872 601513246 /nfs/dbraw/zinc/51/32/46/601513246.db2.gz GOKWPMLKHSHRKM-UHFFFAOYSA-N -1 0 396.808 2.959 20 5 GFBDRM Cc1cc(Cl)c(S(=O)(=O)Oc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000832885804 601517789 /nfs/dbraw/zinc/51/77/89/601517789.db2.gz LXGNDZNJNWAMSM-UHFFFAOYSA-N -1 0 385.781 2.951 20 5 GFBDRM Cc1c(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000832850469 601575222 /nfs/dbraw/zinc/57/52/22/601575222.db2.gz QMVXQPINKFEVSN-QGZVFWFLSA-N -1 0 399.359 2.944 20 5 GFBDRM CC(C)C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000262471955 601631762 /nfs/dbraw/zinc/63/17/62/601631762.db2.gz JOKIYQXQYWSVFD-QMMMGPOBSA-N -1 0 391.193 2.973 20 5 GFBDRM Cc1[nH]c(C(=O)COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c(C)c1C(=O)[O-] ZINC000832844681 601680884 /nfs/dbraw/zinc/68/08/84/601680884.db2.gz ULOJSFNOTLBAJC-UHFFFAOYSA-N -1 0 382.275 2.556 20 5 GFBDRM O=C([O-])[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000833124211 601750191 /nfs/dbraw/zinc/75/01/91/601750191.db2.gz QUWHWKLCKCLQJE-SFHVURJKSA-N -1 0 389.452 2.961 20 5 GFBDRM COc1ccc(CSCC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1[N+](=O)[O-] ZINC000598662964 601750676 /nfs/dbraw/zinc/75/06/76/601750676.db2.gz ZPKWVGXZWXOJKM-KRWDZBQOSA-N -1 0 396.465 2.986 20 5 GFBDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000832919560 601802121 /nfs/dbraw/zinc/80/21/21/601802121.db2.gz NIHWXUQGWZKJNS-UHFFFAOYSA-N -1 0 384.797 2.733 20 5 GFBDRM Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](CN(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000740045442 601851049 /nfs/dbraw/zinc/85/10/49/601851049.db2.gz JYRKCAUEVPYPHE-KBPBESRZSA-N -1 0 378.429 2.552 20 5 GFBDRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000739581216 601901821 /nfs/dbraw/zinc/90/18/21/601901821.db2.gz CYKQNEPVNVPVQK-HNNXBMFYSA-N -1 0 393.443 2.756 20 5 GFBDRM O=C([O-])N1CCC[C@H]1[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000740517176 601929861 /nfs/dbraw/zinc/92/98/61/601929861.db2.gz NSBSQBZYUMSUPE-IRXDYDNUSA-N -1 0 391.424 2.958 20 5 GFBDRM O=C([O-])CSc1ccc(OS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000833264869 601987303 /nfs/dbraw/zinc/98/73/03/601987303.db2.gz LVPHIJQTYXEDCT-UHFFFAOYSA-N -1 0 387.366 2.678 20 5 GFBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1F ZINC000832905730 602112152 /nfs/dbraw/zinc/11/21/52/602112152.db2.gz RLMNAFREDQWPLI-UHFFFAOYSA-N -1 0 390.295 2.820 20 5 GFBDRM O=C([O-])c1ccc(S(=O)(=O)N2CCCc3c(F)ccc(F)c32)c([N+](=O)[O-])c1 ZINC000833324849 602118369 /nfs/dbraw/zinc/11/83/69/602118369.db2.gz NCIYPYFRODOYQJ-UHFFFAOYSA-N -1 0 398.343 2.713 20 5 GFBDRM C[C@H](NC(=O)c1ccc(NCC(C)(C)[C@H]2CCCCO2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703891 602149119 /nfs/dbraw/zinc/14/91/19/602149119.db2.gz SYVXGJUVAHVZAY-BLLLJJGKSA-N -1 0 393.440 2.805 20 5 GFBDRM Cc1cc(F)cc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c1[N+](=O)[O-] ZINC000767162474 602151472 /nfs/dbraw/zinc/15/14/72/602151472.db2.gz VWGVYTMTZJPWRL-LBPRGKRZSA-N -1 0 378.331 2.855 20 5 GFBDRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC000832208708 602171914 /nfs/dbraw/zinc/17/19/14/602171914.db2.gz OMKYVXLTWAQIRX-UHFFFAOYSA-N -1 0 387.753 2.723 20 5 GFBDRM O=C([O-])NCc1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000740680297 602199515 /nfs/dbraw/zinc/19/95/15/602199515.db2.gz LEEXLGVOEGOJAP-UHFFFAOYSA-N -1 0 381.348 2.800 20 5 GFBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCC(C(=O)N3CCCC3)CC2)cc1Cl ZINC000833307793 602250902 /nfs/dbraw/zinc/25/09/02/602250902.db2.gz SQZAIQKVWUPXAT-UHFFFAOYSA-N -1 0 381.816 2.785 20 5 GFBDRM COCCOc1ccc(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000831773664 602251713 /nfs/dbraw/zinc/25/17/13/602251713.db2.gz GWLVZKWOBDXNCP-UHFFFAOYSA-N -1 0 381.772 2.979 20 5 GFBDRM Cc1cc(NCCNC(=O)Cc2cccc(F)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897681 602316478 /nfs/dbraw/zinc/31/64/78/602316478.db2.gz ZQJCFRXKMCBESS-UHFFFAOYSA-N -1 0 375.356 2.511 20 5 GFBDRM Cc1ccc(N2CCC[C@H](N(C)c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)C2)nn1 ZINC000832936719 602317482 /nfs/dbraw/zinc/31/74/82/602317482.db2.gz OUWFCOOMAZFBCD-AWEZNQCLSA-N -1 0 385.424 2.805 20 5 GFBDRM CCOc1cccc(N2CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)n1 ZINC000830104248 602317545 /nfs/dbraw/zinc/31/75/45/602317545.db2.gz CUSNPTOKSRJCEA-UHFFFAOYSA-N -1 0 386.408 2.722 20 5 GFBDRM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738632165 602539263 /nfs/dbraw/zinc/53/92/63/602539263.db2.gz ZTMDAICCLLFPTM-QWRGUYRKSA-N -1 0 384.820 2.507 20 5 GFBDRM O=C([O-])NCc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cs1 ZINC000740682206 602699161 /nfs/dbraw/zinc/69/91/61/602699161.db2.gz FVUCIMVIYKWKTA-UHFFFAOYSA-N -1 0 388.308 2.673 20 5 GFBDRM O=C([O-])NCc1cccc(OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000740677198 602728249 /nfs/dbraw/zinc/72/82/49/602728249.db2.gz UCXZHMZZFSPTQB-UHFFFAOYSA-N -1 0 382.332 2.767 20 5 GFBDRM O=C([O-])N1CCCC[C@@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000740358082 602952286 /nfs/dbraw/zinc/95/22/86/602952286.db2.gz BANUIFYDGHCCLH-GFCCVEGCSA-N -1 0 385.804 2.666 20 5 GFBDRM CCC(CC)(CNC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000739254260 602995922 /nfs/dbraw/zinc/99/59/22/602995922.db2.gz JXSAYBDSZDOYTH-UHFFFAOYSA-N -1 0 388.218 2.914 20 5 GFBDRM Cc1c(C(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000740041211 603020576 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/nfs/dbraw/zinc/94/71/04/603947104.db2.gz MPPGNXWWTSQWAZ-UHFFFAOYSA-N -1 0 390.421 2.933 20 5 GFBDRM CN(c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C1CCC(NC(=O)[O-])CC1 ZINC000828434732 604218971 /nfs/dbraw/zinc/21/89/71/604218971.db2.gz KVNLMEXSJKTXBA-UHFFFAOYSA-N -1 0 376.413 2.502 20 5 GFBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000830531947 604236243 /nfs/dbraw/zinc/23/62/43/604236243.db2.gz KRQOLEVEHFHLOP-UHFFFAOYSA-N -1 0 390.440 2.696 20 5 GFBDRM CCOc1ccc(C(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000827423535 604245451 /nfs/dbraw/zinc/24/54/51/604245451.db2.gz QJKMLAVUDFYAPH-UHFFFAOYSA-N -1 0 391.424 2.988 20 5 GFBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCC[C@@H](c3nnc4n3CCC4)C2)cc1Cl ZINC000833307717 604266764 /nfs/dbraw/zinc/26/67/64/604266764.db2.gz REOLCVQXNWIVCQ-SNVBAGLBSA-N -1 0 391.815 2.868 20 5 GFBDRM CN(C[C@@H](O)COCc1ccccc1)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830706290 604267502 /nfs/dbraw/zinc/26/75/02/604267502.db2.gz 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CCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 ZINC000755979004 655892264 /nfs/dbraw/zinc/89/22/64/655892264.db2.gz RTORXVPWGIOASS-UHFFFAOYSA-N -1 0 380.447 2.998 20 5 GFBDRM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000757556520 655913126 /nfs/dbraw/zinc/91/31/26/655913126.db2.gz MUGYMEYGWDUOFK-UHFFFAOYSA-N -1 0 377.835 2.668 20 5 GFBDRM Cc1cnc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)nc1 ZINC000758426625 655932340 /nfs/dbraw/zinc/93/23/40/655932340.db2.gz VFDVOCLYPOOZLI-UHFFFAOYSA-N -1 0 387.215 2.565 20 5 GFBDRM Cc1nc(C2CC2)oc1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000760200210 655972341 /nfs/dbraw/zinc/97/23/41/655972341.db2.gz FRFGFOKMTRDYJF-UHFFFAOYSA-N -1 0 385.785 2.541 20 5 GFBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000766312375 656168387 /nfs/dbraw/zinc/16/83/87/656168387.db2.gz RXJZMWLNDXHVGH-UHFFFAOYSA-N -1 0 386.769 2.792 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cc(F)cc(Cl)c1 ZINC000770773095 656329926 /nfs/dbraw/zinc/32/99/26/656329926.db2.gz OEUQCNVRSMOZSM-UHFFFAOYSA-N -1 0 376.724 2.645 20 5 GFBDRM O=C(OCCC[N-]C(=O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1Br ZINC000774939728 656573314 /nfs/dbraw/zinc/57/33/14/656573314.db2.gz NIIVCYHKQLCOPF-UHFFFAOYSA-N -1 0 399.119 2.583 20 5 GFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000776551150 656756081 /nfs/dbraw/zinc/75/60/81/656756081.db2.gz IFXGUDUTNBFMSA-JTQLQIEISA-N -1 0 378.834 2.724 20 5 GFBDRM O=C([O-])[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC1CCCC1 ZINC000776554751 656757356 /nfs/dbraw/zinc/75/73/56/656757356.db2.gz JHXPKBFLAAYGPT-LLVKDONJSA-N -1 0 390.845 2.808 20 5 GFBDRM CNc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C)c2Cl)cc1[N+](=O)[O-] ZINC000777351755 656820728 /nfs/dbraw/zinc/82/07/28/656820728.db2.gz WPUCUJFJQRNPRI-UHFFFAOYSA-N -1 0 383.813 2.717 20 5 GFBDRM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)n2)cc1[N+](=O)[O-] ZINC000777687687 656832755 /nfs/dbraw/zinc/83/27/55/656832755.db2.gz QGWBRHCBQYSZPX-UHFFFAOYSA-N -1 0 386.773 2.622 20 5 GFBDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(Cl)c1 ZINC000781838586 657082722 /nfs/dbraw/zinc/08/27/22/657082722.db2.gz OTNPPFNIIROFRH-UHFFFAOYSA-N -1 0 388.760 2.515 20 5 GFBDRM O=C([N-]N1Cc2ccccc2C1=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000782071716 657099726 /nfs/dbraw/zinc/09/97/26/657099726.db2.gz XYJHMERBYWNOBI-UHFFFAOYSA-N -1 0 376.166 2.658 20 5 GFBDRM CC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000783363529 657226468 /nfs/dbraw/zinc/22/64/68/657226468.db2.gz SPZLKCRMEVSRBR-UHFFFAOYSA-N -1 0 382.781 2.570 20 5 GFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1[C@@H](C(=O)[O-])CCC1(C)C ZINC000787513529 657562284 /nfs/dbraw/zinc/56/22/84/657562284.db2.gz KQQHOIVUJUMBJK-SNVBAGLBSA-N -1 0 376.818 2.573 20 5 GFBDRM Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000788130841 657655949 /nfs/dbraw/zinc/65/59/49/657655949.db2.gz JVTFBJHCFMBTRI-UHFFFAOYSA-N -1 0 383.716 2.947 20 5 GFBDRM CCCc1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)ccc1Cl ZINC000788368837 657703193 /nfs/dbraw/zinc/70/31/93/657703193.db2.gz DMYARAZUPBAIAV-UHFFFAOYSA-N -1 0 383.813 2.714 20 5 GFBDRM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1C ZINC000788487946 657728486 /nfs/dbraw/zinc/72/84/86/657728486.db2.gz ATWOJJQYUSQAGE-UHFFFAOYSA-N -1 0 384.439 2.907 20 5 GFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)CSc1ccc(F)cc1 ZINC000789474727 657855280 /nfs/dbraw/zinc/85/52/80/657855280.db2.gz GMCRAHLKVHYKMT-UHFFFAOYSA-N -1 0 384.410 2.640 20 5 GFBDRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000789488960 657856645 /nfs/dbraw/zinc/85/66/45/657856645.db2.gz LDLWQELHOGFLOI-NEPJUHHUSA-N -1 0 380.447 2.882 20 5 GFBDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000789980888 657905243 /nfs/dbraw/zinc/90/52/43/657905243.db2.gz UVFAYCMWHKEQQF-NSHDSACASA-N -1 0 381.738 2.568 20 5 GFBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c(O)c1 ZINC000795350926 658809932 /nfs/dbraw/zinc/80/99/32/658809932.db2.gz PXANNYBKFYWVTM-UHFFFAOYSA-N -1 0 376.749 2.902 20 5 GFBDRM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CCOCC1 ZINC000795869983 658864537 /nfs/dbraw/zinc/86/45/37/658864537.db2.gz YRGQIHNTUHCCOL-GFCCVEGCSA-N -1 0 380.825 2.871 20 5 GFBDRM O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000797236461 659001333 /nfs/dbraw/zinc/00/13/33/659001333.db2.gz VRPSUWFNPJJGGS-HTQZYQBOSA-N -1 0 384.307 2.517 20 5 GFBDRM O=C(NC[C@@H](O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000802318338 659477822 /nfs/dbraw/zinc/47/78/22/659477822.db2.gz GUHDZLDVTPZAHG-CQSZACIVSA-N -1 0 381.182 2.526 20 5 GFBDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000802866665 659519734 /nfs/dbraw/zinc/51/97/34/659519734.db2.gz HZRIHSYRKVAEHP-JTQLQIEISA-N -1 0 386.476 2.950 20 5 GFBDRM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000808319532 659888085 /nfs/dbraw/zinc/88/80/85/659888085.db2.gz ZBDYTJOGXSJTMQ-SCSAIBSYSA-N -1 0 395.128 2.726 20 5 GFBDRM CCc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)s1 ZINC000809820880 659943091 /nfs/dbraw/zinc/94/30/91/659943091.db2.gz IZWQSLDPVMHILX-UHFFFAOYSA-N -1 0 379.822 2.885 20 5 GFBDRM O=C([O-])[C@@H]1CC[C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000811674629 660014100 /nfs/dbraw/zinc/01/41/00/660014100.db2.gz HHRCLKCOILXLBU-OPQQBVKSSA-N -1 0 388.829 2.512 20 5 GFBDRM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815022633 660102950 /nfs/dbraw/zinc/10/29/50/660102950.db2.gz UVSLDSVDHXVPGM-CYBMUJFWSA-N -1 0 388.804 2.708 20 5 GFBDRM CO[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000815896959 660134715 /nfs/dbraw/zinc/13/47/15/660134715.db2.gz BBEAGZVHEOHKTK-WDEREUQCSA-N -1 0 390.845 2.567 20 5 GFBDRM CO[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000815896958 660134769 /nfs/dbraw/zinc/13/47/69/660134769.db2.gz BBEAGZVHEOHKTK-QWRGUYRKSA-N -1 0 390.845 2.567 20 5 GFBDRM O=C(Cc1c[nH]c2cccc(Cl)c12)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000815946117 660137165 /nfs/dbraw/zinc/13/71/65/660137165.db2.gz FOPRFILZXZONGQ-UHFFFAOYSA-N -1 0 399.837 2.839 20 5 GFBDRM CSCCCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842451019 661340090 /nfs/dbraw/zinc/34/00/90/661340090.db2.gz GIOJWUDDVFNXPZ-UHFFFAOYSA-N -1 0 386.373 2.562 20 5 GFBDRM CCc1ccc(S(=O)(=O)[N-]c2c(C)onc2OC(F)F)cc1[N+](=O)[O-] ZINC000842590545 661344731 /nfs/dbraw/zinc/34/47/31/661344731.db2.gz ZZJQCVIJYZOTLP-UHFFFAOYSA-N -1 0 377.325 2.856 20 5 GFBDRM C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@H]1C(=O)[O-] ZINC000843304462 661377367 /nfs/dbraw/zinc/37/73/67/661377367.db2.gz ILQVMMHMQRFJAY-HTQZYQBOSA-N -1 0 397.236 2.633 20 5 GFBDRM C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H]1C(=O)[O-] ZINC000843333952 661378143 /nfs/dbraw/zinc/37/81/43/661378143.db2.gz CCTVQQLZOMFECT-OIBJUYFYSA-N -1 0 389.177 2.679 20 5 GFBDRM Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]2CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000848680880 661672641 /nfs/dbraw/zinc/67/26/41/661672641.db2.gz UKXOJDYDYMYNCF-SNVBAGLBSA-N -1 0 376.818 2.575 20 5 GFBDRM Cc1cc(Cl)c(S(=O)(=O)N2CC3(CCCC3)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000849221990 661698184 /nfs/dbraw/zinc/69/81/84/661698184.db2.gz ZAUFXMRRFAGSQU-ZDUSSCGKSA-N -1 0 388.829 2.575 20 5 GFBDRM CC1=CC[C@](C)(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)CC1 ZINC000850859523 661793616 /nfs/dbraw/zinc/79/36/16/661793616.db2.gz QBWHUMGFYRCMBR-HNNXBMFYSA-N -1 0 387.845 2.772 20 5 GFBDRM CSCCCCCCC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000860484687 662202455 /nfs/dbraw/zinc/20/24/55/662202455.db2.gz RJTIBUKLXVXINE-UHFFFAOYSA-N -1 0 378.447 2.852 20 5 GFBDRM CCc1ccc(C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F)cc1[N+](=O)[O-] ZINC000864221447 662363150 /nfs/dbraw/zinc/36/31/50/662363150.db2.gz LLKLGDCRLSTUMK-LLVKDONJSA-N -1 0 380.344 2.636 20 5 GFBDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000881447164 662994443 /nfs/dbraw/zinc/99/44/43/662994443.db2.gz VALYJYNJYYXLQS-CYBMUJFWSA-N -1 0 379.722 2.531 20 5 GFBDRM O=C([O-])[C@H]1CSCCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901888137 663749449 /nfs/dbraw/zinc/74/94/49/663749449.db2.gz RLFWRVMREJVSIJ-SSDOTTSWSA-N -1 0 381.273 2.668 20 5 GFBDRM O=C(/C=C/Sc1ccccc1)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000916184285 664454011 /nfs/dbraw/zinc/45/40/11/664454011.db2.gz YVTLQMUONSIPPC-ZHACJKMWSA-N -1 0 378.431 2.847 20 5 GFBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1Cc2ccccc2S1 ZINC000920331785 664525066 /nfs/dbraw/zinc/52/50/66/664525066.db2.gz QHSPAOAZHABCOJ-CYBMUJFWSA-N -1 0 398.849 2.770 20 5 GFBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cc2c(s1)CCC2 ZINC000920333490 664525337 /nfs/dbraw/zinc/52/53/37/664525337.db2.gz FBTLENYTKVAKFD-UHFFFAOYSA-N -1 0 386.838 2.917 20 5 GFBDRM CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000121352894 677399039 /nfs/dbraw/zinc/39/90/39/677399039.db2.gz YXWNJBVNLKPWDT-UHFFFAOYSA-N -1 0 387.776 2.548 20 5 GFBDRM CSCc1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)ccc1F ZINC000747118795 677674506 /nfs/dbraw/zinc/67/45/06/677674506.db2.gz PWDDRNQASPXHGK-UHFFFAOYSA-N -1 0 390.439 2.777 20 5 GFBDRM CCOC(=O)CSc1nnc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)s1 ZINC000147145574 551398067 /nfs/dbraw/zinc/39/80/67/551398067.db2.gz ZINLEQZFIWYHTF-UHFFFAOYSA-N -1 0 382.423 2.662 20 5 GFBDRM CC(C)n1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000157635628 551540211 /nfs/dbraw/zinc/54/02/11/551540211.db2.gz XMIQBCXMSNQWHP-UHFFFAOYSA-N -1 0 376.341 2.774 20 5 GFBDRM Cc1c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n(C)nc1C(F)(F)F ZINC000185956914 552375145 /nfs/dbraw/zinc/37/51/45/552375145.db2.gz GJCFUENUEFBSPN-UHFFFAOYSA-N -1 0 378.332 2.765 20 5 GFBDRM C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H]1C(=O)[O-] ZINC000424265234 563375410 /nfs/dbraw/zinc/37/54/10/563375410.db2.gz SQPVJFBCOSDQMV-YMTOWFKASA-N -1 0 385.214 2.612 20 5 GFBDRM Cc1nc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])ccc1I ZINC000429022419 563507624 /nfs/dbraw/zinc/50/76/24/563507624.db2.gz BRNYPXZGXIHEST-UHFFFAOYSA-N -1 0 399.144 2.861 20 5 GFBDRM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2c(F)cc(F)cc2F)c1 ZINC000432197460 563577024 /nfs/dbraw/zinc/57/70/24/563577024.db2.gz YOTYSRFAGQFUDC-UHFFFAOYSA-N -1 0 376.268 2.511 20 5 GFBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(C)cc2Br)c([N+](=O)[O-])n1 ZINC000435727755 563657186 /nfs/dbraw/zinc/65/71/86/563657186.db2.gz FLQLABPHSDNUCH-UHFFFAOYSA-N -1 0 389.231 2.683 20 5 GFBDRM O=C(N[C@@H](CO)c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436861483 563683183 /nfs/dbraw/zinc/68/31/83/563683183.db2.gz BNMYWEZNAQDYBZ-ZDUSSCGKSA-N -1 0 381.182 2.526 20 5 GFBDRM CC(C)OCc1nc([C@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])no1 ZINC000290789912 563721271 /nfs/dbraw/zinc/72/12/71/563721271.db2.gz NYBSIZRFVKARBV-QMMMGPOBSA-N -1 0 390.443 2.541 20 5 GFBDRM Cc1sc(S(=O)(=O)[N-]c2cccc([C@H]3CCC(=O)N3)c2)cc1[N+](=O)[O-] ZINC000414395208 563733791 /nfs/dbraw/zinc/73/37/91/563733791.db2.gz JORDNJABMGPRDC-GFCCVEGCSA-N -1 0 381.435 2.717 20 5 GFBDRM COC(=O)c1cncc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000507075443 564218083 /nfs/dbraw/zinc/21/80/83/564218083.db2.gz AXSBRSCSOMRKJI-UHFFFAOYSA-N -1 0 385.785 2.539 20 5 GFBDRM COc1ccc(S(=O)(=O)[N-]c2nc(CC(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000451061936 564269078 /nfs/dbraw/zinc/26/90/78/564269078.db2.gz YQEXMOONDDDCQW-UHFFFAOYSA-N -1 0 397.356 2.966 20 5 GFBDRM O=C(NCC1CCN(CC(F)F)CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565204822 564271089 /nfs/dbraw/zinc/27/10/89/564271089.db2.gz MTCAGHCALVUXKS-UHFFFAOYSA-N -1 0 377.775 2.661 20 5 GFBDRM C[C@@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000565774797 564294503 /nfs/dbraw/zinc/29/45/03/564294503.db2.gz RYAGJGWKXKEMEK-SCZZXKLOSA-N -1 0 390.177 2.746 20 5 GFBDRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000542763026 564324971 /nfs/dbraw/zinc/32/49/71/564324971.db2.gz PQQFAHXKRFCIFD-UHFFFAOYSA-N -1 0 387.215 2.565 20 5 GFBDRM O=C(N[C@@H](CO)c1ccc(Br)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000542811646 564327526 /nfs/dbraw/zinc/32/75/26/564327526.db2.gz NCVGLWAYRATSSQ-AWEZNQCLSA-N -1 0 381.182 2.526 20 5 GFBDRM CN([C@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000542862123 564329614 /nfs/dbraw/zinc/32/96/14/564329614.db2.gz PSISMTCIFIRFCJ-LLVKDONJSA-N -1 0 378.834 2.758 20 5 GFBDRM CCc1ncc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000451956257 564372537 /nfs/dbraw/zinc/37/25/37/564372537.db2.gz GNXSXLGGDSZZBS-UHFFFAOYSA-N -1 0 380.209 2.931 20 5 GFBDRM CS(=O)(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000545468789 564424513 /nfs/dbraw/zinc/42/45/13/564424513.db2.gz PIQQUTHTWXPHHL-UHFFFAOYSA-N -1 0 396.855 2.514 20 5 GFBDRM Cc1sc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3)cc1[N+](=O)[O-] ZINC000479550344 564443491 /nfs/dbraw/zinc/44/34/91/564443491.db2.gz BZAIWSVJRXUVFZ-UHFFFAOYSA-N -1 0 382.423 2.743 20 5 GFBDRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000547933401 564522412 /nfs/dbraw/zinc/52/24/12/564522412.db2.gz RFNVWTQISHPNEF-PWSUYJOCSA-N -1 0 390.845 2.950 20 5 GFBDRM O=C([O-])[C@H]1CCCCCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000547933400 564522900 /nfs/dbraw/zinc/52/29/00/564522900.db2.gz RFNVWTQISHPNEF-JQWIXIFHSA-N -1 0 390.845 2.950 20 5 GFBDRM COC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000481987066 564530904 /nfs/dbraw/zinc/53/09/04/564530904.db2.gz WFLYDHRUHULFHY-UHFFFAOYSA-N -1 0 376.437 2.922 20 5 GFBDRM CC(C)(C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000548205687 564536787 /nfs/dbraw/zinc/53/67/87/564536787.db2.gz AJQAIJSWBDWGSO-VIFPVBQESA-N -1 0 378.834 2.664 20 5 GFBDRM O=C([O-])C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000548242732 564542202 /nfs/dbraw/zinc/54/22/02/564542202.db2.gz IGGFSHMONBNHNZ-CQSZACIVSA-N -1 0 384.797 2.743 20 5 GFBDRM Cc1ccc(C[C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)s1 ZINC000572117827 564581944 /nfs/dbraw/zinc/58/19/44/564581944.db2.gz CGPUNSKTJXASMN-VIFPVBQESA-N -1 0 384.435 2.572 20 5 GFBDRM O=C([O-])c1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000484565894 564590868 /nfs/dbraw/zinc/59/08/68/564590868.db2.gz COIBQEULCQYSIW-UHFFFAOYSA-N -1 0 384.797 2.931 20 5 GFBDRM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000576452640 564713846 /nfs/dbraw/zinc/71/38/46/564713846.db2.gz QQAMBCUSCBQGCF-CYBMUJFWSA-N -1 0 384.175 2.722 20 5 GFBDRM CC1(C)CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000579668012 564751489 /nfs/dbraw/zinc/75/14/89/564751489.db2.gz NWUQSWVGJKFAQB-NSHDSACASA-N -1 0 376.818 2.512 20 5 GFBDRM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000462252063 564828932 /nfs/dbraw/zinc/82/89/32/564828932.db2.gz JAZXNBASUXNYMQ-RXMQYKEDSA-N -1 0 381.197 2.633 20 5 GFBDRM O=C([O-])C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000532868103 564948105 /nfs/dbraw/zinc/94/81/05/564948105.db2.gz XWYKICIBTCFDAQ-SNVBAGLBSA-N -1 0 385.214 2.613 20 5 GFBDRM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2SC)c([N+](=O)[O-])n1 ZINC000534497031 564990047 /nfs/dbraw/zinc/99/00/47/564990047.db2.gz QHIRRVPISVIQTH-UHFFFAOYSA-N -1 0 376.847 2.987 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCO[C@@H]1C1CC1 ZINC000535531642 565015770 /nfs/dbraw/zinc/01/57/70/565015770.db2.gz BYZKSNOGRUMTGW-CMPLNLGQSA-N -1 0 381.237 2.747 20 5 GFBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1C ZINC000614314947 565106596 /nfs/dbraw/zinc/10/65/96/565106596.db2.gz SQJGDJQAQFPXJJ-NSHDSACASA-N -1 0 384.435 2.767 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000590898026 565209600 /nfs/dbraw/zinc/20/96/00/565209600.db2.gz DUKOODJEXCPCHP-NSHDSACASA-N -1 0 384.435 2.767 20 5 GFBDRM CCS[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000592140524 565260200 /nfs/dbraw/zinc/26/02/00/565260200.db2.gz UHPWXCLPOAKORG-JSGCOSHPSA-N -1 0 388.467 2.554 20 5 GFBDRM C[C@H](C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000594574100 565400310 /nfs/dbraw/zinc/40/03/10/565400310.db2.gz VQYMXCKLIJXCGM-MNOVXSKESA-N -1 0 390.845 2.760 20 5 GFBDRM C[C@@H](C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000594574102 565400502 /nfs/dbraw/zinc/40/05/02/565400502.db2.gz VQYMXCKLIJXCGM-WDEREUQCSA-N -1 0 390.845 2.760 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)nn2C)c(C)cc1[N+](=O)[O-] ZINC000596047039 565509957 /nfs/dbraw/zinc/50/99/57/565509957.db2.gz SUXXTZNNWYIGFZ-UHFFFAOYSA-N -1 0 378.332 2.765 20 5 GFBDRM C[C@@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC000599227110 565662794 /nfs/dbraw/zinc/66/27/94/565662794.db2.gz SPDKIBJMUFAVCW-QMMMGPOBSA-N -1 0 393.252 2.717 20 5 GFBDRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000599460272 565681237 /nfs/dbraw/zinc/68/12/37/565681237.db2.gz VEHPJZFABLDUKG-OUDXYJABSA-N -1 0 383.253 2.992 20 5 GFBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCCSCc2ccccc2F)ccc1[O-] ZINC000604468607 565929946 /nfs/dbraw/zinc/92/99/46/565929946.db2.gz CYIBIMBJVZSOHF-UHFFFAOYSA-N -1 0 386.426 2.651 20 5 GFBDRM COc1ccc(CC(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1[N+](=O)[O-] ZINC000609445034 566039355 /nfs/dbraw/zinc/03/93/55/566039355.db2.gz MECYHHZKDHBFLM-UHFFFAOYSA-N -1 0 376.419 2.787 20 5 GFBDRM CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000610409394 566079783 /nfs/dbraw/zinc/07/97/83/566079783.db2.gz FKQBWMSPRCGDRJ-ZETCQYMHSA-N -1 0 396.372 2.895 20 5 GFBDRM O=C([O-])C[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000532868120 597101088 /nfs/dbraw/zinc/10/10/88/597101088.db2.gz QCFRSZOMKIWKAC-OAHLLOKOSA-N -1 0 378.428 2.868 20 5 GFBDRM O=C([O-])CCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000740481273 597112434 /nfs/dbraw/zinc/11/24/34/597112434.db2.gz MSBFYDCSNIUTMX-UHFFFAOYSA-N -1 0 391.767 2.705 20 5 GFBDRM C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000737715939 597493894 /nfs/dbraw/zinc/49/38/94/597493894.db2.gz CTXWSYQKCNIAKN-LLVKDONJSA-N -1 0 386.360 2.522 20 5 GFBDRM O=C([O-])CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000821524598 598044405 /nfs/dbraw/zinc/04/44/05/598044405.db2.gz LXNURNLRLZVZEE-UHFFFAOYSA-N -1 0 378.724 2.708 20 5 GFBDRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC000738236600 599746260 /nfs/dbraw/zinc/74/62/60/599746260.db2.gz NHMFKSQWTXEMCP-MRVPVSSYSA-N -1 0 396.302 2.944 20 5 GFBDRM COc1ccc([C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000263145960 599754865 /nfs/dbraw/zinc/75/48/65/599754865.db2.gz KQFFUAWVZZLFTM-GOSISDBHSA-N -1 0 399.403 2.759 20 5 GFBDRM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Oc2cccc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000738201344 599808490 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SNAREVVCLMJSRF-CQSZACIVSA-N -1 0 392.433 2.662 20 5 GFBDRM O=C([O-])c1cc(F)ccc1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000740077168 600113183 /nfs/dbraw/zinc/11/31/83/600113183.db2.gz GOFVKHIAHSKPTJ-UHFFFAOYSA-N -1 0 377.280 2.560 20 5 GFBDRM Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000738226073 600118153 /nfs/dbraw/zinc/11/81/53/600118153.db2.gz HUXGGSITORKYIU-MRXNPFEDSA-N -1 0 386.408 2.801 20 5 GFBDRM CC[C@@](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000736911405 600128445 /nfs/dbraw/zinc/12/84/45/600128445.db2.gz VUHZIMAVENVLEW-SFHVURJKSA-N -1 0 376.340 2.619 20 5 GFBDRM CC[C@@](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000736915006 600132444 /nfs/dbraw/zinc/13/24/44/600132444.db2.gz YSWKTIVZXZXRIC-IBGZPJMESA-N -1 0 386.360 2.501 20 5 GFBDRM O=C([O-])Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n[nH]1 ZINC000739908513 600180788 /nfs/dbraw/zinc/18/07/88/600180788.db2.gz CZSRKIJMFMMEJO-UHFFFAOYSA-N -1 0 399.388 2.744 20 5 GFBDRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)NC(=O)C1CCCCC1 ZINC000736547959 600186906 /nfs/dbraw/zinc/18/69/06/600186906.db2.gz HCFPIYJQGNRPEB-LLVKDONJSA-N -1 0 377.397 2.707 20 5 GFBDRM O=C([O-])c1cccc(OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000738694340 600190101 /nfs/dbraw/zinc/19/01/01/600190101.db2.gz VBQXBUDRESEZBN-LBPRGKRZSA-N -1 0 390.373 2.565 20 5 GFBDRM O=C([O-])c1cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000739252768 600191397 /nfs/dbraw/zinc/19/13/97/600191397.db2.gz XZAWSSZLDCXKMI-UHFFFAOYSA-N -1 0 375.293 2.609 20 5 GFBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000576772702 600253417 /nfs/dbraw/zinc/25/34/17/600253417.db2.gz RGAKGAAUESXLLS-UHFFFAOYSA-N -1 0 376.390 2.743 20 5 GFBDRM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2O1 ZINC000739603613 600393784 /nfs/dbraw/zinc/39/37/84/600393784.db2.gz AACZDKCTHOKRST-HNNXBMFYSA-N -1 0 376.752 2.670 20 5 GFBDRM 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GFBDRM O=C([N-]S(=O)(=O)c1ccc2onc(Cl)c2c1)c1cccc([N+](=O)[O-])c1 ZINC000821613881 660330277 /nfs/dbraw/zinc/33/02/77/660330277.db2.gz GUAHHNVOIQPMGW-UHFFFAOYSA-N -1 0 381.753 2.508 20 5 GFBDRM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1 ZINC000829687314 660607215 /nfs/dbraw/zinc/60/72/15/660607215.db2.gz FNYUAFOZJNVRJA-UHFFFAOYSA-N -1 0 395.825 2.807 20 5 GFBDRM COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 ZINC000829921626 660622791 /nfs/dbraw/zinc/62/27/91/660622791.db2.gz RTXKRDNKHNIYIM-MRVPVSSYSA-N -1 0 392.796 2.592 20 5 GFBDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000830824287 660681954 /nfs/dbraw/zinc/68/19/54/660681954.db2.gz YVWWTRCINBXUNL-CYBMUJFWSA-N -1 0 379.722 2.531 20 5 GFBDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000830821552 660682049 /nfs/dbraw/zinc/68/20/49/660682049.db2.gz KFBPJMHFBXUTOH-ZDUSSCGKSA-N -1 0 379.722 2.531 20 5 GFBDRM 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RGLGEDCYALCZJO-MCIONIFRSA-N -1 0 392.456 2.805 20 5 GFBDRM O=C([O-])N1CCC[C@@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000740417518 602583875 /nfs/dbraw/zinc/58/38/75/602583875.db2.gz LZFNJYMSODKYHL-GFCCVEGCSA-N -1 0 376.394 2.591 20 5 GFBDRM Cc1c(C(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000740040662 602630422 /nfs/dbraw/zinc/63/04/22/602630422.db2.gz NNQXKRARDYDVNT-LBPRGKRZSA-N -1 0 394.384 2.630 20 5 GFBDRM O=C([O-])NCc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000740673774 602637499 /nfs/dbraw/zinc/63/74/99/602637499.db2.gz HWUBMPVDXTTXAX-UHFFFAOYSA-N -1 0 397.434 2.565 20 5 GFBDRM O=C([O-])Nc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(C(F)(F)F)c1 ZINC000740708526 602643875 /nfs/dbraw/zinc/64/38/75/602643875.db2.gz FVZNHSRXSDPMPQ-UHFFFAOYSA-N -1 0 387.274 2.929 20 5 GFBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739053412 602755719 /nfs/dbraw/zinc/75/57/19/602755719.db2.gz SHMNCWFDODCREE-NWDGAFQWSA-N -1 0 381.454 2.970 20 5 GFBDRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000740619214 602760750 /nfs/dbraw/zinc/76/07/50/602760750.db2.gz CFAYTKUFSAXBMJ-CMPLNLGQSA-N -1 0 385.804 2.570 20 5 GFBDRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000740625884 602777992 /nfs/dbraw/zinc/77/79/92/602777992.db2.gz MLXBIAFYRGCGIO-UFBFGSQYSA-N -1 0 386.202 2.523 20 5 GFBDRM COc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2CNC(=O)[O-])cc1SC ZINC000739871722 602798428 /nfs/dbraw/zinc/79/84/28/602798428.db2.gz KSNTZUSTSCBJOW-SNVBAGLBSA-N -1 0 383.426 2.588 20 5 GFBDRM O=C([O-])NC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000740623023 602800531 /nfs/dbraw/zinc/80/05/31/602800531.db2.gz KKIQBTALTFQLDB-SNVBAGLBSA-N -1 0 386.202 2.620 20 5 GFBDRM O=C([O-])NC[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740635105 602955590 /nfs/dbraw/zinc/95/55/90/602955590.db2.gz PHIPTEHFOVDIEY-LLVKDONJSA-N -1 0 385.804 2.523 20 5 GFBDRM O=C([O-])N1CCC(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740498347 603061627 /nfs/dbraw/zinc/06/16/27/603061627.db2.gz WMSQECUNIMLLHF-MRXNPFEDSA-N -1 0 379.438 2.949 20 5 GFBDRM CN(C[C@@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)[O-] ZINC000828197999 603158283 /nfs/dbraw/zinc/15/82/83/603158283.db2.gz FKDIFYKFWFVPOP-HNNXBMFYSA-N -1 0 393.443 2.756 20 5 GFBDRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000740626513 603301791 /nfs/dbraw/zinc/30/17/91/603301791.db2.gz YBGLHHLIMIBZKB-YOEHRIQHSA-N -1 0 393.443 2.707 20 5 GFBDRM CC1CCN(c2ccc(C(=O)N3CC[C@H](N(C)C(=O)[O-])C3)cc2[N+](=O)[O-])CC1 ZINC000825955234 603515896 /nfs/dbraw/zinc/51/58/96/603515896.db2.gz GLXZWSQLOBUHPK-HNNXBMFYSA-N -1 0 390.440 2.655 20 5 GFBDRM CCN(CC1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1)C(=O)[O-] ZINC000827104821 603601291 /nfs/dbraw/zinc/60/12/91/603601291.db2.gz LPNLOKPNGQWWAB-UHFFFAOYSA-N -1 0 388.428 2.523 20 5 GFBDRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000829611893 603716367 /nfs/dbraw/zinc/71/63/67/603716367.db2.gz XAFFHQSWWQAEIT-OAHLLOKOSA-N -1 0 393.783 2.882 20 5 GFBDRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000831794185 603955989 /nfs/dbraw/zinc/95/59/89/603955989.db2.gz WTIDAULMILGTTN-UHFFFAOYSA-N -1 0 385.332 2.659 20 5 GFBDRM COc1ccccc1[C@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])NC(=O)[O-] ZINC000829599362 604032851 /nfs/dbraw/zinc/03/28/51/604032851.db2.gz UPPWGPQJYPKBCL-AWEZNQCLSA-N -1 0 391.355 2.790 20 5 GFBDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000824204247 604237014 /nfs/dbraw/zinc/23/70/14/604237014.db2.gz PNRHMHPVAHGWHT-JTQLQIEISA-N -1 0 388.218 2.769 20 5 GFBDRM CN(C1(C(=O)[O-])CCCC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000830650912 604417563 /nfs/dbraw/zinc/41/75/63/604417563.db2.gz DNKLCGXXYRGEDF-UHFFFAOYSA-N -1 0 397.236 2.920 20 5 GFBDRM O=C([O-])c1ccc(F)c(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000833115264 604432265 /nfs/dbraw/zinc/43/22/65/604432265.db2.gz HPUCITBQECOHIW-UHFFFAOYSA-N -1 0 385.307 2.998 20 5 GFBDRM COc1cc(OC)cc([C@@H](OC(=O)c2cccc([N+](=O)[O-])c2C)C(=O)[O-])c1 ZINC000832080048 604547598 /nfs/dbraw/zinc/54/75/98/604547598.db2.gz HNAFLXKLFXFVGP-MRXNPFEDSA-N -1 0 375.333 2.903 20 5 GFBDRM Cc1cc([C@H](C)OC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)oc1C(=O)[O-] ZINC000832877336 604574003 /nfs/dbraw/zinc/57/40/03/604574003.db2.gz XKOAFLXIFFAWAR-VIFPVBQESA-N -1 0 397.361 2.516 20 5 GFBDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000262074560 604609303 /nfs/dbraw/zinc/60/93/03/604609303.db2.gz JGOQHGJKNZCYAV-OAHLLOKOSA-N -1 0 388.376 2.866 20 5 GFBDRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1 ZINC000825334221 604680981 /nfs/dbraw/zinc/68/09/81/604680981.db2.gz GLPSTLZPLUBDBR-FZKQIMNGSA-N -1 0 379.416 2.885 20 5 GFBDRM Cc1nnc(-c2cccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)n1C ZINC000833017546 604832483 /nfs/dbraw/zinc/83/24/83/604832483.db2.gz BZYXQGCXTBIJQJ-UHFFFAOYSA-N -1 0 381.348 2.649 20 5 GFBDRM COC(=O)c1cc([N+](=O)[O-])c(N2CCC([C@@H](C)NC(=O)[O-])CC2)cc1Cl ZINC000828761422 604890708 /nfs/dbraw/zinc/89/07/08/604890708.db2.gz TUSNRTRUQCFWSJ-SECBINFHSA-N -1 0 385.804 2.907 20 5 GFBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000833416109 604915294 /nfs/dbraw/zinc/91/52/94/604915294.db2.gz WVDHILDMEXACAK-JTQLQIEISA-N -1 0 397.815 2.536 20 5 GFBDRM Nc1c(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc(F)cc1[N+](=O)[O-] ZINC000833089930 604940156 /nfs/dbraw/zinc/94/01/56/604940156.db2.gz HLVGCXQMBXPEAC-UHFFFAOYSA-N -1 0 383.719 2.685 20 5 GFBDRM CCc1csc(-n2cc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cn2)n1 ZINC000833676252 605006502 /nfs/dbraw/zinc/00/65/02/605006502.db2.gz ICDFACBTFSQJSP-UHFFFAOYSA-N -1 0 387.377 2.750 20 5 GFBDRM CC1(C)C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CCO1 ZINC000833557557 605007934 /nfs/dbraw/zinc/00/79/34/605007934.db2.gz YTHQDFLYJHHOBW-NSHDSACASA-N -1 0 382.438 2.849 20 5 GFBDRM Cc1ccc([C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C(=O)[O-])cc1 ZINC000439935655 605042698 /nfs/dbraw/zinc/04/26/98/605042698.db2.gz UGSMAGWWBPJOHV-HNNXBMFYSA-N -1 0 394.387 2.687 20 5 GFBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC000833538032 605270805 /nfs/dbraw/zinc/27/08/05/605270805.db2.gz AJWFHTUFCXLZEN-BJOHPYRUSA-N -1 0 394.767 2.663 20 5 GFBDRM C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])Cc2ccccc21 ZINC000833631794 605389617 /nfs/dbraw/zinc/38/96/17/605389617.db2.gz RKXPQQPHRZHDCK-LLVKDONJSA-N -1 0 376.390 2.601 20 5 GFBDRM CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])c1cccc(F)c1 ZINC000833459632 605396376 /nfs/dbraw/zinc/39/63/76/605396376.db2.gz IADQJAADCYIJQM-UHFFFAOYSA-N -1 0 396.396 2.688 20 5 GFBDRM CN(Cc1cc2ccccc2o1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833693982 605400044 /nfs/dbraw/zinc/40/00/44/605400044.db2.gz DCKXHINWCFVKQU-UHFFFAOYSA-N -1 0 390.373 2.860 20 5 GFBDRM CC[C@@H](NC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000826598912 605407736 /nfs/dbraw/zinc/40/77/36/605407736.db2.gz AKWKAIKBBYRMEW-HZPDHXFCSA-N -1 0 376.413 2.972 20 5 GFBDRM O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000834185220 605474953 /nfs/dbraw/zinc/47/49/53/605474953.db2.gz WWNVVAHNHJZWLG-NWANDNLSSA-N -1 0 388.424 2.677 20 5 GFBDRM CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000833863150 605488811 /nfs/dbraw/zinc/48/88/11/605488811.db2.gz STIBNJLDNXJSTR-BFHYXJOUSA-N -1 0 377.397 2.502 20 5 GFBDRM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000834045345 605533569 /nfs/dbraw/zinc/53/35/69/605533569.db2.gz MVCRRKCLOYIZDR-DOTOQJQBSA-N -1 0 390.440 2.701 20 5 GFBDRM C[C@H](NC(=O)[O-])[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000833817222 605678413 /nfs/dbraw/zinc/67/84/13/605678413.db2.gz HAQGOUHKLUSFAR-SJCJKPOMSA-N -1 0 375.381 2.712 20 5 GFBDRM O=C([O-])N1CC(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000834036584 605751599 /nfs/dbraw/zinc/75/15/99/605751599.db2.gz MCYLSLKNCWBZHJ-UHFFFAOYSA-N -1 0 384.392 2.547 20 5 GFBDRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000825831982 605771262 /nfs/dbraw/zinc/77/12/62/605771262.db2.gz PCRBWCMCEQKOIP-KCJUWKMLSA-N -1 0 386.202 2.618 20 5 GFBDRM CC[C@@]1(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCN1C(=O)[O-] ZINC000833846752 605801725 /nfs/dbraw/zinc/80/17/25/605801725.db2.gz VHESRDVGAZCYGZ-KRWDZBQOSA-N -1 0 390.352 2.611 20 5 GFBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000825612826 605855791 /nfs/dbraw/zinc/85/57/91/605855791.db2.gz WZQITWGCVDTYCX-SCVCMEIPSA-N -1 0 385.804 2.663 20 5 GFBDRM O=C([O-])N1CCC2(CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000834090878 605874262 /nfs/dbraw/zinc/87/42/62/605874262.db2.gz SYXMRCLWALIPPU-UHFFFAOYSA-N -1 0 379.438 2.679 20 5 GFBDRM O=C([O-])N1CCc2ncc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2C1 ZINC000834056979 605917725 /nfs/dbraw/zinc/91/77/25/605917725.db2.gz AGVBHYDWPIWYHQ-UHFFFAOYSA-N -1 0 378.291 2.556 20 5 GFBDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C2 ZINC000834015387 605938184 /nfs/dbraw/zinc/93/81/84/605938184.db2.gz ILFPFLJVQXLLBE-FUCXHRTASA-N -1 0 388.424 2.942 20 5 GFBDRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000834092608 605979613 /nfs/dbraw/zinc/97/96/13/605979613.db2.gz HFBSJXAFMVNXIO-WBVHZDCISA-N -1 0 390.440 2.844 20 5 GFBDRM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000822035449 607154238 /nfs/dbraw/zinc/15/42/38/607154238.db2.gz VCZKEQXGITXZLX-UHFFFAOYSA-N -1 0 394.800 2.538 20 5 GFBDRM CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000825333251 609500989 /nfs/dbraw/zinc/50/09/89/609500989.db2.gz UDFNYYJFSGTRDX-UHFFFAOYSA-N -1 0 383.368 2.555 20 5 GFBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1noc(-c2cccs2)n1 ZINC000539813341 650341502 /nfs/dbraw/zinc/34/15/02/650341502.db2.gz LHBHEVMPSZNCAV-UHFFFAOYSA-N -1 0 382.379 2.516 20 5 GFBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000817864448 660211313 /nfs/dbraw/zinc/21/13/13/660211313.db2.gz HVRLJHFURLSRJG-HTQZYQBOSA-N -1 0 397.236 2.633 20 5 GFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H](C(=O)[O-])C(C)C ZINC000819089588 660246180 /nfs/dbraw/zinc/24/61/80/660246180.db2.gz LROLJOHLXRWDCZ-ZANVPECISA-N -1 0 378.834 2.580 20 5 GFBDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)ccc1C(N)=O ZINC000821177919 660317912 /nfs/dbraw/zinc/31/79/12/660317912.db2.gz MAWZWQGOPDNFDM-UHFFFAOYSA-N -1 0 387.776 2.595 20 5 GFBDRM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]c1cc([C@@H]2CCCO2)[nH]n1 ZINC000829864141 660617849 /nfs/dbraw/zinc/61/78/49/660617849.db2.gz JVUSDKPNLXMJNG-NSHDSACASA-N -1 0 390.780 2.763 20 5 GFBDRM 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ZINC000837295882 660984347 /nfs/dbraw/zinc/98/43/47/660984347.db2.gz LXEDLZIALHRIDM-CMPLNLGQSA-N -1 0 390.845 2.950 20 5 GFBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nnc(-c3ccccn3)s2)ccc1Cl ZINC000126303848 654812326 /nfs/dbraw/zinc/81/23/26/654812326.db2.gz FTRTVNUYHCMJOJ-UHFFFAOYSA-N -1 0 397.825 2.963 20 5 GFBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000268743960 654985143 /nfs/dbraw/zinc/98/51/43/654985143.db2.gz ZRQZWPXJGZLUGS-UHFFFAOYSA-N -1 0 396.372 2.914 20 5 GFBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H](CC)CC(F)F ZINC000838937343 661064011 /nfs/dbraw/zinc/06/40/11/661064011.db2.gz YALWUDWBGJYFTD-VIFPVBQESA-N -1 0 379.385 2.513 20 5 GFBDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176053926 655233066 /nfs/dbraw/zinc/23/30/66/655233066.db2.gz HCSLGNBXCAMPCA-UHFFFAOYSA-N -1 0 379.232 2.606 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cnc(C(C)(C)C)s2)ccc1[N+](=O)[O-] ZINC000115924838 655243186 /nfs/dbraw/zinc/24/31/86/655243186.db2.gz FCYLTTATRFXTNZ-UHFFFAOYSA-N -1 0 383.451 2.776 20 5 GFBDRM COCCCn1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000116160847 655245600 /nfs/dbraw/zinc/24/56/00/655245600.db2.gz DPFYRVPHTHPHGN-UHFFFAOYSA-N -1 0 388.833 2.590 20 5 GFBDRM CC(C)CCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000176827454 655257229 /nfs/dbraw/zinc/25/72/29/655257229.db2.gz OSLKXHGADFZBPS-UHFFFAOYSA-N -1 0 379.232 2.598 20 5 GFBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000263125521 655449745 /nfs/dbraw/zinc/44/97/45/655449745.db2.gz YISGSZBOPXRJIQ-AWEZNQCLSA-N -1 0 389.177 2.823 20 5 GFBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000263172952 655450074 /nfs/dbraw/zinc/45/00/74/655450074.db2.gz JMRMDXBZEPNPSO-ONGXEEELSA-N -1 0 385.214 2.612 20 5 GFBDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000732903675 655604522 /nfs/dbraw/zinc/60/45/22/655604522.db2.gz MJXOFSJKWFOKMV-JTQLQIEISA-N -1 0 390.483 2.821 20 5 GFBDRM C[C@H]1CCC[C@H](OCC(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000733051414 655607009 /nfs/dbraw/zinc/60/70/09/655607009.db2.gz CPUJFVTVTUVPJQ-QWRGUYRKSA-N -1 0 390.845 2.648 20 5 GFBDRM Cc1cc(OC(F)F)c(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)s1 ZINC000734082504 655626382 /nfs/dbraw/zinc/62/63/82/655626382.db2.gz ACYODZNBCLIPIH-UHFFFAOYSA-N -1 0 398.390 2.746 20 5 GFBDRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000737317669 655670911 /nfs/dbraw/zinc/67/09/11/655670911.db2.gz DTTAMHXQPWMVPT-UHFFFAOYSA-N -1 0 382.781 2.570 20 5 GFBDRM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000747603165 655780493 /nfs/dbraw/zinc/78/04/93/655780493.db2.gz WXCCOEFDLXPVMR-UHFFFAOYSA-N -1 0 385.785 2.638 20 5 GFBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc2ccc(Cl)cc2n1 ZINC000752180550 655840098 /nfs/dbraw/zinc/84/00/98/655840098.db2.gz CHXWOVZIRUEITB-UHFFFAOYSA-N -1 0 397.821 2.977 20 5 GFBDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2)c1Cl ZINC000761250893 656005205 /nfs/dbraw/zinc/00/52/05/656005205.db2.gz WGSLOSPEGCRBIK-UHFFFAOYSA-N -1 0 384.797 2.733 20 5 GFBDRM CC(C)NC(=O)Nc1ccccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768866849 656257694 /nfs/dbraw/zinc/25/76/94/656257694.db2.gz DEHXDUUOHLRYDR-UHFFFAOYSA-N -1 0 384.439 2.987 20 5 GFBDRM Cc1scc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)c1C ZINC000773783108 656471316 /nfs/dbraw/zinc/47/13/16/656471316.db2.gz CSLJRZTXAFLZCL-UHFFFAOYSA-N -1 0 389.842 2.627 20 5 GFBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nnc(Cc3ccc(F)cc3)o2)cs1 ZINC000775095845 656598564 /nfs/dbraw/zinc/59/85/64/656598564.db2.gz NBINESDNBMSFTA-UHFFFAOYSA-N -1 0 384.370 2.570 20 5 GFBDRM CS(=O)(=O)Nc1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1Cl ZINC000776204528 656719781 /nfs/dbraw/zinc/71/97/81/656719781.db2.gz PACDCVUALBEHEB-UHFFFAOYSA-N -1 0 385.785 2.578 20 5 GFBDRM COC(=O)c1csc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1C ZINC000776281600 656725714 /nfs/dbraw/zinc/72/57/14/656725714.db2.gz DULPTZWLRYXGKL-UHFFFAOYSA-N -1 0 388.398 3.000 20 5 GFBDRM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000776527164 656751820 /nfs/dbraw/zinc/75/18/20/656751820.db2.gz OWLCMUATOBWCEM-BDAKNGLRSA-N -1 0 391.243 2.598 20 5 GFBDRM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000776534233 656753884 /nfs/dbraw/zinc/75/38/84/656753884.db2.gz WZXIZVGLMZBMOA-RKDXNWHRSA-N -1 0 391.243 2.598 20 5 GFBDRM O=C([O-])CCCCCCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000776551820 656756627 /nfs/dbraw/zinc/75/66/27/656756627.db2.gz LZIPKENEWRCXMS-UHFFFAOYSA-N -1 0 378.834 2.952 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000776565142 656759070 /nfs/dbraw/zinc/75/90/70/656759070.db2.gz LNNPBDSXIPWUKQ-LLVKDONJSA-N -1 0 384.435 2.790 20 5 GFBDRM CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000776684661 656779854 /nfs/dbraw/zinc/77/98/54/656779854.db2.gz BZRYYQBWQAVHPQ-CYBMUJFWSA-N -1 0 378.834 2.676 20 5 GFBDRM CC(C)c1nc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])no1 ZINC000778097009 656862212 /nfs/dbraw/zinc/86/22/12/656862212.db2.gz MWHJUXHVSFYJRS-UHFFFAOYSA-N -1 0 391.203 2.665 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000778330035 656875550 /nfs/dbraw/zinc/87/55/50/656875550.db2.gz IMIMJXKDFYXJII-UHFFFAOYSA-N -1 0 397.718 2.714 20 5 GFBDRM CCOc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000779187802 656903114 /nfs/dbraw/zinc/90/31/14/656903114.db2.gz LNBYYFAVGMLVJH-UHFFFAOYSA-N -1 0 384.797 2.766 20 5 GFBDRM CCC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000780330758 656998996 /nfs/dbraw/zinc/99/89/96/656998996.db2.gz MWXOLQINGORMOO-MNOVXSKESA-N -1 0 390.845 2.648 20 5 GFBDRM CS[C@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000781838102 657082574 /nfs/dbraw/zinc/08/25/74/657082574.db2.gz NWTQWZRPQJYRBG-AWEZNQCLSA-N -1 0 384.410 2.643 20 5 GFBDRM Cc1ccsc1CCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000781839564 657083310 /nfs/dbraw/zinc/08/33/10/657083310.db2.gz WAKRXBTXEMQGRF-UHFFFAOYSA-N -1 0 386.426 2.932 20 5 GFBDRM COC(=O)c1nscc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000783834870 657264512 /nfs/dbraw/zinc/26/45/12/657264512.db2.gz AWFCXUUVLZHZNV-UHFFFAOYSA-N -1 0 391.814 2.601 20 5 GFBDRM C/C(=C/C(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000784926916 657332059 /nfs/dbraw/zinc/33/20/59/657332059.db2.gz UIFOEYDVIODYAW-NTMALXAHSA-N -1 0 381.797 2.552 20 5 GFBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000786417266 657427339 /nfs/dbraw/zinc/42/73/39/657427339.db2.gz IJDCIYCTCRBLHZ-HTQZYQBOSA-N -1 0 392.867 2.980 20 5 GFBDRM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(F)(F)F ZINC000786891725 657482736 /nfs/dbraw/zinc/48/27/36/657482736.db2.gz WNPPKZUYBGGRPM-VIFPVBQESA-N -1 0 391.165 2.977 20 5 GFBDRM Cc1cc(Cl)c(S(=O)(=O)N2[C@H](C(=O)[O-])CCC2(C)C)cc1[N+](=O)[O-] ZINC000787514724 657562340 /nfs/dbraw/zinc/56/23/40/657562340.db2.gz SDPHNQGLGXQFSD-JTQLQIEISA-N -1 0 376.818 2.573 20 5 GFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)CCSc1ccccc1 ZINC000789476438 657855383 /nfs/dbraw/zinc/85/53/83/657855383.db2.gz VLRBKINSGNPBIP-UHFFFAOYSA-N -1 0 380.447 2.891 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnc(Cl)cn2)c(Br)c1 ZINC000789762177 657888809 /nfs/dbraw/zinc/88/88/09/657888809.db2.gz UTVMHDVASBIEBK-UHFFFAOYSA-N -1 0 393.606 2.602 20 5 GFBDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(Cl)c1 ZINC000790773341 658021899 /nfs/dbraw/zinc/02/18/99/658021899.db2.gz MQWJTPZZBOJIQP-UHFFFAOYSA-N -1 0 382.825 2.913 20 5 GFBDRM O=C(OCc1cn(-c2ccccc2Br)nn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000793370370 658390777 /nfs/dbraw/zinc/39/07/77/658390777.db2.gz NFKCYMLBTJEWMZ-UHFFFAOYSA-N -1 0 392.169 2.623 20 5 GFBDRM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccco1 ZINC000795866874 658864006 /nfs/dbraw/zinc/86/40/06/658864006.db2.gz KQVQQYNZSMNOJO-JTQLQIEISA-N -1 0 378.765 2.646 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000797037368 658967662 /nfs/dbraw/zinc/96/76/62/658967662.db2.gz RKRWDXPVZDGHCM-ZJUUUORDSA-N -1 0 380.344 2.687 20 5 GFBDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000797065746 658972029 /nfs/dbraw/zinc/97/20/29/658972029.db2.gz SGERTBNLDXWJOF-UHFFFAOYSA-N -1 0 384.797 2.684 20 5 GFBDRM O=C(NC[C@H](O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000800588544 659322622 /nfs/dbraw/zinc/32/26/22/659322622.db2.gz GUHDZLDVTPZAHG-AWEZNQCLSA-N -1 0 381.182 2.526 20 5 GFBDRM COC(=O)C1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCCC1 ZINC000809807969 659940209 /nfs/dbraw/zinc/94/02/09/659940209.db2.gz VUOWUFQMNYJCTR-UHFFFAOYSA-N -1 0 394.808 2.542 20 5 GFBDRM CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(F)(F)F ZINC000809817392 659941646 /nfs/dbraw/zinc/94/16/46/659941646.db2.gz ZFWHZFSANIJEGU-VIFPVBQESA-N -1 0 397.158 2.757 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]CCCc2nccs2)c1 ZINC000810081519 659960214 /nfs/dbraw/zinc/96/02/14/659960214.db2.gz CSESDIPXMFVSPY-UHFFFAOYSA-N -1 0 379.822 2.755 20 5 GFBDRM Cc1cccc(CC(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000810518689 659976219 /nfs/dbraw/zinc/97/62/19/659976219.db2.gz OBTOUMJFJRGVPR-UHFFFAOYSA-N -1 0 382.825 2.745 20 5 GFBDRM CCC/C=C\C(=O)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000810733109 659984031 /nfs/dbraw/zinc/98/40/31/659984031.db2.gz QZLIHQSNANGTDS-PLNGDYQASA-N -1 0 395.206 2.658 20 5 GFBDRM O=C([O-])[C@@H]1CC[C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000811674627 660014114 /nfs/dbraw/zinc/01/41/14/660014114.db2.gz HHRCLKCOILXLBU-CWSCBRNRSA-N -1 0 388.829 2.512 20 5 GFBDRM CC(C)c1cc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])on1 ZINC000815012836 660101274 /nfs/dbraw/zinc/10/12/74/660101274.db2.gz ICNOZQLKEVCZDF-UHFFFAOYSA-N -1 0 377.781 2.977 20 5 GFBDRM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n[nH]1 ZINC000815029182 660104009 /nfs/dbraw/zinc/10/40/09/660104009.db2.gz LGTLAZPMVPYVTQ-ZETCQYMHSA-N -1 0 391.812 2.668 20 5 GFBDRM COCCCCS(=O)(=O)[N-][C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841560252 661301129 /nfs/dbraw/zinc/30/11/29/661301129.db2.gz GOYUUXOKEPOVMB-GFCCVEGCSA-N -1 0 388.339 2.683 20 5 GFBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C2(C(F)(F)F)CCC2)cccc1[N+](=O)[O-] ZINC000842403117 661337148 /nfs/dbraw/zinc/33/71/48/661337148.db2.gz FJWVAKKZLRKKGO-UHFFFAOYSA-N -1 0 380.344 2.582 20 5 GFBDRM C/C(=C/C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000842451496 661340332 /nfs/dbraw/zinc/34/03/32/661340332.db2.gz LMDQEROFJBZGJI-VURMDHGXSA-N -1 0 378.328 2.775 20 5 GFBDRM CC[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000843298830 661376874 /nfs/dbraw/zinc/37/68/74/661376874.db2.gz QHOIBMNTTLZGRP-NXEZZACHSA-N -1 0 376.818 2.573 20 5 GFBDRM CSCC1(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000845435314 661470098 /nfs/dbraw/zinc/47/00/98/661470098.db2.gz AUAKCYKEKCQVFW-UHFFFAOYSA-N -1 0 378.859 2.586 20 5 GFBDRM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(OC)OC ZINC000849408056 661717550 /nfs/dbraw/zinc/71/75/50/661717550.db2.gz ZEPTWONHRMXMTQ-VIFPVBQESA-N -1 0 387.241 2.577 20 5 GFBDRM O=C(CC[C@H]1CC1(Cl)Cl)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000850927234 661797132 /nfs/dbraw/zinc/79/71/32/661797132.db2.gz AHHRGPJZJGHCJR-ZETCQYMHSA-N -1 0 385.200 2.513 20 5 GFBDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(CC(F)(F)F)o2)c(C)c1[N+](=O)[O-] ZINC000857253016 662070535 /nfs/dbraw/zinc/07/05/35/662070535.db2.gz YVGCQVUTKGMGJJ-UHFFFAOYSA-N -1 0 380.304 2.500 20 5 GFBDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000881447169 662994471 /nfs/dbraw/zinc/99/44/71/662994471.db2.gz VALYJYNJYYXLQS-ZDUSSCGKSA-N -1 0 379.722 2.531 20 5 GFBDRM CSc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000916815630 664471523 /nfs/dbraw/zinc/47/15/23/664471523.db2.gz 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Cn1cc([C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(F)(F)F)cn1 ZINC000278926336 563276954 /nfs/dbraw/zinc/27/69/54/563276954.db2.gz VPWKRSCYOPBUSH-LLVKDONJSA-N -1 0 398.750 2.564 20 5 GFBDRM CC[C@H](CS(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1C)OC ZINC000421166802 563299286 /nfs/dbraw/zinc/29/92/86/563299286.db2.gz QUYOVZFAIVNNIN-SNVBAGLBSA-N -1 0 381.248 2.832 20 5 GFBDRM CC(C)C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000324934690 563453251 /nfs/dbraw/zinc/45/32/51/563453251.db2.gz WLDPROGDFXFZIP-JTQLQIEISA-N -1 0 378.834 2.664 20 5 GFBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000327563474 563458910 /nfs/dbraw/zinc/45/89/10/563458910.db2.gz UYBVZHKALHASAT-UHFFFAOYSA-N -1 0 386.769 2.756 20 5 GFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1Cl ZINC000327875469 563460051 /nfs/dbraw/zinc/46/00/51/563460051.db2.gz BDKRHVURZGCLDP-CQSZACIVSA-N -1 0 384.797 2.661 20 5 GFBDRM O=C([O-])[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000391771814 563525310 /nfs/dbraw/zinc/52/53/10/563525310.db2.gz PTTZPGUKDNAFEK-PWSUYJOCSA-N -1 0 376.818 2.560 20 5 GFBDRM CN([C@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000395653727 563530550 /nfs/dbraw/zinc/53/05/50/563530550.db2.gz MXZVAQMNXVAUMJ-LLVKDONJSA-N -1 0 378.834 2.758 20 5 GFBDRM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2F)ccc1[N+](=O)[O-] ZINC000431183967 563556685 /nfs/dbraw/zinc/55/66/85/563556685.db2.gz RDXYYFNBKVOPCH-UHFFFAOYSA-N -1 0 376.268 2.511 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000286495498 563562772 /nfs/dbraw/zinc/56/27/72/563562772.db2.gz QVRYDKBXZSWZFZ-JOYOIKCWSA-N -1 0 378.809 2.623 20 5 GFBDRM COC(=O)[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000433456732 563613166 /nfs/dbraw/zinc/61/31/66/563613166.db2.gz XGHXFSJCLCCCMQ-IONNQARKSA-N -1 0 397.236 2.522 20 5 GFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N(CCO)Cc1cccc(Br)c1 ZINC000436721109 563678044 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564646227 /nfs/dbraw/zinc/64/62/27/564646227.db2.gz NOGRBRTXDOZFCS-UHFFFAOYSA-N -1 0 395.213 2.917 20 5 GFBDRM COc1cc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000573721318 564651708 /nfs/dbraw/zinc/65/17/08/564651708.db2.gz XBTPLNJDHBPLOG-UHFFFAOYSA-N -1 0 377.300 2.818 20 5 GFBDRM Cc1noc(C)c1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462556775 564848499 /nfs/dbraw/zinc/84/84/99/564848499.db2.gz YJOVREQBARJNOF-UHFFFAOYSA-N -1 0 380.209 2.985 20 5 GFBDRM O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000558039041 564890141 /nfs/dbraw/zinc/89/01/41/564890141.db2.gz ATXPSTNTRZMTGP-CQSZACIVSA-N -1 0 399.172 2.665 20 5 GFBDRM CC1(C)CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000559592418 564936748 /nfs/dbraw/zinc/93/67/48/564936748.db2.gz FPBKBFPXNBMVHI-LBPRGKRZSA-N -1 0 376.818 2.512 20 5 GFBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n(-c2ccccn2)n1 ZINC000467012877 564952504 /nfs/dbraw/zinc/95/25/04/564952504.db2.gz 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CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])[C@H]1CCCO1 ZINC000833643133 605008329 /nfs/dbraw/zinc/00/83/29/605008329.db2.gz MXXJNQOOEKZMGK-UONOGXRCSA-N -1 0 382.438 2.849 20 5 GFBDRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccccc1 ZINC000833410826 605080125 /nfs/dbraw/zinc/08/01/25/605080125.db2.gz HJHJEFOXLGETRA-RZAIGCCYSA-N -1 0 397.387 2.666 20 5 GFBDRM C[C@]1(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-] ZINC000833569073 605083908 /nfs/dbraw/zinc/08/39/08/605083908.db2.gz INJQSDCLBHJYMU-DYVFJYSZSA-N -1 0 379.369 2.585 20 5 GFBDRM CC(C)n1ccnc1CN1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833513794 605182696 /nfs/dbraw/zinc/18/26/96/605182696.db2.gz SEVKJCHSVSRQKZ-UHFFFAOYSA-N -1 0 387.440 2.783 20 5 GFBDRM C[C@]1(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC[C@H]1C(=O)[O-] ZINC000833567961 605245540 /nfs/dbraw/zinc/24/55/40/605245540.db2.gz BPHWQMGIOPXFRI-XPTSAGLGSA-N -1 0 376.818 2.560 20 5 GFBDRM 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O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000594485951 565395982 /nfs/dbraw/zinc/39/59/82/565395982.db2.gz DEZAOPZDOZYLDC-STQMWFEESA-N -1 0 382.360 2.514 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C)[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000594671908 565405102 /nfs/dbraw/zinc/40/51/02/565405102.db2.gz FEZUXOIIGGNCPK-MWLCHTKSSA-N -1 0 390.845 2.678 20 5 GFBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000594771772 565419220 /nfs/dbraw/zinc/41/92/20/565419220.db2.gz FBHFYFOIGFDEEY-UHFFFAOYSA-N -1 0 385.804 2.949 20 5 GFBDRM NC(=O)c1cc(Sc2n[n-]c(=NC3CCCCC3)s2)ccc1[N+](=O)[O-] ZINC000596070236 565512067 /nfs/dbraw/zinc/51/20/67/565512067.db2.gz PCZKQXJSFRHCSK-UHFFFAOYSA-N -1 0 379.467 2.863 20 5 GFBDRM C[C@H](Cc1c(Cl)cccc1Cl)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599269230 565665839 /nfs/dbraw/zinc/66/58/39/565665839.db2.gz PJNUNHYSUBMDML-MRVPVSSYSA-N -1 0 393.252 2.545 20 5 GFBDRM CC(C)COc1ccc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1Cl 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CVIRJZSZWHUPRZ-UHFFFAOYSA-N -1 0 375.337 2.889 20 5 GFBDRM Cc1ccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])cc1 ZINC000738570455 600170891 /nfs/dbraw/zinc/17/08/91/600170891.db2.gz UNPODINSAIEFFA-ZDUSSCGKSA-N -1 0 398.824 2.703 20 5 GFBDRM Cc1c(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000738286362 600193484 /nfs/dbraw/zinc/19/34/84/600193484.db2.gz LGBUBLQVENJVGX-SNVBAGLBSA-N -1 0 386.320 2.693 20 5 GFBDRM O=C([O-])c1ccccc1C(=O)c1ccc(N2CCn3ccnc3C2)c([N+](=O)[O-])c1 ZINC000740239651 600208822 /nfs/dbraw/zinc/20/88/22/600208822.db2.gz JSAMWXRSSWETLK-UHFFFAOYSA-N -1 0 392.371 2.741 20 5 GFBDRM Cc1c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000738258853 600217570 /nfs/dbraw/zinc/21/75/70/600217570.db2.gz PVCIUVFSTRKSRC-CYBMUJFWSA-N -1 0 385.332 2.948 20 5 GFBDRM CN(CCn1cccn1)c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000737454384 600240765 /nfs/dbraw/zinc/24/07/65/600240765.db2.gz NYVIIYBDIMLSKA-UHFFFAOYSA-N -1 0 394.387 2.857 20 5 GFBDRM CC[C@@H](C(=O)[O-])N(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000736854507 600388827 /nfs/dbraw/zinc/38/88/27/600388827.db2.gz XOECPIBDUNKGRD-INIZCTEOSA-N -1 0 382.376 2.841 20 5 GFBDRM O=C([O-])[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Cc1cccc(F)c1 ZINC000431677619 600394059 /nfs/dbraw/zinc/39/40/59/600394059.db2.gz DYCMYORQDZSYLK-ZDUSSCGKSA-N -1 0 394.786 2.990 20 5 GFBDRM O=C([O-])c1cc(OS(=O)(=O)C2=Cc3ccccc3CC2)ccc1[N+](=O)[O-] ZINC000740088745 600465247 /nfs/dbraw/zinc/46/52/47/600465247.db2.gz XIJAGXFCWARSMK-UHFFFAOYSA-N -1 0 375.358 2.989 20 5 GFBDRM O=C([O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccs1 ZINC000739373839 600526279 /nfs/dbraw/zinc/52/62/79/600526279.db2.gz WZJJOYVVAHKVAA-LLVKDONJSA-N -1 0 385.195 2.975 20 5 GFBDRM CC(C)Cn1ncc2cc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cnc21 ZINC000736453479 600544302 /nfs/dbraw/zinc/54/43/02/600544302.db2.gz HCDUJHYPDFIEDV-UHFFFAOYSA-N -1 0 383.364 2.946 20 5 GFBDRM O=C([O-])c1ccc(CS(=O)(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000563072010 600586504 /nfs/dbraw/zinc/58/65/04/600586504.db2.gz IKRJPWGPPPWFQL-UHFFFAOYSA-N -1 0 392.433 2.735 20 5 GFBDRM CC[C@@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])c1ccccc1OC ZINC000736923846 600610085 /nfs/dbraw/zinc/61/00/85/600610085.db2.gz KIJSLIOIJAYMBE-CQSZACIVSA-N -1 0 387.392 2.981 20 5 GFBDRM C[C@H](NC(=O)c1ccc(NC[C@H]2OCCc3ccccc32)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655133 600611293 /nfs/dbraw/zinc/61/12/93/600611293.db2.gz BRTNHNGLMZOTCU-KPZWWZAWSA-N -1 0 399.403 2.524 20 5 GFBDRM C[C@@H]1C[C@H](c2ccccc2)CN1c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000736759104 600624889 /nfs/dbraw/zinc/62/48/89/600624889.db2.gz HLTFQYWVWHTXNJ-CJNGLKHVSA-N -1 0 383.404 2.792 20 5 GFBDRM C[C@@H](CSc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736618031 600625612 /nfs/dbraw/zinc/62/56/12/600625612.db2.gz KVYDNPGYOJOQKN-NSHDSACASA-N -1 0 388.467 2.582 20 5 GFBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H](CCO)c1ccccc1 ZINC000740094829 600709422 /nfs/dbraw/zinc/70/94/22/600709422.db2.gz IZRWDTLKGLFSGF-GFCCVEGCSA-N -1 0 375.337 2.779 20 5 GFBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H](CCO)c1ccccc1 ZINC000740094830 600709428 /nfs/dbraw/zinc/70/94/28/600709428.db2.gz IZRWDTLKGLFSGF-LBPRGKRZSA-N -1 0 375.337 2.779 20 5 GFBDRM O=C([O-])c1cc(C(=O)NC[C@@H](O)c2c(F)cccc2Cl)cc([N+](=O)[O-])c1 ZINC000738672068 600802882 /nfs/dbraw/zinc/80/28/82/600802882.db2.gz CBEYBSVKXWHHOG-CYBMUJFWSA-N -1 0 382.731 2.549 20 5 GFBDRM C[C@@H](NC(=O)c1ccc(N[C@@H](C)CCc2cccn2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827427155 600820160 /nfs/dbraw/zinc/82/01/60/600820160.db2.gz CGWLJVHKFJWXOK-QWHCGFSZSA-N -1 0 388.424 2.569 20 5 GFBDRM Cc1cccc(O[C@@H](C)CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000832972804 600820552 /nfs/dbraw/zinc/82/05/52/600820552.db2.gz IWFVUTJALQTJGA-ZDUSSCGKSA-N -1 0 387.392 2.597 20 5 GFBDRM Cc1cccc(F)c1CNc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832969671 600821964 /nfs/dbraw/zinc/82/19/64/600821964.db2.gz NXRJWCGTPGRXAS-LLVKDONJSA-N -1 0 375.356 2.857 20 5 GFBDRM CN(CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000485704439 600870243 /nfs/dbraw/zinc/87/02/43/600870243.db2.gz KTYSXEXPYNRKAT-UHFFFAOYSA-N -1 0 391.811 2.798 20 5 GFBDRM CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000830879299 600903356 /nfs/dbraw/zinc/90/33/56/600903356.db2.gz DMEBTNKSUNRQSG-UHFFFAOYSA-N -1 0 394.387 2.810 20 5 GFBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000263562148 600975469 /nfs/dbraw/zinc/97/54/69/600975469.db2.gz CONUSVVJDSPTHW-KGLIPLIRSA-N -1 0 376.409 2.856 20 5 GFBDRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000238119448 601010312 /nfs/dbraw/zinc/01/03/12/601010312.db2.gz URCJPZPJQHDGPY-UHFFFAOYSA-N -1 0 378.331 2.919 20 5 GFBDRM Cc1cc(F)c(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1[N+](=O)[O-] ZINC000738396289 601047603 /nfs/dbraw/zinc/04/76/03/601047603.db2.gz AMJZNPYFHBZDMQ-UHFFFAOYSA-N -1 0 390.295 2.820 20 5 GFBDRM COCCOCc1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1F ZINC000737814195 601062994 /nfs/dbraw/zinc/06/29/94/601062994.db2.gz KVHNAXKWKQGOLZ-UHFFFAOYSA-N -1 0 392.339 2.847 20 5 GFBDRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 ZINC000740082114 601063261 /nfs/dbraw/zinc/06/32/61/601063261.db2.gz UVVMLJKBXHAYHX-HUUCEWRRSA-N -1 0 384.344 2.806 20 5 GFBDRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000833176447 601092852 /nfs/dbraw/zinc/09/28/52/601092852.db2.gz CWRKBQDMVNREMK-DYVFJYSZSA-N -1 0 394.399 2.995 20 5 GFBDRM Cc1c(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832848421 601152678 /nfs/dbraw/zinc/15/26/78/601152678.db2.gz CIFHUGVSYWDGME-UHFFFAOYSA-N -1 0 377.284 2.682 20 5 GFBDRM O=C([O-])CNC(=O)c1ccc(N2CCSC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000833252416 601214321 /nfs/dbraw/zinc/21/43/21/601214321.db2.gz OIILLEYSVPAERO-UHFFFAOYSA-N -1 0 393.465 2.665 20 5 GFBDRM CCC1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)(C(=O)[O-])CC1 ZINC000829094056 601276669 /nfs/dbraw/zinc/27/66/69/601276669.db2.gz IRPHHDAPRKNOCX-UHFFFAOYSA-N -1 0 379.369 2.965 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1C ZINC000565343496 601385744 /nfs/dbraw/zinc/38/57/44/601385744.db2.gz WRLXXCLUVBJSAD-KRWDZBQOSA-N -1 0 390.417 2.584 20 5 GFBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000572517123 601386404 /nfs/dbraw/zinc/38/64/04/601386404.db2.gz AKYNNDBXLAWACK-KRWDZBQOSA-N -1 0 390.417 2.530 20 5 GFBDRM Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832920757 601399262 /nfs/dbraw/zinc/39/92/62/601399262.db2.gz FERIRPSNQIYITA-GFCCVEGCSA-N -1 0 378.406 2.782 20 5 GFBDRM Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000832921280 601399455 /nfs/dbraw/zinc/39/94/55/601399455.db2.gz NYCHSDMNKDCIFS-LBPRGKRZSA-N -1 0 378.406 2.949 20 5 GFBDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000830394786 601462588 /nfs/dbraw/zinc/46/25/88/601462588.db2.gz MGZAHMWYWSDADB-UHFFFAOYSA-N -1 0 385.332 2.991 20 5 GFBDRM Cc1cc(N2CCN(c3ccc(Cl)cn3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891112 601545581 /nfs/dbraw/zinc/54/55/81/601545581.db2.gz LWXHDXXBDBUHOS-UHFFFAOYSA-N -1 0 376.800 2.976 20 5 GFBDRM COC(=O)[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000831077871 601584605 /nfs/dbraw/zinc/58/46/05/601584605.db2.gz DFRXIPOMGKPJQX-CQSZACIVSA-N -1 0 392.751 2.591 20 5 GFBDRM O=C([O-])c1ccc(OCCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000833142404 601680146 /nfs/dbraw/zinc/68/01/46/601680146.db2.gz IRGPFRDHKJSPTI-UHFFFAOYSA-N -1 0 393.783 2.825 20 5 GFBDRM COC(=O)c1cc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc([N+](=O)[O-])c1 ZINC000831242399 601704272 /nfs/dbraw/zinc/70/42/72/601704272.db2.gz BJTXLCNXLBEGSJ-UHFFFAOYSA-N -1 0 377.280 2.576 20 5 GFBDRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000833033217 601729051 /nfs/dbraw/zinc/72/90/51/601729051.db2.gz TXBUSLIKIKJYNM-UHFFFAOYSA-N -1 0 388.361 2.601 20 5 GFBDRM C[C@H](CS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)C(=O)[O-] ZINC000827532501 601797049 /nfs/dbraw/zinc/79/70/49/601797049.db2.gz IIWASVUVMYONFD-CYBMUJFWSA-N -1 0 378.406 2.652 20 5 GFBDRM CCOCCN1C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C(=O)[O-])=C1C ZINC000830007811 601815528 /nfs/dbraw/zinc/81/55/28/601815528.db2.gz VTNPSMVRRGZRKH-AWEZNQCLSA-N -1 0 383.788 2.710 20 5 GFBDRM COC(=O)/C=C/c1ccc(N[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000739759865 601919482 /nfs/dbraw/zinc/91/94/82/601919482.db2.gz JICXPVAUPIZIQP-AGMJWKPSSA-N -1 0 377.397 2.971 20 5 GFBDRM CN(C)S(=O)(=O)c1ccc(Nc2ccc(NC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000830627202 601995741 /nfs/dbraw/zinc/99/57/41/601995741.db2.gz ZKQXJDOZEBSUPJ-UHFFFAOYSA-N -1 0 380.382 2.679 20 5 GFBDRM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000738999119 602022037 /nfs/dbraw/zinc/02/20/37/602022037.db2.gz FRPQGXOZTONPAD-IAQYHMDHSA-N -1 0 376.413 2.820 20 5 GFBDRM O=C([O-])c1ccc(F)c(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000833318480 602171892 /nfs/dbraw/zinc/17/18/92/602171892.db2.gz QMCZOZYHILGOAO-UHFFFAOYSA-N -1 0 375.717 2.853 20 5 GFBDRM CCCN(CC(=O)[O-])Cn1nc(-c2ccc([N+](=O)[O-])cc2)n(CC)c1=S ZINC000829475782 602186681 /nfs/dbraw/zinc/18/66/81/602186681.db2.gz AQSZAWBNDACHGT-UHFFFAOYSA-N -1 0 379.442 2.763 20 5 GFBDRM CC(C)(C(=O)[O-])[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000826105825 602216046 /nfs/dbraw/zinc/21/60/46/602216046.db2.gz KPCHFMMFORMAPB-INIZCTEOSA-N -1 0 392.433 2.866 20 5 GFBDRM O=C([O-])N1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])c2ccccc2C1 ZINC000740524295 602243112 /nfs/dbraw/zinc/24/31/12/602243112.db2.gz BQMPTXHITCBRFU-UHFFFAOYSA-N -1 0 385.376 2.891 20 5 GFBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCC(c3nnc4n3CCC4)CC2)cc1Cl ZINC000833308230 602252582 /nfs/dbraw/zinc/25/25/82/602252582.db2.gz ZTFWEFIXZLYGQA-UHFFFAOYSA-N -1 0 391.815 2.868 20 5 GFBDRM COc1ccc(C(=O)[O-])c(OS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC000832182224 602301620 /nfs/dbraw/zinc/30/16/20/602301620.db2.gz FRYUYQRWCMCXBC-UHFFFAOYSA-N -1 0 385.325 2.517 20 5 GFBDRM O=C([O-])c1ccc(S(=O)(=O)N(CC(F)(F)F)C2CCCC2)c([N+](=O)[O-])c1 ZINC000833323689 602326645 /nfs/dbraw/zinc/32/66/45/602326645.db2.gz AFOFBZGNFXDADG-UHFFFAOYSA-N -1 0 396.343 2.789 20 5 GFBDRM COc1ccccc1[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC(=O)[O-] ZINC000739962290 602460450 /nfs/dbraw/zinc/46/04/50/602460450.db2.gz JGYLXOXDVURIRL-LBPRGKRZSA-N -1 0 393.783 2.996 20 5 GFBDRM COc1cc([N+](=O)[O-])c(C(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1SC ZINC000738078827 602525935 /nfs/dbraw/zinc/52/59/35/602525935.db2.gz HHPQCAAMYRYPMQ-UHFFFAOYSA-N -1 0 383.426 2.540 20 5 GFBDRM O=C([O-])Nc1ccc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000738665829 602652545 /nfs/dbraw/zinc/65/25/45/602652545.db2.gz QQPFXWTVHFORHV-UHFFFAOYSA-N -1 0 392.755 2.707 20 5 GFBDRM CC(C)NC(=O)c1ccc(N2CCC[C@@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000738857999 602670064 /nfs/dbraw/zinc/67/00/64/602670064.db2.gz ASMFRFDQMONYBN-ZDUSSCGKSA-N -1 0 378.429 2.559 20 5 GFBDRM O=C([O-])NCc1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000740673347 602714156 /nfs/dbraw/zinc/71/41/56/602714156.db2.gz LNNGEHFPLFREMC-UHFFFAOYSA-N -1 0 381.348 2.800 20 5 GFBDRM O=C([O-])NCc1cccc(OC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000740677204 602728854 /nfs/dbraw/zinc/72/88/54/602728854.db2.gz UFHAZJXNWCNRFQ-UHFFFAOYSA-N -1 0 382.332 2.767 20 5 GFBDRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000740625856 602796158 /nfs/dbraw/zinc/79/61/58/602796158.db2.gz BUZDSSLUWDOMMD-LSDHHAIUSA-N -1 0 390.440 2.751 20 5 GFBDRM O=C([O-])N1CCC(n2cccc2C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000740446621 603040372 /nfs/dbraw/zinc/04/03/72/603040372.db2.gz DNQMXICHSCUHQF-UHFFFAOYSA-N -1 0 386.408 2.684 20 5 GFBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739044820 603073236 /nfs/dbraw/zinc/07/32/36/603073236.db2.gz FGQCRYRCRYOMMQ-GCVQQVDUSA-N -1 0 385.804 2.711 20 5 GFBDRM C[C@@H](NC(=O)[O-])c1ccc(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000739016783 603102045 /nfs/dbraw/zinc/10/20/45/603102045.db2.gz LMQJKIDUZREGRJ-GFCCVEGCSA-N -1 0 384.392 2.925 20 5 GFBDRM O=C([O-])N1CC[C@@H](COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000740722190 603164187 /nfs/dbraw/zinc/16/41/87/603164187.db2.gz OSXOFFIINOXIEX-SNVBAGLBSA-N -1 0 377.378 2.875 20 5 GFBDRM CC1CCN(c2ccc(C(=O)N(C)CCCNC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000739106420 603185939 /nfs/dbraw/zinc/18/59/39/603185939.db2.gz DPANCGNCFPHWOR-UHFFFAOYSA-N -1 0 378.429 2.561 20 5 GFBDRM 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ZINC000838445756 661045261 /nfs/dbraw/zinc/04/52/61/661045261.db2.gz NIGTVCFBKPHWHJ-UHFFFAOYSA-N -1 0 396.197 2.953 20 5 GFBDRM C/C(=C/C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl)C(C)(C)C ZINC000133523387 654965963 /nfs/dbraw/zinc/96/59/63/654965963.db2.gz KDKWQCDUZLXCLM-YVMONPNESA-N -1 0 375.834 2.628 20 5 GFBDRM O=C([N-]S(=O)(=O)C1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000151154701 655048487 /nfs/dbraw/zinc/04/84/87/655048487.db2.gz UPLBWYRZFSPLOX-UHFFFAOYSA-N -1 0 381.435 2.721 20 5 GFBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Br)nc1 ZINC000152655904 655060706 /nfs/dbraw/zinc/06/07/06/655060706.db2.gz BQVCVCDJKVJKTQ-UHFFFAOYSA-N -1 0 376.163 2.692 20 5 GFBDRM O=C([N-]S(=O)(=O)C1CCCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000152793111 655061897 /nfs/dbraw/zinc/06/18/97/655061897.db2.gz MXWWFSPKILOUMI-UHFFFAOYSA-N -1 0 391.243 2.750 20 5 GFBDRM CCCCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000156600965 655094306 /nfs/dbraw/zinc/09/43/06/655094306.db2.gz 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CC[C@@H](C(=O)[O-])N(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000736850862 600398873 /nfs/dbraw/zinc/39/88/73/600398873.db2.gz LZKVODBJRLTNPS-HNNXBMFYSA-N -1 0 378.406 2.962 20 5 GFBDRM CC[C@@H](C(=O)[O-])N(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000736851235 600399886 /nfs/dbraw/zinc/39/98/86/600399886.db2.gz NGCYBRHAYQHQKJ-AWEZNQCLSA-N -1 0 378.406 2.962 20 5 GFBDRM C[C@H](NC(=O)c1ccc(N(C)[C@H]2CCc3ccccc3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736658003 600435676 /nfs/dbraw/zinc/43/56/76/600435676.db2.gz XSMJGTQEHDSCGQ-GUYCJALGSA-N -1 0 397.431 2.791 20 5 GFBDRM O=C([O-])CCCOc1ccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000739685898 600483660 /nfs/dbraw/zinc/48/36/60/600483660.db2.gz FONJJMUXWOLIPS-UHFFFAOYSA-N -1 0 376.340 2.908 20 5 GFBDRM O=C([O-])c1cc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc([N+](=O)[O-])c1 ZINC000739357184 600541784 /nfs/dbraw/zinc/54/17/84/600541784.db2.gz YKVGDRUXCPSRPM-UHFFFAOYSA-N -1 0 384.304 2.795 20 5 GFBDRM CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737310890 600543442 /nfs/dbraw/zinc/54/34/42/600543442.db2.gz GDRYOLPIZZMHOF-UHFFFAOYSA-N -1 0 383.360 2.918 20 5 GFBDRM O=C([O-])c1cc(NC(=O)Cc2csc(-c3ccccn3)n2)cc([N+](=O)[O-])c1 ZINC000739350815 600543961 /nfs/dbraw/zinc/54/39/61/600543961.db2.gz ITEYBXYOAGBUFI-UHFFFAOYSA-N -1 0 384.373 2.993 20 5 GFBDRM O=C([O-])CCNC(=O)c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000739740788 600583784 /nfs/dbraw/zinc/58/37/84/600583784.db2.gz CBCZYLYLKWNKDV-UHFFFAOYSA-N -1 0 391.767 2.705 20 5 GFBDRM CC(C)(C(=O)OCC(=O)Nc1ccsc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000736231366 600621476 /nfs/dbraw/zinc/62/14/76/600621476.db2.gz BTJFGLHVECTJSB-UHFFFAOYSA-N -1 0 392.389 2.814 20 5 GFBDRM O=C([O-])c1cc(Cl)cc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000739249407 600622414 /nfs/dbraw/zinc/62/24/14/600622414.db2.gz SSABTGGMLLJFHW-UHFFFAOYSA-N -1 0 391.767 2.705 20 5 GFBDRM Cc1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC000547875083 600633061 /nfs/dbraw/zinc/63/30/61/600633061.db2.gz USAARPMTSVMBGC-OAHLLOKOSA-N -1 0 378.406 2.788 20 5 GFBDRM COC(=O)c1cc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1C(=O)[O-] ZINC000737667022 600682935 /nfs/dbraw/zinc/68/29/35/600682935.db2.gz ZFAFYHRVLGOYPB-UHFFFAOYSA-N -1 0 398.331 2.742 20 5 GFBDRM Cc1cc([C@@](C)(O)CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)o1 ZINC000832871162 600815340 /nfs/dbraw/zinc/81/53/40/600815340.db2.gz PHXNKHYJPUFODL-INIZCTEOSA-N -1 0 379.325 2.731 20 5 GFBDRM Cc1cc([C@](C)(O)CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)o1 ZINC000832871163 600815341 /nfs/dbraw/zinc/81/53/41/600815341.db2.gz PHXNKHYJPUFODL-MRXNPFEDSA-N -1 0 379.325 2.731 20 5 GFBDRM C[C@@H](CCc1cccn1C)Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000827427156 600819925 /nfs/dbraw/zinc/81/99/25/600819925.db2.gz CGWLJVHKFJWXOK-STQMWFEESA-N -1 0 388.424 2.569 20 5 GFBDRM COc1cc(C(=O)[O-])c(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c(OC)c1OC ZINC000737849570 600998055 /nfs/dbraw/zinc/99/80/55/600998055.db2.gz NREISABAMDFSFX-UHFFFAOYSA-N -1 0 390.348 2.880 20 5 GFBDRM COc1cc(C(=O)[O-])cc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1OC ZINC000831891602 601080852 /nfs/dbraw/zinc/08/08/52/601080852.db2.gz FFHZHOZNKDQMKA-UHFFFAOYSA-N -1 0 389.364 2.974 20 5 GFBDRM Cc1nn(CCC(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000598660666 601081992 /nfs/dbraw/zinc/08/19/92/601081992.db2.gz CSEJKCFADOQKDG-CVEARBPZSA-N -1 0 392.456 2.680 20 5 GFBDRM C[C@@H](C(=O)[O-])[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000547906890 601128188 /nfs/dbraw/zinc/12/81/88/601128188.db2.gz XFABDVBGMZACLD-BMIGLBTASA-N -1 0 398.824 2.989 20 5 GFBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000833113720 601190786 /nfs/dbraw/zinc/19/07/86/601190786.db2.gz RKMGSTIHWIZILC-UWVGGRQHSA-N -1 0 384.772 2.621 20 5 GFBDRM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000828151651 601200641 /nfs/dbraw/zinc/20/06/41/601200641.db2.gz XOMSJHKYDNNFKU-ZBFHGGJFSA-N -1 0 397.431 2.867 20 5 GFBDRM COC(=O)c1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000831235642 601295534 /nfs/dbraw/zinc/29/55/34/601295534.db2.gz BEYNSMFUQADNRY-BDJLRTHQSA-N -1 0 386.360 2.573 20 5 GFBDRM O=C([O-])C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000013343117 601394516 /nfs/dbraw/zinc/39/45/16/601394516.db2.gz ZQAJXAFBSPWCBX-LBPRGKRZSA-N -1 0 384.797 2.743 20 5 GFBDRM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000832921130 601399293 /nfs/dbraw/zinc/39/92/93/601399293.db2.gz MVFVKJUELORPCM-SNVBAGLBSA-N -1 0 382.369 2.780 20 5 GFBDRM CC(C)(NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000826630354 601405801 /nfs/dbraw/zinc/40/58/01/601405801.db2.gz BGOBYQMNKXAQFL-UHFFFAOYSA-N -1 0 382.369 2.646 20 5 GFBDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000832852243 601405941 /nfs/dbraw/zinc/40/59/41/601405941.db2.gz UCARUIBMRLLTPC-UHFFFAOYSA-N -1 0 378.406 2.815 20 5 GFBDRM Cc1ccc([N+](=O)[O-])cc1OCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000832958567 601406887 /nfs/dbraw/zinc/40/68/87/601406887.db2.gz LKNDFFKNNLRCSV-QGZVFWFLSA-N -1 0 397.387 2.575 20 5 GFBDRM C/C(=C/COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C)C(=O)[O-] ZINC000825769102 601413392 /nfs/dbraw/zinc/41/33/92/601413392.db2.gz HUGSPJOJYLTXCB-APFBBLRHSA-N -1 0 398.799 2.577 20 5 GFBDRM O=C([O-])c1cccc(NC(=O)COC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000833112579 601474681 /nfs/dbraw/zinc/47/46/81/601474681.db2.gz YGNQCJMAHRSZJQ-UHFFFAOYSA-N -1 0 378.724 2.742 20 5 GFBDRM Cc1ccc2cccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c2n1 ZINC000832962220 601563367 /nfs/dbraw/zinc/56/33/67/601563367.db2.gz XDQCTGCTECHRAZ-UHFFFAOYSA-N -1 0 388.357 2.917 20 5 GFBDRM COC(=O)[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000831077870 601584562 /nfs/dbraw/zinc/58/45/62/601584562.db2.gz DFRXIPOMGKPJQX-AWEZNQCLSA-N -1 0 392.751 2.591 20 5 GFBDRM O=C([O-])[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000833122095 601587367 /nfs/dbraw/zinc/58/73/67/601587367.db2.gz DSFNKNROIOOMQO-INIZCTEOSA-N -1 0 388.767 2.540 20 5 GFBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000832958261 601588953 /nfs/dbraw/zinc/58/89/53/601588953.db2.gz REBYXXCBJOOOBK-CQSZACIVSA-N -1 0 387.392 2.982 20 5 GFBDRM O=C([O-])[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000833169098 601596991 /nfs/dbraw/zinc/59/69/91/601596991.db2.gz CNQUTDWIVIBNMJ-CYBMUJFWSA-N -1 0 376.818 2.560 20 5 GFBDRM O=C([O-])[C@@]1(F)CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000262848019 601716634 /nfs/dbraw/zinc/71/66/34/601716634.db2.gz UUYKYONMJRPTMM-LJQANCHMSA-N -1 0 387.367 2.846 20 5 GFBDRM O=C([O-])C[C@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000262708454 601738129 /nfs/dbraw/zinc/73/81/29/601738129.db2.gz DUTCVPWVIAMLFZ-HNNXBMFYSA-N -1 0 385.376 2.654 20 5 GFBDRM O=C([O-])c1cc(F)c(F)cc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000833299449 601830728 /nfs/dbraw/zinc/83/07/28/601830728.db2.gz QSVNTPLEQNQFKO-AWEZNQCLSA-N -1 0 377.303 2.789 20 5 GFBDRM COc1cc(OCC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000262223717 601898855 /nfs/dbraw/zinc/89/88/55/601898855.db2.gz UGEIOUXFYPUWGH-KGLIPLIRSA-N -1 0 380.397 2.522 20 5 GFBDRM COC(=O)c1cc(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000831236405 601905805 /nfs/dbraw/zinc/90/58/05/601905805.db2.gz OYFFGXMFKXJLGW-HUUCEWRRSA-N -1 0 378.381 2.535 20 5 GFBDRM COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000831107965 601905943 /nfs/dbraw/zinc/90/59/43/601905943.db2.gz PNXGLQOCXVPVSB-GJZGRUSLSA-N -1 0 378.381 2.535 20 5 GFBDRM Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000832855877 601911706 /nfs/dbraw/zinc/91/17/06/601911706.db2.gz GKOWHFPHDIEQCO-STQMWFEESA-N -1 0 379.369 2.965 20 5 GFBDRM COc1ccc(CSCC(=O)Nc2ccc(NC(=O)[O-])nc2)cc1[N+](=O)[O-] ZINC000739901785 601993347 /nfs/dbraw/zinc/99/33/47/601993347.db2.gz GZZQIKVPHGOQNA-UHFFFAOYSA-N -1 0 392.393 2.960 20 5 GFBDRM COc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000832157022 602003383 /nfs/dbraw/zinc/00/33/83/602003383.db2.gz JUQHQFQPJOBUTF-OAHLLOKOSA-N -1 0 398.293 2.919 20 5 GFBDRM CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830495795 602020100 /nfs/dbraw/zinc/02/01/00/602020100.db2.gz LDCPFYKDRPUYTF-INIZCTEOSA-N -1 0 382.294 2.839 20 5 GFBDRM COc1ccccc1[C@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])NC(=O)[O-] ZINC000739962868 602101467 /nfs/dbraw/zinc/10/14/67/602101467.db2.gz LOWMXXZVKRSQFM-ZDUSSCGKSA-N -1 0 395.318 2.620 20 5 GFBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C(=O)[O-])Cc2ccccc21 ZINC000740096583 602246845 /nfs/dbraw/zinc/24/68/45/602246845.db2.gz GOWWGWNXBUYDIJ-UHFFFAOYSA-N -1 0 391.405 2.592 20 5 GFBDRM CCc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000486350956 602257036 /nfs/dbraw/zinc/25/70/36/602257036.db2.gz HDAOERJJGOIECY-UHFFFAOYSA-N -1 0 392.389 2.511 20 5 GFBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000739715852 602288370 /nfs/dbraw/zinc/28/83/70/602288370.db2.gz RPENEDAVKZDSJP-UHFFFAOYSA-N -1 0 388.380 2.905 20 5 GFBDRM C[C@H]1CCCN(c2ccc(C(=O)NC(C)(C)CNC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000739111340 602310203 /nfs/dbraw/zinc/31/02/03/602310203.db2.gz CHHIHOTUZRWXAF-LBPRGKRZSA-N -1 0 378.429 2.607 20 5 GFBDRM Cc1cc(N2CCN(c3ncnc4sccc43)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566680720 602312443 /nfs/dbraw/zinc/31/24/43/602312443.db2.gz AAFJDTDVVJRNAP-UHFFFAOYSA-N -1 0 399.432 2.933 20 5 GFBDRM Cc1cc(NCCCS(=O)(=O)c2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897373 602315180 /nfs/dbraw/zinc/31/51/80/602315180.db2.gz QFIUHSWAKMMIJV-UHFFFAOYSA-N -1 0 378.406 2.877 20 5 GFBDRM Cc1cc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832888952 602315888 /nfs/dbraw/zinc/31/58/88/602315888.db2.gz KHHUHOZHFIYSMY-LBPRGKRZSA-N -1 0 379.413 2.952 20 5 GFBDRM O=C([O-])c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000833320002 602376425 /nfs/dbraw/zinc/37/64/25/602376425.db2.gz UPJQEBNYFJIMEK-UHFFFAOYSA-N -1 0 388.355 2.786 20 5 GFBDRM O=C([O-])N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000740400291 602473941 /nfs/dbraw/zinc/47/39/41/602473941.db2.gz QCKBXNDNNOAOHY-AWEZNQCLSA-N -1 0 384.392 2.689 20 5 GFBDRM CN(C(=O)[O-])C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000737933290 602522079 /nfs/dbraw/zinc/52/20/79/602522079.db2.gz OVRUODBFTHVAQC-UHFFFAOYSA-N -1 0 390.440 2.800 20 5 GFBDRM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738632166 602539674 /nfs/dbraw/zinc/53/96/74/602539674.db2.gz ZTMDAICCLLFPTM-WDEREUQCSA-N -1 0 384.820 2.507 20 5 GFBDRM O=C([O-])N1CCc2ccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2C1 ZINC000740468596 602543711 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ZINC000029432833 654577593 /nfs/dbraw/zinc/57/75/93/654577593.db2.gz IRGFLMGKTWHBMB-UHFFFAOYSA-N -1 0 383.813 2.765 20 5 GFBDRM C[C@H](CCC[C@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837289251 660982590 /nfs/dbraw/zinc/98/25/90/660982590.db2.gz XPTGVJAWTJRMLU-BDAKNGLRSA-N -1 0 396.824 2.945 20 5 GFBDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000127234204 654826793 /nfs/dbraw/zinc/82/67/93/654826793.db2.gz WZMPPVOGZQPNCI-UHFFFAOYSA-N -1 0 393.259 2.914 20 5 GFBDRM Cc1cccc2[nH]c(C[N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])nc21 ZINC000129952496 654878877 /nfs/dbraw/zinc/87/88/77/654878877.db2.gz ZFTHUELPFIXTIK-UHFFFAOYSA-N -1 0 380.813 2.911 20 5 GFBDRM CC(C)n1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cn1 ZINC000130321450 654887089 /nfs/dbraw/zinc/88/70/89/654887089.db2.gz MOURKWKBTGKJNJ-UHFFFAOYSA-N -1 0 389.231 2.936 20 5 GFBDRM COC(=O)c1sc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1C ZINC000066250255 654897965 /nfs/dbraw/zinc/89/79/65/654897965.db2.gz AGQIQQUDASLYEC-UHFFFAOYSA-N -1 0 391.814 2.601 20 5 GFBDRM O=C([N-]S(=O)(=O)C1CCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151197132 655048745 /nfs/dbraw/zinc/04/87/45/655048745.db2.gz UHKPRQKOADKBBH-UHFFFAOYSA-N -1 0 381.435 2.721 20 5 GFBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1cccn1C ZINC000839065679 661070691 /nfs/dbraw/zinc/07/06/91/661070691.db2.gz RAPGXONDVOHAGD-UHFFFAOYSA-N -1 0 383.451 2.554 20 5 GFBDRM C[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000112149367 655183150 /nfs/dbraw/zinc/18/31/50/655183150.db2.gz ZWAZIASZBGIOEW-NSHDSACASA-N -1 0 382.825 2.932 20 5 GFBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C1(c2cccc(Cl)c2)CC1 ZINC000112160853 655184199 /nfs/dbraw/zinc/18/41/99/655184199.db2.gz MGTJXGRBLCWAAZ-UHFFFAOYSA-N -1 0 386.838 2.846 20 5 GFBDRM O=C(Cc1ccc2c(c1)CCCC2)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160949 655184419 /nfs/dbraw/zinc/18/44/19/655184419.db2.gz XOOLNPXQRWVBJZ-UHFFFAOYSA-N -1 0 380.447 2.583 20 5 GFBDRM C[C@@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000275102586 655216882 /nfs/dbraw/zinc/21/68/82/655216882.db2.gz LUERIJZBZBEFQJ-QWRGUYRKSA-N -1 0 390.845 2.760 20 5 GFBDRM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1Cl ZINC000119070572 655288739 /nfs/dbraw/zinc/28/87/39/655288739.db2.gz KUIGWDAGSZCBRR-UHFFFAOYSA-N -1 0 389.842 2.779 20 5 GFBDRM Cc1sc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1[N+](=O)[O-] ZINC000119209438 655293048 /nfs/dbraw/zinc/29/30/48/655293048.db2.gz XPCZZPCPTMZOBX-HSZRJFAPSA-N -1 0 388.492 2.952 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)c(Br)c1 ZINC000277047315 655300098 /nfs/dbraw/zinc/30/00/98/655300098.db2.gz MYGJARVYULKBEX-UHFFFAOYSA-N -1 0 395.128 2.536 20 5 GFBDRM O=C(CCc1ccc(F)cc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119969633 655323331 /nfs/dbraw/zinc/32/33/31/655323331.db2.gz OMXRQGLBUDRKCE-UHFFFAOYSA-N -1 0 386.788 2.825 20 5 GFBDRM Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1C(=O)NC(C)C 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BEDPNPGKZURHQX-UHFFFAOYSA-N -1 0 384.797 2.684 20 5 GFBDRM CC(C)C[C@H](C)OCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000756217102 655896988 /nfs/dbraw/zinc/89/69/88/655896988.db2.gz RCOHHQMVKIMMMX-NSHDSACASA-N -1 0 392.861 2.894 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccsc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000766457091 656171955 /nfs/dbraw/zinc/17/19/55/656171955.db2.gz SRQJJOBCJUZIKY-UHFFFAOYSA-N -1 0 391.224 2.538 20 5 GFBDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2c(C)cccc2Cl)cc1[N+](=O)[O-] ZINC000767568453 656209496 /nfs/dbraw/zinc/20/94/96/656209496.db2.gz BEVSYDSKPZJJGD-UHFFFAOYSA-N -1 0 384.797 2.684 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(Br)cc2F)c(F)c1 ZINC000769673150 656285561 /nfs/dbraw/zinc/28/55/61/656285561.db2.gz WKXRSBNXCBCOMC-UHFFFAOYSA-N -1 0 394.153 2.831 20 5 GFBDRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCCC1 ZINC000770750067 656329291 /nfs/dbraw/zinc/32/92/91/656329291.db2.gz UFKBURYKBQZADF-UHFFFAOYSA-N -1 0 391.243 2.743 20 5 GFBDRM 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ZINC000777294449 656817149 /nfs/dbraw/zinc/81/71/49/656817149.db2.gz KYVJWIOCMVVCER-UHFFFAOYSA-N -1 0 375.617 2.555 20 5 GFBDRM Cc1cccc(CS(=O)(=O)[N-]C(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000778828926 656892579 /nfs/dbraw/zinc/89/25/79/656892579.db2.gz IXNKLWBLMDWCGW-UHFFFAOYSA-N -1 0 380.447 2.642 20 5 GFBDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781803283 657081308 /nfs/dbraw/zinc/08/13/08/657081308.db2.gz CKZIOSNLSGXDSH-SECBINFHSA-N -1 0 380.369 2.692 20 5 GFBDRM CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000787320444 657542682 /nfs/dbraw/zinc/54/26/82/657542682.db2.gz UZVPTRSSFUVNIV-CQSZACIVSA-N -1 0 376.818 2.575 20 5 GFBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1[N+](=O)[O-] ZINC000788161959 657662570 /nfs/dbraw/zinc/66/25/70/657662570.db2.gz AZIPHWMRBHJNQR-UHFFFAOYSA-N -1 0 390.751 2.954 20 5 GFBDRM CS[C@H](C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000789475705 657855321 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RLFHCPLVYSRJBR-UHFFFAOYSA-N -1 0 376.749 2.902 20 5 GFBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000795347217 658809318 /nfs/dbraw/zinc/80/93/18/658809318.db2.gz RWASZPYJKGMZCT-UHFFFAOYSA-N -1 0 388.199 2.562 20 5 GFBDRM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1O ZINC000795384131 658813197 /nfs/dbraw/zinc/81/31/97/658813197.db2.gz OFTXJKAMVYDEDW-UHFFFAOYSA-N -1 0 392.798 2.603 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)c1 ZINC000795957460 658876699 /nfs/dbraw/zinc/87/66/99/658876699.db2.gz SHHXHVBKNYTLNU-NSHDSACASA-N -1 0 391.852 2.683 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000796610153 658927467 /nfs/dbraw/zinc/92/74/67/658927467.db2.gz FBDBAJCSQWUIKH-QMMMGPOBSA-N -1 0 382.772 2.797 20 5 GFBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC000797256161 659005790 /nfs/dbraw/zinc/00/57/90/659005790.db2.gz JCFKGZRHWQFIFY-NSHDSACASA-N -1 0 382.360 2.562 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC(F)(F)C2)cc([N+](=O)[O-])c1C ZINC000800383393 659305587 /nfs/dbraw/zinc/30/55/87/659305587.db2.gz SQKJKGOYULZOLB-NSHDSACASA-N -1 0 376.381 2.842 20 5 GFBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000802848312 659516715 /nfs/dbraw/zinc/51/67/15/659516715.db2.gz FQWQOXRCJOHYPK-BAQGIRSFSA-N -1 0 384.772 2.906 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C12CC(C(F)(F)F)(C1)C2 ZINC000810515806 659975768 /nfs/dbraw/zinc/97/57/68/659975768.db2.gz VIALTDQULULPAZ-UHFFFAOYSA-N -1 0 398.746 2.786 20 5 GFBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C12CC(C(F)(F)F)(C1)C2 ZINC000810554170 659977416 /nfs/dbraw/zinc/97/74/16/659977416.db2.gz OLHAYRWCFHNFCJ-UHFFFAOYSA-N -1 0 398.746 2.786 20 5 GFBDRM O=C(CCCC1CC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000813072455 660042146 /nfs/dbraw/zinc/04/21/46/660042146.db2.gz HCSRUHSIJKHJAQ-UHFFFAOYSA-N -1 0 391.243 2.743 20 5 GFBDRM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1Cl ZINC000814218130 660074847 /nfs/dbraw/zinc/07/48/47/660074847.db2.gz SWYPLGFTYCNUAE-UHFFFAOYSA-N -1 0 388.760 2.975 20 5 GFBDRM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000815022326 660102924 /nfs/dbraw/zinc/10/29/24/660102924.db2.gz OHWWAWCJQOPBJR-LLVKDONJSA-N -1 0 392.792 2.955 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C2SCCCS2)cc1[N+](=O)[O-] ZINC000842282352 661331615 /nfs/dbraw/zinc/33/16/15/661331615.db2.gz UQHUXDGAGWSHFV-UHFFFAOYSA-N -1 0 396.899 2.558 20 5 GFBDRM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000842450333 661339961 /nfs/dbraw/zinc/33/99/61/661339961.db2.gz AIKOCDVSJDMJOP-BDAKNGLRSA-N -1 0 380.344 2.855 20 5 GFBDRM CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842450900 661340124 /nfs/dbraw/zinc/34/01/24/661340124.db2.gz FESSHTCCAFCORU-UHFFFAOYSA-N -1 0 395.142 2.612 20 5 GFBDRM C[C@@]1(CCNS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1(Cl)Cl ZINC000844888459 661446277 /nfs/dbraw/zinc/44/62/77/661446277.db2.gz FMBIATDPHMMUOS-GFCCVEGCSA-N -1 0 397.236 2.545 20 5 GFBDRM O=C(CC[C@H]1CC1(Cl)Cl)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886461 661795206 /nfs/dbraw/zinc/79/52/06/661795206.db2.gz WMALHZKLHLOHKM-ZETCQYMHSA-N -1 0 385.200 2.513 20 5 GFBDRM CC1(C)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000850894601 661795462 /nfs/dbraw/zinc/79/54/62/661795462.db2.gz GXEKNXXAWUCOKK-SECBINFHSA-N -1 0 391.243 2.598 20 5 GFBDRM O=C([O-])C12CCC(CC1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000864189924 662359596 /nfs/dbraw/zinc/35/95/96/662359596.db2.gz UEKBETOPFNLYPG-UHFFFAOYSA-N -1 0 387.161 2.718 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000916187000 664454157 /nfs/dbraw/zinc/45/41/57/664454157.db2.gz BYFNEHVIQYVWIA-UHFFFAOYSA-N -1 0 390.751 2.954 20 5 GFBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc2c(s1)CCCC2 ZINC000917445302 664483621 /nfs/dbraw/zinc/48/36/21/664483621.db2.gz DSNNRFDVXCNREI-UHFFFAOYSA-N -1 0 384.410 2.793 20 5 GFBDRM CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000055651647 551174387 /nfs/dbraw/zinc/17/43/87/551174387.db2.gz UOTBUQRHMVWTJJ-UHFFFAOYSA-N -1 0 383.813 2.717 20 5 GFBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nnc(C(F)(F)F)s2)c1C ZINC000121195573 551229180 /nfs/dbraw/zinc/22/91/80/551229180.db2.gz CZKMUWQZJDATSX-UHFFFAOYSA-N -1 0 382.345 2.883 20 5 GFBDRM O=C(NCc1cn2cc(Br)ccc2n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000121854084 551244448 /nfs/dbraw/zinc/24/44/48/551244448.db2.gz PULVACCYMLXTLO-UHFFFAOYSA-N -1 0 391.181 2.641 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(-c2cccnc2)[nH]n1 ZINC000151430955 551413420 /nfs/dbraw/zinc/41/34/20/551413420.db2.gz BBSGLMDWKROIBB-UHFFFAOYSA-N -1 0 379.785 2.834 20 5 GFBDRM Cc1sc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)cc1[N+](=O)[O-] ZINC000156971947 551531503 /nfs/dbraw/zinc/53/15/03/551531503.db2.gz CMNHTAFBYWQPTJ-UHFFFAOYSA-N -1 0 385.398 2.789 20 5 GFBDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ncc([N+](=O)[O-])cc1Br ZINC000160603209 551583344 /nfs/dbraw/zinc/58/33/44/551583344.db2.gz OQUDFTGMHOMPCH-UHFFFAOYSA-N -1 0 396.226 2.687 20 5 GFBDRM Cc1cc(I)cnc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164295046 551625320 /nfs/dbraw/zinc/62/53/20/551625320.db2.gz YKNBBNMGXHLFGM-UHFFFAOYSA-N -1 0 399.144 2.861 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1nc2c(s1)COCC2 ZINC000172674894 551684921 /nfs/dbraw/zinc/68/49/21/551684921.db2.gz UOGOFZQXLUNLJI-UHFFFAOYSA-N -1 0 375.815 2.578 20 5 GFBDRM Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccncc3)ns2)cc1[N+](=O)[O-] ZINC000182562132 552287615 /nfs/dbraw/zinc/28/76/15/552287615.db2.gz JRSFZMBVDIAJIM-UHFFFAOYSA-N -1 0 377.407 2.618 20 5 GFBDRM O=C(N[C@H](CO)c1cccc(Br)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183597756 552313854 /nfs/dbraw/zinc/31/38/54/552313854.db2.gz YHTGGTACMBKFEW-GFCCVEGCSA-N -1 0 381.182 2.526 20 5 GFBDRM O=C([O-])[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000190746648 552507639 /nfs/dbraw/zinc/50/76/39/552507639.db2.gz GQVRWNYLYZYTPP-OAHLLOKOSA-N -1 0 393.193 2.842 20 5 GFBDRM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1I ZINC000192687790 552971562 /nfs/dbraw/zinc/97/15/62/552971562.db2.gz OCSFDYSQDOXCBW-UHFFFAOYSA-N -1 0 399.144 2.861 20 5 GFBDRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000262231453 553167403 /nfs/dbraw/zinc/16/74/03/553167403.db2.gz MIEXHNNFJIPAMB-BJOHPYRUSA-N -1 0 383.198 2.684 20 5 GFBDRM O=C(N=c1cc(C(F)(F)F)[n-][nH]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000448516212 563897716 /nfs/dbraw/zinc/89/77/16/563897716.db2.gz VPWFOSFHOISZKA-UHFFFAOYSA-N -1 0 379.092 2.773 20 5 GFBDRM Cn1cc([C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(F)(F)F)cn1 ZINC000278926337 563276988 /nfs/dbraw/zinc/27/69/88/563276988.db2.gz VPWKRSCYOPBUSH-NSHDSACASA-N -1 0 398.750 2.564 20 5 GFBDRM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000424216391 563374867 /nfs/dbraw/zinc/37/48/67/563374867.db2.gz SAGIQPUFVWYPDQ-RXMQYKEDSA-N -1 0 377.138 2.586 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000325538685 563453766 /nfs/dbraw/zinc/45/37/66/563453766.db2.gz BAJUPEQHPBVGAQ-AWEZNQCLSA-N -1 0 376.818 2.575 20 5 GFBDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000326014577 563454679 /nfs/dbraw/zinc/45/46/79/563454679.db2.gz NCLCZKKGVUHDRX-UHFFFAOYSA-N -1 0 376.749 2.902 20 5 GFBDRM CN(CCC(=O)[O-])C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000428076059 563482483 /nfs/dbraw/zinc/48/24/83/563482483.db2.gz SBNRXAVKZSDWGM-UHFFFAOYSA-N -1 0 387.179 2.634 20 5 GFBDRM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000390711512 563523463 /nfs/dbraw/zinc/52/34/63/563523463.db2.gz ICRJSJSMCSODDN-UHFFFAOYSA-N -1 0 376.799 2.897 20 5 GFBDRM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000435220721 563646332 /nfs/dbraw/zinc/64/63/32/563646332.db2.gz RSKAYFLYTXOZHZ-ZETCQYMHSA-N -1 0 399.252 2.910 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000439100931 563717000 /nfs/dbraw/zinc/71/70/00/563717000.db2.gz WWXMKCVSIGNDNO-UISBYWKRSA-N -1 0 381.237 2.747 20 5 GFBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(SC)c2)c([N+](=O)[O-])n1 ZINC000414394132 563733114 /nfs/dbraw/zinc/73/31/14/563733114.db2.gz HUFBNYIRMVRIQZ-UHFFFAOYSA-N -1 0 376.847 2.987 20 5 GFBDRM CN(C)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000414455584 563739664 /nfs/dbraw/zinc/73/96/64/563739664.db2.gz HSXRHOQMNRTAFQ-UHFFFAOYSA-N -1 0 376.847 2.567 20 5 GFBDRM CCn1cc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)c([N+](=O)[O-])n1 ZINC000443414969 563804763 /nfs/dbraw/zinc/80/47/63/563804763.db2.gz DOQDXHPNAWTSMZ-UHFFFAOYSA-N -1 0 379.423 2.736 20 5 GFBDRM Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(Br)cc3[O-])n2)n1C ZINC000445607289 563850869 /nfs/dbraw/zinc/85/08/69/563850869.db2.gz JYFXSWWPNUJYIC-UHFFFAOYSA-N -1 0 380.158 2.822 20 5 GFBDRM Cn1cc([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cn1 ZINC000446949650 563870808 /nfs/dbraw/zinc/87/08/08/563870808.db2.gz ITETYNCEGNERCX-NSHDSACASA-N -1 0 398.750 2.564 20 5 GFBDRM CS(=O)(=O)Nc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000505746992 564189145 /nfs/dbraw/zinc/18/91/45/564189145.db2.gz DREKPRRLXBNRBV-UHFFFAOYSA-N -1 0 385.785 2.578 20 5 GFBDRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000539856533 564230675 /nfs/dbraw/zinc/23/06/75/564230675.db2.gz WNZXKDMLWKGFCL-UHFFFAOYSA-N -1 0 385.785 2.621 20 5 GFBDRM COC(=O)c1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000508066660 564251436 /nfs/dbraw/zinc/25/14/36/564251436.db2.gz DNRVJQADFVJULT-UHFFFAOYSA-N -1 0 385.785 2.539 20 5 GFBDRM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000451095657 564273742 /nfs/dbraw/zinc/27/37/42/564273742.db2.gz LZUSSWSCROOZLE-UHFFFAOYSA-N -1 0 385.364 2.736 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C2CCOCC2)[nH]n1 ZINC000474428350 564278155 /nfs/dbraw/zinc/27/81/55/564278155.db2.gz SRKWFKIECUCKRD-UHFFFAOYSA-N -1 0 386.817 2.666 20 5 GFBDRM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000542236494 564305787 /nfs/dbraw/zinc/30/57/87/564305787.db2.gz HQEUUFMWFGZIEM-UHFFFAOYSA-N -1 0 386.769 2.541 20 5 GFBDRM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)cc2o1 ZINC000475838903 564322094 /nfs/dbraw/zinc/32/20/94/564322094.db2.gz YRFFSEBCMUSRGQ-UHFFFAOYSA-N -1 0 387.732 2.623 20 5 GFBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2noc(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000567996018 564399878 /nfs/dbraw/zinc/39/98/78/564399878.db2.gz RQELRESXUFIFGE-UHFFFAOYSA-N -1 0 380.407 2.546 20 5 GFBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)Cc1ccsc1 ZINC000544929945 564404462 /nfs/dbraw/zinc/40/44/62/564404462.db2.gz SXVFILJFCSVZFL-SECBINFHSA-N -1 0 384.435 2.572 20 5 GFBDRM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1F ZINC000478700167 564412074 /nfs/dbraw/zinc/41/20/74/564412074.db2.gz SQGAWRKZLDWLPK-UHFFFAOYSA-N -1 0 392.361 2.830 20 5 GFBDRM CCOc1ccccc1N=c1[n-]nc(Sc2ncc([N+](=O)[O-])cn2)s1 ZINC000546899299 564473553 /nfs/dbraw/zinc/47/35/53/564473553.db2.gz RDOSYNWOBRVQPM-UHFFFAOYSA-N -1 0 376.423 2.952 20 5 GFBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCc2sccc21 ZINC000516283714 564499075 /nfs/dbraw/zinc/49/90/75/564499075.db2.gz DSVQAYZOHREXGS-LBPRGKRZSA-N -1 0 382.419 2.710 20 5 GFBDRM CN(CC(C)(C)C(=O)[O-])S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000547927718 564522043 /nfs/dbraw/zinc/52/20/43/564522043.db2.gz LAKUSDJISPUKAT-UHFFFAOYSA-N -1 0 385.225 2.633 20 5 GFBDRM O=C(N=c1[n-]nc(Cc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000547972899 564526447 /nfs/dbraw/zinc/52/64/47/564526447.db2.gz UHGINBJEOUKPOF-UHFFFAOYSA-N -1 0 375.797 2.760 20 5 GFBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C(N)=O ZINC000481975856 564531026 /nfs/dbraw/zinc/53/10/26/564531026.db2.gz HYKVZZKTGNVGEK-UHFFFAOYSA-N -1 0 383.813 2.765 20 5 GFBDRM O=C([O-])C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000548242731 564542305 /nfs/dbraw/zinc/54/23/05/564542305.db2.gz IGGFSHMONBNHNZ-AWEZNQCLSA-N -1 0 384.797 2.743 20 5 GFBDRM O=C(N=c1ccc(C(F)(F)F)n[n-]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000484141078 564582256 /nfs/dbraw/zinc/58/22/56/564582256.db2.gz HEOVWZPPHHCMTA-UHFFFAOYSA-N -1 0 391.103 2.840 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccn(CC(F)F)n2)cc1[N+](=O)[O-] ZINC000484619860 564592597 /nfs/dbraw/zinc/59/25/97/564592597.db2.gz PQBPESHVJQBRFE-UHFFFAOYSA-N -1 0 380.760 2.819 20 5 GFBDRM CCS[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000572650203 564604500 /nfs/dbraw/zinc/60/45/00/564604500.db2.gz UTPGSCPFCHSEBD-YPMHNXCESA-N -1 0 388.467 2.636 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cnccc1-n1cccn1 ZINC000523458469 564667301 /nfs/dbraw/zinc/66/73/01/564667301.db2.gz GSIHLUWWMIXHJI-UHFFFAOYSA-N -1 0 379.785 2.630 20 5 GFBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000461116006 564789761 /nfs/dbraw/zinc/78/97/61/564789761.db2.gz ITXVNWATRAJSOO-UHFFFAOYSA-N -1 0 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GFBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000833112129 601186893 /nfs/dbraw/zinc/18/68/93/601186893.db2.gz JAVJLMVFMATMOY-UWVGGRQHSA-N -1 0 384.772 2.621 20 5 GFBDRM O=C([O-])c1c(F)ccc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)c1F ZINC000833293617 601240855 /nfs/dbraw/zinc/24/08/55/601240855.db2.gz AHNQWTDYXAPEAN-UHFFFAOYSA-N -1 0 393.707 2.992 20 5 GFBDRM C[C@H](Nc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000827767682 601249304 /nfs/dbraw/zinc/24/93/04/601249304.db2.gz HRSKEULFPKOIRF-ZETCQYMHSA-N -1 0 387.308 2.956 20 5 GFBDRM CC[C@H](NC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000828907646 601372505 /nfs/dbraw/zinc/37/25/05/601372505.db2.gz YXGRPKOCAUXFPA-INIZCTEOSA-N -1 0 385.376 2.807 20 5 GFBDRM CC[C@@H](NC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000828907647 601372522 /nfs/dbraw/zinc/37/25/22/601372522.db2.gz YXGRPKOCAUXFPA-MRXNPFEDSA-N -1 0 385.376 2.807 20 5 GFBDRM 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C[C@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(=O)c1c[nH]c2ncccc12 ZINC000833533076 604474932 /nfs/dbraw/zinc/47/49/32/604474932.db2.gz LRSGIHSQSJRDQL-VIFPVBQESA-N -1 0 383.316 2.598 20 5 GFBDRM Cc1cc([C@H](C)OC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)oc1C(=O)[O-] ZINC000832864075 604542259 /nfs/dbraw/zinc/54/22/59/604542259.db2.gz YWRIKYDXMFEUJK-NSHDSACASA-N -1 0 390.348 2.537 20 5 GFBDRM COc1cc(OC)cc([C@@H](OC(=O)c2c(C)cccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000832072630 604551662 /nfs/dbraw/zinc/55/16/62/604551662.db2.gz FDSFALDLQQWVKV-MRXNPFEDSA-N -1 0 375.333 2.903 20 5 GFBDRM CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000833401511 604696580 /nfs/dbraw/zinc/69/65/80/604696580.db2.gz VPTNPUPGTHQXPK-UHFFFAOYSA-N -1 0 399.764 2.917 20 5 GFBDRM CC1(CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000833565764 604718181 /nfs/dbraw/zinc/71/81/81/604718181.db2.gz HMBKWLSJVXHMAR-UHFFFAOYSA-N -1 0 383.404 2.626 20 5 GFBDRM O=C([O-])c1cccc(NC2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000833329872 604791076 /nfs/dbraw/zinc/79/10/76/604791076.db2.gz JJFZMBOZZHSRQQ-UHFFFAOYSA-N -1 0 399.403 2.775 20 5 GFBDRM Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(C(=O)[O-])c(F)c2)cccc1[N+](=O)[O-] ZINC000832857455 604853284 /nfs/dbraw/zinc/85/32/84/604853284.db2.gz OGQRKSNDXBEJTK-SNVBAGLBSA-N -1 0 390.323 2.925 20 5 GFBDRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000827851863 604856129 /nfs/dbraw/zinc/85/61/29/604856129.db2.gz DOCIYLRTOMSAEG-SECBINFHSA-N -1 0 376.296 2.616 20 5 GFBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3(C(=O)[O-])CCC3)cc2[N+](=O)[O-])C1 ZINC000237477750 604885248 /nfs/dbraw/zinc/88/52/48/604885248.db2.gz YQHLIIAPCFQKPW-CHWSQXEVSA-N -1 0 375.425 2.814 20 5 GFBDRM CC(C)c1n[nH]c(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000827097431 604930574 /nfs/dbraw/zinc/93/05/74/604930574.db2.gz OGVRVYCXRYQXPZ-OLZOCXBDSA-N -1 0 378.429 2.937 20 5 GFBDRM CN(C(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1C(=O)[O-] ZINC000833684715 604975145 /nfs/dbraw/zinc/97/51/45/604975145.db2.gz PZNUFYPZZLFTQV-UHFFFAOYSA-N -1 0 383.404 2.920 20 5 GFBDRM CCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])ccc1=O ZINC000833681985 605003058 /nfs/dbraw/zinc/00/30/58/605003058.db2.gz NLBCFVQPXYHFMY-UHFFFAOYSA-N -1 0 391.405 2.596 20 5 GFBDRM C[C@@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CCOC1(C)C ZINC000833633793 605006717 /nfs/dbraw/zinc/00/67/17/605006717.db2.gz GXYIGWLOJUDIAU-NSHDSACASA-N -1 0 382.438 2.801 20 5 GFBDRM Cc1ccc([C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C(=O)[O-])cc1 ZINC000439935656 605042680 /nfs/dbraw/zinc/04/26/80/605042680.db2.gz UGSMAGWWBPJOHV-OAHLLOKOSA-N -1 0 394.387 2.687 20 5 GFBDRM C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000833520817 605057933 /nfs/dbraw/zinc/05/79/33/605057933.db2.gz SLMXXCNNNZQXJK-VIFPVBQESA-N -1 0 391.767 2.762 20 5 GFBDRM CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833686262 605179962 /nfs/dbraw/zinc/17/99/62/605179962.db2.gz PTRVYPLPQDVMII-ZDUSSCGKSA-N -1 0 396.197 2.594 20 5 GFBDRM Cc1sc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1C ZINC000833758016 605302975 /nfs/dbraw/zinc/30/29/75/605302975.db2.gz IFRZFQCXQIMFPJ-UHFFFAOYSA-N -1 0 384.435 2.956 20 5 GFBDRM C[C@H](Cc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1)N(C)C(=O)[O-] ZINC000825036365 605311539 /nfs/dbraw/zinc/31/15/39/605311539.db2.gz NCEHHKYNKFTRFB-LLVKDONJSA-N -1 0 375.385 2.786 20 5 GFBDRM C/C(=C\C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000833383554 605332882 /nfs/dbraw/zinc/33/28/82/605332882.db2.gz UWLMLXQTZZFKNN-OUKQBFOZSA-N -1 0 397.387 2.841 20 5 GFBDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000833744849 605442866 /nfs/dbraw/zinc/44/28/66/605442866.db2.gz KILXFVHMJONGCK-LBPRGKRZSA-N -1 0 396.396 2.706 20 5 GFBDRM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000834174302 605470798 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/nfs/dbraw/zinc/67/64/24/605676424.db2.gz NDLSNZZXEBGJPZ-XHDPSFHLSA-N -1 0 392.437 2.575 20 5 GFBDRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000825831983 605771400 /nfs/dbraw/zinc/77/14/00/605771400.db2.gz PCRBWCMCEQKOIP-KWQFWETISA-N -1 0 386.202 2.618 20 5 GFBDRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000825807719 605840173 /nfs/dbraw/zinc/84/01/73/605840173.db2.gz FCBBVOLOFUYJPC-ZYHUDNBSSA-N -1 0 385.804 2.664 20 5 GFBDRM C[C@]1(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCCN1C(=O)[O-] ZINC000833822389 605867492 /nfs/dbraw/zinc/86/74/92/605867492.db2.gz MPXVSNBMGOVSKI-QGZVFWFLSA-N -1 0 390.352 2.611 20 5 GFBDRM O=C([O-])N1CC[C@@H](N(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)C1 ZINC000831935305 605870409 /nfs/dbraw/zinc/87/04/09/605870409.db2.gz QZKCPVLSWRSZCB-LLVKDONJSA-N -1 0 387.314 2.971 20 5 GFBDRM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000834252546 605894147 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382.170 2.955 20 5 GFBDRM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007708993 654475649 /nfs/dbraw/zinc/47/56/49/654475649.db2.gz YVVNEPOBKBUBFL-UHFFFAOYSA-N -1 0 376.799 2.897 20 5 GFBDRM C[C@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000837290134 660982809 /nfs/dbraw/zinc/98/28/09/660982809.db2.gz PBXONGTVTMXHEW-OCCSQVGLSA-N -1 0 394.808 2.699 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)n2)cc1Br ZINC000130833961 654892269 /nfs/dbraw/zinc/89/22/69/654892269.db2.gz YKKCXQXMMSFLQU-UHFFFAOYSA-N -1 0 376.163 2.692 20 5 GFBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCc3cc(Br)ccc32)ccc1[O-] ZINC000066306240 654900504 /nfs/dbraw/zinc/90/05/04/654900504.db2.gz MNFVJAFJQAAJCL-UHFFFAOYSA-N -1 0 399.222 2.814 20 5 GFBDRM COc1ccnc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 ZINC000131779473 654918121 /nfs/dbraw/zinc/91/81/21/654918121.db2.gz SWIIRTVGFPQHFK-UHFFFAOYSA-N -1 0 388.199 2.562 20 5 GFBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)c(C)c1 ZINC000133537824 654966420 /nfs/dbraw/zinc/96/64/20/654966420.db2.gz KRPCQBNAEMUJNY-UHFFFAOYSA-N -1 0 383.813 2.566 20 5 GFBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCc2cc(Br)cs2)ccc1[O-] ZINC000070213305 654992440 /nfs/dbraw/zinc/99/24/40/654992440.db2.gz JOWPGTHOCHWBBI-UHFFFAOYSA-N -1 0 393.240 2.603 20 5 GFBDRM COCC1(C(=O)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CCCC1 ZINC000838784353 661057030 /nfs/dbraw/zinc/05/70/30/661057030.db2.gz OEDHKNGDWULUJH-UHFFFAOYSA-N -1 0 390.845 2.568 20 5 GFBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000112160670 655184200 /nfs/dbraw/zinc/18/42/00/655184200.db2.gz YSWLWOLSYPYRJJ-NWDGAFQWSA-N -1 0 386.838 2.918 20 5 GFBDRM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000116711957 655252230 /nfs/dbraw/zinc/25/22/30/655252230.db2.gz WZVLWFSTQGTINK-XMMPIXPASA-N -1 0 386.426 2.722 20 5 GFBDRM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000119030446 655287253 /nfs/dbraw/zinc/28/72/53/655287253.db2.gz UBCPSZFYNOMNGP-UHFFFAOYSA-N -1 0 383.451 2.824 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1F ZINC000120597380 655340113 /nfs/dbraw/zinc/34/01/13/655340113.db2.gz LMJITZQIQGPVBK-UHFFFAOYSA-N -1 0 376.724 2.645 20 5 GFBDRM Cc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)s1 ZINC000193774610 655412272 /nfs/dbraw/zinc/41/22/72/655412272.db2.gz HKOXIBGBBPLSPL-UHFFFAOYSA-N -1 0 378.229 2.923 20 5 GFBDRM CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194723211 655417202 /nfs/dbraw/zinc/41/72/02/655417202.db2.gz PTGCQZKBKMQHKV-UHFFFAOYSA-N -1 0 387.776 2.548 20 5 GFBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000263342817 655451147 /nfs/dbraw/zinc/45/11/47/655451147.db2.gz NVHYWQOSCGQVRW-SFYZADRCSA-N -1 0 389.177 2.679 20 5 GFBDRM CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)cc([N+](=O)[O-])c1N)C1CCCC1 ZINC000596020270 655513534 /nfs/dbraw/zinc/51/35/34/655513534.db2.gz HTSONOGOBBJFOT-CYBMUJFWSA-N -1 0 377.850 2.777 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000732494684 655596794 /nfs/dbraw/zinc/59/67/94/655596794.db2.gz CYMSKKLSFMSSFV-NSHDSACASA-N -1 0 390.845 2.711 20 5 GFBDRM C[C@H]1CCC[C@@H](OCC(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000733049462 655607004 /nfs/dbraw/zinc/60/70/04/655607004.db2.gz DCJZFHBNBGIWFL-WDEREUQCSA-N -1 0 390.845 2.648 20 5 GFBDRM CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000733676221 655619100 /nfs/dbraw/zinc/61/91/00/655619100.db2.gz DCRNVYOICUVGTP-AWEZNQCLSA-N -1 0 390.845 2.791 20 5 GFBDRM C[C@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000733685513 655619433 /nfs/dbraw/zinc/61/94/33/655619433.db2.gz WGASTDDBBDOLOE-GWCFXTLKSA-N -1 0 390.845 2.648 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2csc3c2CCCC3)ccc1[N+](=O)[O-] ZINC000734735478 655634007 /nfs/dbraw/zinc/63/40/07/655634007.db2.gz VXTFHQKUBGOIHA-UHFFFAOYSA-N -1 0 380.447 2.962 20 5 GFBDRM COc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000734735592 655634016 /nfs/dbraw/zinc/63/40/16/655634016.db2.gz ZMAOCVSFEJIRKR-UHFFFAOYSA-N -1 0 384.797 2.684 20 5 GFBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1Cl ZINC000735646364 655650548 /nfs/dbraw/zinc/65/05/48/655650548.db2.gz PXBXYROTMHYPSM-UHFFFAOYSA-N -1 0 388.760 2.975 20 5 GFBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)nc1 ZINC000743048706 655725838 /nfs/dbraw/zinc/72/58/38/655725838.db2.gz XFULXVKGLHLLTM-UHFFFAOYSA-N -1 0 388.199 2.562 20 5 GFBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2cccc(C)c2Cl)ccc1[N+](=O)[O-] ZINC000755096879 655879461 /nfs/dbraw/zinc/87/94/61/655879461.db2.gz FPKGPKSIVGPEOK-UHFFFAOYSA-N -1 0 384.797 2.684 20 5 GFBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc(-c3cccnc3)ns2)ccc1Cl ZINC000755439036 655883286 /nfs/dbraw/zinc/88/32/86/655883286.db2.gz ZSMYPTTXORSSGS-UHFFFAOYSA-N -1 0 397.825 2.963 20 5 GFBDRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000761212907 656003260 /nfs/dbraw/zinc/00/32/60/656003260.db2.gz QRAJBQRCYGNMOG-UHFFFAOYSA-N -1 0 377.850 2.852 20 5 GFBDRM C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000764015835 656098970 /nfs/dbraw/zinc/09/89/70/656098970.db2.gz GJBRHCSGLOXECN-NSHDSACASA-N -1 0 382.825 2.998 20 5 GFBDRM CSc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000766611658 656177346 /nfs/dbraw/zinc/17/73/46/656177346.db2.gz DVYCODKHRMDLMJ-UHFFFAOYSA-N -1 0 384.410 2.716 20 5 GFBDRM CCOc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(OC)c2)c([N+](=O)[O-])c1 ZINC000767700419 656215419 /nfs/dbraw/zinc/21/54/19/656215419.db2.gz RRDZFRWJCHEGHU-UHFFFAOYSA-N -1 0 387.801 2.851 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000776531038 656752215 /nfs/dbraw/zinc/75/22/15/656752215.db2.gz KBUCEHKTNBWLBM-UHFFFAOYSA-N -1 0 384.797 2.733 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000776690549 656782973 /nfs/dbraw/zinc/78/29/73/656782973.db2.gz AKYUXHZLANTJOZ-LLVKDONJSA-N -1 0 390.845 2.965 20 5 GFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C[C@H](C)C(=O)[O-] ZINC000777908741 656841697 /nfs/dbraw/zinc/84/16/97/656841697.db2.gz KGVAWGFXETVXBR-VIFPVBQESA-N -1 0 378.834 2.724 20 5 GFBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000779188970 656902993 /nfs/dbraw/zinc/90/29/93/656902993.db2.gz DPJYQRIKHNAYOI-UHFFFAOYSA-N -1 0 392.361 2.685 20 5 GFBDRM COCc1ccsc1C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000779188854 656903598 /nfs/dbraw/zinc/90/35/98/656903598.db2.gz AODGGLUFTDDQTI-UHFFFAOYSA-N -1 0 384.435 2.538 20 5 GFBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccnc1C1CC1 ZINC000784852276 657328178 /nfs/dbraw/zinc/32/81/78/657328178.db2.gz UFYPNQHRZIOPHU-UHFFFAOYSA-N -1 0 381.797 2.639 20 5 GFBDRM O=C([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000787005900 657504975 /nfs/dbraw/zinc/50/49/75/657504975.db2.gz XONOCHAHPRXIAA-UHFFFAOYSA-N -1 0 390.751 2.786 20 5 GFBDRM Cc1c(C(=O)[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cccc1[N+](=O)[O-] ZINC000788162701 657662854 /nfs/dbraw/zinc/66/28/54/657662854.db2.gz FBZKPSNRIHKABJ-UHFFFAOYSA-N -1 0 390.751 2.954 20 5 GFBDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(Cl)c1 ZINC000790793717 658023850 /nfs/dbraw/zinc/02/38/50/658023850.db2.gz IVJIOEISJHDUOR-UHFFFAOYSA-N -1 0 386.788 2.743 20 5 GFBDRM Cn1nc(Br)cc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000794050306 658481976 /nfs/dbraw/zinc/48/19/76/658481976.db2.gz FYGUAXGWHPHTNX-UHFFFAOYSA-N -1 0 395.622 2.545 20 5 GFBDRM CC1CCC(OCC(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000796609780 658927257 /nfs/dbraw/zinc/92/72/57/658927257.db2.gz BJDHHQCGUFTISE-UHFFFAOYSA-N -1 0 390.845 2.648 20 5 GFBDRM CO[C@@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000796662778 658929584 /nfs/dbraw/zinc/92/95/84/658929584.db2.gz FCIWZXGDNYUSJN-GHMZBOCLSA-N -1 0 390.845 2.648 20 5 GFBDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000797062386 658970807 /nfs/dbraw/zinc/97/08/07/658970807.db2.gz UYGVNHRSLOUDBN-UHFFFAOYSA-N -1 0 384.797 2.684 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000797149458 658986591 /nfs/dbraw/zinc/98/65/91/658986591.db2.gz HHIOYGRHVRDORC-JGVFFNPUSA-N -1 0 384.307 2.517 20 5 GFBDRM Cc1c(NC(=O)C(=O)[N-]OC2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000797534975 659032063 /nfs/dbraw/zinc/03/20/63/659032063.db2.gz HBMDBSLQIAEPFF-UHFFFAOYSA-N -1 0 386.202 2.595 20 5 GFBDRM COc1cccc(C(=O)[N-]S(=O)(=O)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000799646893 659206203 /nfs/dbraw/zinc/20/62/03/659206203.db2.gz OHIGRLFMHGMZMR-UHFFFAOYSA-N -1 0 384.797 2.517 20 5 GFBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)ccc1[N+](=O)[O-] ZINC000809011752 659913135 /nfs/dbraw/zinc/91/31/35/659913135.db2.gz GREQOJPEQKKTMT-UHFFFAOYSA-N -1 0 390.751 2.954 20 5 GFBDRM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000809119632 659916758 /nfs/dbraw/zinc/91/67/58/659916758.db2.gz XVKOAEJAXWXPSI-UHFFFAOYSA-N -1 0 394.352 2.723 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc2cc(Cl)sc2[nH]1 ZINC000810515569 659975778 /nfs/dbraw/zinc/97/57/78/659975778.db2.gz LSEXAMRIQZLHLI-UHFFFAOYSA-N -1 0 385.810 2.910 20 5 GFBDRM Cc1ccc2snc(C(=O)[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2c1 ZINC000815892739 660134314 /nfs/dbraw/zinc/13/43/14/660134314.db2.gz ASTAOZKTORUZGG-UHFFFAOYSA-N -1 0 377.403 2.632 20 5 GFBDRM CC(C)OCCS(=O)(=O)[N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841561082 661301730 /nfs/dbraw/zinc/30/17/30/661301730.db2.gz MOAMCBNBRVKOCM-LBPRGKRZSA-N -1 0 388.339 2.682 20 5 GFBDRM O=C(CCC1CCC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842451379 661340070 /nfs/dbraw/zinc/34/00/70/661340070.db2.gz JMZFVPJDHIFPIW-UHFFFAOYSA-N -1 0 380.344 2.999 20 5 GFBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000842451847 661340299 /nfs/dbraw/zinc/34/02/99/661340299.db2.gz MEXWTOPJVLSEIJ-UHFFFAOYSA-N -1 0 380.344 2.855 20 5 GFBDRM CC1=C(C)C[C@@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)CC1 ZINC000842722646 661351231 /nfs/dbraw/zinc/35/12/31/661351231.db2.gz SPIHDLVVCTZZON-JTQLQIEISA-N -1 0 387.845 2.772 20 5 GFBDRM C[C@H](C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000848684453 661673418 /nfs/dbraw/zinc/67/34/18/661673418.db2.gz QKMVLXIWPRPSGS-ZYHUDNBSSA-N -1 0 390.845 2.902 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](C)[C@H](CC(=O)[O-])C2)c1 ZINC000849221097 661697824 /nfs/dbraw/zinc/69/78/24/661697824.db2.gz VFQZBNBLWDISBE-GHMZBOCLSA-N -1 0 390.845 2.678 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C2CC3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000850737060 661789800 /nfs/dbraw/zinc/78/98/00/661789800.db2.gz PVRWPHBEXSKJBY-UHFFFAOYSA-N -1 0 394.783 2.797 20 5 GFBDRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000850794902 661790955 /nfs/dbraw/zinc/79/09/55/661790955.db2.gz RBDNUYCQLZSHSK-CYBMUJFWSA-N -1 0 390.845 2.648 20 5 GFBDRM O=C([O-])C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC1 ZINC000851620619 661826406 /nfs/dbraw/zinc/82/64/06/661826406.db2.gz PPJYAUNHNCCWBT-QMMMGPOBSA-N -1 0 389.177 2.727 20 5 GFBDRM O=C([O-])[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CCC1 ZINC000853025404 661878977 /nfs/dbraw/zinc/87/89/77/661878977.db2.gz ZYQOTRTTXNUMAG-QMMMGPOBSA-N -1 0 397.236 2.681 20 5 GFBDRM COC[C@@]1(C(=O)[O-])CCCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901864362 663748558 /nfs/dbraw/zinc/74/85/58/663748558.db2.gz IETPEJODPIINSM-CYBMUJFWSA-N -1 0 393.259 2.732 20 5 GFBDRM COc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000917443917 664483484 /nfs/dbraw/zinc/48/34/84/664483484.db2.gz QLKPCEADUSFDLS-UHFFFAOYSA-N -1 0 384.797 2.684 20 5 GFBDRM O=C1CSc2ccc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])cc2N1 ZINC000917731017 664489418 /nfs/dbraw/zinc/48/94/18/664489418.db2.gz HNSATVLBVVQEIM-UHFFFAOYSA-N -1 0 383.382 2.579 20 5 GFBDRM Cc1nn(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1C ZINC000107037022 551201410 /nfs/dbraw/zinc/20/14/10/551201410.db2.gz ZJCYCBRMMCHGBV-UHFFFAOYSA-N -1 0 389.231 2.508 20 5 GFBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)c1C ZINC000185658839 552368577 /nfs/dbraw/zinc/36/85/77/552368577.db2.gz NXKXWWVFKGJSBG-XMMPIXPASA-N -1 0 382.463 2.891 20 5 GFBDRM CC(C)(C(=O)[O-])n1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000193018319 552980360 /nfs/dbraw/zinc/98/03/60/552980360.db2.gz JJSASYXSEDCCKE-UHFFFAOYSA-N -1 0 397.185 2.626 20 5 GFBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000194740192 553029003 /nfs/dbraw/zinc/02/90/03/553029003.db2.gz PHLAEAKQLSDZIJ-UHFFFAOYSA-N -1 0 381.841 2.973 20 5 GFBDRM O=C([O-])CC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000262767159 553175082 /nfs/dbraw/zinc/17/50/82/553175082.db2.gz AAUCMRSMJKBCFK-UHFFFAOYSA-N -1 0 385.214 2.804 20 5 GFBDRM O=C([O-])[C@@H]1CCCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000326297184 563454506 /nfs/dbraw/zinc/45/45/06/563454506.db2.gz DCSFDVSKJWQPLD-LBPRGKRZSA-N -1 0 376.818 2.656 20 5 GFBDRM C[C@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000326968113 563456533 /nfs/dbraw/zinc/45/65/33/563456533.db2.gz PBEWPAQGVUYKAE-MNOVXSKESA-N -1 0 390.845 2.760 20 5 GFBDRM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)c([N+](=O)[O-])c1 ZINC000327582576 563458540 /nfs/dbraw/zinc/45/85/40/563458540.db2.gz XEOUUJRYSPDMFO-UHFFFAOYSA-N -1 0 386.769 2.756 20 5 GFBDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000427988167 563479816 /nfs/dbraw/zinc/47/98/16/563479816.db2.gz NRUVHAWNSHZZCX-ZETCQYMHSA-N -1 0 387.179 2.632 20 5 GFBDRM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000393160256 563528841 /nfs/dbraw/zinc/52/88/41/563528841.db2.gz JKVKAOLTVVJVSM-CQSZACIVSA-N -1 0 384.797 2.661 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c1 ZINC000286078852 563547829 /nfs/dbraw/zinc/54/78/29/563547829.db2.gz SSXBRYASMNYBKN-SECBINFHSA-N -1 0 378.809 2.767 20 5 GFBDRM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000433749313 563619142 /nfs/dbraw/zinc/61/91/42/563619142.db2.gz OHSRDKFSIDPPAE-UHFFFAOYSA-N -1 0 399.252 2.912 20 5 GFBDRM O=C(Nc1cnc2c(Br)cccn12)c1cccc([N+](=O)[O-])c1[O-] ZINC000436745542 563678943 /nfs/dbraw/zinc/67/89/43/563678943.db2.gz CPAYGNSTYWSVBD-UHFFFAOYSA-N -1 0 377.154 2.963 20 5 GFBDRM CCS[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000414336068 563727554 /nfs/dbraw/zinc/72/75/54/563727554.db2.gz HNQKEPOVLQHTKG-VXGBXAGGSA-N -1 0 388.467 2.636 20 5 GFBDRM CC(C)n1ncnc1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000416483019 563836634 /nfs/dbraw/zinc/83/66/34/563836634.db2.gz IBJJJPBQILCODY-UHFFFAOYSA-N -1 0 394.240 2.553 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H](CO)C1 ZINC000416669275 563859565 /nfs/dbraw/zinc/85/95/65/563859565.db2.gz XEMAXTHKMFZZOR-PSASIEDQSA-N -1 0 383.253 2.731 20 5 GFBDRM Cc1sc(S(=O)(=O)[N-]c2ccc3ccc(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000447281714 563879149 /nfs/dbraw/zinc/87/91/49/563879149.db2.gz SZXKSYWVJZGGTQ-UHFFFAOYSA-N -1 0 379.419 2.617 20 5 GFBDRM CSc1cccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000471137363 564187519 /nfs/dbraw/zinc/18/75/19/564187519.db2.gz PHLUZRNXFKOJAU-UHFFFAOYSA-N -1 0 382.419 2.840 20 5 GFBDRM CC(C)N(Cc1cccs1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000564080898 564219507 /nfs/dbraw/zinc/21/95/07/564219507.db2.gz FWVFQSYBQABJCC-UHFFFAOYSA-N -1 0 384.435 2.954 20 5 GFBDRM CNC(=O)Nc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1F ZINC000507603644 564234541 /nfs/dbraw/zinc/23/45/41/564234541.db2.gz JPNSFBOWAUAQNR-UHFFFAOYSA-N -1 0 388.402 2.656 20 5 GFBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000564623562 564242062 /nfs/dbraw/zinc/24/20/62/564242062.db2.gz LSYIFLKQZVRIDQ-CQSZACIVSA-N -1 0 384.797 2.661 20 5 GFBDRM COC(=O)c1c(C)csc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000508070398 564251958 /nfs/dbraw/zinc/25/19/58/564251958.db2.gz WEGLARNNDYDPPL-UHFFFAOYSA-N -1 0 386.407 2.561 20 5 GFBDRM Cc1c([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cnn1[C@H]1CCOC1 ZINC000451099359 564273831 /nfs/dbraw/zinc/27/38/31/564273831.db2.gz LGVXSIAPQNHKAN-JTQLQIEISA-N -1 0 386.817 2.515 20 5 GFBDRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnn1[C@H]1CCOC1 ZINC000451100708 564274919 /nfs/dbraw/zinc/27/49/19/564274919.db2.gz WVLJOQSTDZOMGD-NSHDSACASA-N -1 0 386.817 2.515 20 5 GFBDRM Cc1ccc(C)c(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)c1[N+](=O)[O-] ZINC000479120213 564425675 /nfs/dbraw/zinc/42/56/75/564425675.db2.gz UWYVPYLPHVAZEL-UHFFFAOYSA-N -1 0 382.360 2.601 20 5 GFBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c([N+](=O)[O-])c1 ZINC000513817906 564440313 /nfs/dbraw/zinc/44/03/13/564440313.db2.gz RJNUOGMNQNTERF-UHFFFAOYSA-N -1 0 386.769 2.541 20 5 GFBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NCc1cccc(Cl)c1 ZINC000546260750 564451738 /nfs/dbraw/zinc/45/17/38/564451738.db2.gz CPHIJMIZKJCYSV-UHFFFAOYSA-N -1 0 384.797 2.733 20 5 GFBDRM Cn1cc([C@H]2CSCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000514675070 564453320 /nfs/dbraw/zinc/45/33/20/564453320.db2.gz JIUONUNURKYRTJ-CYBMUJFWSA-N -1 0 382.829 2.618 20 5 GFBDRM CCS[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000569814985 564479128 /nfs/dbraw/zinc/47/91/28/564479128.db2.gz MWIBFSGRJVFDNK-WDEREUQCSA-N -1 0 388.467 2.636 20 5 GFBDRM CCS(=O)(=O)c1ccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])s1 ZINC000516929980 564517154 /nfs/dbraw/zinc/51/71/54/564517154.db2.gz YSULGJAAHLOYMV-UHFFFAOYSA-N -1 0 384.435 2.689 20 5 GFBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(-c2cccs2)o1 ZINC000481859535 564525832 /nfs/dbraw/zinc/52/58/32/564525832.db2.gz ORHNWTLEXNSDMW-UHFFFAOYSA-N -1 0 382.379 2.516 20 5 GFBDRM O=C([O-])C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000548196293 564534796 /nfs/dbraw/zinc/53/47/96/564534796.db2.gz DSUWATJIIHLGKS-NSHDSACASA-N -1 0 390.826 2.804 20 5 GFBDRM CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000548555239 564559389 /nfs/dbraw/zinc/55/93/89/564559389.db2.gz FIAILZCFQQEUGU-ZETCQYMHSA-N -1 0 385.225 2.774 20 5 GFBDRM CCCCC[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000548570125 564562260 /nfs/dbraw/zinc/56/22/60/564562260.db2.gz DKLNCGVQYFDDHZ-KBPBESRZSA-N -1 0 388.467 2.692 20 5 GFBDRM O=C([O-])c1cc(/C=C\c2cc(I)cc([N+](=O)[O-])c2)ncn1 ZINC000571697913 564562323 /nfs/dbraw/zinc/56/23/23/564562323.db2.gz IZKBTMCMTOESNV-UPHRSURJSA-N -1 0 397.128 2.858 20 5 GFBDRM CCCCC[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000548570129 564562423 /nfs/dbraw/zinc/56/24/23/564562423.db2.gz DKLNCGVQYFDDHZ-ZIAGYGMSSA-N -1 0 388.467 2.692 20 5 GFBDRM CCc1ccc(S(=O)(=O)[N-]c2nnc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000572158430 564583701 /nfs/dbraw/zinc/58/37/01/564583701.db2.gz PTABBTZKXRYAEZ-UHFFFAOYSA-N -1 0 382.345 2.828 20 5 GFBDRM CCC[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000574534464 564677944 /nfs/dbraw/zinc/67/79/44/564677944.db2.gz BOBGGYKXELXUGS-JOYOIKCWSA-N -1 0 376.818 2.512 20 5 GFBDRM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000553494472 564723299 /nfs/dbraw/zinc/72/32/99/564723299.db2.gz FUJAFFORBLHTEH-UHFFFAOYSA-N -1 0 392.767 2.884 20 5 GFBDRM O=C([O-])c1sccc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000580548141 564764249 /nfs/dbraw/zinc/76/42/49/564764249.db2.gz GOWWQBPOLGSDFP-UHFFFAOYSA-N -1 0 382.419 2.708 20 5 GFBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000461108147 564789922 /nfs/dbraw/zinc/78/99/22/564789922.db2.gz PCDYYSMOEAGHFT-UHFFFAOYSA-N -1 0 392.618 2.628 20 5 GFBDRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccncc3[N+](=O)[O-])c2)n1 ZINC000461108628 564790052 /nfs/dbraw/zinc/79/00/52/564790052.db2.gz BLFKIZYGBKTUJD-UHFFFAOYSA-N -1 0 376.419 2.644 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c(F)c1 ZINC000555414185 564792183 /nfs/dbraw/zinc/79/21/83/564792183.db2.gz CTUHLAGZBRDRPZ-SECBINFHSA-N -1 0 385.320 2.772 20 5 GFBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(OC)c1OC ZINC000466961230 564951112 /nfs/dbraw/zinc/95/11/12/564951112.db2.gz HSYNDVBJMYCKDG-UHFFFAOYSA-N -1 0 388.423 2.791 20 5 GFBDRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O ZINC000467764773 564971984 /nfs/dbraw/zinc/97/19/84/564971984.db2.gz BAMCCSOSBLEKHS-UHFFFAOYSA-N -1 0 386.769 2.541 20 5 GFBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000467774745 564972046 /nfs/dbraw/zinc/97/20/46/564972046.db2.gz XAETUQJTFXWQKV-UHFFFAOYSA-N -1 0 386.769 2.526 20 5 GFBDRM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000534083579 564979419 /nfs/dbraw/zinc/97/94/19/564979419.db2.gz IIEVKVJZBFMMIV-MRVPVSSYSA-N -1 0 399.252 2.912 20 5 GFBDRM CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000562295356 565023423 /nfs/dbraw/zinc/02/34/23/565023423.db2.gz GKITZKVJBMPWLO-WPRPVWTQSA-N -1 0 397.236 2.775 20 5 GFBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000503660980 565025727 /nfs/dbraw/zinc/02/57/27/565025727.db2.gz WSNKXEJTZHFSAJ-UHFFFAOYSA-N -1 0 381.841 2.973 20 5 GFBDRM Cc1nn(C)c(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)c1[N+](=O)[O-] ZINC000537367592 565057866 /nfs/dbraw/zinc/05/78/66/565057866.db2.gz FWIBLLIFFCPPSY-UHFFFAOYSA-N -1 0 380.407 2.541 20 5 GFBDRM O=C([O-])C[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000617742724 565256780 /nfs/dbraw/zinc/25/67/80/565256780.db2.gz VNDXQGKETBZOHA-NSHDSACASA-N -1 0 385.214 2.756 20 5 GFBDRM Cc1ccc(C[C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])s1 ZINC000592138159 565260604 /nfs/dbraw/zinc/26/06/04/565260604.db2.gz UZOUQHAOGPYZAD-SECBINFHSA-N -1 0 384.435 2.572 20 5 GFBDRM CCS[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000593309439 565325614 /nfs/dbraw/zinc/32/56/14/565325614.db2.gz WRVJIEVJMZNDFK-OCCSQVGLSA-N -1 0 388.467 2.636 20 5 GFBDRM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772932 565419021 /nfs/dbraw/zinc/41/90/21/565419021.db2.gz NTCOVMHPFORRHD-QMTHXVAHSA-N -1 0 385.829 2.698 20 5 GFBDRM Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccsc2)c(C)c1[N+](=O)[O-] ZINC000598584073 565629207 /nfs/dbraw/zinc/62/92/07/565629207.db2.gz BCNSIYCGQDURGF-GFCCVEGCSA-N -1 0 384.435 2.767 20 5 GFBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000599332651 565671660 /nfs/dbraw/zinc/67/16/60/565671660.db2.gz VHZBXRUVBSNPDV-WCQYABFASA-N -1 0 384.845 2.596 20 5 GFBDRM Cc1cc(C)c([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1Br ZINC000600654798 565740709 /nfs/dbraw/zinc/74/07/09/565740709.db2.gz FNGWKHLZNBCUTI-UHFFFAOYSA-N -1 0 389.231 2.508 20 5 GFBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)n1 ZINC000600650561 565740908 /nfs/dbraw/zinc/74/09/08/565740908.db2.gz MIUSYVZWYUAJRC-UHFFFAOYSA-N -1 0 378.332 2.624 20 5 GFBDRM CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000610508200 566085088 /nfs/dbraw/zinc/08/50/88/566085088.db2.gz BZGMNSWPMMAVFL-UHFFFAOYSA-N -1 0 386.813 2.653 20 5 GFBDRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000611151476 566117506 /nfs/dbraw/zinc/11/75/06/566117506.db2.gz NEKDIVFXVSYYDH-UHFFFAOYSA-N -1 0 382.785 2.934 20 5 GFBDRM CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c1 ZINC000738211013 599701813 /nfs/dbraw/zinc/70/18/13/599701813.db2.gz FLGIXVJVJFTVSP-GFCCVEGCSA-N -1 0 390.417 2.696 20 5 GFBDRM O=C([O-])CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000739759490 599767442 /nfs/dbraw/zinc/76/74/42/599767442.db2.gz BOVOCAJMPFDMGR-UHFFFAOYSA-N -1 0 399.403 2.701 20 5 GFBDRM C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000736827340 599800805 /nfs/dbraw/zinc/80/08/05/599800805.db2.gz ZNEJXAWSZHKACX-LLVKDONJSA-N -1 0 376.390 2.681 20 5 GFBDRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000431975065 599832472 /nfs/dbraw/zinc/83/24/72/599832472.db2.gz VIWNTVFDGDDDGD-UHFFFAOYSA-N -1 0 393.346 2.788 20 5 GFBDRM O=C([O-])c1c(F)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000739485548 599848234 /nfs/dbraw/zinc/84/82/34/599848234.db2.gz SKCOYNDSIWCCHC-UHFFFAOYSA-N -1 0 389.339 2.521 20 5 GFBDRM O=C([O-])CN(Cc1ccc(F)c(F)c1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000739795219 599854384 /nfs/dbraw/zinc/85/43/84/599854384.db2.gz FGJYUXGVHJEVFP-UHFFFAOYSA-N -1 0 376.319 2.767 20 5 GFBDRM O=C([O-])c1c(NC(=O)COc2ccc(F)cc2[N+](=O)[O-])sc2c1CCC2 ZINC000739328451 599908870 /nfs/dbraw/zinc/90/88/70/599908870.db2.gz IFLUPXQTKVNWKS-UHFFFAOYSA-N -1 0 380.353 3.000 20 5 GFBDRM CCOc1ccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000485798165 599950552 /nfs/dbraw/zinc/95/05/52/599950552.db2.gz NDSFJOUMDXXRFE-AWEZNQCLSA-N -1 0 390.367 2.806 20 5 GFBDRM CCNc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000737130372 599975961 /nfs/dbraw/zinc/97/59/61/599975961.db2.gz ZBRFBBVXNHJJET-OAHLLOKOSA-N -1 0 379.319 2.861 20 5 GFBDRM O=C([O-])[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000739338291 599991118 /nfs/dbraw/zinc/99/11/18/599991118.db2.gz NIDUWELUVURCLY-OAHLLOKOSA-N -1 0 382.344 2.907 20 5 GFBDRM CCNC(=O)c1cc(Cl)ccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737124210 599997664 /nfs/dbraw/zinc/99/76/64/599997664.db2.gz ZPRWXEXLTXPPEE-UHFFFAOYSA-N -1 0 391.767 2.948 20 5 GFBDRM O=C([O-])c1cc(F)ccc1COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000740291801 600117004 /nfs/dbraw/zinc/11/70/04/600117004.db2.gz XBODFTRFTIKMAB-UHFFFAOYSA-N -1 0 385.307 2.975 20 5 GFBDRM O=C([O-])C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000610841153 600167537 /nfs/dbraw/zinc/16/75/37/600167537.db2.gz FAILFOYZHYBHCE-CYBMUJFWSA-N -1 0 387.373 2.856 20 5 GFBDRM Cc1ccc([C@H](CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000580831580 600170833 /nfs/dbraw/zinc/17/08/33/600170833.db2.gz BWTYRAZPUZUMLG-HNNXBMFYSA-N -1 0 392.433 2.667 20 5 GFBDRM CC(C)(C)c1ccc(C(=O)OCc2noc(CCC(=O)[O-])n2)cc1[N+](=O)[O-] ZINC000736297971 600186331 /nfs/dbraw/zinc/18/63/31/600186331.db2.gz YHXDHBHXBRTNGJ-UHFFFAOYSA-N -1 0 377.353 2.650 20 5 GFBDRM CCOc1cc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c([N+](=O)[O-])cc1OC ZINC000737181491 600223974 /nfs/dbraw/zinc/22/39/74/600223974.db2.gz FYGBNMLBQHZFFQ-CYBMUJFWSA-N -1 0 386.360 2.831 20 5 GFBDRM O=C([O-])Nc1ccc(CNC(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1 ZINC000740024588 600247980 /nfs/dbraw/zinc/24/79/80/600247980.db2.gz FTLOZKDEYXXTOA-UHFFFAOYSA-N -1 0 395.375 2.865 20 5 GFBDRM Cc1noc(C)c1[C@@H](C)Nc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000738942207 600282144 /nfs/dbraw/zinc/28/21/44/600282144.db2.gz XTVXZOMLAQVZNX-PSASIEDQSA-N -1 0 376.369 2.576 20 5 GFBDRM O=C([O-])NCc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000739988257 600352869 /nfs/dbraw/zinc/35/28/69/600352869.db2.gz MGBNFUWXCYDTET-UHFFFAOYSA-N -1 0 399.407 2.717 20 5 GFBDRM 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Cc1cc(N2CCS(=O)(=O)C3(CCCCC3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891938 602324318 /nfs/dbraw/zinc/32/43/18/602324318.db2.gz LMLWXLAUQGHJCH-UHFFFAOYSA-N -1 0 382.438 2.539 20 5 GFBDRM CC(C)N(CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)[O-] ZINC000738846001 602355814 /nfs/dbraw/zinc/35/58/14/602355814.db2.gz GYOKGMYAMJYXFN-UHFFFAOYSA-N -1 0 378.429 2.703 20 5 GFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000832885692 602396965 /nfs/dbraw/zinc/39/69/65/602396965.db2.gz KWYIWGBLRQBRLP-UHFFFAOYSA-N -1 0 385.781 2.951 20 5 GFBDRM CCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739364096 602578994 /nfs/dbraw/zinc/57/89/94/602578994.db2.gz PXFCMDPUCVLPQO-AWEZNQCLSA-N -1 0 375.385 2.609 20 5 GFBDRM O=C([O-])N1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000740424742 602644568 /nfs/dbraw/zinc/64/45/68/602644568.db2.gz NCKCREURPLDOSW-AWEZNQCLSA-N -1 0 390.440 2.705 20 5 GFBDRM Cc1c(C(=O)Oc2cccc(CNC(=O)[O-])c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000740049821 602729667 /nfs/dbraw/zinc/72/96/67/602729667.db2.gz RAWUVIKFAAWFCZ-UHFFFAOYSA-N -1 0 375.293 2.798 20 5 GFBDRM CCOc1cc(C(=O)OC[C@H]2CCCN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OC ZINC000739486904 602744155 /nfs/dbraw/zinc/74/41/55/602744155.db2.gz LMOKUKLOTQAQFB-NSHDSACASA-N -1 0 382.369 2.549 20 5 GFBDRM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178529 602766534 /nfs/dbraw/zinc/76/65/34/602766534.db2.gz RSIURZCNPBFLTR-GBIKHYSHSA-N -1 0 384.820 2.553 20 5 GFBDRM O=C([O-])N1CCCC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000740455664 602946631 /nfs/dbraw/zinc/94/66/31/602946631.db2.gz CCGXGODZYMTFFB-SECBINFHSA-N -1 0 388.327 2.850 20 5 GFBDRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000738809609 602997293 /nfs/dbraw/zinc/99/72/93/602997293.db2.gz OWOXFBJSKFNLME-SECBINFHSA-N -1 0 388.218 2.769 20 5 GFBDRM 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ZINC000829217494 603181671 /nfs/dbraw/zinc/18/16/71/603181671.db2.gz SSKSFUFAUCSUSA-LLVKDONJSA-N -1 0 389.364 2.950 20 5 GFBDRM O=C([O-])NC[C@@H]1CCCC[C@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000832520882 603198604 /nfs/dbraw/zinc/19/86/04/603198604.db2.gz HKUYDEXHQLSHBT-GXTWGEPZSA-N -1 0 376.413 2.725 20 5 GFBDRM CC(C)NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000824381053 603199125 /nfs/dbraw/zinc/19/91/25/603199125.db2.gz DJUDZMLGXAGIMI-ZIAGYGMSSA-N -1 0 378.429 2.971 20 5 GFBDRM CC(C)NC(=O)c1ccc(N[C@H]2CCCC[C@@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000824381050 603199232 /nfs/dbraw/zinc/19/92/32/603199232.db2.gz DJUDZMLGXAGIMI-KGLIPLIRSA-N -1 0 378.429 2.971 20 5 GFBDRM COc1cc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)c([N+](=O)[O-])cc1OC ZINC000737849881 603451761 /nfs/dbraw/zinc/45/17/61/603451761.db2.gz WRFDSYPUSXTOBB-UHFFFAOYSA-N -1 0 389.364 2.674 20 5 GFBDRM Cc1c(C(=O)Oc2cccc(NC(=O)[O-])c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000829860395 603477975 /nfs/dbraw/zinc/47/79/75/603477975.db2.gz YUSBQCVQYNZQKL-UHFFFAOYSA-N -1 0 383.320 2.793 20 5 GFBDRM CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)NC(=O)[O-] ZINC000826552173 603732586 /nfs/dbraw/zinc/73/25/86/603732586.db2.gz BKTJSSBDJHSNAU-UHFFFAOYSA-N -1 0 382.373 2.676 20 5 GFBDRM CN(CC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1)C(=O)[O-] ZINC000828253057 603774566 /nfs/dbraw/zinc/77/45/66/603774566.db2.gz GWRXVHTTWSBFIH-UHFFFAOYSA-N -1 0 384.820 2.780 20 5 GFBDRM C[C@H](OC(=O)C(C)(C)C(C)(C)NC(=O)[O-])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000825534629 603777782 /nfs/dbraw/zinc/77/77/82/603777782.db2.gz CQINCXRZFKCGHX-JTQLQIEISA-N -1 0 381.385 2.537 20 5 GFBDRM CC(C)NC(=O)c1ccc(N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000824372822 604049985 /nfs/dbraw/zinc/04/99/85/604049985.db2.gz FJLVLWSSVXFMOM-GXTWGEPZSA-N -1 0 378.429 2.606 20 5 GFBDRM CCOC(=O)C(C)(C)n1cc(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000829817188 604276203 /nfs/dbraw/zinc/27/62/03/604276203.db2.gz CBFGITGXYXEDGQ-VURMDHGXSA-N -1 0 388.380 2.931 20 5 GFBDRM COc1ccc(CNC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000829370476 604314883 /nfs/dbraw/zinc/31/48/83/604314883.db2.gz CPYNBNXHKMUSBI-TZMCWYRMSA-N -1 0 379.413 2.636 20 5 GFBDRM O=C([O-])CCc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 ZINC000833240453 604347936 /nfs/dbraw/zinc/34/79/36/604347936.db2.gz JRUSWDWZTFDRRJ-UHFFFAOYSA-N -1 0 390.421 2.921 20 5 GFBDRM Cc1cc(S(=O)(=O)N(CCCC(=O)[O-])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000547922923 604363284 /nfs/dbraw/zinc/36/32/84/604363284.db2.gz YNUMVTORJXGUMJ-UHFFFAOYSA-N -1 0 392.433 2.959 20 5 GFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(CCC(=O)[O-])CC(C)C ZINC000776678333 604407434 /nfs/dbraw/zinc/40/74/34/604407434.db2.gz LDTYIJGPQMAXMW-UHFFFAOYSA-N -1 0 378.834 2.678 20 5 GFBDRM Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832941640 604420098 /nfs/dbraw/zinc/42/00/98/604420098.db2.gz RBXBRMOYSPXVNP-INIZCTEOSA-N -1 0 399.403 2.810 20 5 GFBDRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000825378187 604455037 /nfs/dbraw/zinc/45/50/37/604455037.db2.gz SJKFPKADIKUWIR-LLVKDONJSA-N -1 0 391.355 2.758 20 5 GFBDRM COc1cc(CCNC(=O)Nc2cc(C(=O)[O-])cs2)c([N+](=O)[O-])cc1OC ZINC000831983092 604507136 /nfs/dbraw/zinc/50/71/36/604507136.db2.gz IUDUVFYDGACMQS-UHFFFAOYSA-N -1 0 395.393 2.736 20 5 GFBDRM C[C@@H]1CC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@@H](C)O1 ZINC000833600596 604509975 /nfs/dbraw/zinc/50/99/75/604509975.db2.gz MDNAOZHNMQALTP-GHMZBOCLSA-N -1 0 382.438 2.847 20 5 GFBDRM COC(=O)c1oc([C@@H](C)OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C ZINC000831470060 604545807 /nfs/dbraw/zinc/54/58/07/604545807.db2.gz CVUOBOLGPGRWKH-SECBINFHSA-N -1 0 377.305 2.899 20 5 GFBDRM CC1CCN(c2ccc(C(=O)N3CCC[C@H]3CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000263014340 604593636 /nfs/dbraw/zinc/59/36/36/604593636.db2.gz SKIZFUIVXIANGV-HNNXBMFYSA-N -1 0 375.425 2.910 20 5 GFBDRM 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CCc1ccc(C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000539569260 604852524 /nfs/dbraw/zinc/85/25/24/604852524.db2.gz ICAFTVQIBLYDBP-INIZCTEOSA-N -1 0 376.340 2.558 20 5 GFBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccccc1 ZINC000761641740 604856737 /nfs/dbraw/zinc/85/67/37/604856737.db2.gz IISHUWVLQUJGAM-OTYXRUKQSA-N -1 0 386.389 2.791 20 5 GFBDRM O=C([O-])N1CCC[C@H](N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000831987689 604886196 /nfs/dbraw/zinc/88/61/96/604886196.db2.gz XOQNOFMOAQHMJT-INIZCTEOSA-N -1 0 384.392 2.775 20 5 GFBDRM COC(=O)c1cc([N+](=O)[O-])c(N2CCC(CN(C)C(=O)[O-])CC2)cc1Cl ZINC000828761239 604887899 /nfs/dbraw/zinc/88/78/99/604887899.db2.gz QTNSXFHOWAJULQ-UHFFFAOYSA-N -1 0 385.804 2.861 20 5 GFBDRM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000833552227 604918905 /nfs/dbraw/zinc/91/89/05/604918905.db2.gz ZECUJNMOYIRSIO-GWCFXTLKSA-N -1 0 378.410 2.598 20 5 GFBDRM 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O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1 ZINC000815003893 660100814 /nfs/dbraw/zinc/10/08/14/660100814.db2.gz ORPITGUYPLUCHH-UHFFFAOYSA-N -1 0 389.748 2.774 20 5 GFBDRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000815711704 660129046 /nfs/dbraw/zinc/12/90/46/660129046.db2.gz XSLUXWJAOULXCG-QMMMGPOBSA-N -1 0 388.218 2.698 20 5 GFBDRM O=C([O-])C1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000841781466 661313099 /nfs/dbraw/zinc/31/30/99/661313099.db2.gz POGUOSKYFQEOBS-UHFFFAOYSA-N -1 0 397.236 2.823 20 5 GFBDRM Cc1c(CS(=O)(=O)[N-]C(=O)CCCc2ccsc2)cccc1[N+](=O)[O-] ZINC000842403835 661337145 /nfs/dbraw/zinc/33/71/45/661337145.db2.gz INYAQWMELSTFAC-UHFFFAOYSA-N -1 0 382.463 2.934 20 5 GFBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCC1 ZINC000842452552 661340289 /nfs/dbraw/zinc/34/02/89/661340289.db2.gz STEAPVYDAPFCDT-MRVPVSSYSA-N -1 0 380.344 2.855 20 5 GFBDRM CC(C)SCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 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Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)[O-] ZINC000833907487 605316689 /nfs/dbraw/zinc/31/66/89/605316689.db2.gz KGHKDLVIKWSAKI-SCLBCKFNSA-N -1 0 393.396 2.601 20 5 GFBDRM C[C@H](OC(=O)CN(C(=O)[O-])c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000825587519 605316924 /nfs/dbraw/zinc/31/69/24/605316924.db2.gz ZHIRDFMGBUSYFE-LBPRGKRZSA-N -1 0 387.348 2.650 20 5 GFBDRM CC(C)c1n[nH]c(C(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])c1[N+](=O)[O-] ZINC000824453607 605374074 /nfs/dbraw/zinc/37/40/74/605374074.db2.gz PXOYUZXSLMACPD-RYUDHWBXSA-N -1 0 379.417 2.578 20 5 GFBDRM O=C([O-])N[C@@H]1CCC[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@H]21 ZINC000834177864 605377021 /nfs/dbraw/zinc/37/70/21/605377021.db2.gz DAKPTHMVFPVGBK-IQJOONFLSA-N -1 0 385.218 2.625 20 5 GFBDRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000761924213 605401963 /nfs/dbraw/zinc/40/19/63/605401963.db2.gz QUDYNIBZPOCYLI-WDEREUQCSA-N -1 0 378.410 2.753 20 5 GFBDRM 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Cc1noc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n1 ZINC000830326703 660648779 /nfs/dbraw/zinc/64/87/79/660648779.db2.gz BHKNUKVOHJSWPF-YFKPBYRVSA-N -1 0 381.197 2.633 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC12CCSCC2 ZINC000835027137 660838536 /nfs/dbraw/zinc/83/85/36/660838536.db2.gz BMMNYRLDELYVGC-SNVBAGLBSA-N -1 0 390.870 2.586 20 5 GFBDRM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)C[C@@H]1C ZINC000835184023 660843972 /nfs/dbraw/zinc/84/39/72/660843972.db2.gz ZTOVKQDTHQXJHG-UTLUCORTSA-N -1 0 389.861 2.708 20 5 GFBDRM CC[C@H](CC(F)(F)F)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000835228773 660845932 /nfs/dbraw/zinc/84/59/32/660845932.db2.gz WZRPRLJKKGZSIV-LLVKDONJSA-N -1 0 382.360 2.562 20 5 GFBDRM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000125264393 654790074 /nfs/dbraw/zinc/79/00/74/654790074.db2.gz MALCYKHBVACXLJ-JTQLQIEISA-N -1 0 376.843 2.630 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCNc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000127107809 654824910 /nfs/dbraw/zinc/82/49/10/654824910.db2.gz GNAGLUGVQQSJOC-UHFFFAOYSA-N -1 0 383.451 2.580 20 5 GFBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)ccc1C(N)=O ZINC000130648902 654890905 /nfs/dbraw/zinc/89/09/05/654890905.db2.gz LNINPYSBBJVDCD-UHFFFAOYSA-N -1 0 383.813 2.765 20 5 GFBDRM CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000133516900 654965722 /nfs/dbraw/zinc/96/57/22/654965722.db2.gz MEYYDVJDXCVUKC-UHFFFAOYSA-N -1 0 377.850 2.708 20 5 GFBDRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269507171 655011848 /nfs/dbraw/zinc/01/18/48/655011848.db2.gz ZMEWJRUAFZEIFZ-UHFFFAOYSA-N -1 0 378.332 2.765 20 5 GFBDRM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1F ZINC000151435187 655051210 /nfs/dbraw/zinc/05/12/10/655051210.db2.gz MNQGBDVBRZPCHC-UHFFFAOYSA-N -1 0 386.788 2.690 20 5 GFBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)nc2)cc1[N+](=O)[O-] ZINC000152646618 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ZINC000734736380 655634019 /nfs/dbraw/zinc/63/40/19/655634019.db2.gz VWOKVYCUEBEZDW-UHFFFAOYSA-N -1 0 380.447 2.885 20 5 GFBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000735223687 655642421 /nfs/dbraw/zinc/64/24/21/655642421.db2.gz PYCLLPPEQPUINU-UHFFFAOYSA-N -1 0 397.718 2.714 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)CC[C@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000744011698 655734110 /nfs/dbraw/zinc/73/41/10/655734110.db2.gz BVAKWOSONFBBKS-GXSJLCMTSA-N -1 0 390.845 2.709 20 5 GFBDRM C[C@H](CCc1ccccc1F)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000744131361 655735442 /nfs/dbraw/zinc/73/54/42/655735442.db2.gz CRZWCAQNMXDIIF-SNVBAGLBSA-N -1 0 386.426 2.869 20 5 GFBDRM Cc1c(C(=O)[N-]S(=O)(=O)CCSc2ccccc2)cccc1[N+](=O)[O-] ZINC000744302430 655738744 /nfs/dbraw/zinc/73/87/44/655738744.db2.gz BBFBHGHDWCSUKF-UHFFFAOYSA-N -1 0 380.447 2.755 20 5 GFBDRM CCc1ncsc1C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000750311206 655813293 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563369168 /nfs/dbraw/zinc/36/91/68/563369168.db2.gz RCDYXWWKWSSYEG-UHFFFAOYSA-N -1 0 389.231 2.936 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000327950691 563460290 /nfs/dbraw/zinc/46/02/90/563460290.db2.gz BVXUZGRRPLPIJA-XYPYZODXSA-N -1 0 390.845 2.726 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCCC[C@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000392577861 563527008 /nfs/dbraw/zinc/52/70/08/563527008.db2.gz AJFVYDWOUXVSFB-ZFWWWQNUSA-N -1 0 390.845 2.868 20 5 GFBDRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000430080395 563532775 /nfs/dbraw/zinc/53/27/75/563532775.db2.gz OMUTXZRBEBSUIG-UHFFFAOYSA-N -1 0 381.439 2.858 20 5 GFBDRM CN1C(=O)Cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000432631732 563589114 /nfs/dbraw/zinc/58/91/14/563589114.db2.gz IEEQNXYBTRGYAN-UHFFFAOYSA-N -1 0 381.797 2.568 20 5 GFBDRM CC(=O)N1CCSc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)cc21 ZINC000363078024 563714273 /nfs/dbraw/zinc/71/42/73/563714273.db2.gz 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GFBDRM CCCCC(=O)N1CSC[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000544659762 564392324 /nfs/dbraw/zinc/39/23/24/564392324.db2.gz DNMRAMRRYHWQSN-LBPRGKRZSA-N -1 0 387.845 2.984 20 5 GFBDRM CN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000544938767 564404981 /nfs/dbraw/zinc/40/49/81/564404981.db2.gz LMTGWQZMXOLMQM-UHFFFAOYSA-N -1 0 390.826 2.829 20 5 GFBDRM CCn1cc(S(=O)(=O)[N-]c2nc3c(cccc3Cl)s2)c([N+](=O)[O-])n1 ZINC000479139631 564426692 /nfs/dbraw/zinc/42/66/92/564426692.db2.gz SPRUTYPCSGZGMD-UHFFFAOYSA-N -1 0 387.830 2.875 20 5 GFBDRM COc1cc([N+](=O)[O-])c(C(=O)N=c2cc(C(F)(F)F)[n-][nH]2)cc1SC ZINC000479719774 564448761 /nfs/dbraw/zinc/44/87/61/564448761.db2.gz TYOOXGIGMHELLE-UHFFFAOYSA-N -1 0 376.316 2.741 20 5 GFBDRM CCS[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000546268378 564452511 /nfs/dbraw/zinc/45/25/11/564452511.db2.gz YKVALAKIYZVECD-DGCLKSJQSA-N -1 0 388.467 2.636 20 5 GFBDRM CCS[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC000514860589 564460152 /nfs/dbraw/zinc/46/01/52/564460152.db2.gz MUXFHBUHUKWLHW-MNOVXSKESA-N -1 0 388.467 2.636 20 5 GFBDRM CCn1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3(C)C)c([N+](=O)[O-])n1 ZINC000515931440 564490441 /nfs/dbraw/zinc/49/04/41/564490441.db2.gz CZYKTJJFGQSYSB-UHFFFAOYSA-N -1 0 385.471 2.682 20 5 GFBDRM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480850076 564491364 /nfs/dbraw/zinc/49/13/64/564491364.db2.gz GUKNIKIBWVSTJB-PRHODGIISA-N -1 0 394.280 2.663 20 5 GFBDRM Cn1ncc2ccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc21 ZINC000570099526 564491527 /nfs/dbraw/zinc/49/15/27/564491527.db2.gz UKDFYHKDOBYXCY-UHFFFAOYSA-N -1 0 380.813 2.613 20 5 GFBDRM CC[C@H](C)[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000547905149 564519267 /nfs/dbraw/zinc/51/92/67/564519267.db2.gz CUSOKRLPYFSNJL-KOLSJAJHSA-N -1 0 394.496 2.528 20 5 GFBDRM 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Cn1cc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000740288646 602489261 /nfs/dbraw/zinc/48/92/61/602489261.db2.gz FEDPDVIVBBDEOL-HNNXBMFYSA-N -1 0 386.408 2.718 20 5 GFBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](CNC(=O)[O-])C1CCCCC1 ZINC000739714538 602637897 /nfs/dbraw/zinc/63/78/97/602637897.db2.gz ITCNZUSTJTYJIY-OAHLLOKOSA-N -1 0 378.429 2.953 20 5 GFBDRM O=C([O-])N1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000740424744 602644553 /nfs/dbraw/zinc/64/45/53/602644553.db2.gz NCKCREURPLDOSW-CQSZACIVSA-N -1 0 390.440 2.705 20 5 GFBDRM Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCCCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000740299835 602814157 /nfs/dbraw/zinc/81/41/57/602814157.db2.gz MVTAHYBPVNSRHF-CYBMUJFWSA-N -1 0 387.396 2.504 20 5 GFBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)N1C(=O)[O-] ZINC000739170537 602999657 /nfs/dbraw/zinc/99/96/57/602999657.db2.gz SICHGDNIGWJONR-IUCAKERBSA-N -1 0 386.202 2.570 20 5 GFBDRM CC(C)(CC(=O)OCc1ccc([N+](=O)[O-])cc1Br)NC(=O)[O-] ZINC000738737764 603006417 /nfs/dbraw/zinc/00/64/17/603006417.db2.gz XFSPYTXGMQDDGR-UHFFFAOYSA-N -1 0 375.175 2.837 20 5 GFBDRM CN(C[C@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000828206109 603287841 /nfs/dbraw/zinc/28/78/41/603287841.db2.gz LJECEFLKSFWDNX-SNVBAGLBSA-N -1 0 388.327 2.802 20 5 GFBDRM Cc1c(C(=O)N[C@@](C)(CNC(=O)[O-])CC(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000740041496 603293963 /nfs/dbraw/zinc/29/39/63/603293963.db2.gz PEIKOCFMCYVIAY-MRXNPFEDSA-N -1 0 382.373 2.614 20 5 GFBDRM C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1NC(=O)[O-] ZINC000739174395 603337970 /nfs/dbraw/zinc/33/79/70/603337970.db2.gz MXUNQQPQVJCVDU-MFKMUULPSA-N -1 0 390.421 2.837 20 5 GFBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000830137564 603551733 /nfs/dbraw/zinc/55/17/33/603551733.db2.gz DJEQYXRMBTXWDJ-SJORKVTESA-N -1 0 390.440 2.839 20 5 GFBDRM Cc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c(Cl)c1 ZINC000826292868 607642872 /nfs/dbraw/zinc/64/28/72/607642872.db2.gz PKMFOGWAGLUMQH-UHFFFAOYSA-N -1 0 395.784 2.504 20 5 GFBDRM C[C@@H](OC(=O)C[C@@H]1CCCN1C(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000825578345 603942053 /nfs/dbraw/zinc/94/20/53/603942053.db2.gz AFKYSQRCICNSIS-MFKMUULPSA-N -1 0 390.352 2.782 20 5 GFBDRM COc1cc(C(=O)Nc2cccc3c2CCN3C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000829088056 603943570 /nfs/dbraw/zinc/94/35/70/603943570.db2.gz UBJIMNHUNXBQQO-UHFFFAOYSA-N -1 0 387.348 2.905 20 5 GFBDRM Cc1ccc(S(=O)(=O)Nc2cccc3c2CCN3C(=O)[O-])cc1[N+](=O)[O-] ZINC000830421186 604014335 /nfs/dbraw/zinc/01/43/35/604014335.db2.gz LQMXBBFPPXGRNZ-UHFFFAOYSA-N -1 0 377.378 2.745 20 5 GFBDRM CCCC[C@@H](CNC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000826806708 604015766 /nfs/dbraw/zinc/01/57/66/604015766.db2.gz PSEKUYWHWAYZEC-VIFPVBQESA-N -1 0 388.218 2.914 20 5 GFBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738068009 604157622 /nfs/dbraw/zinc/15/76/22/604157622.db2.gz CWXHKJVWACWZSH-UHFFFAOYSA-N -1 0 388.380 2.735 20 5 GFBDRM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000831437954 604186435 /nfs/dbraw/zinc/18/64/35/604186435.db2.gz XJBLTWKILBAGLR-WBVHZDCISA-N -1 0 375.425 2.908 20 5 GFBDRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000825242848 604259770 /nfs/dbraw/zinc/25/97/70/604259770.db2.gz AVSONFMGYUWQOM-KGLIPLIRSA-N -1 0 390.440 2.703 20 5 GFBDRM O=C([O-])Cc1ccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000574396663 604363193 /nfs/dbraw/zinc/36/31/93/604363193.db2.gz GOCRWMNXNNLQRV-UHFFFAOYSA-N -1 0 390.417 2.575 20 5 GFBDRM O=C([O-])NC1(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000832194071 604420175 /nfs/dbraw/zinc/42/01/75/604420175.db2.gz LWVZXJUDNTYPDY-UHFFFAOYSA-N -1 0 385.332 2.553 20 5 GFBDRM Cn1ccnc1[C@@H](O)C1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000833057640 604472201 /nfs/dbraw/zinc/47/22/01/604472201.db2.gz FOCGZUDKAPOUJV-HNNXBMFYSA-N -1 0 394.815 2.630 20 5 GFBDRM C[C@@H](Oc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1)C(=O)[O-] ZINC000833542325 604518700 /nfs/dbraw/zinc/51/87/00/604518700.db2.gz UJEDTELPVCJUCW-OAHLLOKOSA-N -1 0 385.420 2.769 20 5 GFBDRM C[C@H](Oc1ccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1)C(=O)[O-] ZINC000833539236 604519776 /nfs/dbraw/zinc/51/97/76/604519776.db2.gz GQTDVKDSFRAKRP-HNNXBMFYSA-N -1 0 385.420 2.769 20 5 GFBDRM CCOc1cc(C(=O)Oc2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(=O)[O-] ZINC000833662662 604529034 /nfs/dbraw/zinc/52/90/34/604529034.db2.gz FIBSLJTWYVNVMH-UHFFFAOYSA-N -1 0 375.333 2.985 20 5 GFBDRM COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)c1 ZINC000832075020 604572336 /nfs/dbraw/zinc/57/23/36/604572336.db2.gz UDEDCRHJCLAORD-MRXNPFEDSA-N -1 0 391.332 2.603 20 5 GFBDRM COc1cc(OC)cc([C@@H](OC(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000832072539 604591418 /nfs/dbraw/zinc/59/14/18/604591418.db2.gz CRQVLXUKTYNSET-QGZVFWFLSA-N -1 0 375.333 2.524 20 5 GFBDRM Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833058781 604635705 /nfs/dbraw/zinc/63/57/05/604635705.db2.gz OQLREAMFZSVSFE-BONVTDFDSA-N -1 0 394.815 2.630 20 5 GFBDRM C[C@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1ccc(C(=O)[O-])o1 ZINC000833534331 604710003 /nfs/dbraw/zinc/71/00/03/604710003.db2.gz XPKJSEYFOGWKHO-LURJTMIESA-N -1 0 385.126 2.962 20 5 GFBDRM O=C([O-])c1ccc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1F ZINC000833351224 604888249 /nfs/dbraw/zinc/88/82/49/604888249.db2.gz JTJJNCBMPYHKML-ZIAGYGMSSA-N -1 0 377.328 2.969 20 5 GFBDRM CC(C)c1[nH]nc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000827097337 604896229 /nfs/dbraw/zinc/89/62/29/604896229.db2.gz KUADVOARGGKVHN-UHFFFAOYSA-N -1 0 376.369 2.937 20 5 GFBDRM O=C([O-])c1cccc(NC2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000833329794 604957716 /nfs/dbraw/zinc/95/77/16/604957716.db2.gz GWDPQSPABMFQBJ-UHFFFAOYSA-N -1 0 398.419 2.808 20 5 GFBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000611478708 604995379 /nfs/dbraw/zinc/99/53/79/604995379.db2.gz XIJOKJIANHNNIX-CYBMUJFWSA-N -1 0 386.408 2.744 20 5 GFBDRM C[C@@H](COc1ccccc1)Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000833518895 605036115 /nfs/dbraw/zinc/03/61/15/605036115.db2.gz KQYUWDNLXIPNDV-STQMWFEESA-N -1 0 387.392 2.677 20 5 GFBDRM CC(C)(NS(=O)(=O)c1cc(F)ccc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833460639 605044485 /nfs/dbraw/zinc/04/44/85/605044485.db2.gz KBPALWLBTQIQBH-UHFFFAOYSA-N -1 0 382.369 2.646 20 5 GFBDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000592980994 605142186 /nfs/dbraw/zinc/14/21/86/605142186.db2.gz LYZHLEYLBXUJMD-CYBMUJFWSA-N -1 0 393.403 2.951 20 5 GFBDRM CC(C)C[C@H](NC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000833492111 605149134 /nfs/dbraw/zinc/14/91/34/605149134.db2.gz IRPQNQAUTUVRTM-NSHDSACASA-N -1 0 377.319 2.641 20 5 GFBDRM 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O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000834150120 605487131 /nfs/dbraw/zinc/48/71/31/605487131.db2.gz LZNJVTCBQSWOJG-OAHLLOKOSA-N -1 0 391.811 2.786 20 5 GFBDRM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000834286783 605547869 /nfs/dbraw/zinc/54/78/69/605547869.db2.gz DDHMYUSZRNHWEL-KOLCDFICSA-N -1 0 385.323 2.553 20 5 GFBDRM O=C([O-])Nc1cccc(CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000834265344 605759303 /nfs/dbraw/zinc/75/93/03/605759303.db2.gz NLFHJTOLQJGBDF-UHFFFAOYSA-N -1 0 384.392 2.576 20 5 GFBDRM O=C([O-])Nc1cccc(CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000834269411 605800255 /nfs/dbraw/zinc/80/02/55/605800255.db2.gz YARNBCITOPVFLX-UHFFFAOYSA-N -1 0 391.311 2.548 20 5 GFBDRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000825831892 605858810 /nfs/dbraw/zinc/85/88/10/605858810.db2.gz OKNCFAGPPPXDBH-UONOGXRCSA-N -1 0 390.440 2.846 20 5 GFBDRM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000834252196 605876514 /nfs/dbraw/zinc/87/65/14/605876514.db2.gz XRDFFCCHRFQOIW-INIZCTEOSA-N -1 0 383.360 2.998 20 5 GFBDRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000834212941 605939115 /nfs/dbraw/zinc/93/91/15/605939115.db2.gz WOEAWPJYSQUOPQ-XJKSGUPXSA-N -1 0 376.413 2.705 20 5 GFBDRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000832239454 605942575 /nfs/dbraw/zinc/94/25/75/605942575.db2.gz IAASPHPBPFFDIB-AGUYFDCRSA-N -1 0 387.396 2.798 20 5 GFBDRM O=C(CC1CCN(C(=O)[O-])CC1)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000833987749 606090434 /nfs/dbraw/zinc/09/04/34/606090434.db2.gz LEXDHFRBIVCVNN-ZIAGYGMSSA-N -1 0 380.401 2.598 20 5 GFBDRM Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)[C@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000819088966 660246078 /nfs/dbraw/zinc/24/60/78/660246078.db2.gz GPZOGHUYODNKGY-NOZJJQNGSA-N -1 0 378.834 2.580 20 5 GFBDRM 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Cc1ccc2[nH]c(CNc3ccc(C(=O)N[C@H](C)C(=O)[O-])cc3[N+](=O)[O-])nc2c1 ZINC000832959697 600804800 /nfs/dbraw/zinc/80/48/00/600804800.db2.gz XXSDVUZBKGLIBG-LLVKDONJSA-N -1 0 397.391 2.595 20 5 GFBDRM COc1cc(OCC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)ccc1[N+](=O)[O-] ZINC000737902437 600846276 /nfs/dbraw/zinc/84/62/76/600846276.db2.gz LEKJENFHWYYPNQ-LBPRGKRZSA-N -1 0 386.360 2.587 20 5 GFBDRM Cc1sc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1C ZINC000833035152 600878104 /nfs/dbraw/zinc/87/81/04/600878104.db2.gz GEMZTZGXDJYOLK-VIFPVBQESA-N -1 0 391.405 2.787 20 5 GFBDRM COC(=O)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000831399083 600940832 /nfs/dbraw/zinc/94/08/32/600940832.db2.gz LJGSLKRHRABPEO-UHFFFAOYSA-N -1 0 390.373 2.810 20 5 GFBDRM CC(C)C[C@@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000826820709 600952528 /nfs/dbraw/zinc/95/25/28/600952528.db2.gz SWNGZFYIVZQICH-GFCCVEGCSA-N -1 0 394.409 2.531 20 5 GFBDRM COC(=O)c1cc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000831309670 600977678 /nfs/dbraw/zinc/97/76/78/600977678.db2.gz PWIRWGUEMYPIIL-UHFFFAOYSA-N -1 0 380.259 2.610 20 5 GFBDRM O=C([O-])CCCc1nc(COc2ccc(Br)cc2[N+](=O)[O-])no1 ZINC000739701782 600987491 /nfs/dbraw/zinc/98/74/91/600987491.db2.gz GLIMXQGSEFIQRH-UHFFFAOYSA-N -1 0 386.158 2.727 20 5 GFBDRM Cc1c([N+](=O)[O-])cc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000832855834 601154130 /nfs/dbraw/zinc/15/41/30/601154130.db2.gz FBRCPRSVJJWRBB-UHFFFAOYSA-N -1 0 377.284 2.682 20 5 GFBDRM Cc1noc([C@@H](OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000833019035 601174363 /nfs/dbraw/zinc/17/43/63/601174363.db2.gz BOXWUGUADLARMW-HNNXBMFYSA-N -1 0 383.316 2.931 20 5 GFBDRM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000828151649 601200430 /nfs/dbraw/zinc/20/04/30/601200430.db2.gz XOMSJHKYDNNFKU-GOEBONIOSA-N -1 0 397.431 2.867 20 5 GFBDRM COc1cc(N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)ccc1[N+](=O)[O-] ZINC000832027117 601201041 /nfs/dbraw/zinc/20/10/41/601201041.db2.gz UOIFAOHCEOEPGF-NSHDSACASA-N -1 0 377.378 2.581 20 5 GFBDRM O=C([O-])c1ccc(OCCNc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000833321138 601225708 /nfs/dbraw/zinc/22/57/08/601225708.db2.gz JFLKIDKMTDDLJJ-UHFFFAOYSA-N -1 0 382.170 2.941 20 5 GFBDRM CSc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000832790128 601387508 /nfs/dbraw/zinc/38/75/08/601387508.db2.gz GYMSEFJBNQTCSC-UHFFFAOYSA-N -1 0 382.419 2.840 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1C ZINC000584326531 601387886 /nfs/dbraw/zinc/38/78/86/601387886.db2.gz NLGKMRDWAACQLW-HNNXBMFYSA-N -1 0 398.824 2.969 20 5 GFBDRM Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000832920601 601495158 /nfs/dbraw/zinc/49/51/58/601495158.db2.gz FNICMTFGQLAQIK-GFCCVEGCSA-N -1 0 385.376 2.726 20 5 GFBDRM O=C([O-])CCN(Cc1ccncc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000833234467 601517542 /nfs/dbraw/zinc/51/75/42/601517542.db2.gz PLZZPZCGWHUDJG-UHFFFAOYSA-N -1 0 398.419 2.707 20 5 GFBDRM COc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000831871239 601582402 /nfs/dbraw/zinc/58/24/02/601582402.db2.gz HUZCVSPYFMFJRW-HNNXBMFYSA-N -1 0 394.767 2.821 20 5 GFBDRM C[C@H](Nc1ccc(C(=O)N(CC(=O)[O-])C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000827768168 601635410 /nfs/dbraw/zinc/63/54/10/601635410.db2.gz NONKNDCEIWNBHQ-LBPRGKRZSA-N -1 0 384.392 2.852 20 5 GFBDRM Cc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1OCC(=O)[O-] ZINC000832867344 601681778 /nfs/dbraw/zinc/68/17/78/601681778.db2.gz DOBWWTJMGQBTJU-UHFFFAOYSA-N -1 0 387.344 2.715 20 5 GFBDRM CC1(C)Cc2cc(S(=O)(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)ccc2O1 ZINC000485207418 601830657 /nfs/dbraw/zinc/83/06/57/601830657.db2.gz MGKXLWLNSZSWKC-UHFFFAOYSA-N -1 0 392.389 2.807 20 5 GFBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000595883113 601844077 /nfs/dbraw/zinc/84/40/77/601844077.db2.gz VIEFESWTRCMQAS-GFCCVEGCSA-N -1 0 379.413 2.507 20 5 GFBDRM COc1cc(C(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000739852023 601852426 /nfs/dbraw/zinc/85/24/26/601852426.db2.gz QNMPXEQXSFFXPQ-UONOGXRCSA-N -1 0 377.397 2.598 20 5 GFBDRM CC[C@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000828907531 601864147 /nfs/dbraw/zinc/86/41/47/601864147.db2.gz WNGLXBDFLWWGLG-HNNXBMFYSA-N -1 0 389.339 2.638 20 5 GFBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739044332 601893389 /nfs/dbraw/zinc/89/33/89/601893389.db2.gz AFPBWDWZFHKOGG-PWSUYJOCSA-N -1 0 385.804 2.616 20 5 GFBDRM O=C([O-])N1CCC(C(=O)NCc2cccc([N+](=O)[O-])c2)(c2ccccc2)CC1 ZINC000740490351 601920395 /nfs/dbraw/zinc/92/03/95/601920395.db2.gz CHTFXXGREWDGDP-UHFFFAOYSA-N -1 0 383.404 2.923 20 5 GFBDRM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000833123162 602063243 /nfs/dbraw/zinc/06/32/43/602063243.db2.gz XGIZBDZPEKKMLS-UHFFFAOYSA-N -1 0 396.359 2.707 20 5 GFBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1C ZINC000765082398 602199943 /nfs/dbraw/zinc/19/99/43/602199943.db2.gz WIIKAHOQMVGBFO-CYBMUJFWSA-N -1 0 390.417 2.979 20 5 GFBDRM O=C([O-])N1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c2ccccc2C1 ZINC000740526799 602242063 /nfs/dbraw/zinc/24/20/63/602242063.db2.gz PFLIAOZNWICSJB-UHFFFAOYSA-N -1 0 399.359 2.506 20 5 GFBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCc2ccc(N3CCOCC3)nc2)cc1Cl ZINC000833307489 602250816 /nfs/dbraw/zinc/25/08/16/602250816.db2.gz OTOIBWGDFPZBMB-UHFFFAOYSA-N -1 0 392.799 2.790 20 5 GFBDRM COc1ccc(CNC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1[N+](=O)[O-] ZINC000739904968 602277114 /nfs/dbraw/zinc/27/71/14/602277114.db2.gz ZBBVGURQNYQBLK-UHFFFAOYSA-N -1 0 386.364 2.966 20 5 GFBDRM C[C@@H](CC(=O)[O-])C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000827326632 602281585 /nfs/dbraw/zinc/28/15/85/602281585.db2.gz ZKCJPLCXJVMIHQ-YUMQZZPRSA-N -1 0 392.286 2.595 20 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CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000738806646 602454416 /nfs/dbraw/zinc/45/44/16/602454416.db2.gz JBDKDDNJVQVTBH-CQSZACIVSA-N -1 0 378.429 2.607 20 5 GFBDRM CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739359907 602544548 /nfs/dbraw/zinc/54/45/48/602544548.db2.gz PPUAOZKQJCYFGL-AWEZNQCLSA-N -1 0 375.385 2.609 20 5 GFBDRM CCCN(C(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000739344613 602644552 /nfs/dbraw/zinc/64/45/52/602644552.db2.gz UEDGQKHKUYHSRC-GFCCVEGCSA-N -1 0 395.412 2.607 20 5 GFBDRM O=C([O-])NCCOC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000739977140 602777901 /nfs/dbraw/zinc/77/79/01/602777901.db2.gz KKMQXUYSWJGDPI-UHFFFAOYSA-N -1 0 389.151 2.512 20 5 GFBDRM C[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000739042160 602884753 /nfs/dbraw/zinc/88/47/53/602884753.db2.gz GZKYEOGHVIWZQZ-SECBINFHSA-N -1 0 389.320 2.574 20 5 GFBDRM O=C([O-])N[C@@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000740689528 602892271 /nfs/dbraw/zinc/89/22/71/602892271.db2.gz YGAZOZOAHOHQIQ-OAHLLOKOSA-N -1 0 388.332 2.513 20 5 GFBDRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000739967132 602938619 /nfs/dbraw/zinc/93/86/19/602938619.db2.gz APQQISBGOIKRFV-OAHLLOKOSA-N -1 0 378.312 2.795 20 5 GFBDRM C[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)N1C(=O)[O-] ZINC000739147673 602945350 /nfs/dbraw/zinc/94/53/50/602945350.db2.gz OEJRRZCFIJODPU-IUCAKERBSA-N -1 0 388.327 2.801 20 5 GFBDRM C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H](C)N1C(=O)[O-] ZINC000739147675 602945530 /nfs/dbraw/zinc/94/55/30/602945530.db2.gz OEJRRZCFIJODPU-RKDXNWHRSA-N -1 0 388.327 2.801 20 5 GFBDRM C[C@H](CN(C)C(=O)[O-])c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000738907025 603010111 /nfs/dbraw/zinc/01/01/11/603010111.db2.gz FDDWZSYDKBUWDS-LLVKDONJSA-N -1 0 375.385 2.958 20 5 GFBDRM 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C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000825271639 604259498 /nfs/dbraw/zinc/25/94/98/604259498.db2.gz GBKQIYRSOOTSBO-WCQYABFASA-N -1 0 375.385 2.513 20 5 GFBDRM CCC1(CC)[C@H](Nc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1OC ZINC000829056090 604278106 /nfs/dbraw/zinc/27/81/06/604278106.db2.gz QOFCEEBTBKLQOP-HFBAOOFYSA-N -1 0 393.440 2.803 20 5 GFBDRM Cc1ccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1C(=O)[O-] ZINC000574914985 604363003 /nfs/dbraw/zinc/36/30/03/604363003.db2.gz VYZWBLNFEOAIRK-UHFFFAOYSA-N -1 0 390.417 2.955 20 5 GFBDRM COc1cc(OC)cc([C@@H](OC(=O)c2ccc([N+](=O)[O-])c(C)c2)C(=O)[O-])c1 ZINC000832080887 604546080 /nfs/dbraw/zinc/54/60/80/604546080.db2.gz SXXPZZCUYUOLFG-MRXNPFEDSA-N -1 0 375.333 2.903 20 5 GFBDRM CCOc1cc(C(=O)NCCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC000262110422 604547497 /nfs/dbraw/zinc/54/74/97/604547497.db2.gz FKOKCWXJKUSULW-UHFFFAOYSA-N -1 0 388.376 2.673 20 5 GFBDRM 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Cc1cc(N2CCN(C3=NCC(C)(C)S3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891187 604809270 /nfs/dbraw/zinc/80/92/70/604809270.db2.gz NUBWUCXWCSYTIT-UHFFFAOYSA-N -1 0 378.454 2.605 20 5 GFBDRM C[C@@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CCO1 ZINC000833595523 604819150 /nfs/dbraw/zinc/81/91/50/604819150.db2.gz KEIPLDIQNGFEEI-NEPJUHHUSA-N -1 0 382.438 2.707 20 5 GFBDRM O=C([O-])c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1F ZINC000833111554 604850890 /nfs/dbraw/zinc/85/08/90/604850890.db2.gz MBXBFKSWGHGLRA-UHFFFAOYSA-N -1 0 396.714 2.881 20 5 GFBDRM O=C([O-])c1ccc(C(=O)O[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1F ZINC000833351222 604888546 /nfs/dbraw/zinc/88/85/46/604888546.db2.gz JTJJNCBMPYHKML-UONOGXRCSA-N -1 0 377.328 2.969 20 5 GFBDRM C[C@@H](c1ccc(F)c(F)c1)N(C)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000833547460 605036044 /nfs/dbraw/zinc/03/60/44/605036044.db2.gz DLMXAYSHTVLITG-JTQLQIEISA-N -1 0 393.346 2.885 20 5 GFBDRM CN(Cc1ccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1)C(=O)[O-] ZINC000833695386 605077969 /nfs/dbraw/zinc/07/79/69/605077969.db2.gz NNEJMUWDEPZMLJ-QGZVFWFLSA-N -1 0 398.375 2.836 20 5 GFBDRM C[C@@]1(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-] ZINC000833569072 605083828 /nfs/dbraw/zinc/08/38/28/605083828.db2.gz INJQSDCLBHJYMU-CXAGYDPISA-N -1 0 379.369 2.585 20 5 GFBDRM Cc1cccc(OS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1[N+](=O)[O-] ZINC000833753533 605144263 /nfs/dbraw/zinc/14/42/63/605144263.db2.gz RIXUVVYOIGTLBN-UHFFFAOYSA-N -1 0 377.374 2.787 20 5 GFBDRM Cc1cc(N2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)nc(C(C)C)n1 ZINC000581013372 605168722 /nfs/dbraw/zinc/16/87/22/605168722.db2.gz FBFRNDMOYXIPLS-UHFFFAOYSA-N -1 0 385.424 2.841 20 5 GFBDRM CN(C[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000828213001 605216142 /nfs/dbraw/zinc/21/61/42/605216142.db2.gz WHPLQHBGFXCAPI-NSHDSACASA-N -1 0 386.202 2.572 20 5 GFBDRM 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GFBDRM C[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)[O-] ZINC000739137290 602943482 /nfs/dbraw/zinc/94/34/82/602943482.db2.gz QFDIAYDXCHIPMR-BBRMVZONSA-N -1 0 378.429 2.605 20 5 GFBDRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000740584344 603004045 /nfs/dbraw/zinc/00/40/45/603004045.db2.gz YUBUBANOPPSBDZ-KGLIPLIRSA-N -1 0 375.337 2.729 20 5 GFBDRM C[C@H]1CCCN(c2ccc(C(=O)N[C@@H](CNC(=O)[O-])C3CC3)cc2[N+](=O)[O-])C1 ZINC000739113170 603047432 /nfs/dbraw/zinc/04/74/32/603047432.db2.gz NIDIZMGQZLMPEY-WFASDCNBSA-N -1 0 390.440 2.607 20 5 GFBDRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000738766686 603049949 /nfs/dbraw/zinc/04/99/49/603049949.db2.gz OFFPHFBPRISSHY-AWEZNQCLSA-N -1 0 388.218 2.769 20 5 GFBDRM CN(C[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000739651754 603149022 /nfs/dbraw/zinc/14/90/22/603149022.db2.gz WLRSDANWZWLCRS-OAHLLOKOSA-N -1 0 378.429 2.559 20 5 GFBDRM 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C[C@@](CNC(=O)[O-])(NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000824946747 603537909 /nfs/dbraw/zinc/53/79/09/603537909.db2.gz SPWVEHKQTIUDDI-AWEZNQCLSA-N -1 0 375.303 2.780 20 5 GFBDRM C[C@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1CNC(=O)[O-] ZINC000825931358 603730460 /nfs/dbraw/zinc/73/04/60/603730460.db2.gz JNMCHHCEXLXDDW-FZMZJTMJSA-N -1 0 375.385 2.513 20 5 GFBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829510421 603853581 /nfs/dbraw/zinc/85/35/81/603853581.db2.gz IHKGUFCZDSOXLO-QXMXGUDHSA-N -1 0 377.397 2.531 20 5 GFBDRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000832331636 603863836 /nfs/dbraw/zinc/86/38/36/603863836.db2.gz HRNWXOOGBSVWOX-NEPJUHHUSA-N -1 0 390.352 2.514 20 5 GFBDRM Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](NC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000829888848 603927872 /nfs/dbraw/zinc/92/78/72/603927872.db2.gz JOASCDXCNLMNOI-ZDUSSCGKSA-N -1 0 388.336 2.550 20 5 GFBDRM 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O=C([O-])C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000540711853 601620613 /nfs/dbraw/zinc/62/06/13/601620613.db2.gz FLYPUJQSSKYITN-HNNXBMFYSA-N -1 0 378.768 2.959 20 5 GFBDRM C[C@H](CS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cc1ccccc1)C(=O)[O-] ZINC000827571694 601773132 /nfs/dbraw/zinc/77/31/32/601773132.db2.gz PLHCJVGQNUGMKO-GFCCVEGCSA-N -1 0 379.390 2.615 20 5 GFBDRM C[C@@H](CS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)C(=O)[O-] ZINC000827532502 601796975 /nfs/dbraw/zinc/79/69/75/601796975.db2.gz IIWASVUVMYONFD-ZDUSSCGKSA-N -1 0 378.406 2.652 20 5 GFBDRM O=C([O-])CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000777373330 601814137 /nfs/dbraw/zinc/81/41/37/601814137.db2.gz SAGVPXQUAZUXPJ-UHFFFAOYSA-N -1 0 375.425 2.912 20 5 GFBDRM C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738960225 601871759 /nfs/dbraw/zinc/87/17/59/601871759.db2.gz JECUNRRZKNFLIR-UONOGXRCSA-N -1 0 378.429 2.682 20 5 GFBDRM 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ZINC000830138756 604227913 /nfs/dbraw/zinc/22/79/13/604227913.db2.gz ZZQSSCVPCLYNGQ-UHFFFAOYSA-N -1 0 390.440 2.696 20 5 GFBDRM CC(C)C(=O)NC[C@@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000826658560 604263503 /nfs/dbraw/zinc/26/35/03/604263503.db2.gz RIUXGFGAWJMAPI-NSHDSACASA-N -1 0 383.832 2.935 20 5 GFBDRM Cc1nc(N2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000516572209 604274399 /nfs/dbraw/zinc/27/43/99/604274399.db2.gz DYMUERLTAVRFNJ-KRWDZBQOSA-N -1 0 390.827 2.900 20 5 GFBDRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000577116633 604275010 /nfs/dbraw/zinc/27/50/10/604275010.db2.gz CIFIWTNGNCSFJI-OAHLLOKOSA-N -1 0 376.800 2.591 20 5 GFBDRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000833226623 604396034 /nfs/dbraw/zinc/39/60/34/604396034.db2.gz LNELNGOKZOHGJR-UHFFFAOYSA-N -1 0 386.360 2.831 20 5 GFBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H](NC(=O)[O-])C3)cc2[N+](=O)[O-])C1 ZINC000739079812 604460521 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DXICFCGIYXUDIO-SECBINFHSA-N -1 0 398.359 2.639 20 5 GFBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000833418077 604983570 /nfs/dbraw/zinc/98/35/70/604983570.db2.gz XTTPRFRDYYLZLO-CYBMUJFWSA-N -1 0 379.413 2.506 20 5 GFBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000611478689 604992484 /nfs/dbraw/zinc/99/24/84/604992484.db2.gz UVKOTSNEDGTFLX-AWEZNQCLSA-N -1 0 386.408 2.744 20 5 GFBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000619639455 605000436 /nfs/dbraw/zinc/00/04/36/605000436.db2.gz LJNKZTUPCONMPG-CYBMUJFWSA-N -1 0 386.408 2.744 20 5 GFBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC(C)(C)O1 ZINC000833624608 605020076 /nfs/dbraw/zinc/02/00/76/605020076.db2.gz UYPRDJOTIGMUOI-NSHDSACASA-N -1 0 382.438 2.801 20 5 GFBDRM O=C([O-])c1ccc(OC[C@H](O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1 ZINC000833781630 605026622 /nfs/dbraw/zinc/02/66/22/605026622.db2.gz DZXOOYSCPDNILR-QGZVFWFLSA-N -1 0 383.360 2.596 20 5 GFBDRM CC(C)[C@H](Nc1ccc(C=CC(=O)[O-])cc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000833472192 605061750 /nfs/dbraw/zinc/06/17/50/605061750.db2.gz WKKJGGZIGNPHSI-SDQPKGBYSA-N -1 0 399.367 2.670 20 5 GFBDRM CCC(CC)[C@H]1C[C@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000833642342 605295029 /nfs/dbraw/zinc/29/50/29/605295029.db2.gz LVKFXZSKBKRLAU-RHSMWYFYSA-N -1 0 393.440 2.805 20 5 GFBDRM C[C@@H](OC(=O)CN(C(=O)[O-])c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000825584365 605316278 /nfs/dbraw/zinc/31/62/78/605316278.db2.gz AQXYVNXRNVSVMG-GFCCVEGCSA-N -1 0 387.348 2.650 20 5 GFBDRM CC[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1NC(=O)[O-] ZINC000833846577 605319950 /nfs/dbraw/zinc/31/99/50/605319950.db2.gz HTUHMZUJHGRCJK-QMTHXVAHSA-N -1 0 384.820 2.826 20 5 GFBDRM O=C([O-])N[C@@H]1CCC[C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000834183309 605370816 /nfs/dbraw/zinc/37/08/16/605370816.db2.gz LEOAPSZCWNNDEH-JMJZKYOTSA-N -1 0 385.218 2.625 20 5 GFBDRM CC(=O)c1cc(C)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833401170 605389202 /nfs/dbraw/zinc/38/92/02/605389202.db2.gz SIEDQGTUQYGTHU-UHFFFAOYSA-N -1 0 379.346 2.572 20 5 GFBDRM Cc1ccc([C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000761733744 605396455 /nfs/dbraw/zinc/39/64/55/605396455.db2.gz FNHWCCPKOXSQOI-LBPRGKRZSA-N -1 0 386.389 2.506 20 5 GFBDRM Cc1ccc([C@H](C)NC(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000830250768 605408873 /nfs/dbraw/zinc/40/88/73/605408873.db2.gz KCWUNMYFMMXNTP-SWLSCSKDSA-N -1 0 376.413 2.891 20 5 GFBDRM C[C@H](NC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000833811474 605408944 /nfs/dbraw/zinc/40/89/44/605408944.db2.gz CJLFKGWUILTQHN-VIRABCJISA-N -1 0 376.413 2.734 20 5 GFBDRM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000834174303 605470489 /nfs/dbraw/zinc/47/04/89/605470489.db2.gz IBEOYJJLZJUZEB-KCPJHIHWSA-N -1 0 379.438 2.582 20 5 GFBDRM 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C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000115312911 655234445 /nfs/dbraw/zinc/23/44/45/655234445.db2.gz ROEWTRAEQHTATP-HSZRJFAPSA-N -1 0 388.854 2.928 20 5 GFBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(N)=O)c(F)c2)cc1[N+](=O)[O-] ZINC000176671356 655251766 /nfs/dbraw/zinc/25/17/66/655251766.db2.gz IRTMZDVKRWOGKD-UHFFFAOYSA-N -1 0 387.776 2.595 20 5 GFBDRM CCC(CC)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000176827472 655257222 /nfs/dbraw/zinc/25/72/22/655257222.db2.gz QLNAJAGFUSMYDO-UHFFFAOYSA-N -1 0 379.232 2.598 20 5 GFBDRM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCCC2)no1 ZINC000116984138 655258106 /nfs/dbraw/zinc/25/81/06/655258106.db2.gz HKBWUNGBDMWYQF-UHFFFAOYSA-N -1 0 386.817 2.687 20 5 GFBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1 ZINC000117739395 655267459 /nfs/dbraw/zinc/26/74/59/655267459.db2.gz YRPPJQGIXDSQPQ-UHFFFAOYSA-N -1 0 379.785 2.834 20 5 GFBDRM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)CCO1 ZINC000120024021 655325028 /nfs/dbraw/zinc/32/50/28/655325028.db2.gz JIMLFELXVUERGK-LLVKDONJSA-N -1 0 383.451 2.682 20 5 GFBDRM COC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000120249135 655332508 /nfs/dbraw/zinc/33/25/08/655332508.db2.gz RDCRDBFXZGROCN-LBPRGKRZSA-N -1 0 378.378 2.601 20 5 GFBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000292926914 655357293 /nfs/dbraw/zinc/35/72/93/655357293.db2.gz YNQFOTOUXLBEHS-NSHDSACASA-N -1 0 395.384 2.817 20 5 GFBDRM Cc1csc([C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C(F)(F)F)n1 ZINC000297062007 655369231 /nfs/dbraw/zinc/36/92/31/655369231.db2.gz MMMPJFXBOWDSTN-JTQLQIEISA-N -1 0 381.357 2.942 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](CO)C1CCCC1 ZINC000578560879 655481637 /nfs/dbraw/zinc/48/16/37/655481637.db2.gz HENJNVKVZQVMLG-NSHDSACASA-N -1 0 383.253 2.731 20 5 GFBDRM C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1CCC(=O)[O-] ZINC000579681234 655502325 /nfs/dbraw/zinc/50/23/25/655502325.db2.gz XUIPBOMRNGHENW-GHMZBOCLSA-N -1 0 390.845 2.760 20 5 GFBDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000728762527 655558800 /nfs/dbraw/zinc/55/88/00/655558800.db2.gz PLXBKCKCSFHQRH-UHFFFAOYSA-N -1 0 384.797 2.684 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731548177 655584394 /nfs/dbraw/zinc/58/43/94/655584394.db2.gz VOQNNYMVEJYNGZ-UHFFFAOYSA-N -1 0 376.724 2.645 20 5 GFBDRM Cc1ccc(OCCC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c(C)c1 ZINC000732622252 655599184 /nfs/dbraw/zinc/59/91/84/655599184.db2.gz SJFQEJRXEFCZOM-UHFFFAOYSA-N -1 0 384.435 2.547 20 5 GFBDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C(N)=O)cc1F ZINC000736544243 655664540 /nfs/dbraw/zinc/66/45/40/655664540.db2.gz KKFZMHXLPKCBEV-UHFFFAOYSA-N -1 0 387.776 2.595 20 5 GFBDRM CC(=O)c1csc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000741107807 655702802 /nfs/dbraw/zinc/70/28/02/655702802.db2.gz NAPPJDXLOMTGNW-UHFFFAOYSA-N -1 0 388.810 2.631 20 5 GFBDRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000751267388 655824360 /nfs/dbraw/zinc/82/43/60/655824360.db2.gz RSRHRTJFDKSRQQ-UHFFFAOYSA-N -1 0 388.760 2.975 20 5 GFBDRM CC1(O)CCC([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000751478799 655829414 /nfs/dbraw/zinc/82/94/14/655829414.db2.gz KASMZGKMCSHMDD-UHFFFAOYSA-N -1 0 383.253 2.874 20 5 GFBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(OC)n1 ZINC000752196115 655840200 /nfs/dbraw/zinc/84/02/00/655840200.db2.gz SRWCTWRMGYKHBW-UHFFFAOYSA-N -1 0 387.801 2.770 20 5 GFBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2cc(Cl)ccc2C)ccc1[N+](=O)[O-] ZINC000753559593 655855930 /nfs/dbraw/zinc/85/59/30/655855930.db2.gz QGJKALWUOLAOGS-UHFFFAOYSA-N -1 0 384.797 2.684 20 5 GFBDRM COc1cc(S(=O)(=O)[N-]C(=O)CCCSC(C)(C)C)ccc1[N+](=O)[O-] ZINC000754542489 655869394 /nfs/dbraw/zinc/86/93/94/655869394.db2.gz BKHRJSACDYIISH-UHFFFAOYSA-N -1 0 390.483 2.720 20 5 GFBDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)c(C)c2)c([N+](=O)[O-])c1 ZINC000759533149 655956380 /nfs/dbraw/zinc/95/63/80/655956380.db2.gz ZFQPMBVWSFICCG-UHFFFAOYSA-N -1 0 384.797 2.684 20 5 GFBDRM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1Cl ZINC000762735644 656057178 /nfs/dbraw/zinc/05/71/78/656057178.db2.gz DCDHFVUYHOWCMC-UHFFFAOYSA-N -1 0 386.788 2.690 20 5 GFBDRM COC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768864856 656257372 /nfs/dbraw/zinc/25/73/72/656257372.db2.gz WBEZUIRCANIIQY-UHFFFAOYSA-N -1 0 376.437 2.922 20 5 GFBDRM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768893041 656259361 /nfs/dbraw/zinc/25/93/61/656259361.db2.gz VURVBJOLVURYNP-JTQLQIEISA-N -1 0 384.435 2.809 20 5 GFBDRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770748610 656329277 /nfs/dbraw/zinc/32/92/77/656329277.db2.gz SFCZYLPMLLPVJM-UHFFFAOYSA-N -1 0 393.259 2.989 20 5 GFBDRM C[C@@]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C1CC1)C(F)(F)F ZINC000775211041 656616318 /nfs/dbraw/zinc/61/63/18/656616318.db2.gz WJJKNILADRXHSB-LLVKDONJSA-N -1 0 383.304 2.512 20 5 GFBDRM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCO1 ZINC000841528407 661291355 /nfs/dbraw/zinc/29/13/55/661291355.db2.gz UWEAJGVOHGIIBP-SECBINFHSA-N -1 0 380.825 2.871 20 5 GFBDRM O=C([O-])[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC1CCCC1 ZINC000776553301 656756618 /nfs/dbraw/zinc/75/66/18/656756618.db2.gz STIHRBCVICIZOL-LLVKDONJSA-N -1 0 390.845 2.808 20 5 GFBDRM C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000776572951 656761314 /nfs/dbraw/zinc/76/13/14/656761314.db2.gz CGOVUFQIIFMSFO-NXEZZACHSA-N -1 0 378.834 2.806 20 5 GFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCCC(C)(C)C(=O)[O-] ZINC000776623284 656769056 /nfs/dbraw/zinc/76/90/56/656769056.db2.gz MKKDXMXDEQPXEA-UHFFFAOYSA-N -1 0 378.834 2.726 20 5 GFBDRM CSc1cccc(C(=O)[N-]S(=O)(=O)CCc2ccccc2)c1[N+](=O)[O-] ZINC000777303357 656817766 /nfs/dbraw/zinc/81/77/66/656817766.db2.gz YICLZYUFRWQNCU-UHFFFAOYSA-N -1 0 380.447 2.619 20 5 GFBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)N(C)CCC ZINC000777331421 656819557 /nfs/dbraw/zinc/81/95/57/656819557.db2.gz WWAVJVFQWKSJLW-UHFFFAOYSA-N -1 0 389.499 2.803 20 5 GFBDRM CCC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000780291147 656996379 /nfs/dbraw/zinc/99/63/79/656996379.db2.gz QWFCGJDCYRNGPR-MNOVXSKESA-N -1 0 390.845 2.648 20 5 GFBDRM COc1cc(C)ccc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000781442511 657057172 /nfs/dbraw/zinc/05/71/72/657057172.db2.gz VEMAMAJVVTVCNE-UHFFFAOYSA-N -1 0 384.797 2.684 20 5 GFBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000781840133 657083116 /nfs/dbraw/zinc/08/31/16/657083116.db2.gz KPBZPNMSUJBYBO-VIFPVBQESA-N -1 0 386.788 2.996 20 5 GFBDRM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782331201 657130871 /nfs/dbraw/zinc/13/08/71/657130871.db2.gz UKJRCPMENKXPFO-UHFFFAOYSA-N -1 0 384.797 2.977 20 5 GFBDRM CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000783334795 657222874 /nfs/dbraw/zinc/22/28/74/657222874.db2.gz MHMIRMGSGZXYSV-UHFFFAOYSA-N -1 0 382.781 2.570 20 5 GFBDRM C/C(=C\C(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000784926915 657331919 /nfs/dbraw/zinc/33/19/19/657331919.db2.gz UIFOEYDVIODYAW-CSKARUKUSA-N -1 0 381.797 2.552 20 5 GFBDRM Cc1cc(Cl)c(S(=O)(=O)N2[C@@H](C(=O)[O-])CCC2(C)C)cc1[N+](=O)[O-] ZINC000787514728 657562641 /nfs/dbraw/zinc/56/26/41/657562641.db2.gz SDPHNQGLGXQFSD-SNVBAGLBSA-N -1 0 376.818 2.573 20 5 GFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)c1sccc1OC(F)F ZINC000789491168 657857105 /nfs/dbraw/zinc/85/71/05/657857105.db2.gz ZXKPIXIBXIDSGI-UHFFFAOYSA-N -1 0 392.361 2.685 20 5 GFBDRM Cc1noc(C)c1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795304560 658802984 /nfs/dbraw/zinc/80/29/84/658802984.db2.gz CBPNBYGCFYCNER-UHFFFAOYSA-N -1 0 394.178 2.902 20 5 GFBDRM Cc1oncc1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795339980 658807866 /nfs/dbraw/zinc/80/78/66/658807866.db2.gz MSSBROMLTVEAKS-UHFFFAOYSA-N -1 0 380.151 2.594 20 5 GFBDRM C/C=C/C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)OCC ZINC000795928674 658873691 /nfs/dbraw/zinc/87/36/91/658873691.db2.gz VIJRLIMEXRGQMS-JOAKQRRISA-N -1 0 394.808 2.564 20 5 GFBDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)nc2Cl)cc([N+](=O)[O-])c1 ZINC000800837385 659335464 /nfs/dbraw/zinc/33/54/64/659335464.db2.gz HZBINECSWBUMMQ-UHFFFAOYSA-N -1 0 385.785 2.539 20 5 GFBDRM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000803027906 659543532 /nfs/dbraw/zinc/54/35/32/659543532.db2.gz GGOKKZIORHEBQF-UHFFFAOYSA-N -1 0 376.415 2.857 20 5 GFBDRM CCc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)on1 ZINC000809822197 659943247 /nfs/dbraw/zinc/94/32/47/659943247.db2.gz YCBKCLDOWXDMEQ-UHFFFAOYSA-N -1 0 380.209 2.931 20 5 GFBDRM O=C(Cc1ccc(Cl)c(F)c1)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000810518661 659976296 /nfs/dbraw/zinc/97/62/96/659976296.db2.gz MTHASNQKMULOHZ-UHFFFAOYSA-N -1 0 386.788 2.576 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000810519306 659976558 /nfs/dbraw/zinc/97/65/58/659976558.db2.gz LVOAVMNLVAYGFY-SECBINFHSA-N -1 0 378.859 2.505 20 5 GFBDRM CC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000815892730 660134301 /nfs/dbraw/zinc/13/43/01/660134301.db2.gz AFDDWJKKAAVHHR-UHFFFAOYSA-N -1 0 388.810 2.631 20 5 GFBDRM COC(C)(C)CS(=O)(=O)[N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841559098 661300699 /nfs/dbraw/zinc/30/06/99/661300699.db2.gz AIWMXZLWVBULKS-NSHDSACASA-N -1 0 388.339 2.682 20 5 GFBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000842403322 661337194 /nfs/dbraw/zinc/33/71/94/661337194.db2.gz AZMJKKJHASXYTG-LLVKDONJSA-N -1 0 376.381 2.675 20 5 GFBDRM CC[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000843298832 661376826 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655791246 /nfs/dbraw/zinc/79/12/46/655791246.db2.gz HWKOUPDQZMBMJB-UHFFFAOYSA-N -1 0 389.216 2.949 20 5 GFBDRM CCCc1sc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)cc1CC ZINC000750759447 655817027 /nfs/dbraw/zinc/81/70/27/655817027.db2.gz RMSJOWPKPQHJGE-UHFFFAOYSA-N -1 0 383.451 2.685 20 5 GFBDRM COC(=O)c1ccncc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752194389 655840242 /nfs/dbraw/zinc/84/02/42/655840242.db2.gz DJXAZDLYAMEXRX-UHFFFAOYSA-N -1 0 385.785 2.539 20 5 GFBDRM CCSc1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccn1 ZINC000755616931 655886309 /nfs/dbraw/zinc/88/63/09/655886309.db2.gz VDHXUJMJLVVUFS-UHFFFAOYSA-N -1 0 381.435 2.529 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H](O)c1ccsc1 ZINC000758516285 655934635 /nfs/dbraw/zinc/93/46/35/655934635.db2.gz GOLFJFQYRZWLHW-LLVKDONJSA-N -1 0 397.261 2.975 20 5 GFBDRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F ZINC000763459089 656083657 /nfs/dbraw/zinc/08/36/57/656083657.db2.gz HMYOWQWDPIJCFZ-UHFFFAOYSA-N -1 0 388.760 2.515 20 5 GFBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)ccc1Br ZINC000766376150 656170161 /nfs/dbraw/zinc/17/01/61/656170161.db2.gz QGPGLTJVRVYIBJ-UHFFFAOYSA-N -1 0 397.157 2.750 20 5 GFBDRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000766497649 656173442 /nfs/dbraw/zinc/17/34/42/656173442.db2.gz KNSVLGUXOIIUCV-UHFFFAOYSA-N -1 0 382.781 2.570 20 5 GFBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CCCCOC ZINC000766974565 656189806 /nfs/dbraw/zinc/18/98/06/656189806.db2.gz MJLMRFPYHRMFHN-UHFFFAOYSA-N -1 0 390.483 2.583 20 5 GFBDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1C1CC1 ZINC000774093897 656491025 /nfs/dbraw/zinc/49/10/25/656491025.db2.gz IITJYHTYTIZISR-UHFFFAOYSA-N -1 0 382.419 2.661 20 5 GFBDRM Cc1cccc([C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000776502014 656748688 /nfs/dbraw/zinc/74/86/88/656748688.db2.gz YSHRIAZBRAYLHD-AWEZNQCLSA-N -1 0 384.797 2.661 20 5 GFBDRM O=C([O-])[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC1CCCC1 ZINC000776553448 656756558 /nfs/dbraw/zinc/75/65/58/656756558.db2.gz WAKPZYVBZVBYAX-LLVKDONJSA-N -1 0 390.845 2.808 20 5 GFBDRM CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000776589822 656763720 /nfs/dbraw/zinc/76/37/20/656763720.db2.gz YGGFURDKTPPTJP-SNVBAGLBSA-N -1 0 378.834 2.806 20 5 GFBDRM CC(C)(C)C[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000776589821 656763814 /nfs/dbraw/zinc/76/38/14/656763814.db2.gz YGGFURDKTPPTJP-JTQLQIEISA-N -1 0 378.834 2.806 20 5 GFBDRM CC[C@H](C)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-] ZINC000776614165 656767097 /nfs/dbraw/zinc/76/70/97/656767097.db2.gz HQPBOZYYAGYUDD-KWQFWETISA-N -1 0 378.834 2.724 20 5 GFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C[C@@H](C)C(=O)[O-] ZINC000777908740 656841818 /nfs/dbraw/zinc/84/18/18/656841818.db2.gz KGVAWGFXETVXBR-SECBINFHSA-N -1 0 378.834 2.724 20 5 GFBDRM CSc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000781637294 657068233 /nfs/dbraw/zinc/06/82/33/657068233.db2.gz KWFWSEZRFDZLIV-WCIBSUBMSA-N -1 0 378.431 2.835 20 5 GFBDRM CSc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000781637293 657068243 /nfs/dbraw/zinc/06/82/43/657068243.db2.gz KWFWSEZRFDZLIV-NYYWCZLTSA-N -1 0 378.431 2.835 20 5 GFBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cn1 ZINC000782258237 657121284 /nfs/dbraw/zinc/12/12/84/657121284.db2.gz FZKVEPCXWMRDHQ-UHFFFAOYSA-N -1 0 385.785 2.539 20 5 GFBDRM O=C1CCN1c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000790351548 657957137 /nfs/dbraw/zinc/95/71/37/657957137.db2.gz WKZDSRWEJUZWIR-UHFFFAOYSA-N -1 0 381.797 2.786 20 5 GFBDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(Cl)c1 ZINC000790795130 658024040 /nfs/dbraw/zinc/02/40/40/658024040.db2.gz NGEJJTRFENKVAV-UHFFFAOYSA-N -1 0 382.825 2.913 20 5 GFBDRM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000793466180 658399315 /nfs/dbraw/zinc/39/93/15/658399315.db2.gz FNRCBVIRRMPXGC-UHFFFAOYSA-N -1 0 385.785 2.767 20 5 GFBDRM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795350558 658810207 /nfs/dbraw/zinc/81/02/07/658810207.db2.gz GBNOBZXJQXEWJK-UHFFFAOYSA-N -1 0 388.760 2.911 20 5 GFBDRM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795962263 658877299 /nfs/dbraw/zinc/87/72/99/658877299.db2.gz GENNHKDFRYINGJ-VIFPVBQESA-N -1 0 396.824 2.786 20 5 GFBDRM CC(C)c1occc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000796724204 658934849 /nfs/dbraw/zinc/93/48/49/658934849.db2.gz GSPXBKFGYBZKCC-UHFFFAOYSA-N -1 0 387.801 2.666 20 5 GFBDRM CC[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000797069795 658973852 /nfs/dbraw/zinc/97/38/52/658973852.db2.gz LREGQPWJQJFKKH-SECBINFHSA-N -1 0 393.259 2.989 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCC(F)(F)C2)cc([N+](=O)[O-])c1C ZINC000797938865 659065389 /nfs/dbraw/zinc/06/53/89/659065389.db2.gz NPJUVUNKXFDACL-NSHDSACASA-N -1 0 376.381 2.842 20 5 GFBDRM CCOc1ncccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798225827 659085279 /nfs/dbraw/zinc/08/52/79/659085279.db2.gz NEBJZFRHUVMOHY-UHFFFAOYSA-N -1 0 389.792 2.660 20 5 GFBDRM CCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000800395606 659307535 /nfs/dbraw/zinc/30/75/35/659307535.db2.gz QGBOWHSKGVQLCH-VIFPVBQESA-N -1 0 393.259 2.989 20 5 GFBDRM C[C@H](NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])C(F)(F)F ZINC000813812211 660065266 /nfs/dbraw/zinc/06/52/66/660065266.db2.gz QAMNEBSWBHCBKY-LURJTMIESA-N -1 0 378.694 2.820 20 5 GFBDRM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])sc1C ZINC000815022730 660102940 /nfs/dbraw/zinc/10/29/40/660102940.db2.gz XPMMSJGRUNWALV-UHFFFAOYSA-N -1 0 379.822 2.939 20 5 GFBDRM COc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000815916352 660135679 /nfs/dbraw/zinc/13/56/79/660135679.db2.gz UOHDSPPBDNCFQP-UHFFFAOYSA-N -1 0 388.760 2.515 20 5 GFBDRM O=C([O-])c1cccc(S(=O)(=O)NCCC[C@@H]2CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000844903199 661448940 /nfs/dbraw/zinc/44/89/40/661448940.db2.gz ZMSOYJWVGVHGFW-MRVPVSSYSA-N -1 0 397.236 2.545 20 5 GFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC[C@@H]2CC2(Cl)Cl)c1 ZINC000844903218 661448960 /nfs/dbraw/zinc/44/89/60/661448960.db2.gz ZYTMBMSURVWHFU-SECBINFHSA-N -1 0 397.236 2.545 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H](C)[C@@H](CC(=O)[O-])C2)c1 ZINC000849221104 661697783 /nfs/dbraw/zinc/69/77/83/661697783.db2.gz VFQZBNBLWDISBE-QWRGUYRKSA-N -1 0 390.845 2.678 20 5 GFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@H](CC(=O)[O-])C1 ZINC000849221329 661698353 /nfs/dbraw/zinc/69/83/53/661698353.db2.gz ZBMKBWVECZSYSX-GXSJLCMTSA-N -1 0 390.845 2.678 20 5 GFBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccn(C2CCOCC2)n1 ZINC000849311682 661705152 /nfs/dbraw/zinc/70/51/52/661705152.db2.gz OSZHAZIDEMPRJA-UHFFFAOYSA-N -1 0 386.817 2.597 20 5 GFBDRM Cc1cc(N2CCn3ncc(Br)c3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000851705734 661828481 /nfs/dbraw/zinc/82/84/81/661828481.db2.gz VAZNQBBQPZVZDK-UHFFFAOYSA-N -1 0 381.186 2.581 20 5 GFBDRM O=C([O-])[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C1CCC1 ZINC000852913217 661877151 /nfs/dbraw/zinc/87/71/51/661877151.db2.gz OIALQGKVSSECQK-SNVBAGLBSA-N -1 0 378.353 2.504 20 5 GFBDRM Cc1nc(C(C)C)sc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000917443651 664483594 /nfs/dbraw/zinc/48/35/94/664483594.db2.gz FCMUOBGMUNMVCJ-UHFFFAOYSA-N -1 0 383.451 2.910 20 5 GFBDRM C[C@@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000132805425 551378739 /nfs/dbraw/zinc/37/87/39/551378739.db2.gz YEZDQCPPYPUHGY-YPMHNXCESA-N -1 0 383.253 2.731 20 5 GFBDRM Cc1conc1[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000153451578 551453370 /nfs/dbraw/zinc/45/33/70/551453370.db2.gz KFQJIOQZTMRIJR-UHFFFAOYSA-N -1 0 376.188 2.763 20 5 GFBDRM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ncccc1F ZINC000180260741 552219717 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ZINC000327503059 563458500 /nfs/dbraw/zinc/45/85/00/563458500.db2.gz HAWWRWXGXPPHHV-CYBMUJFWSA-N -1 0 390.845 2.821 20 5 GFBDRM CS(=O)(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1Cl ZINC000436734535 563679069 /nfs/dbraw/zinc/67/90/69/563679069.db2.gz AKNMVHYWNMOXCU-UHFFFAOYSA-N -1 0 385.785 2.578 20 5 GFBDRM CC[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC(F)(F)F ZINC000414399263 563733652 /nfs/dbraw/zinc/73/36/52/563733652.db2.gz XIVQXKTXAOOTSJ-MRVPVSSYSA-N -1 0 384.332 2.550 20 5 GFBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000442614829 563775876 /nfs/dbraw/zinc/77/58/76/563775876.db2.gz IQCYMSPRSKZXKI-UHFFFAOYSA-N -1 0 377.172 2.760 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(O)cc2)c(Br)c1 ZINC000443128093 563793256 /nfs/dbraw/zinc/79/32/56/563793256.db2.gz CXOKOZLNJLGOEE-UHFFFAOYSA-N -1 0 387.211 2.541 20 5 GFBDRM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000443304622 563799873 /nfs/dbraw/zinc/79/98/73/563799873.db2.gz 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CC(C)(CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CCC(=O)[O-] ZINC000548588358 564564467 /nfs/dbraw/zinc/56/44/67/564564467.db2.gz METYEWPJHGZOLN-UHFFFAOYSA-N -1 0 378.834 2.808 20 5 GFBDRM Cc1sc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000548595936 564565451 /nfs/dbraw/zinc/56/54/51/564565451.db2.gz CPKMCEZIFZUJIY-XPTSAGLGSA-N -1 0 384.435 2.705 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nn2)c(Cl)c1 ZINC000484047310 564580898 /nfs/dbraw/zinc/58/08/98/564580898.db2.gz UPGQSAJYAPEXGC-UHFFFAOYSA-N -1 0 382.707 2.858 20 5 GFBDRM CC(C)(C)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000485064694 564605471 /nfs/dbraw/zinc/60/54/71/564605471.db2.gz TZRLKEUJAOFOQT-NSHDSACASA-N -1 0 378.834 2.806 20 5 GFBDRM O=C([O-])[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000485211554 564610165 /nfs/dbraw/zinc/61/01/65/564610165.db2.gz QJGGJFVFLYROTO-ZDUSSCGKSA-N -1 0 379.166 2.913 20 5 GFBDRM 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O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000848509749 661659351 /nfs/dbraw/zinc/65/93/51/661659351.db2.gz MGGMMBKKWOBUNI-LDYMZIIASA-N -1 0 386.323 2.512 20 5 GFBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cn(C)nc2Br)c1C ZINC000849335960 661706707 /nfs/dbraw/zinc/70/67/07/661706707.db2.gz FMVKRAWBOJSTRI-UHFFFAOYSA-N -1 0 389.231 2.508 20 5 GFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)CC[C@@H]1CC1(Cl)Cl ZINC000850981926 661800197 /nfs/dbraw/zinc/80/01/97/661800197.db2.gz SOLQBTFIWCANEF-SECBINFHSA-N -1 0 381.237 2.682 20 5 GFBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C(C)(C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000851087511 661805698 /nfs/dbraw/zinc/80/56/98/661805698.db2.gz RFPZIRLKCKDPAX-UHFFFAOYSA-N -1 0 382.360 2.828 20 5 GFBDRM Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2Br)c(C)c1[N+](=O)[O-] ZINC000857252003 662070484 /nfs/dbraw/zinc/07/04/84/662070484.db2.gz JVTLBODAMBPVJJ-UHFFFAOYSA-N -1 0 389.231 2.508 20 5 GFBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](n1cccn1)C(F)(F)F 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GFBDRM CCN(CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000739405436 603375033 /nfs/dbraw/zinc/37/50/33/603375033.db2.gz WGEGTNUISDGRJR-UHFFFAOYSA-N -1 0 387.348 2.752 20 5 GFBDRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000740561697 603434137 /nfs/dbraw/zinc/43/41/37/603434137.db2.gz GCPWNNDXHREHIE-IOASZLSFSA-N -1 0 379.438 2.995 20 5 GFBDRM O=C([O-])N(CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000831671551 603488912 /nfs/dbraw/zinc/48/89/12/603488912.db2.gz ATUWMEGAVICJCM-UHFFFAOYSA-N -1 0 375.303 2.876 20 5 GFBDRM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000825954776 603701117 /nfs/dbraw/zinc/70/11/17/603701117.db2.gz AZRXKMRFSOTNDF-HNNXBMFYSA-N -1 0 390.440 2.655 20 5 GFBDRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000832480824 604238864 /nfs/dbraw/zinc/23/88/64/604238864.db2.gz BDTIJJDNRIOBAH-KWQFWETISA-N -1 0 386.202 2.523 20 5 GFBDRM 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CO[C@@H](C)c1nc(=NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s[n-]1 ZINC000511127831 564358932 /nfs/dbraw/zinc/35/89/32/564358932.db2.gz WCNDNGILECPSKA-LURJTMIESA-N -1 0 376.316 2.847 20 5 GFBDRM COCc1n[n-]c(=NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000477019805 564362071 /nfs/dbraw/zinc/36/20/71/564362071.db2.gz HYKCYUTVHLEIRB-UHFFFAOYSA-N -1 0 377.348 2.557 20 5 GFBDRM CCn1cc(S(=O)(=O)[N-]c2cc(F)c(SC)c(F)c2)c([N+](=O)[O-])n1 ZINC000544099509 564374047 /nfs/dbraw/zinc/37/40/47/564374047.db2.gz ZZJBXLCHIHEBAN-UHFFFAOYSA-N -1 0 378.382 2.612 20 5 GFBDRM CCS[C@H]1CCCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000567798341 564389116 /nfs/dbraw/zinc/38/91/16/564389116.db2.gz MVYVKWJUWGYKEA-LBPRGKRZSA-N -1 0 388.467 2.589 20 5 GFBDRM CCc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000480886787 564493874 /nfs/dbraw/zinc/49/38/74/564493874.db2.gz SJEPEAVOTIYIOY-UHFFFAOYSA-N -1 0 379.316 2.643 20 5 GFBDRM CC[C@H](C)[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 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ZINC000798821086 659147599 /nfs/dbraw/zinc/14/75/99/659147599.db2.gz SDDHRKUVMPNCDT-UHFFFAOYSA-N -1 0 390.845 2.650 20 5 GFBDRM CCn1ncc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1C(F)(F)F ZINC000799128929 659167401 /nfs/dbraw/zinc/16/74/01/659167401.db2.gz VGTJHXMMNXZXPW-UHFFFAOYSA-N -1 0 382.295 2.770 20 5 GFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@]1(C)C(=O)[O-] ZINC000799744454 659220808 /nfs/dbraw/zinc/22/08/08/659220808.db2.gz CSCAAKJSKPPNQC-CQSZACIVSA-N -1 0 376.818 2.575 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000800022339 659257797 /nfs/dbraw/zinc/25/77/97/659257797.db2.gz QZJVAMGEDOCTJO-LLVKDONJSA-N -1 0 390.845 2.965 20 5 GFBDRM Cc1cc(=O)c(COC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n[n-]1 ZINC000802171744 659452324 /nfs/dbraw/zinc/45/23/24/659452324.db2.gz QXHMFDQTHVOKFV-UHFFFAOYSA-N -1 0 382.170 2.827 20 5 GFBDRM Cc1c(CC(=O)[N-]S(=O)(=O)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000802838043 659513454 /nfs/dbraw/zinc/51/34/54/659513454.db2.gz HYTWONWTCLVECF-UHFFFAOYSA-N -1 0 382.825 2.745 20 5 GFBDRM COc1c(C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2F)cccc1[N+](=O)[O-] ZINC000802846901 659515319 /nfs/dbraw/zinc/51/53/19/659515319.db2.gz CYYKKRDFEITYAB-UHFFFAOYSA-N -1 0 388.760 2.515 20 5 GFBDRM Cc1cc(C(=O)[N-]S(=O)(=O)CCc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000803055950 659548789 /nfs/dbraw/zinc/54/87/89/659548789.db2.gz WMUWCMXBRKECEP-UHFFFAOYSA-N -1 0 382.825 2.859 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1[N+](=O)[O-] ZINC000809120068 659916948 /nfs/dbraw/zinc/91/69/48/659916948.db2.gz PPDHXIAGFLSIPH-UHFFFAOYSA-N -1 0 380.325 2.794 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000809122533 659917427 /nfs/dbraw/zinc/91/74/27/659917427.db2.gz RFCJYFWGHQLHGQ-UHFFFAOYSA-N -1 0 398.315 2.933 20 5 GFBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOC(F)(F)F)c(Cl)cc1Cl ZINC000809835863 659947282 /nfs/dbraw/zinc/94/72/82/659947282.db2.gz LUJBJGKQUYWECQ-UHFFFAOYSA-N -1 0 383.131 2.716 20 5 GFBDRM O=C([N-]OC1CCCCC1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810389341 659971339 /nfs/dbraw/zinc/97/13/39/659971339.db2.gz FVAVGBXQBZFWOJ-UHFFFAOYSA-N -1 0 386.202 2.676 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ncsc2C(C)C)cc([N+](=O)[O-])c1C ZINC000810517805 659976352 /nfs/dbraw/zinc/97/63/52/659976352.db2.gz URGCTOFENOVNKC-UHFFFAOYSA-N -1 0 383.451 2.910 20 5 GFBDRM Cc1cccc(CC(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)c1Cl ZINC000810537653 659977183 /nfs/dbraw/zinc/97/71/83/659977183.db2.gz ANOSYTFEGSTIPW-UHFFFAOYSA-N -1 0 386.788 2.743 20 5 GFBDRM CC/C=C(\C)C(=O)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000810733532 659984329 /nfs/dbraw/zinc/98/43/29/659984329.db2.gz XKZYBFVBRWAWAR-QPJJXVBHSA-N -1 0 395.206 2.658 20 5 GFBDRM COCc1cc(Cl)cc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000811151418 660001416 /nfs/dbraw/zinc/00/14/16/660001416.db2.gz MVQJMKRLVQNXOU-UHFFFAOYSA-N -1 0 384.797 2.513 20 5 GFBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)cc1[N+](=O)[O-] ZINC000811717393 660014700 /nfs/dbraw/zinc/01/47/00/660014700.db2.gz IGSPWEFDFGZFFE-UHFFFAOYSA-N -1 0 382.785 2.939 20 5 GFBDRM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n[nH]1 ZINC000815029181 660103983 /nfs/dbraw/zinc/10/39/83/660103983.db2.gz LGTLAZPMVPYVTQ-SSDOTTSWSA-N -1 0 391.812 2.668 20 5 GFBDRM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000841562962 661302391 /nfs/dbraw/zinc/30/23/91/661302391.db2.gz FTXRUDQFEHHVNG-NXEZZACHSA-N -1 0 381.223 2.916 20 5 GFBDRM C[C@H]1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C[C@H]1C(=O)[O-] ZINC000843304362 661377494 /nfs/dbraw/zinc/37/74/94/661377494.db2.gz FNAGNYIPPANADZ-JGVFFNPUSA-N -1 0 397.236 2.633 20 5 GFBDRM CCCCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850885902 661794966 /nfs/dbraw/zinc/79/49/66/661794966.db2.gz MOOFNZKQWZYVMM-LLVKDONJSA-N -1 0 376.406 2.524 20 5 GFBDRM C[C@H]1CC(=O)N(C)c2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc21 ZINC000863428191 662331673 /nfs/dbraw/zinc/33/16/73/662331673.db2.gz 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O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](O)C1 ZINC000121724245 551240600 /nfs/dbraw/zinc/24/06/00/551240600.db2.gz ZFDFROLLVMXTCW-SCZZXKLOSA-N -1 0 383.253 2.731 20 5 GFBDRM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000126411022 551329638 /nfs/dbraw/zinc/32/96/38/551329638.db2.gz NPNVMVNCHJSNIV-UHFFFAOYSA-N -1 0 392.220 2.710 20 5 GFBDRM O=C([O-])C1(CNc2ccc(I)cc2[N+](=O)[O-])CCC1 ZINC000138558163 551391738 /nfs/dbraw/zinc/39/17/38/551391738.db2.gz ULADKFGCGOEIQN-UHFFFAOYSA-N -1 0 376.150 2.866 20 5 GFBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(Br)nn2C)c1C ZINC000292437220 563786427 /nfs/dbraw/zinc/78/64/27/563786427.db2.gz JNWXANLZWVPPLS-UHFFFAOYSA-N -1 0 389.231 2.508 20 5 GFBDRM CCn1cc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cn1 ZINC000174675035 552108223 /nfs/dbraw/zinc/10/82/23/552108223.db2.gz GULQGCNZUYYMMB-UHFFFAOYSA-N -1 0 389.231 2.683 20 5 GFBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000179671161 552199867 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398.135 2.753 20 5 GFBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000422551851 563342851 /nfs/dbraw/zinc/34/28/51/563342851.db2.gz FUUDZDDAMXLKCA-JGVFFNPUSA-N -1 0 397.236 2.633 20 5 GFBDRM CC(C)C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(=O)[O-] ZINC000325148650 563453762 /nfs/dbraw/zinc/45/37/62/563453762.db2.gz LLXFXEDOUHKLNB-JTQLQIEISA-N -1 0 378.834 2.664 20 5 GFBDRM CC(C)(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CCC(=O)[O-] ZINC000325470666 563453920 /nfs/dbraw/zinc/45/39/20/563453920.db2.gz AECAUMMLWNLFJL-UHFFFAOYSA-N -1 0 378.834 2.808 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000326616078 563454959 /nfs/dbraw/zinc/45/49/59/563454959.db2.gz NHFMENXTTMYOEP-CQSZACIVSA-N -1 0 384.797 2.661 20 5 GFBDRM O=C([O-])[C@@H]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000327892923 563459928 /nfs/dbraw/zinc/45/99/28/563459928.db2.gz FTLAHBODJFLIPM-CWSCBRNRSA-N -1 0 388.829 2.512 20 5 GFBDRM 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O=C([O-])c1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000740082479 600191744 /nfs/dbraw/zinc/19/17/44/600191744.db2.gz ZGWLCKIOKKBSRW-KRWDZBQOSA-N -1 0 397.387 2.926 20 5 GFBDRM CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736972584 600192107 /nfs/dbraw/zinc/19/21/07/600192107.db2.gz HNZBOIJKXCWVRX-QGZVFWFLSA-N -1 0 399.403 2.759 20 5 GFBDRM CCc1nc([C@H](C)Nc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])cs1 ZINC000737276152 600240716 /nfs/dbraw/zinc/24/07/16/600240716.db2.gz FRPBKCZPCFLKAH-UWVGGRQHSA-N -1 0 392.437 2.990 20 5 GFBDRM O=C([O-])[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(Cl)c1 ZINC000740289924 600323187 /nfs/dbraw/zinc/32/31/87/600323187.db2.gz HOECQKYPJOWYOQ-AWEZNQCLSA-N -1 0 379.708 2.960 20 5 GFBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738067983 600327430 /nfs/dbraw/zinc/32/74/30/600327430.db2.gz CHDJJFRXTPMPTD-NSHDSACASA-N -1 0 388.380 2.810 20 5 GFBDRM 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IVOWQVWGJRXRIG-DVVUODLYSA-N -1 0 390.845 2.662 20 5 GFBDRM CC(C)(C)OC(=O)c1ccnc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000849337847 661707533 /nfs/dbraw/zinc/70/75/33/661707533.db2.gz UFEMKPMZWBKADA-UHFFFAOYSA-N -1 0 385.423 2.807 20 5 GFBDRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000850731189 661788935 /nfs/dbraw/zinc/78/89/35/661788935.db2.gz MAFXCYABUHQUDI-AWEZNQCLSA-N -1 0 390.845 2.648 20 5 GFBDRM CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F)c1 ZINC000864222622 662363786 /nfs/dbraw/zinc/36/37/86/662363786.db2.gz RDWARJXDSGVSGT-SNVBAGLBSA-N -1 0 398.384 2.795 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cc3ccsc3[nH]2)cc([N+](=O)[O-])c1C ZINC000916179035 664453485 /nfs/dbraw/zinc/45/34/85/664453485.db2.gz FTRGRGULGFSUOT-UHFFFAOYSA-N -1 0 379.419 2.873 20 5 GFBDRM O=C(/C=C/c1ccc(Cl)cc1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000917445508 664483532 /nfs/dbraw/zinc/48/35/32/664483532.db2.gz LRPSAOVWXAFJAZ-ZZXKWVIFSA-N -1 0 384.772 2.906 20 5 GFBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc2c1CCC2 ZINC000920334577 664525318 /nfs/dbraw/zinc/52/53/18/664525318.db2.gz RLZAHJJSHQGFGQ-UHFFFAOYSA-N -1 0 380.809 2.856 20 5 GFBDRM COCc1ccccc1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000920332474 664525343 /nfs/dbraw/zinc/52/53/43/664525343.db2.gz CGILCEKTKIFHBF-UHFFFAOYSA-N -1 0 384.797 2.513 20 5 GFBDRM CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000921136480 664537823 /nfs/dbraw/zinc/53/78/23/664537823.db2.gz JYLYYQSGZSTLMW-SNVBAGLBSA-N -1 0 378.834 2.504 20 5 GFBDRM COc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000121344683 677398704 /nfs/dbraw/zinc/39/87/04/677398704.db2.gz SROPJCFUDUVXAW-UHFFFAOYSA-N -1 0 377.300 2.818 20 5 GFBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000121183767 551229224 /nfs/dbraw/zinc/22/92/24/551229224.db2.gz WODUOAXGZQMCDE-UHFFFAOYSA-N -1 0 382.345 2.828 20 5 GFBDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccn3)s2)c([N+](=O)[O-])c1 ZINC000126305336 551328076 /nfs/dbraw/zinc/32/80/76/551328076.db2.gz GJINXDQUKXXOAM-UHFFFAOYSA-N -1 0 377.407 2.618 20 5 GFBDRM C[C@@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000132805032 551378877 /nfs/dbraw/zinc/37/88/77/551378877.db2.gz YEZDQCPPYPUHGY-AAEUAGOBSA-N -1 0 383.253 2.731 20 5 GFBDRM CC(C)Oc1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccn1 ZINC000161227977 551591638 /nfs/dbraw/zinc/59/16/38/551591638.db2.gz LRZMDFCBDJZPKW-UHFFFAOYSA-N -1 0 385.829 2.909 20 5 GFBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncccc1Br ZINC000173013631 551692614 /nfs/dbraw/zinc/69/26/14/551692614.db2.gz XLQIEBDRVFBIAT-UHFFFAOYSA-N -1 0 388.199 2.562 20 5 GFBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1 ZINC000175022213 552114277 /nfs/dbraw/zinc/11/42/77/552114277.db2.gz KIGXGGOZNIQROV-UHFFFAOYSA-N -1 0 378.332 2.771 20 5 GFBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccn1 ZINC000182947774 552296805 /nfs/dbraw/zinc/29/68/05/552296805.db2.gz PKFNKXYQCXNVMO-UHFFFAOYSA-N -1 0 377.300 2.818 20 5 GFBDRM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-] ZINC000182949040 552296978 /nfs/dbraw/zinc/29/69/78/552296978.db2.gz UCWMUDRCHNDXEY-UHFFFAOYSA-N -1 0 377.300 2.818 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2noc(C3CC3)n2)c(C(F)(F)F)c1 ZINC000183398782 552308810 /nfs/dbraw/zinc/30/88/10/552308810.db2.gz ZFPOFJZPOFZBOJ-UHFFFAOYSA-N -1 0 378.288 2.675 20 5 GFBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccccc1C[S@@](C)=O ZINC000185659875 552368673 /nfs/dbraw/zinc/36/86/73/552368673.db2.gz NLPJUYVVRYHKKZ-XMMPIXPASA-N -1 0 382.463 2.891 20 5 GFBDRM CSc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000261744689 553158029 /nfs/dbraw/zinc/15/80/29/553158029.db2.gz TZNYNRGBABJGMH-CYBMUJFWSA-N -1 0 378.328 2.796 20 5 GFBDRM CCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000262664616 553173366 /nfs/dbraw/zinc/17/33/66/553173366.db2.gz MWAFTFLPEAFAIC-SNVBAGLBSA-N -1 0 384.332 2.535 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2nnc([C@H]3CCCO3)o2)cc1[N+](=O)[O-] ZINC000278357219 563251921 /nfs/dbraw/zinc/25/19/21/563251921.db2.gz JGJUOVIAURGIBS-LLVKDONJSA-N -1 0 388.789 2.592 20 5 GFBDRM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(SC)cc1 ZINC000326814304 563455789 /nfs/dbraw/zinc/45/57/89/563455789.db2.gz GHCMXEUOEGHCRT-UHFFFAOYSA-N -1 0 382.419 2.904 20 5 GFBDRM O=C1CCc2cc(Cl)c(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc21 ZINC000432072652 563574599 /nfs/dbraw/zinc/57/45/99/563574599.db2.gz BAZHENRMPLEZTL-UHFFFAOYSA-N -1 0 382.781 2.884 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)c(C)cc1[N+](=O)[O-] ZINC000414379128 563731723 /nfs/dbraw/zinc/73/17/23/563731723.db2.gz FSXVJGKWMKVLHS-DEOSSOPVSA-N -1 0 382.463 2.891 20 5 GFBDRM COc1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000442820623 563780550 /nfs/dbraw/zinc/78/05/50/563780550.db2.gz CCFNOAKINDPQQB-UHFFFAOYSA-N -1 0 377.300 2.818 20 5 GFBDRM CC(C)c1nc(S(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)cn1C ZINC000416422730 563827044 /nfs/dbraw/zinc/82/70/44/563827044.db2.gz OBQPHOCCEYMFAS-UHFFFAOYSA-N -1 0 381.439 2.862 20 5 GFBDRM O=C([O-])c1cccc2c1N(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC000367164292 563833887 /nfs/dbraw/zinc/83/38/87/563833887.db2.gz HMFGSBIHYXIARN-UHFFFAOYSA-N -1 0 382.781 2.698 20 5 GFBDRM C[C@H](Sc1n[nH]c(=O)[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446065903 563857994 /nfs/dbraw/zinc/85/79/94/563857994.db2.gz FDQUEKBFFIXNNF-YFKPBYRVSA-N -1 0 377.304 2.557 20 5 GFBDRM O=C([O-])c1cc(S(=O)(=O)N(Cc2cccs2)C2CC2)ccc1[N+](=O)[O-] ZINC000563231659 564181562 /nfs/dbraw/zinc/18/15/62/564181562.db2.gz MWRVMMVHLDQLCI-UHFFFAOYSA-N -1 0 382.419 2.708 20 5 GFBDRM O=C(N[C@H](CO)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000538698538 564197217 /nfs/dbraw/zinc/19/72/17/564197217.db2.gz MQHFPTGEECGMKZ-GFCCVEGCSA-N -1 0 381.182 2.526 20 5 GFBDRM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000539223028 564213234 /nfs/dbraw/zinc/21/32/34/564213234.db2.gz SNDHGOMYDGCXCX-UFBFGSQYSA-N -1 0 383.253 2.995 20 5 GFBDRM Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000541782520 564288629 /nfs/dbraw/zinc/28/86/29/564288629.db2.gz XMFJYRHGBQJFFJ-LLVKDONJSA-N -1 0 398.388 2.589 20 5 GFBDRM O=C(CSCC(=O)N1CCCCC1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000543672511 564359015 /nfs/dbraw/zinc/35/90/15/564359015.db2.gz DSMRFHJVVXBIOO-UHFFFAOYSA-N -1 0 387.845 2.638 20 5 GFBDRM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000545124945 564408798 /nfs/dbraw/zinc/40/87/98/564408798.db2.gz WFNZADPPQJSERC-HSZRJFAPSA-N -1 0 388.854 2.928 20 5 GFBDRM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000545124946 564409275 /nfs/dbraw/zinc/40/92/75/564409275.db2.gz WFNZADPPQJSERC-QHCPKHFHSA-N -1 0 388.854 2.928 20 5 GFBDRM CCS[C@@H]1CCCCN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000545547934 564427509 /nfs/dbraw/zinc/42/75/09/564427509.db2.gz SJCMNFZGMYESOY-CYBMUJFWSA-N -1 0 388.467 2.589 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)NC(C)(C)C[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000547963401 564525639 /nfs/dbraw/zinc/52/56/39/564525639.db2.gz JQRWVULLGVAAGH-QMMMGPOBSA-N -1 0 378.834 2.724 20 5 GFBDRM CCCCC[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000548237167 564540801 /nfs/dbraw/zinc/54/08/01/564540801.db2.gz GIBUTUXDWPLOJS-ZIAGYGMSSA-N -1 0 388.467 2.692 20 5 GFBDRM Cc1sc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000548262798 564544682 /nfs/dbraw/zinc/54/46/82/564544682.db2.gz APEJBMAJRMNYKU-GFCCVEGCSA-N -1 0 390.826 2.722 20 5 GFBDRM CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000548561266 564560047 /nfs/dbraw/zinc/56/00/47/564560047.db2.gz KVAYFYSGIZRRRF-ZDUSSCGKSA-N -1 0 378.834 2.676 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)N(CCC(=O)[O-])CC(C)C)cc1[N+](=O)[O-] ZINC000548558099 564560125 /nfs/dbraw/zinc/56/01/25/564560125.db2.gz CGCBIAFAWSCJPN-UHFFFAOYSA-N -1 0 378.834 2.678 20 5 GFBDRM CC1CCC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC000548771412 564574853 /nfs/dbraw/zinc/57/48/53/564574853.db2.gz ZXUJWWAJNBSGRS-UHFFFAOYSA-N -1 0 376.818 2.560 20 5 GFBDRM COc1cc(CSc2n[n-]c(=NC[C@H]3CCCO3)s2)ccc1[N+](=O)[O-] ZINC000484519855 564590045 /nfs/dbraw/zinc/59/00/45/564590045.db2.gz ZJDNEYGXXVPOHU-LLVKDONJSA-N -1 0 382.467 2.760 20 5 GFBDRM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000485004543 564603820 /nfs/dbraw/zinc/60/38/20/564603820.db2.gz IHDBHETTZDMXBJ-UHFFFAOYSA-N -1 0 376.188 2.763 20 5 GFBDRM CC(=O)Nc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(Cl)c1 ZINC000485172379 564608784 /nfs/dbraw/zinc/60/87/84/564608784.db2.gz KVDXWKIHMXBCOJ-UHFFFAOYSA-N -1 0 385.785 2.713 20 5 GFBDRM CCn1cc(S(=O)(=O)[N-]c2cc(C)cc(Br)c2)c([N+](=O)[O-])n1 ZINC000486108016 564639200 /nfs/dbraw/zinc/63/92/00/564639200.db2.gz JTNUOKSFFHYAGS-UHFFFAOYSA-N -1 0 389.231 2.683 20 5 GFBDRM O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000554142739 564752061 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C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(C(=O)[O-])o1 ZINC000827843025 601460041 /nfs/dbraw/zinc/46/00/41/601460041.db2.gz AQXQYTRPMCLGCS-NSHDSACASA-N -1 0 390.348 2.641 20 5 GFBDRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000833104935 601540754 /nfs/dbraw/zinc/54/07/54/601540754.db2.gz GAXJHGFMPWNCHC-RHSMWYFYSA-N -1 0 375.425 2.889 20 5 GFBDRM O=C([O-])[C@H]1CCCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000238041015 601629815 /nfs/dbraw/zinc/62/98/15/601629815.db2.gz ALVKPOQUKIPSDY-GFCCVEGCSA-N -1 0 389.330 2.881 20 5 GFBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(CC(=O)[O-])C3CC3)cc2[N+](=O)[O-])C1 ZINC000237690729 601636674 /nfs/dbraw/zinc/63/66/74/601636674.db2.gz FJJWYLGJYKKZPV-BETUJISGSA-N -1 0 375.425 2.766 20 5 GFBDRM O=C([O-])C1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC000178762032 601657239 /nfs/dbraw/zinc/65/72/39/601657239.db2.gz DLEAUYDDFNKJRN-UHFFFAOYSA-N -1 0 385.214 2.804 20 5 GFBDRM Cc1cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1OCC(=O)[O-] ZINC000832867875 601682867 /nfs/dbraw/zinc/68/28/67/601682867.db2.gz LJNOQBSHAJRBGD-UHFFFAOYSA-N -1 0 387.344 2.715 20 5 GFBDRM O=C([O-])c1ccc(COC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC000833352385 601726352 /nfs/dbraw/zinc/72/63/52/601726352.db2.gz ATKSQBSGEXYZTK-UHFFFAOYSA-N -1 0 385.307 2.975 20 5 GFBDRM CCOc1cc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000830032775 601749124 /nfs/dbraw/zinc/74/91/24/601749124.db2.gz QNLROLFNKCGXLJ-MRXNPFEDSA-N -1 0 380.397 2.765 20 5 GFBDRM CC[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C(=O)[O-] ZINC000578416735 601754461 /nfs/dbraw/zinc/75/44/61/601754461.db2.gz VIXDSKNLSYFUKL-SNVBAGLBSA-N -1 0 387.179 2.680 20 5 GFBDRM O=C([O-])CCCc1nnc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000833231890 601757944 /nfs/dbraw/zinc/75/79/44/601757944.db2.gz DWLGXFCNOHLIGM-UHFFFAOYSA-N -1 0 399.816 2.829 20 5 GFBDRM 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O=C([O-])N1CCC(C(=O)NCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)CC1 ZINC000740492025 601894590 /nfs/dbraw/zinc/89/45/90/601894590.db2.gz PXKWYCFQPPWYIM-UHFFFAOYSA-N -1 0 397.431 2.965 20 5 GFBDRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262241112 601898812 /nfs/dbraw/zinc/89/88/12/601898812.db2.gz ZZMWEYWCXFFWDF-CVEARBPZSA-N -1 0 386.408 2.934 20 5 GFBDRM COc1cc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000831871508 601904723 /nfs/dbraw/zinc/90/47/23/601904723.db2.gz XDTHVTUMBBTSIB-WCQYABFASA-N -1 0 380.397 2.765 20 5 GFBDRM COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000831107967 601905672 /nfs/dbraw/zinc/90/56/72/601905672.db2.gz PNXGLQOCXVPVSB-LSDHHAIUSA-N -1 0 378.381 2.535 20 5 GFBDRM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738633465 601981138 /nfs/dbraw/zinc/98/11/38/601981138.db2.gz YTJGAZBTTDTEIP-JQWIXIFHSA-N -1 0 384.820 2.649 20 5 GFBDRM COc1ccc(S(=O)(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832476894 601986933 /nfs/dbraw/zinc/98/69/33/601986933.db2.gz VVMYIXRLAFTXPX-UHFFFAOYSA-N -1 0 399.402 2.548 20 5 GFBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000832916477 602015220 /nfs/dbraw/zinc/01/52/20/602015220.db2.gz PWZBDVYRWMIAGJ-SNVBAGLBSA-N -1 0 390.323 2.925 20 5 GFBDRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000740448851 602133162 /nfs/dbraw/zinc/13/31/62/602133162.db2.gz SNJBCHBHXBJHOY-NVXWUHKLSA-N -1 0 390.440 2.701 20 5 GFBDRM O=C([O-])NCCOc1cccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000740669971 602274724 /nfs/dbraw/zinc/27/47/24/602274724.db2.gz HAPAVCMKJWBVDZ-UHFFFAOYSA-N -1 0 398.375 2.835 20 5 GFBDRM COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)cc1SC ZINC000739870306 602299933 /nfs/dbraw/zinc/29/99/33/602299933.db2.gz FKQLOAIFHFHELZ-JTQLQIEISA-N -1 0 383.426 2.540 20 5 GFBDRM C[C@@H](NC(=O)c1ccc(N2CCC(OC(C)(C)C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703585 602315285 /nfs/dbraw/zinc/31/52/85/602315285.db2.gz PEMDCHXMLXBHRW-GFCCVEGCSA-N -1 0 393.440 2.582 20 5 GFBDRM CN(C[C@@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739663417 602433985 /nfs/dbraw/zinc/43/39/85/602433985.db2.gz KMSFNGWSGMPNNF-QMMMGPOBSA-N -1 0 392.290 2.958 20 5 GFBDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000738806642 602454441 /nfs/dbraw/zinc/45/44/41/602454441.db2.gz JBDKDDNJVQVTBH-AWEZNQCLSA-N -1 0 378.429 2.607 20 5 GFBDRM O=C([O-])NCc1cccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000740681274 602455214 /nfs/dbraw/zinc/45/52/14/602455214.db2.gz CLMJYZCDRIBTPU-UHFFFAOYSA-N -1 0 386.769 2.784 20 5 GFBDRM O=C([O-])NCc1cccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000740681436 602455747 /nfs/dbraw/zinc/45/57/47/602455747.db2.gz KPYBWMZNMYTYFJ-UHFFFAOYSA-N -1 0 386.769 2.784 20 5 GFBDRM 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376.188 2.763 20 5 GFBDRM COc1cccc(/C(C)=C\C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1 ZINC000751838342 655834908 /nfs/dbraw/zinc/83/49/08/655834908.db2.gz QBBLECHWHQBTBC-POHAHGRESA-N -1 0 382.419 2.573 20 5 GFBDRM O=C(CSc1n[n-]c(=S)s1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000752872785 655847568 /nfs/dbraw/zinc/84/75/68/655847568.db2.gz AGXSKWYKKULOPK-UHFFFAOYSA-N -1 0 395.491 2.667 20 5 GFBDRM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000753080087 655850085 /nfs/dbraw/zinc/85/00/85/655850085.db2.gz PPTHFEOJXHWBSB-UHFFFAOYSA-N -1 0 387.801 2.781 20 5 GFBDRM CC1(C)CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)C1 ZINC000756565274 655902143 /nfs/dbraw/zinc/90/21/43/655902143.db2.gz LYSKALXXAQTQLJ-SECBINFHSA-N -1 0 389.861 2.852 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C\SCc2ccco2)ccc1[N+](=O)[O-] ZINC000759859075 655965257 /nfs/dbraw/zinc/96/52/57/655965257.db2.gz XSXFPXKSOJBGBG-VURMDHGXSA-N -1 0 382.419 2.748 20 5 GFBDRM 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O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cc(F)ccc1Cl ZINC000815985044 660138949 /nfs/dbraw/zinc/13/89/49/660138949.db2.gz DCSSVBFPQUJERX-UHFFFAOYSA-N -1 0 376.724 2.645 20 5 GFBDRM CO[C@H](CS(=O)(=O)[N-]c1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000842585192 661344621 /nfs/dbraw/zinc/34/46/21/661344621.db2.gz VADQHYUMHQXOIX-GFCCVEGCSA-N -1 0 379.232 2.524 20 5 GFBDRM CC(C)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-] ZINC000846769445 661565323 /nfs/dbraw/zinc/56/53/23/661565323.db2.gz LEBBYGSEEWUFEA-ZETCQYMHSA-N -1 0 385.225 2.537 20 5 GFBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000848509743 661659341 /nfs/dbraw/zinc/65/93/41/661659341.db2.gz MGGMMBKKWOBUNI-GZMMTYOYSA-N -1 0 386.323 2.512 20 5 GFBDRM C[C@@H](C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000848684450 661673499 /nfs/dbraw/zinc/67/34/99/661673499.db2.gz QKMVLXIWPRPSGS-CMPLNLGQSA-N -1 0 390.845 2.902 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1(C(F)(F)F)CCCCC1 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O=C(NCCOc1cccc(Br)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194553311 553024288 /nfs/dbraw/zinc/02/42/88/553024288.db2.gz XHVSIWROMRLKEW-UHFFFAOYSA-N -1 0 381.182 2.872 20 5 GFBDRM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000194801774 553030577 /nfs/dbraw/zinc/03/05/77/553030577.db2.gz MULWKPRRHJPUMH-UHFFFAOYSA-N -1 0 377.300 2.818 20 5 GFBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC000261606306 553154116 /nfs/dbraw/zinc/15/41/16/553154116.db2.gz CTOFPYMUQSSTQE-ZDUSSCGKSA-N -1 0 378.328 2.796 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2nnc([C@@H]3CCCO3)o2)cc1[N+](=O)[O-] ZINC000278357225 563251701 /nfs/dbraw/zinc/25/17/01/563251701.db2.gz JGJUOVIAURGIBS-NSHDSACASA-N -1 0 388.789 2.592 20 5 GFBDRM Cn1nc([C@H]2CCCO2)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000278913907 563276308 /nfs/dbraw/zinc/27/63/08/563276308.db2.gz SIXIAYCTDSEGMG-CYBMUJFWSA-N -1 0 386.817 2.634 20 5 GFBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 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20 5 GFBDRM COCCc1nc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)ccc2o1 ZINC000439883815 563732656 /nfs/dbraw/zinc/73/26/56/563732656.db2.gz UVNFFJMHUMMAMZ-UHFFFAOYSA-N -1 0 383.407 2.787 20 5 GFBDRM CCc1nc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])sc1C(=O)OC ZINC000441381112 563758955 /nfs/dbraw/zinc/75/89/55/563758955.db2.gz HINATRPOWNYUHB-UHFFFAOYSA-N -1 0 385.423 2.510 20 5 GFBDRM CCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000442807816 563780573 /nfs/dbraw/zinc/78/05/73/563780573.db2.gz FUXXNCXMUFOJOM-UHFFFAOYSA-N -1 0 389.231 2.834 20 5 GFBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000416416240 563825671 /nfs/dbraw/zinc/82/56/71/563825671.db2.gz KMTKNHPRFNWHKX-UHFFFAOYSA-N -1 0 383.407 2.516 20 5 GFBDRM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000416561362 563849416 /nfs/dbraw/zinc/84/94/16/563849416.db2.gz ONIXJOIPQIXUTH-ZETCQYMHSA-N -1 0 379.225 2.675 20 5 GFBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1 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2.667 20 5 GFBDRM Cc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccsc2)cc([N+](=O)[O-])c1C ZINC000548198130 564534976 /nfs/dbraw/zinc/53/49/76/564534976.db2.gz FUBNDPWEKLVTDF-ZDUSSCGKSA-N -1 0 384.435 2.767 20 5 GFBDRM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000548196292 564535052 /nfs/dbraw/zinc/53/50/52/564535052.db2.gz DSUWATJIIHLGKS-LLVKDONJSA-N -1 0 390.826 2.804 20 5 GFBDRM CCCCC[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000548237164 564540576 /nfs/dbraw/zinc/54/05/76/564540576.db2.gz GIBUTUXDWPLOJS-KBPBESRZSA-N -1 0 388.467 2.692 20 5 GFBDRM Cc1sc(S(=O)(=O)N(C)[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000548246507 564543073 /nfs/dbraw/zinc/54/30/73/564543073.db2.gz IKNVSEOFWFIUHD-CYBMUJFWSA-N -1 0 388.398 2.550 20 5 GFBDRM O=C(N=c1[n-]nc(-c2ccc(Cl)cc2F)s1)c1ccc([N+](=O)[O-])cn1 ZINC000548749206 564573021 /nfs/dbraw/zinc/57/30/21/564573021.db2.gz BSKQIVOCQRZALQ-UHFFFAOYSA-N -1 0 379.760 2.975 20 5 GFBDRM Cc1ccc(Br)cc1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000526126644 564721245 /nfs/dbraw/zinc/72/12/45/564721245.db2.gz REBJUPIVZGCLHK-UHFFFAOYSA-N -1 0 386.227 2.539 20 5 GFBDRM O=C([O-])c1cc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1 ZINC000581009257 564784193 /nfs/dbraw/zinc/78/41/93/564784193.db2.gz HFMACLCWJFHOEN-UHFFFAOYSA-N -1 0 382.419 2.708 20 5 GFBDRM COc1cncc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000556352882 564820968 /nfs/dbraw/zinc/82/09/68/564820968.db2.gz XMSQZAISZVARGJ-UHFFFAOYSA-N -1 0 388.199 2.562 20 5 GFBDRM CC[C@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000531006217 564898895 /nfs/dbraw/zinc/89/88/95/564898895.db2.gz ZCHZNLFILYRJAS-GFCCVEGCSA-N -1 0 385.829 2.779 20 5 GFBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)N1CCOc2ccc(Cl)cc21 ZINC000499285203 564922879 /nfs/dbraw/zinc/92/28/79/564922879.db2.gz NEDMAOKMSYPODP-UHFFFAOYSA-N -1 0 384.797 2.850 20 5 GFBDRM O=C(N=c1[n-]nc(CC(F)(F)F)s1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467446528 564963418 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388.760 2.515 20 5 GFBDRM CC(C)(C)c1nc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cs1 ZINC000781840146 657083262 /nfs/dbraw/zinc/08/32/62/657083262.db2.gz KXXTXGQIBWNIFO-UHFFFAOYSA-N -1 0 387.414 2.607 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)CCCOC(C)C)cc1[N+](=O)[O-] ZINC000784816488 657327548 /nfs/dbraw/zinc/32/75/48/657327548.db2.gz OXHPBMBRDAOUIJ-UHFFFAOYSA-N -1 0 378.834 2.567 20 5 GFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)c1ccc(Br)cc1 ZINC000789481097 657855790 /nfs/dbraw/zinc/85/57/90/657855790.db2.gz SGUVYTSVALRTMG-UHFFFAOYSA-N -1 0 399.222 2.784 20 5 GFBDRM CCSc1ccc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000789484449 657856285 /nfs/dbraw/zinc/85/62/85/657856285.db2.gz LRWFXHIEEAOJKY-UHFFFAOYSA-N -1 0 381.435 2.529 20 5 GFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCc2sccc21 ZINC000789487820 657856694 /nfs/dbraw/zinc/85/66/94/657856694.db2.gz XMHWLZPKGXWOFN-LBPRGKRZSA-N -1 0 380.447 2.890 20 5 GFBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000793168418 658365480 /nfs/dbraw/zinc/36/54/80/658365480.db2.gz VUVLMUFRRJTVLK-UHFFFAOYSA-N -1 0 391.243 2.668 20 5 GFBDRM CNc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000793328971 658385811 /nfs/dbraw/zinc/38/58/11/658385811.db2.gz LZXUXJGBMZIIER-UHFFFAOYSA-N -1 0 383.813 2.550 20 5 GFBDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000794428468 658543093 /nfs/dbraw/zinc/54/30/93/658543093.db2.gz PTXZAJDERDMTLB-UHFFFAOYSA-N -1 0 398.135 2.753 20 5 GFBDRM Cc1c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cccc1NC(=O)N(C)C ZINC000794595900 658573098 /nfs/dbraw/zinc/57/30/98/658573098.db2.gz VIAJRHKQLWCMPH-UHFFFAOYSA-N -1 0 384.439 2.859 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2c(F)cccc2CO)c1 ZINC000795346225 658809006 /nfs/dbraw/zinc/80/90/06/658809006.db2.gz OLVGWJAZDRFYAS-UHFFFAOYSA-N -1 0 378.740 2.820 20 5 GFBDRM COC[C@H](C)n1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n1 ZINC000795349624 658809686 /nfs/dbraw/zinc/80/96/86/658809686.db2.gz 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O=C(NC[C@H](O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000800586920 659321151 /nfs/dbraw/zinc/32/11/51/659321151.db2.gz RMTJLKKBVYVURT-AWEZNQCLSA-N -1 0 381.182 2.526 20 5 GFBDRM CCc1oncc1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000800844195 659338912 /nfs/dbraw/zinc/33/89/12/659338912.db2.gz MQUVOAWZYTWIED-UHFFFAOYSA-N -1 0 376.188 2.709 20 5 GFBDRM O=C([N-]S(=O)(=O)c1cc(Br)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000806096245 659820652 /nfs/dbraw/zinc/82/06/52/659820652.db2.gz BPLGSQZBQSJHMK-UHFFFAOYSA-N -1 0 391.224 2.538 20 5 GFBDRM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[C@@H](O)c1ccccc1 ZINC000808340343 659890055 /nfs/dbraw/zinc/89/00/55/659890055.db2.gz KUUPOUXKJCQIST-BJOHPYRUSA-N -1 0 388.804 2.788 20 5 GFBDRM Cc1cccc(CC(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1Cl ZINC000810657552 659982042 /nfs/dbraw/zinc/98/20/42/659982042.db2.gz KURCCJQYFAJLMI-UHFFFAOYSA-N -1 0 386.788 2.743 20 5 GFBDRM CC[C@@H](CS(=O)(=O)[N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)OC ZINC000817141639 660182042 /nfs/dbraw/zinc/18/20/42/660182042.db2.gz ISMBSYHLEQXRSB-UFBFGSQYSA-N -1 0 388.339 2.682 20 5 GFBDRM CC(C)OCCS(=O)(=O)[N-][C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841561080 661301468 /nfs/dbraw/zinc/30/14/68/661301468.db2.gz MOAMCBNBRVKOCM-GFCCVEGCSA-N -1 0 388.339 2.682 20 5 GFBDRM CC[C@H](C)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-] ZINC000841776384 661312231 /nfs/dbraw/zinc/31/22/31/661312231.db2.gz ISOANSMSWCZNFX-KGFZYKRKSA-N -1 0 385.225 2.679 20 5 GFBDRM CC(C)(CCC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000841776436 661312328 /nfs/dbraw/zinc/31/23/28/661312328.db2.gz QIWWEDPEYWFZGF-UHFFFAOYSA-N -1 0 385.225 2.823 20 5 GFBDRM CC(C)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-] ZINC000841777363 661312609 /nfs/dbraw/zinc/31/26/09/661312609.db2.gz UMIPPNQSGUCQBL-SECBINFHSA-N -1 0 385.225 2.679 20 5 GFBDRM CCCC1(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000842451411 661340093 /nfs/dbraw/zinc/34/00/93/661340093.db2.gz 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C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185650391 552368116 /nfs/dbraw/zinc/36/81/16/552368116.db2.gz IKWQXTALNRECNH-HSZRJFAPSA-N -1 0 388.854 2.928 20 5 GFBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nc(-c2cccs2)nn1C ZINC000193728022 553001714 /nfs/dbraw/zinc/00/17/14/553001714.db2.gz AZFGKTWROZCGNF-UHFFFAOYSA-N -1 0 379.423 2.561 20 5 GFBDRM CN(Cc1ccc(Br)o1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237259406 553076517 /nfs/dbraw/zinc/07/65/17/553076517.db2.gz CJNLZINRSLJUNW-UHFFFAOYSA-N -1 0 383.154 2.921 20 5 GFBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ncc(C2CCOCC2)s1 ZINC000296756454 563300192 /nfs/dbraw/zinc/30/01/92/563300192.db2.gz QEBMEKQECLMGRW-UHFFFAOYSA-N -1 0 387.414 2.885 20 5 GFBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccn(CCC(F)(F)F)n1 ZINC000424080335 563370285 /nfs/dbraw/zinc/37/02/85/563370285.db2.gz HZNUUBREQCCAEE-UHFFFAOYSA-N -1 0 378.332 2.853 20 5 GFBDRM COCc1nc(=NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s[n-]1 ZINC000426513947 563452412 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GFBDRM COc1cc(C(=O)Nc2cccc(OCCNC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000739854256 602274362 /nfs/dbraw/zinc/27/43/62/602274362.db2.gz WRASEUNEXSOSAG-UHFFFAOYSA-N -1 0 375.337 2.502 20 5 GFBDRM COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2C(=O)[O-])cc1SC ZINC000739869612 602294099 /nfs/dbraw/zinc/29/40/99/602294099.db2.gz AGJPXRLCUOIGOC-SNVBAGLBSA-N -1 0 383.426 2.588 20 5 GFBDRM CNc1cc(N2CCC[C@H]2CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)ncn1 ZINC000568395336 602316624 /nfs/dbraw/zinc/31/66/24/602316624.db2.gz GAHWDIZREZMHKP-ZDUSSCGKSA-N -1 0 386.412 2.514 20 5 GFBDRM Cc1cc(N2CCn3c(Cc4ccccc4)nnc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891992 602320023 /nfs/dbraw/zinc/32/00/23/602320023.db2.gz PWFJVSCSLVCOMN-UHFFFAOYSA-N -1 0 393.403 2.804 20 5 GFBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739049638 602417961 /nfs/dbraw/zinc/41/79/61/602417961.db2.gz YUQAFUQRHPEXGP-GHMZBOCLSA-N -1 0 385.804 2.522 20 5 GFBDRM CCc1n[nH]c(C(=O)NC[C@H](NC(=O)[O-])c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000739538442 602420372 /nfs/dbraw/zinc/42/03/72/602420372.db2.gz FOANBDGJCBKGSV-AWEZNQCLSA-N -1 0 389.412 2.742 20 5 GFBDRM CS(=O)(=O)c1ccc(N[C@@H](CNC(=O)[O-])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000739993698 602455723 /nfs/dbraw/zinc/45/57/23/602455723.db2.gz IOCWYJFGXRLRSI-AWEZNQCLSA-N -1 0 385.442 2.627 20 5 GFBDRM O=C([O-])Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000738662950 602462065 /nfs/dbraw/zinc/46/20/65/602462065.db2.gz DXBNIWQHCQGCNX-GFCCVEGCSA-N -1 0 388.336 2.521 20 5 GFBDRM Cc1cc(Cl)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826267634 607573275 /nfs/dbraw/zinc/57/32/75/607573275.db2.gz OBZABWYEIIGLJV-UHFFFAOYSA-N -1 0 395.784 2.504 20 5 GFBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@H](C)N1C(=O)[O-] ZINC000739172063 602763096 /nfs/dbraw/zinc/76/30/96/602763096.db2.gz YKXKIHJHLABQFF-IUCAKERBSA-N -1 0 386.202 2.570 20 5 GFBDRM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000740625853 602796165 /nfs/dbraw/zinc/79/61/65/602796165.db2.gz BUZDSSLUWDOMMD-HUUCEWRRSA-N -1 0 390.440 2.751 20 5 GFBDRM O=C([O-])N1CCC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000831641110 602802440 /nfs/dbraw/zinc/80/24/40/602802440.db2.gz QVPLNMXQRORHBO-VIFPVBQESA-N -1 0 375.303 2.733 20 5 GFBDRM CC(C)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC(=O)[O-] ZINC000738784559 602821767 /nfs/dbraw/zinc/82/17/67/602821767.db2.gz OOSQCIRFKOAGQQ-JTQLQIEISA-N -1 0 376.316 2.610 20 5 GFBDRM CC(C)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC(=O)[O-] ZINC000738784560 602821807 /nfs/dbraw/zinc/82/18/07/602821807.db2.gz OOSQCIRFKOAGQQ-SNVBAGLBSA-N -1 0 376.316 2.610 20 5 GFBDRM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739066739 602833600 /nfs/dbraw/zinc/83/36/00/602833600.db2.gz ZHMUBYMVHVPFJB-SDDRHHMPSA-N -1 0 375.385 2.778 20 5 GFBDRM 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552287194 /nfs/dbraw/zinc/28/71/94/552287194.db2.gz OHQPEGMKGQUCAF-UHFFFAOYSA-N -1 0 377.407 2.618 20 5 GFBDRM CCn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)cn1 ZINC000187263222 552411118 /nfs/dbraw/zinc/41/11/18/552411118.db2.gz VTDDWUAYQFRJBG-UHFFFAOYSA-N -1 0 389.231 2.683 20 5 GFBDRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000194929576 553034112 /nfs/dbraw/zinc/03/41/12/553034112.db2.gz ADNRRGCTLQZAIJ-CQSZACIVSA-N -1 0 393.193 2.783 20 5 GFBDRM O=C([O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000238029530 553085215 /nfs/dbraw/zinc/08/52/15/553085215.db2.gz DMVLWFNPFUOTID-CYBMUJFWSA-N -1 0 379.166 2.913 20 5 GFBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC000261606303 553154097 /nfs/dbraw/zinc/15/40/97/553154097.db2.gz CTOFPYMUQSSTQE-CYBMUJFWSA-N -1 0 378.328 2.796 20 5 GFBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261639923 553154986 /nfs/dbraw/zinc/15/49/86/553154986.db2.gz IEGVZCPRSVVHNC-GAFUQQFSSA-N -1 0 388.829 2.655 20 5 GFBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262479020 553171511 /nfs/dbraw/zinc/17/15/11/553171511.db2.gz VLKUADLFVZXLSH-GAFUQQFSSA-N -1 0 388.829 2.655 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCCC1(O)CCC1 ZINC000420717715 563278627 /nfs/dbraw/zinc/27/86/27/563278627.db2.gz MEGVXVUOQCGQCP-UHFFFAOYSA-N -1 0 383.253 2.875 20 5 GFBDRM COc1cc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c([N+](=O)[O-])cc1F ZINC000294932541 563222450 /nfs/dbraw/zinc/22/24/50/563222450.db2.gz LLSXNCRBBPOKTI-UHFFFAOYSA-N -1 0 380.279 2.951 20 5 GFBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000297342625 563324471 /nfs/dbraw/zinc/32/44/71/563324471.db2.gz YODWRMVJSOHPGT-SNVBAGLBSA-N -1 0 390.845 2.760 20 5 GFBDRM COc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CSCC3)c([N+](=O)[O-])c1 ZINC000375715577 563415267 /nfs/dbraw/zinc/41/52/67/563415267.db2.gz XJLMYFITAPYVPK-UHFFFAOYSA-N -1 0 387.464 2.650 20 5 GFBDRM CCC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000325041928 563452997 /nfs/dbraw/zinc/45/29/97/563452997.db2.gz PWIJGRYWJSYGNF-UHFFFAOYSA-N -1 0 376.818 2.514 20 5 GFBDRM Cn1cnc(-c2ccc(F)cc2)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000377964167 563492771 /nfs/dbraw/zinc/49/27/71/563492771.db2.gz FJGSXQITLMSBNS-UHFFFAOYSA-N -1 0 382.398 2.997 20 5 GFBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1nc(C2CCOCC2)cs1 ZINC000285126971 563504398 /nfs/dbraw/zinc/50/43/98/563504398.db2.gz POTHGYYDMCHIIQ-UHFFFAOYSA-N -1 0 387.414 2.885 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000286495495 563562616 /nfs/dbraw/zinc/56/26/16/563562616.db2.gz QVRYDKBXZSWZFZ-CABZTGNLSA-N -1 0 378.809 2.623 20 5 GFBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1C(F)(F)F ZINC000436177009 563667000 /nfs/dbraw/zinc/66/70/00/563667000.db2.gz JHMMILVEXYHFNT-UHFFFAOYSA-N -1 0 378.332 2.710 20 5 GFBDRM CCS[C@H]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000414336066 563727842 /nfs/dbraw/zinc/72/78/42/563727842.db2.gz HNQKEPOVLQHTKG-RYUDHWBXSA-N -1 0 388.467 2.636 20 5 GFBDRM Cc1[nH]nc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1Br ZINC000414467806 563742768 /nfs/dbraw/zinc/74/27/68/563742768.db2.gz DUJOJXYQMWJWGT-UHFFFAOYSA-N -1 0 389.231 2.806 20 5 GFBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1O ZINC000442841267 563781269 /nfs/dbraw/zinc/78/12/69/563781269.db2.gz NXOWMIVZIQGUBG-UHFFFAOYSA-N -1 0 378.284 3.000 20 5 GFBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1CC(F)(F)F ZINC000416959340 563864257 /nfs/dbraw/zinc/86/42/57/563864257.db2.gz PZVMTLIOWYEZKU-UHFFFAOYSA-N -1 0 378.332 2.771 20 5 GFBDRM O=C([O-])c1cc(S(=O)(=O)N2CCc3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC000471117254 564185931 /nfs/dbraw/zinc/18/59/31/564185931.db2.gz TWIDSTVEBKOYLX-UHFFFAOYSA-N -1 0 382.781 2.698 20 5 GFBDRM Cc1[nH]nc(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)c1[N+](=O)[O-] ZINC000473385022 564246119 /nfs/dbraw/zinc/24/61/19/564246119.db2.gz KEUMGVNBLLBORF-UHFFFAOYSA-N -1 0 382.764 2.612 20 5 GFBDRM C[C@@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000565774796 564295108 /nfs/dbraw/zinc/29/51/08/564295108.db2.gz RYAGJGWKXKEMEK-PSASIEDQSA-N -1 0 390.177 2.746 20 5 GFBDRM CCOC(=O)c1ccsc1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000480229247 564465285 /nfs/dbraw/zinc/46/52/85/564465285.db2.gz AQOAMYNISPNTAN-UHFFFAOYSA-N -1 0 386.407 2.642 20 5 GFBDRM CS[C@@H]1CCCCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000515642973 564485191 /nfs/dbraw/zinc/48/51/91/564485191.db2.gz DNSUKNVFAFVKQT-LLVKDONJSA-N -1 0 388.467 2.508 20 5 GFBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000517028927 564521703 /nfs/dbraw/zinc/52/17/03/564521703.db2.gz QJPCRQLPARCBQA-UHFFFAOYSA-N -1 0 384.435 2.954 20 5 GFBDRM Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)oc1C ZINC000481961083 564529943 /nfs/dbraw/zinc/52/99/43/564529943.db2.gz LKGPOMXDEDCMIZ-UHFFFAOYSA-N -1 0 376.188 2.763 20 5 GFBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000573209490 564628039 /nfs/dbraw/zinc/62/80/39/564628039.db2.gz CXYSAHHLVLFQEW-OIBJUYFYSA-N -1 0 382.722 2.587 20 5 GFBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1cccs1 ZINC000575398406 564698150 /nfs/dbraw/zinc/69/81/50/564698150.db2.gz LKAWWKFFUCMBPQ-GFCCVEGCSA-N -1 0 382.419 2.880 20 5 GFBDRM C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000526059979 564718000 /nfs/dbraw/zinc/71/80/00/564718000.db2.gz JJAMJVQIZVPDPK-GFCCVEGCSA-N -1 0 383.209 2.529 20 5 GFBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000581610002 564810080 /nfs/dbraw/zinc/81/00/80/564810080.db2.gz WONHASDUJSRRSY-KRTXAFLBSA-N -1 0 382.722 2.729 20 5 GFBDRM COc1cc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccn1 ZINC000462464571 564841848 /nfs/dbraw/zinc/84/18/48/564841848.db2.gz PQROUTZICDQKAJ-UHFFFAOYSA-N -1 0 392.220 2.784 20 5 GFBDRM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000558350478 564898967 /nfs/dbraw/zinc/89/89/67/564898967.db2.gz MGMNEHYAIZECSC-PRHODGIISA-N -1 0 387.845 2.840 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nn2)c1 ZINC000468775554 564993810 /nfs/dbraw/zinc/99/38/10/564993810.db2.gz AXSBTZVEYRRMPN-UHFFFAOYSA-N -1 0 376.316 2.821 20 5 GFBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)nc1 ZINC000584398874 565079117 /nfs/dbraw/zinc/07/91/17/565079117.db2.gz ZZUDLJFEYILZDT-UHFFFAOYSA-N -1 0 385.785 2.539 20 5 GFBDRM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000588144568 565129017 /nfs/dbraw/zinc/12/90/17/565129017.db2.gz OKYNYSARXCHBJA-JTQLQIEISA-N -1 0 385.186 2.823 20 5 GFBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCN(Cc2cccs2)CC1 ZINC000592747394 565291415 /nfs/dbraw/zinc/29/14/15/565291415.db2.gz XJMCSNFANKYURL-UHFFFAOYSA-N -1 0 381.841 2.973 20 5 GFBDRM CC[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000594756477 565415298 /nfs/dbraw/zinc/41/52/98/565415298.db2.gz HPAHLYSSZBUFPY-ZETCQYMHSA-N -1 0 396.372 2.895 20 5 GFBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000600226424 565719054 /nfs/dbraw/zinc/71/90/54/565719054.db2.gz AYZBMXLTNNJRPO-MRVPVSSYSA-N -1 0 382.829 2.979 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1-n1ccnn1 ZINC000604113936 565922928 /nfs/dbraw/zinc/92/29/28/565922928.db2.gz KQUBNYOVXLHDHX-UHFFFAOYSA-N -1 0 379.785 2.630 20 5 GFBDRM COc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])nc1 ZINC000610316473 566076177 /nfs/dbraw/zinc/07/61/77/566076177.db2.gz UKJDYZALZILUPV-UHFFFAOYSA-N -1 0 388.199 2.562 20 5 GFBDRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cccc1-c1nn[nH]n1 ZINC000822121299 607254960 /nfs/dbraw/zinc/25/49/60/607254960.db2.gz CZBVJPTWZYDHMU-UHFFFAOYSA-N -1 0 394.800 2.538 20 5 GFBDRM O=C([O-])NCCCC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000739973048 599708238 /nfs/dbraw/zinc/70/82/38/599708238.db2.gz SQPIBKKOVPXZAE-UHFFFAOYSA-N -1 0 387.348 2.800 20 5 GFBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)c(Cl)c1 ZINC000740187047 599727579 /nfs/dbraw/zinc/72/75/79/599727579.db2.gz UWQFPNOUSMQGBZ-UHFFFAOYSA-N -1 0 375.717 2.853 20 5 GFBDRM COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000737905682 599732787 /nfs/dbraw/zinc/73/27/87/599732787.db2.gz OVGGBGGPCGYLBG-UHFFFAOYSA-N -1 0 387.753 2.723 20 5 GFBDRM O=C([O-])CCNC(=O)c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000486185950 599766103 /nfs/dbraw/zinc/76/61/03/599766103.db2.gz BAOCQMNRLGRSQT-UHFFFAOYSA-N -1 0 396.359 2.533 20 5 GFBDRM O=C([O-])N1CCC[C@@H](Nc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000739927237 599842687 /nfs/dbraw/zinc/84/26/87/599842687.db2.gz FOSKNEKQFOKOEH-SECBINFHSA-N -1 0 391.165 2.754 20 5 GFBDRM CC(C)CCSc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000262139773 599948107 /nfs/dbraw/zinc/94/81/07/599948107.db2.gz RVDOUDKOMBGERJ-AWEZNQCLSA-N -1 0 382.438 2.659 20 5 GFBDRM O=C([O-])[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Cc1cccc(F)c1 ZINC000740306620 599955196 /nfs/dbraw/zinc/95/51/96/599955196.db2.gz ZXVMOPGHZDDJHI-CYBMUJFWSA-N -1 0 387.367 2.974 20 5 GFBDRM C[C@@H](Sc1ccccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000531747437 600046664 /nfs/dbraw/zinc/04/66/64/600046664.db2.gz RPHIHXUEBQLVHN-GFCCVEGCSA-N -1 0 390.417 2.969 20 5 GFBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC000738068417 600047823 /nfs/dbraw/zinc/04/78/23/600047823.db2.gz KNZIMMFAFKHTJR-UHFFFAOYSA-N -1 0 388.361 2.867 20 5 GFBDRM COc1ccccc1NC(=O)Cc1noc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000738127265 600106571 /nfs/dbraw/zinc/10/65/71/600106571.db2.gz MKXMIRLDVVGULR-UHFFFAOYSA-N -1 0 398.331 2.533 20 5 GFBDRM CC[C@](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)(C(=O)[O-])c1ccccc1 ZINC000485344060 600128194 /nfs/dbraw/zinc/12/81/94/600128194.db2.gz FDHXSQWBZCJBLQ-HXUWFJFHSA-N -1 0 394.387 2.900 20 5 GFBDRM 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CC(C)CNC(=O)C1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000826886197 602250032 /nfs/dbraw/zinc/25/00/32/602250032.db2.gz UARNLZHKWDDRNB-UHFFFAOYSA-N -1 0 383.832 2.935 20 5 GFBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C(=O)[O-])Cc2ccccc21 ZINC000740154864 602255709 /nfs/dbraw/zinc/25/57/09/602255709.db2.gz XHEOXAGDMNBCPL-UHFFFAOYSA-N -1 0 384.392 2.842 20 5 GFBDRM CCc1nc(CN2CCC[C@@H](Nc3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)C2)no1 ZINC000830314940 602316912 /nfs/dbraw/zinc/31/69/12/602316912.db2.gz QDIAFRQSXKTMSQ-GFCCVEGCSA-N -1 0 389.412 2.623 20 5 GFBDRM Cc1cc(NC[C@H](O)COc2ccc(F)c(F)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896923 602317188 /nfs/dbraw/zinc/31/71/88/602317188.db2.gz OAPKLMNYJLLARZ-NSHDSACASA-N -1 0 382.319 2.731 20 5 GFBDRM CSCC[C@H](NC(=O)[O-])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000740007777 602361172 /nfs/dbraw/zinc/36/11/72/602361172.db2.gz DVOOATHGZHSPCM-LBPRGKRZSA-N -1 0 375.834 2.596 20 5 GFBDRM CN(CC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1)C(=O)[O-] ZINC000739656996 602372710 /nfs/dbraw/zinc/37/27/10/602372710.db2.gz OAJHGPCJBDAMBA-UHFFFAOYSA-N -1 0 376.413 2.631 20 5 GFBDRM CCOc1cc(NC(=O)N2CCC(NC(=O)[O-])CC2)c([N+](=O)[O-])cc1OCC ZINC000739496466 602583575 /nfs/dbraw/zinc/58/35/75/602583575.db2.gz MXLVSBSTCIJVLW-UHFFFAOYSA-N -1 0 396.400 2.656 20 5 GFBDRM O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000740676560 602646560 /nfs/dbraw/zinc/64/65/60/602646560.db2.gz UGYIJPXMWGJOLW-UHFFFAOYSA-N -1 0 384.392 2.754 20 5 GFBDRM C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)N1C(=O)[O-] ZINC000739173810 602765741 /nfs/dbraw/zinc/76/57/41/602765741.db2.gz LPLCOHFBTROTAJ-QWRGUYRKSA-N -1 0 390.421 2.931 20 5 GFBDRM C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C(=O)[O-] ZINC000739171940 602944232 /nfs/dbraw/zinc/94/42/32/602944232.db2.gz IGZKJUYSDHSFHL-SNVBAGLBSA-N -1 0 376.394 2.543 20 5 GFBDRM O=C([O-])NC[C@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000740622705 602955388 /nfs/dbraw/zinc/95/53/88/602955388.db2.gz KFKGHKHLLJBNPL-GFCCVEGCSA-N -1 0 385.804 2.666 20 5 GFBDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000738809610 602997212 /nfs/dbraw/zinc/99/72/12/602997212.db2.gz OWOXFBJSKFNLME-VIFPVBQESA-N -1 0 388.218 2.769 20 5 GFBDRM O=C([O-])N[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000740532866 603025076 /nfs/dbraw/zinc/02/50/76/603025076.db2.gz AAAGVDLJMSKNRH-OAHLLOKOSA-N -1 0 375.406 2.812 20 5 GFBDRM Cc1nn(CCC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000830870605 603177800 /nfs/dbraw/zinc/17/78/00/603177800.db2.gz KWQWDKNHJJIVQW-JTQLQIEISA-N -1 0 375.385 2.766 20 5 GFBDRM O=C([O-])N(CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Cc1cccnc1 ZINC000740427823 603194721 /nfs/dbraw/zinc/19/47/21/603194721.db2.gz CCAQLXCYUCVDDK-UHFFFAOYSA-N -1 0 392.799 2.943 20 5 GFBDRM Cc1ccc(NCCCNC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000740139530 603211674 /nfs/dbraw/zinc/21/16/74/603211674.db2.gz PSRAGUDKGATLLI-KBPBESRZSA-N -1 0 378.429 2.648 20 5 GFBDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000739210169 603216349 /nfs/dbraw/zinc/21/63/49/603216349.db2.gz PGMYZFQDYOGCGT-CABZTGNLSA-N -1 0 377.353 2.574 20 5 GFBDRM O=C([O-])N[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000740531604 603267724 /nfs/dbraw/zinc/26/77/24/603267724.db2.gz JBSQGMJDBRJDCX-HNNXBMFYSA-N -1 0 392.799 2.785 20 5 GFBDRM O=C([O-])N1CCc2ccc(NC(=O)NCCc3ccccc3[N+](=O)[O-])cc2C1 ZINC000831704742 603321264 /nfs/dbraw/zinc/32/12/64/603321264.db2.gz SNVYXARAXDAUTF-UHFFFAOYSA-N -1 0 384.392 2.995 20 5 GFBDRM O=C([O-])NC[C@H]1CCCC[C@H]1OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000832521196 603465381 /nfs/dbraw/zinc/46/53/81/603465381.db2.gz LNLXBQUBSXCFSC-CZUORRHYSA-N -1 0 388.380 2.764 20 5 GFBDRM CN(CC(C)(C)CNC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000828147196 603474197 /nfs/dbraw/zinc/47/41/97/603474197.db2.gz YJEPBBUFNFSNMD-UHFFFAOYSA-N -1 0 392.456 2.951 20 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CC(C)(NC(=O)[O-])C(C)(C)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000824029674 603776828 /nfs/dbraw/zinc/77/68/28/603776828.db2.gz LQUUTPIYWQSMTN-UHFFFAOYSA-N -1 0 392.368 2.760 20 5 GFBDRM CC(C)(NC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000824020402 603860173 /nfs/dbraw/zinc/86/01/73/603860173.db2.gz MHPYFOQIKSGPSM-LQDVMPOASA-N -1 0 376.413 2.803 20 5 GFBDRM C[C@@H](OC(=O)C[C@H]1CCCN1C(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000825578346 603942160 /nfs/dbraw/zinc/94/21/60/603942160.db2.gz AFKYSQRCICNSIS-ZWNOBZJWSA-N -1 0 390.352 2.782 20 5 GFBDRM O=C([O-])N1CCc2c1cccc2NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000831693032 603975518 /nfs/dbraw/zinc/97/55/18/603975518.db2.gz GMKOWGHFLIAFGC-UHFFFAOYSA-N -1 0 385.380 2.869 20 5 GFBDRM O=C([O-])N1CCc2c1cccc2NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000831699501 603982415 /nfs/dbraw/zinc/98/24/15/603982415.db2.gz KSPWFFQKBFJCHP-UHFFFAOYSA-N -1 0 386.364 2.836 20 5 GFBDRM COc1ccccc1[C@@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])NC(=O)[O-] ZINC000829599363 604032972 /nfs/dbraw/zinc/03/29/72/604032972.db2.gz UPPWGPQJYPKBCL-CQSZACIVSA-N -1 0 391.355 2.790 20 5 GFBDRM CC(C)NC(=O)c1ccc(N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000824372824 604050128 /nfs/dbraw/zinc/05/01/28/604050128.db2.gz FJLVLWSSVXFMOM-OCCSQVGLSA-N -1 0 378.429 2.606 20 5 GFBDRM CN(C[C@@H]1CCCN1c1cccnn1)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830718768 604263977 /nfs/dbraw/zinc/26/39/77/604263977.db2.gz YAKOVVMCNAHGTL-NSHDSACASA-N -1 0 391.815 2.842 20 5 GFBDRM Cc1cccc([C@@H]2CCCN2c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000832967856 604277004 /nfs/dbraw/zinc/27/70/04/604277004.db2.gz KZFWXGLALYXOHW-CJNGLKHVSA-N -1 0 398.419 2.843 20 5 GFBDRM COC[C@](C)(NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC000831623814 604336236 /nfs/dbraw/zinc/33/62/36/604336236.db2.gz SNEGXPRMPWOJHE-SFHVURJKSA-N -1 0 390.417 2.966 20 5 GFBDRM C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000827396225 604425856 /nfs/dbraw/zinc/42/58/56/604425856.db2.gz CELOTTPQVJEKKD-QFYYESIMSA-N -1 0 376.340 2.674 20 5 GFBDRM CCCOc1cc(NC(=O)NC2CN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OCCC ZINC000829527903 604446599 /nfs/dbraw/zinc/44/65/99/604446599.db2.gz MKAJJAHNHQQOQZ-UHFFFAOYSA-N -1 0 396.400 2.656 20 5 GFBDRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000825378188 604455231 /nfs/dbraw/zinc/45/52/31/604455231.db2.gz SJKFPKADIKUWIR-NSHDSACASA-N -1 0 391.355 2.758 20 5 GFBDRM C[C@H]1COCCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833631587 604466778 /nfs/dbraw/zinc/46/67/78/604466778.db2.gz LJHFTBDXJFQHMG-CYBMUJFWSA-N -1 0 384.388 2.997 20 5 GFBDRM Cc1cc([C@@H](C)OC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)oc1C(=O)[O-] ZINC000832864074 604542272 /nfs/dbraw/zinc/54/22/72/604542272.db2.gz YWRIKYDXMFEUJK-LLVKDONJSA-N -1 0 390.348 2.537 20 5 GFBDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2F)c(OC)c1 ZINC000833731777 604571783 /nfs/dbraw/zinc/57/17/83/604571783.db2.gz DSHSMPSYUNJUSB-HNNXBMFYSA-N -1 0 392.339 2.697 20 5 GFBDRM C[C@@H](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)[O-])CC1 ZINC000824647591 604655713 /nfs/dbraw/zinc/65/57/13/604655713.db2.gz YERXELLHNLQIHM-ZDUSSCGKSA-N -1 0 378.429 2.539 20 5 GFBDRM O=C([O-])CCc1csc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000833240567 604722543 /nfs/dbraw/zinc/72/25/43/604722543.db2.gz LLRVCZXPEOLBHI-UHFFFAOYSA-N -1 0 388.361 2.575 20 5 GFBDRM CCNc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000829809141 604841776 /nfs/dbraw/zinc/84/17/76/604841776.db2.gz QCWGMUYIYLIWPO-MRXNPFEDSA-N -1 0 387.392 2.981 20 5 GFBDRM COc1cc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC000537369105 604852890 /nfs/dbraw/zinc/85/28/90/604852890.db2.gz QNCQHIXESXIPQW-UHFFFAOYSA-N -1 0 380.740 2.973 20 5 GFBDRM 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ZINC000410404595 563589992 /nfs/dbraw/zinc/58/99/92/563589992.db2.gz HUEQCEMTRILKOC-UHFFFAOYSA-N -1 0 386.407 2.642 20 5 GFBDRM O=C(NCc1cn2cc(Br)ccc2n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436960527 563686590 /nfs/dbraw/zinc/68/65/90/563686590.db2.gz QYKXOWDEGUBAJT-UHFFFAOYSA-N -1 0 391.181 2.641 20 5 GFBDRM NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000438772629 563710672 /nfs/dbraw/zinc/71/06/72/563710672.db2.gz AJQQBVBCXUIXJG-UHFFFAOYSA-N -1 0 390.204 2.801 20 5 GFBDRM Cc1cc(I)cnc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000440681632 563747398 /nfs/dbraw/zinc/74/73/98/563747398.db2.gz UHKNZVQJUSFRIM-UHFFFAOYSA-N -1 0 399.144 2.861 20 5 GFBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(n2cc(Br)cn2)CC1 ZINC000364387245 563751934 /nfs/dbraw/zinc/75/19/34/563751934.db2.gz HMUPCGPIGUIJKW-UHFFFAOYSA-N -1 0 395.213 2.737 20 5 GFBDRM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)nn1CC(F)(F)F ZINC000416960484 563864188 /nfs/dbraw/zinc/86/41/88/563864188.db2.gz RKPAARCPFJDXBF-UHFFFAOYSA-N -1 0 378.332 2.771 20 5 GFBDRM CCOc1ccc([N-]S(=O)(=O)c2csc(C(=O)OC)c2)c([N+](=O)[O-])c1 ZINC000540696362 564255066 /nfs/dbraw/zinc/25/50/66/564255066.db2.gz MRJFURTYQDKIPZ-UHFFFAOYSA-N -1 0 386.407 2.642 20 5 GFBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc(CC(F)(F)F)cs1 ZINC000451054663 564267868 /nfs/dbraw/zinc/26/78/68/564267868.db2.gz JHHCNHPFVWWAAB-UHFFFAOYSA-N -1 0 397.356 2.966 20 5 GFBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1cc(Cl)cc2c1OCC2 ZINC000542763038 564324871 /nfs/dbraw/zinc/32/48/71/564324871.db2.gz YPJRCBABNTWLBR-UHFFFAOYSA-N -1 0 386.788 2.801 20 5 GFBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(-c2cccs2)o1 ZINC000476448345 564339696 /nfs/dbraw/zinc/33/96/96/564339696.db2.gz QPPDNFYRUXDKIC-UHFFFAOYSA-N -1 0 382.379 2.516 20 5 GFBDRM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000543164591 564341002 /nfs/dbraw/zinc/34/10/02/564341002.db2.gz RNEBOBPQTDVMIO-UHFFFAOYSA-N -1 0 383.407 2.516 20 5 GFBDRM COc1cc(C(=O)N=c2cc3ccc(Br)cn3[nH]2)ccc1[N+](=O)[O-] ZINC000511319559 564367150 /nfs/dbraw/zinc/36/71/50/564367150.db2.gz LRBNMADOVSWFKK-UHFFFAOYSA-N -1 0 391.181 2.688 20 5 GFBDRM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000544192176 564379257 /nfs/dbraw/zinc/37/92/57/564379257.db2.gz OAHBDKDCSDUGAF-HTQZYQBOSA-N -1 0 399.252 2.768 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCC[C@H]1CCOC1 ZINC000452019364 564383144 /nfs/dbraw/zinc/38/31/44/564383144.db2.gz QEVIDJGNTXKQGW-VIFPVBQESA-N -1 0 383.253 2.997 20 5 GFBDRM CS[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000567798359 564389175 /nfs/dbraw/zinc/38/91/75/564389175.db2.gz NFOBXWSFPLPGOQ-GHMZBOCLSA-N -1 0 388.467 2.554 20 5 GFBDRM Cc1sc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000547892561 564516619 /nfs/dbraw/zinc/51/66/19/564516619.db2.gz YNPVPSOQDGQZHE-SNVBAGLBSA-N -1 0 384.435 2.629 20 5 GFBDRM C[C@@H]1CC[C@](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])(CC(=O)[O-])C1 ZINC000547901104 564518430 /nfs/dbraw/zinc/51/84/30/564518430.db2.gz KSSZUEXXEJQQHL-MEBBXXQBSA-N -1 0 390.845 2.808 20 5 GFBDRM CCc1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)s1 ZINC000517062954 564523200 /nfs/dbraw/zinc/52/32/00/564523200.db2.gz ZDIBOPRZWKEUDG-UHFFFAOYSA-N -1 0 384.435 2.704 20 5 GFBDRM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F ZINC000547947779 564524954 /nfs/dbraw/zinc/52/49/54/564524954.db2.gz PSRKAKLMIRQNOT-NSHDSACASA-N -1 0 375.328 2.614 20 5 GFBDRM COC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000481925444 564527760 /nfs/dbraw/zinc/52/77/60/564527760.db2.gz SOLOYZHAPJDSRZ-UHFFFAOYSA-N -1 0 388.398 3.000 20 5 GFBDRM Cc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccsc2)cc([N+](=O)[O-])c1C ZINC000548198129 564535062 /nfs/dbraw/zinc/53/50/62/564535062.db2.gz FUBNDPWEKLVTDF-CYBMUJFWSA-N -1 0 384.435 2.767 20 5 GFBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccsc1 ZINC000548198366 564536001 /nfs/dbraw/zinc/53/60/01/564536001.db2.gz NREYTYSQQBUQRE-ZDUSSCGKSA-N -1 0 384.435 2.713 20 5 GFBDRM O=C([O-])CCCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000548251714 564543681 /nfs/dbraw/zinc/54/36/81/564543681.db2.gz FNQDXCAWJDABTN-UHFFFAOYSA-N -1 0 384.435 2.712 20 5 GFBDRM O=C([O-])CN(C1CCCC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000548552174 564559464 /nfs/dbraw/zinc/55/94/64/564559464.db2.gz SJVKPEPLUHQMBC-UHFFFAOYSA-N -1 0 397.236 2.920 20 5 GFBDRM O=C([O-])c1csc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000520225457 564600109 /nfs/dbraw/zinc/60/01/09/564600109.db2.gz HBRNZSPYAPKFRI-UHFFFAOYSA-N -1 0 382.419 2.708 20 5 GFBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nn(C)cc2Br)c1[N+](=O)[O-] ZINC000573920421 564659963 /nfs/dbraw/zinc/65/99/63/564659963.db2.gz NQCQIQFZNNQOHE-UHFFFAOYSA-N -1 0 389.231 2.508 20 5 GFBDRM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000574450560 564674576 /nfs/dbraw/zinc/67/45/76/564674576.db2.gz SICWNPFHQSPGJE-CYBMUJFWSA-N -1 0 382.419 2.880 20 5 GFBDRM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000491066955 564785195 /nfs/dbraw/zinc/78/51/95/564785195.db2.gz PJNFDDLRJFAQQD-UHFFFAOYSA-N -1 0 384.801 2.800 20 5 GFBDRM C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)Cc1cccs1 ZINC000581432671 564802740 /nfs/dbraw/zinc/80/27/40/564802740.db2.gz GRZIUUNETJIBBN-SNVBAGLBSA-N -1 0 384.435 2.512 20 5 GFBDRM CCC[C@@H](CCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000555954956 564809518 /nfs/dbraw/zinc/80/95/18/564809518.db2.gz IQYUAVVMCVJAJB-NSHDSACASA-N -1 0 378.472 2.914 20 5 GFBDRM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000462363850 564835321 /nfs/dbraw/zinc/83/53/21/564835321.db2.gz ZBAFPNKFGMCWKF-CKLFPEKLSA-N -1 0 395.264 2.993 20 5 GFBDRM CCC(CC)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000583083211 564875710 /nfs/dbraw/zinc/87/57/10/564875710.db2.gz KJFAPRJTHIEWLS-UHFFFAOYSA-N -1 0 384.332 2.535 20 5 GFBDRM COC(=O)c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc([N+](=O)[O-])c1 ZINC000463784571 564889661 /nfs/dbraw/zinc/88/96/61/564889661.db2.gz CKFJPTJUEXLVEB-UHFFFAOYSA-N -1 0 388.760 2.975 20 5 GFBDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000560010587 564944942 /nfs/dbraw/zinc/94/49/42/564944942.db2.gz NCZYJTNRVQWIPJ-UHFFFAOYSA-N -1 0 389.231 2.508 20 5 GFBDRM O=C([O-])[C@H]1CCCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000614381777 565111090 /nfs/dbraw/zinc/11/10/90/565111090.db2.gz KTHBRJQLUNJOBH-SNVBAGLBSA-N -1 0 397.236 2.920 20 5 GFBDRM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000616059551 565187175 /nfs/dbraw/zinc/18/71/75/565187175.db2.gz WGHAJCMVTQIJSG-UHFFFAOYSA-N -1 0 384.439 2.736 20 5 GFBDRM Cc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])c2cccs2)cc([N+](=O)[O-])c1C ZINC000590763415 565202356 /nfs/dbraw/zinc/20/23/56/565202356.db2.gz ILVZLAFQLHOXFE-GFCCVEGCSA-N -1 0 384.435 2.767 20 5 GFBDRM C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593944735 565369957 /nfs/dbraw/zinc/36/99/57/565369957.db2.gz KPMPQLPZCXSVEW-LPEHRKFASA-N -1 0 390.845 2.662 20 5 GFBDRM C[C@@H](C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1)C(=O)[O-] ZINC000594573802 565400145 /nfs/dbraw/zinc/40/01/45/565400145.db2.gz SVXDFFCGJXUMOI-QWRGUYRKSA-N -1 0 390.845 2.760 20 5 GFBDRM C[C@H](C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1)C(=O)[O-] ZINC000594573801 565400202 /nfs/dbraw/zinc/40/02/02/565400202.db2.gz SVXDFFCGJXUMOI-MNOVXSKESA-N -1 0 390.845 2.760 20 5 GFBDRM C[C@@H](C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000594574224 565400701 /nfs/dbraw/zinc/40/07/01/565400701.db2.gz IXIWJQFVPNZBMF-JQWIXIFHSA-N -1 0 390.845 2.902 20 5 GFBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@H]1CCCOc2c(Cl)cccc21 ZINC000594773284 565419558 /nfs/dbraw/zinc/41/95/58/565419558.db2.gz PFGFHCAGEQKDMI-LBPRGKRZSA-N -1 0 383.813 2.835 20 5 GFBDRM 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ZINC000821510573 597372398 /nfs/dbraw/zinc/37/23/98/597372398.db2.gz JBLAFOLHDTWZSM-UHFFFAOYSA-N -1 0 391.605 2.948 20 5 GFBDRM COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000820738387 598150179 /nfs/dbraw/zinc/15/01/79/598150179.db2.gz ACCDAMLQSFYQTP-UHFFFAOYSA-N -1 0 382.438 2.707 20 5 GFBDRM CC(=O)c1[nH]c(CC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c(C(=O)[O-])c1C ZINC000736175024 599746345 /nfs/dbraw/zinc/74/63/45/599746345.db2.gz AOCKJNKWMQCHFH-UHFFFAOYSA-N -1 0 379.756 2.967 20 5 GFBDRM Cc1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000738259882 599861580 /nfs/dbraw/zinc/86/15/80/599861580.db2.gz ROIMOIGPYIWQDS-AWEZNQCLSA-N -1 0 387.348 2.546 20 5 GFBDRM C[C@H](OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(C(=O)[O-])o1 ZINC000736693241 599876913 /nfs/dbraw/zinc/87/69/13/599876913.db2.gz NOURKASBKLKCAX-QMMMGPOBSA-N -1 0 396.739 2.574 20 5 GFBDRM O=C([O-])CSCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000485809256 599889032 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MTEFWXLCEQLCHX-UHFFFAOYSA-N -1 0 384.797 2.757 20 5 GFBDRM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[C@H](O)c1ccccc1 ZINC000808340344 659890047 /nfs/dbraw/zinc/89/00/47/659890047.db2.gz KUUPOUXKJCQIST-PSLIRLAXSA-N -1 0 388.804 2.788 20 5 GFBDRM CCC/C=C/C(=O)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000810733110 659984012 /nfs/dbraw/zinc/98/40/12/659984012.db2.gz QZLIHQSNANGTDS-SNAWJCMRSA-N -1 0 395.206 2.658 20 5 GFBDRM COCCCCS(=O)(=O)[N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841560255 661301097 /nfs/dbraw/zinc/30/10/97/661301097.db2.gz GOYUUXOKEPOVMB-LBPRGKRZSA-N -1 0 388.339 2.683 20 5 GFBDRM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])nn1CC(F)(F)F ZINC000841676094 661308333 /nfs/dbraw/zinc/30/83/33/661308333.db2.gz MBWFRIMTYWYLKM-UHFFFAOYSA-N -1 0 382.295 2.602 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC12CCC2 ZINC000842451080 661340084 /nfs/dbraw/zinc/34/00/84/661340084.db2.gz HKVCBAJFMQCUTH-VIFPVBQESA-N -1 0 378.328 2.609 20 5 GFBDRM C[C@@H]1SCC[C@H]1NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000844109678 661405276 /nfs/dbraw/zinc/40/52/76/661405276.db2.gz XGFMESJMNOTNHS-WCBMZHEXSA-N -1 0 382.829 2.763 20 5 GFBDRM CCc1nn(C)c(NCc2ccc(C(=O)[O-])cc2Br)c1[N+](=O)[O-] ZINC000844218177 661410024 /nfs/dbraw/zinc/41/00/24/661410024.db2.gz IOYZKBDYQWNOSF-UHFFFAOYSA-N -1 0 383.202 2.964 20 5 GFBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000848509744 661659370 /nfs/dbraw/zinc/65/93/70/661659370.db2.gz MGGMMBKKWOBUNI-KCJUWKMLSA-N -1 0 386.323 2.512 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC3(CCCC3)[C@@H]2C(=O)[O-])c1 ZINC000849220590 661697863 /nfs/dbraw/zinc/69/78/63/661697863.db2.gz GGXYTMGSIQTILF-ZDUSSCGKSA-N -1 0 388.829 2.575 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CC2(Cl)Cl)cc([N+](=O)[O-])c1C ZINC000850732814 661789261 /nfs/dbraw/zinc/78/92/61/661789261.db2.gz DUGBHMQKXXIEIG-SNVBAGLBSA-N -1 0 395.264 2.991 20 5 GFBDRM O=C(CC[C@@H]1CC1(Cl)Cl)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000850782337 661790853 /nfs/dbraw/zinc/79/08/53/661790853.db2.gz KBPBHGRHVLSUNU-SSDOTTSWSA-N -1 0 385.200 2.513 20 5 GFBDRM CO[C@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000850794904 661791056 /nfs/dbraw/zinc/79/10/56/661791056.db2.gz RBDNUYCQLZSHSK-ZDUSSCGKSA-N -1 0 390.845 2.648 20 5 GFBDRM CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC ZINC000851023268 661802454 /nfs/dbraw/zinc/80/24/54/661802454.db2.gz AORDARWSHSLGMG-HNNXBMFYSA-N -1 0 375.422 2.750 20 5 GFBDRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000856990795 662056893 /nfs/dbraw/zinc/05/68/93/662056893.db2.gz IIDUYEIXVPUMOR-SCZZXKLOSA-N -1 0 389.177 2.870 20 5 GFBDRM O=C([O-])CS[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000864220655 662362662 /nfs/dbraw/zinc/36/26/62/662362662.db2.gz GCPYSSOFMOTIJB-VIFPVBQESA-N -1 0 386.735 2.727 20 5 GFBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1csc2c1CCCC2 ZINC000917445335 664483493 /nfs/dbraw/zinc/48/34/93/664483493.db2.gz GTWVTQQPRPBIQU-UHFFFAOYSA-N -1 0 384.410 2.793 20 5 GFBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000917733076 664489344 /nfs/dbraw/zinc/48/93/44/664489344.db2.gz RBTMGEWMQHDOOZ-UHFFFAOYSA-N -1 0 376.268 2.856 20 5 GFBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(-n2nccn2)cc1 ZINC000145928660 677402631 /nfs/dbraw/zinc/40/26/31/677402631.db2.gz CWWAFNYADZOMKS-UHFFFAOYSA-N -1 0 379.785 2.630 20 5 GFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000152980586 551444249 /nfs/dbraw/zinc/44/42/49/551444249.db2.gz IDXOJCWBBINDIX-UHFFFAOYSA-N -1 0 377.407 2.618 20 5 GFBDRM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000156567946 551525033 /nfs/dbraw/zinc/52/50/33/551525033.db2.gz GALDHWLNBCAYIZ-AWEZNQCLSA-N -1 0 384.841 2.823 20 5 GFBDRM COc1cc(S(=O)(=O)[N-]c2cncc(Br)c2)ccc1[N+](=O)[O-] ZINC000158203895 551548612 /nfs/dbraw/zinc/54/86/12/551548612.db2.gz DZFUCHVEBLWDJY-UHFFFAOYSA-N -1 0 388.199 2.562 20 5 GFBDRM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl ZINC000172183193 551672388 /nfs/dbraw/zinc/67/23/88/551672388.db2.gz ZKLIBUULLYXDDN-UHFFFAOYSA-N -1 0 383.813 2.717 20 5 GFBDRM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174914441 552112488 /nfs/dbraw/zinc/11/24/88/552112488.db2.gz XPKXYJXZHYYHRQ-UHFFFAOYSA-N -1 0 375.566 2.552 20 5 GFBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000179546023 552196124 /nfs/dbraw/zinc/19/61/24/552196124.db2.gz AGGOGRXCWYSJOE-UHFFFAOYSA-N -1 0 377.300 2.818 20 5 GFBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccccc1C[S@](C)=O ZINC000185659862 552368741 /nfs/dbraw/zinc/36/87/41/552368741.db2.gz NLPJUYVVRYHKKZ-DEOSSOPVSA-N -1 0 382.463 2.891 20 5 GFBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C(N)=O)cc1[N+](=O)[O-] ZINC000191788024 552537933 /nfs/dbraw/zinc/53/79/33/552537933.db2.gz DXYRJPWCOIWPNE-UHFFFAOYSA-N -1 0 383.813 2.765 20 5 GFBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)c1 ZINC000194819446 553030921 /nfs/dbraw/zinc/03/09/21/553030921.db2.gz MWFLBWBJKIJVEU-UHFFFAOYSA-N -1 0 379.785 2.630 20 5 GFBDRM CC[S@](=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000246542672 553109390 /nfs/dbraw/zinc/10/93/90/553109390.db2.gz GFPFYZQGNLSVRZ-CDEUHXGRSA-N -1 0 388.511 2.570 20 5 GFBDRM Cn1nc([C@H]2CCCO2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000278795708 563270880 /nfs/dbraw/zinc/27/08/80/563270880.db2.gz HGTBMALYEFYWJM-GFCCVEGCSA-N -1 0 386.817 2.634 20 5 GFBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccn(CCC(F)(F)F)n1 ZINC000424087220 563370272 /nfs/dbraw/zinc/37/02/72/563370272.db2.gz RCBNUCINBFRYOT-UHFFFAOYSA-N -1 0 378.332 2.853 20 5 GFBDRM O=C([O-])c1ccc([C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000375269184 563398186 /nfs/dbraw/zinc/39/81/86/563398186.db2.gz IACWXIFMLICIMO-GFCCVEGCSA-N -1 0 382.419 2.880 20 5 GFBDRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000327233206 563457089 /nfs/dbraw/zinc/45/70/89/563457089.db2.gz OPKAEIZREDQTKG-LLVKDONJSA-N -1 0 382.781 2.625 20 5 GFBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1c1ccsc1 ZINC000392603009 563527006 /nfs/dbraw/zinc/52/70/06/563527006.db2.gz FFFQHKVBRYLONK-ZDUSSCGKSA-N -1 0 382.419 2.880 20 5 GFBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000429901837 563528132 /nfs/dbraw/zinc/52/81/32/563528132.db2.gz NBEONWMQHULJTC-UHFFFAOYSA-N -1 0 382.266 2.769 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)[C@@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000399648579 563533560 /nfs/dbraw/zinc/53/35/60/563533560.db2.gz MGVGGGLFQWSPJC-ZANVPECISA-N -1 0 378.834 2.580 20 5 GFBDRM C[C@@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1ncc(Br)cn1 ZINC000431493768 563561588 /nfs/dbraw/zinc/56/15/88/563561588.db2.gz JBXGOJXMFUMUDL-MRVPVSSYSA-N -1 0 391.185 2.792 20 5 GFBDRM CSc1ccccc1N(C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000432185486 563576531 /nfs/dbraw/zinc/57/65/31/563576531.db2.gz KMZJGIWWMZTNPN-UHFFFAOYSA-N -1 0 382.419 2.840 20 5 GFBDRM CCn1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C(F)(F)F ZINC000410402257 563589879 /nfs/dbraw/zinc/58/98/79/563589879.db2.gz ILEXKBUBCWFHPN-UHFFFAOYSA-N -1 0 378.332 2.939 20 5 GFBDRM Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1I ZINC000436844222 563681009 /nfs/dbraw/zinc/68/10/09/563681009.db2.gz MBQRPOSADHUNQK-UHFFFAOYSA-N -1 0 399.144 2.861 20 5 GFBDRM CCCCCc1nnc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000437168220 563690009 /nfs/dbraw/zinc/69/00/09/563690009.db2.gz PYYISYPBQVAWBD-UHFFFAOYSA-N -1 0 386.455 2.988 20 5 GFBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)nnc1C ZINC000446823642 563869490 /nfs/dbraw/zinc/86/94/90/563869490.db2.gz OLRYLARGIFZXAW-UHFFFAOYSA-N -1 0 387.215 2.565 20 5 GFBDRM O=C(N=c1nc(-c2ccsc2)[n-]s1)NCCc1cccc([N+](=O)[O-])c1 ZINC000447999492 563892886 /nfs/dbraw/zinc/89/28/86/563892886.db2.gz KDHVJOQWRXHUIJ-UHFFFAOYSA-N -1 0 375.435 2.961 20 5 GFBDRM Cc1oc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000538473275 564191866 /nfs/dbraw/zinc/19/18/66/564191866.db2.gz NTEXHUQGZDMDNR-UHFFFAOYSA-N -1 0 383.154 2.887 20 5 GFBDRM O=C([O-])[C@@H]1CCCCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000563689924 564201868 /nfs/dbraw/zinc/20/18/68/564201868.db2.gz SHLXUANXAXNBTO-LBPRGKRZSA-N -1 0 376.818 2.656 20 5 GFBDRM O=C(N=c1ccc(C(F)(F)F)n[n-]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000471929436 564208001 /nfs/dbraw/zinc/20/80/01/564208001.db2.gz DPPZZSCFUGMKLQ-UHFFFAOYSA-N -1 0 375.694 2.801 20 5 GFBDRM O=C([O-])C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Br)cc1 ZINC000539575313 564223166 /nfs/dbraw/zinc/22/31/66/564223166.db2.gz HFGDPOBPNJSTLJ-LLVKDONJSA-N -1 0 382.170 2.631 20 5 GFBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nc3cc(Cl)ccn3n2)c1C ZINC000564560373 564239392 /nfs/dbraw/zinc/23/93/92/564239392.db2.gz ATRYPHJHIILXDT-UHFFFAOYSA-N -1 0 381.801 2.709 20 5 GFBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)c([N+](=O)[O-])c1 ZINC000451101580 564275206 /nfs/dbraw/zinc/27/52/06/564275206.db2.gz DUTIEXXQDYEPMJ-UHFFFAOYSA-N -1 0 385.423 2.762 20 5 GFBDRM CCS[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000565428571 564279612 /nfs/dbraw/zinc/27/96/12/564279612.db2.gz QHVLSNNJJFNRIK-GHMZBOCLSA-N -1 0 388.467 2.636 20 5 GFBDRM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000510538588 564337695 /nfs/dbraw/zinc/33/76/95/564337695.db2.gz MVFTYMFUHVRUJG-RKDXNWHRSA-N -1 0 383.253 2.853 20 5 GFBDRM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F)OCCO2 ZINC000476811261 564353833 /nfs/dbraw/zinc/35/38/33/564353833.db2.gz WNVMZAAHMUBTQB-UHFFFAOYSA-N -1 0 388.760 2.959 20 5 GFBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000543619324 564356578 /nfs/dbraw/zinc/35/65/78/564356578.db2.gz BVRULDVZSXVGRG-LLVKDONJSA-N -1 0 392.767 2.538 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CC12CCOCC2 ZINC000451885953 564362410 /nfs/dbraw/zinc/36/24/10/564362410.db2.gz CFGXKGZMTTVMOC-NSHDSACASA-N -1 0 381.237 2.749 20 5 GFBDRM Nc1nccc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])c1[N+](=O)[O-] ZINC000548059502 564529069 /nfs/dbraw/zinc/52/90/69/564529069.db2.gz XAGJKIIDCRQKDL-UHFFFAOYSA-N -1 0 387.577 2.776 20 5 GFBDRM COc1cc(S(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000548198100 564535117 /nfs/dbraw/zinc/53/51/17/564535117.db2.gz CESCZIXOILJXDO-UHFFFAOYSA-N -1 0 386.769 2.756 20 5 GFBDRM CCCCC[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000548237166 564540696 /nfs/dbraw/zinc/54/06/96/564540696.db2.gz GIBUTUXDWPLOJS-UONOGXRCSA-N -1 0 388.467 2.692 20 5 GFBDRM C[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000548250244 564542789 /nfs/dbraw/zinc/54/27/89/564542789.db2.gz LAGFWZXDZUUEDF-CPCISQLKSA-N -1 0 397.236 2.775 20 5 GFBDRM O=C([O-])c1cccc(Cl)c1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000548524883 564555555 /nfs/dbraw/zinc/55/55/55/564555555.db2.gz CRBCMQFFLWWCAY-UHFFFAOYSA-N -1 0 384.797 2.931 20 5 GFBDRM C[C@@H](CNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])Cc1cccs1 ZINC000519768984 564590326 /nfs/dbraw/zinc/59/03/26/564590326.db2.gz YROPQXYOIYBACE-SNVBAGLBSA-N -1 0 384.435 2.512 20 5 GFBDRM O=C1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2N1 ZINC000525533898 564702933 /nfs/dbraw/zinc/70/29/33/564702933.db2.gz ZZDXBQVQEULEBC-UHFFFAOYSA-N -1 0 381.797 2.934 20 5 GFBDRM O=C([O-])C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000577340065 564734090 /nfs/dbraw/zinc/73/40/90/564734090.db2.gz RZDLWYRMOJLUQQ-ZDUSSCGKSA-N -1 0 394.181 2.698 20 5 GFBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(N)=O ZINC000577522238 564736005 /nfs/dbraw/zinc/73/60/05/564736005.db2.gz FSDSIUCYBCQHRY-UHFFFAOYSA-N -1 0 383.813 2.710 20 5 GFBDRM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462390880 564836249 /nfs/dbraw/zinc/83/62/49/564836249.db2.gz ZQZSJMLXCMDVJL-SECBINFHSA-N -1 0 383.209 2.529 20 5 GFBDRM C[C@@]1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])OCCc2sccc21 ZINC000583782064 564906873 /nfs/dbraw/zinc/90/68/73/564906873.db2.gz RCQXHMIVDJATBW-HNNXBMFYSA-N -1 0 386.426 2.562 20 5 GFBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)cc1[N+](=O)[O-] ZINC000466958783 564950814 /nfs/dbraw/zinc/95/08/14/564950814.db2.gz CYEOCSLHAKMOLJ-UHFFFAOYSA-N -1 0 386.451 2.915 20 5 GFBDRM O=C(N=c1nc(-c2ccsc2)[n-]s1)NCCc1ccccc1[N+](=O)[O-] ZINC000467992652 564976811 /nfs/dbraw/zinc/97/68/11/564976811.db2.gz DSXYMTSGHIEEPT-UHFFFAOYSA-N -1 0 375.435 2.961 20 5 GFBDRM O=C(NCCOc1cccc(Br)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000561333915 564991619 /nfs/dbraw/zinc/99/16/19/564991619.db2.gz YVWYBQUMXYLNEQ-UHFFFAOYSA-N -1 0 381.182 2.872 20 5 GFBDRM CCCn1nccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000535614445 565017132 /nfs/dbraw/zinc/01/71/32/565017132.db2.gz SXCOAYDUTIXELY-UHFFFAOYSA-N -1 0 389.231 2.765 20 5 GFBDRM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000536121520 565029881 /nfs/dbraw/zinc/02/98/81/565029881.db2.gz 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CCc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1[N+](=O)[O-] ZINC000592144770 565260594 /nfs/dbraw/zinc/26/05/94/565260594.db2.gz NLNGNYVHDSMUNU-LBPRGKRZSA-N -1 0 384.435 2.713 20 5 GFBDRM CCS[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000592140523 565261047 /nfs/dbraw/zinc/26/10/47/565261047.db2.gz UHPWXCLPOAKORG-GXTWGEPZSA-N -1 0 388.467 2.554 20 5 GFBDRM CO[C@H](CS(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000592353121 565271314 /nfs/dbraw/zinc/27/13/14/565271314.db2.gz VMYHGIXFKBARGK-GFCCVEGCSA-N -1 0 379.232 2.524 20 5 GFBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000619470474 565343709 /nfs/dbraw/zinc/34/37/09/565343709.db2.gz VCKLFRDYLYVFCU-UHFFFAOYSA-N -1 0 386.769 2.756 20 5 GFBDRM Cc1sc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000594700548 565409746 /nfs/dbraw/zinc/40/97/46/565409746.db2.gz HZULWDKTDLYUEY-LLVKDONJSA-N -1 0 382.419 2.732 20 5 GFBDRM COc1ccc(S(=O)(=O)[N-]c2nnc(CCC(C)C)s2)c([N+](=O)[O-])c1 ZINC000594725633 565412206 /nfs/dbraw/zinc/41/22/06/565412206.db2.gz BRXYSTAIUVPCIZ-UHFFFAOYSA-N -1 0 386.455 2.844 20 5 GFBDRM Cc1cnn(C)c1[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000594729882 565413352 /nfs/dbraw/zinc/41/33/52/565413352.db2.gz YZCIFYZWPUVBDY-UHFFFAOYSA-N -1 0 389.231 2.508 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H](CO)CC1CC1 ZINC000594862470 565431169 /nfs/dbraw/zinc/43/11/69/565431169.db2.gz CBRVPBRSJQBXSB-VIFPVBQESA-N -1 0 383.253 2.589 20 5 GFBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000599332649 565671265 /nfs/dbraw/zinc/67/12/65/565671265.db2.gz VHZBXRUVBSNPDV-AAEUAGOBSA-N -1 0 384.845 2.596 20 5 GFBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](n1cccn1)C(F)(F)F ZINC000599373347 565673470 /nfs/dbraw/zinc/67/34/70/565673470.db2.gz VNJUSFLYLCGJEP-JTQLQIEISA-N -1 0 398.750 2.527 20 5 GFBDRM O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000603491922 565909679 /nfs/dbraw/zinc/90/96/79/565909679.db2.gz ABOCDGODMHWTCT-VIFPVBQESA-N -1 0 390.826 2.804 20 5 GFBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(N)=O)cc1F ZINC000609911241 566058347 /nfs/dbraw/zinc/05/83/47/566058347.db2.gz UHIQDXQGHODZBO-UHFFFAOYSA-N -1 0 387.776 2.595 20 5 GFBDRM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1 ZINC000610261627 566072942 /nfs/dbraw/zinc/07/29/42/566072942.db2.gz ZJWDKZFSRQAICD-NSHDSACASA-N -1 0 375.328 2.962 20 5 GFBDRM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000611194078 566121218 /nfs/dbraw/zinc/12/12/18/566121218.db2.gz UVAICZMDXGDWSS-JTQLQIEISA-N -1 0 383.451 2.963 20 5 GFBDRM O=c1c(-c2nnn[n-]2)cn(Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc12 ZINC000738372765 599246741 /nfs/dbraw/zinc/24/67/41/599246741.db2.gz VAUZJASQMBJNTC-UHFFFAOYSA-N -1 0 382.767 2.792 20 5 GFBDRM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000564980952 599807920 /nfs/dbraw/zinc/80/79/20/599807920.db2.gz MDQWPUCKJBHDGK-QGZVFWFLSA-N -1 0 397.387 2.845 20 5 GFBDRM O=C([O-])CCc1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000738599135 599826407 /nfs/dbraw/zinc/82/64/07/599826407.db2.gz QFNNASQKOFOJPV-UHFFFAOYSA-N -1 0 398.419 2.966 20 5 GFBDRM O=C([O-])c1c2c(sc1NC(=O)c1cc([N+](=O)[O-])cc3c1OCCO3)CCC2 ZINC000739490478 599835228 /nfs/dbraw/zinc/83/52/28/599835228.db2.gz PHRLWLKRBXQKLU-UHFFFAOYSA-N -1 0 390.373 2.867 20 5 GFBDRM Cc1cc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000532255979 599875350 /nfs/dbraw/zinc/87/53/50/599875350.db2.gz HUATVQNETPMHTA-UHFFFAOYSA-N -1 0 391.767 2.623 20 5 GFBDRM O=C([O-])c1ccc(OCC(=O)c2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])c1 ZINC000740160787 599883731 /nfs/dbraw/zinc/88/37/31/599883731.db2.gz KOTRGUWZESWFLH-UHFFFAOYSA-N -1 0 384.344 2.682 20 5 GFBDRM CCOc1cc(C(=O)Oc2ccc(C)cc2[N+](=O)[O-])ccc1OCC(=O)[O-] ZINC000737192225 599896803 /nfs/dbraw/zinc/89/68/03/599896803.db2.gz DUEQJYPUNOVQSH-UHFFFAOYSA-N -1 0 375.333 2.985 20 5 GFBDRM C[C@H](CN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736566269 599918114 /nfs/dbraw/zinc/91/81/14/599918114.db2.gz NCHXXEFGMGIXAV-SECBINFHSA-N -1 0 390.314 2.861 20 5 GFBDRM O=C([O-])c1ccccc1C(=O)c1ccc(N[C@@H]2CCCCNC2=O)c([N+](=O)[O-])c1 ZINC000740238949 599958223 /nfs/dbraw/zinc/95/82/23/599958223.db2.gz CIZWWRDPYJUSAK-MRXNPFEDSA-N -1 0 397.387 2.605 20 5 GFBDRM Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000548537336 599980674 /nfs/dbraw/zinc/98/06/74/599980674.db2.gz SREZUBYNJWKTSY-HNNXBMFYSA-N -1 0 378.406 2.788 20 5 GFBDRM O=C([O-])c1cccn2cc(COC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])nc12 ZINC000740297133 599990476 /nfs/dbraw/zinc/99/04/76/599990476.db2.gz PALUCDULHTXGIO-UHFFFAOYSA-N -1 0 377.259 2.576 20 5 GFBDRM O=C([O-])c1ccc(CCC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000191573108 600039121 /nfs/dbraw/zinc/03/91/21/600039121.db2.gz NULAAHITDUSPKG-UHFFFAOYSA-N -1 0 383.404 2.574 20 5 GFBDRM COc1cc(CN(CC(=O)[O-])Cc2c(F)cccc2[N+](=O)[O-])cc(OC)c1 ZINC000737880649 600089313 /nfs/dbraw/zinc/08/93/13/600089313.db2.gz IEKPQJYYTMCPRE-UHFFFAOYSA-N -1 0 378.356 2.838 20 5 GFBDRM Cc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C(=O)[O-])c1 ZINC000738640168 600131189 /nfs/dbraw/zinc/13/11/89/600131189.db2.gz WHDCOXAFDGTNBR-UHFFFAOYSA-N -1 0 386.360 2.657 20 5 GFBDRM CC[C@](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)(C(=O)[O-])c1ccccc1 ZINC000485369698 600132051 /nfs/dbraw/zinc/13/20/51/600132051.db2.gz AECAJOKPMRFCAB-HXUWFJFHSA-N -1 0 394.387 2.900 20 5 GFBDRM CC[C@@](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000736920669 600136661 /nfs/dbraw/zinc/13/66/61/600136661.db2.gz RDRSUJRIOBTLLU-INIZCTEOSA-N -1 0 398.824 2.917 20 5 GFBDRM CCc1ccc(N2C[C@@H](C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000737266493 600192093 /nfs/dbraw/zinc/19/20/93/600192093.db2.gz OLTZVFQQDJIEJX-AWEZNQCLSA-N -1 0 397.387 2.847 20 5 GFBDRM O=C([O-])c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c(OC(F)F)c1 ZINC000739336335 600212362 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ZINC000827089798 603543340 /nfs/dbraw/zinc/54/33/40/603543340.db2.gz VSYIQQNPXFCEPR-CYBMUJFWSA-N -1 0 378.429 2.634 20 5 GFBDRM Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)[O-])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000830415710 603589794 /nfs/dbraw/zinc/58/97/94/603589794.db2.gz WUSONNSJZJMTQX-LBPRGKRZSA-N -1 0 391.405 2.985 20 5 GFBDRM O=C([O-])N1CC[C@@](COC(=O)Cc2ccc([N+](=O)[O-])cc2)(C(F)(F)F)C1 ZINC000831557378 603680847 /nfs/dbraw/zinc/68/08/47/603680847.db2.gz GFPRHWUGCOLTJR-CQSZACIVSA-N -1 0 376.287 2.613 20 5 GFBDRM COc1cc(C(=O)OC[C@@]2(C(F)(F)F)CCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000829086773 603683803 /nfs/dbraw/zinc/68/38/03/603683803.db2.gz IWKXJSNSZLVJKE-CQSZACIVSA-N -1 0 392.286 2.693 20 5 GFBDRM CC(C)(NC(=O)[O-])C(C)(C)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000824030422 603775446 /nfs/dbraw/zinc/77/54/46/603775446.db2.gz XHCIGRXTABFENL-UHFFFAOYSA-N -1 0 392.368 2.760 20 5 GFBDRM O=C([O-])N(CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])Cc1cccnc1 ZINC000831671731 603890857 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379.413 2.636 20 5 GFBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1OC ZINC000830049481 604347332 /nfs/dbraw/zinc/34/73/32/604347332.db2.gz DGIBGKDQQLLPSX-UHFFFAOYSA-N -1 0 395.393 2.728 20 5 GFBDRM O=C([O-])c1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1F ZINC000833153948 604378819 /nfs/dbraw/zinc/37/88/19/604378819.db2.gz PZJCAGIXWVXBLT-UHFFFAOYSA-N -1 0 376.296 2.846 20 5 GFBDRM COc1cc(CNC2CN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000832000540 604420170 /nfs/dbraw/zinc/42/01/70/604420170.db2.gz SVHYRQFJHPVKRB-UHFFFAOYSA-N -1 0 387.392 2.634 20 5 GFBDRM CC(=O)c1[nH]c(CC(=O)N2CCCc3c([N+](=O)[O-])cccc32)c(C(=O)[O-])c1C ZINC000833401210 604488509 /nfs/dbraw/zinc/48/85/09/604488509.db2.gz SHIDXOSHDPPVNL-UHFFFAOYSA-N -1 0 385.376 2.654 20 5 GFBDRM C[C@@H](OC(=O)Cc1ccccc1C(=O)[O-])C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000833530355 604497010 /nfs/dbraw/zinc/49/70/10/604497010.db2.gz HGYKVEUQZAGYEN-SNVBAGLBSA-N -1 0 390.323 2.545 20 5 GFBDRM 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551397022 /nfs/dbraw/zinc/39/70/22/551397022.db2.gz JLVCQXTVJHOQNS-UHFFFAOYSA-N -1 0 384.797 2.765 20 5 GFBDRM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(C(C)(C)C)no1 ZINC000174039185 552097324 /nfs/dbraw/zinc/09/73/24/552097324.db2.gz GZQDSBMAUPWFIV-MRVPVSSYSA-N -1 0 388.833 2.968 20 5 GFBDRM O=C(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)Nc1cc(Cl)ccc1Cl ZINC000184907586 552347742 /nfs/dbraw/zinc/34/77/42/552347742.db2.gz UHOFSUHMXIJQBF-UHFFFAOYSA-N -1 0 384.175 2.976 20 5 GFBDRM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000185652779 552368122 /nfs/dbraw/zinc/36/81/22/552368122.db2.gz XDIBTXJQHZOGEP-QHCPKHFHSA-N -1 0 388.854 2.928 20 5 GFBDRM COC(=O)c1cc(NC(=O)c2ncc(Br)s2)cc([N+](=O)[O-])c1 ZINC000192426254 552563026 /nfs/dbraw/zinc/56/30/26/552563026.db2.gz RHRRUQZRMMDRRM-UHFFFAOYSA-N -1 0 386.183 2.853 20 5 GFBDRM CC[S@](=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000246542679 553109460 /nfs/dbraw/zinc/10/94/60/553109460.db2.gz 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563587073 /nfs/dbraw/zinc/58/70/73/563587073.db2.gz WRIQEFCGIMTRTQ-UHFFFAOYSA-N -1 0 397.210 2.806 20 5 GFBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N(CCO)Cc1cccc(Br)c1 ZINC000436732367 563678020 /nfs/dbraw/zinc/67/80/20/563678020.db2.gz CWDNEWVNTJODBG-UHFFFAOYSA-N -1 0 395.209 2.698 20 5 GFBDRM O=C(NCc1cc2c(c(Br)c1)OCO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436952653 563686110 /nfs/dbraw/zinc/68/61/10/563686110.db2.gz XOAMEYSEWYRGGJ-UHFFFAOYSA-N -1 0 395.165 2.722 20 5 GFBDRM CCS[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000414340210 563727863 /nfs/dbraw/zinc/72/78/63/563727863.db2.gz KMJLDQZUZHGUKQ-DGCLKSJQSA-N -1 0 388.467 2.636 20 5 GFBDRM C[C@@H](Sc1n[nH]c(=O)[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446065902 563858149 /nfs/dbraw/zinc/85/81/49/563858149.db2.gz FDQUEKBFFIXNNF-RXMQYKEDSA-N -1 0 377.304 2.557 20 5 GFBDRM COc1cc(CNc2nc3cc(Br)ccc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000446947475 563870849 /nfs/dbraw/zinc/87/08/49/563870849.db2.gz 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CCS[C@H]1CCCCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC000566794924 564343664 /nfs/dbraw/zinc/34/36/64/564343664.db2.gz UQDZZXVVCUNQJY-NSHDSACASA-N -1 0 388.467 2.589 20 5 GFBDRM CCS[C@@H]1CCCCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC000566794923 564343891 /nfs/dbraw/zinc/34/38/91/564343891.db2.gz UQDZZXVVCUNQJY-LLVKDONJSA-N -1 0 388.467 2.589 20 5 GFBDRM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1)OCCO2 ZINC000476729032 564352096 /nfs/dbraw/zinc/35/20/96/564352096.db2.gz BBRVUUZWNBGTPD-UHFFFAOYSA-N -1 0 388.760 2.959 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)c1 ZINC000543658520 564358254 /nfs/dbraw/zinc/35/82/54/564358254.db2.gz LPCRBMZSRJXPFJ-UHFFFAOYSA-N -1 0 383.813 2.765 20 5 GFBDRM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000544192178 564379077 /nfs/dbraw/zinc/37/90/77/564379077.db2.gz OAHBDKDCSDUGAF-SFYZADRCSA-N -1 0 399.252 2.768 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCC[C@@H]1CCOC1 ZINC000452019362 564382947 /nfs/dbraw/zinc/38/29/47/564382947.db2.gz QEVIDJGNTXKQGW-SECBINFHSA-N -1 0 383.253 2.997 20 5 GFBDRM CCS[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC000514860591 564460065 /nfs/dbraw/zinc/46/00/65/564460065.db2.gz MUXFHBUHUKWLHW-WDEREUQCSA-N -1 0 388.467 2.636 20 5 GFBDRM C[C@H](C1CCCCC1)N(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000570151485 564493282 /nfs/dbraw/zinc/49/32/82/564493282.db2.gz FUXHPOYABQYDFV-SNVBAGLBSA-N -1 0 376.456 2.700 20 5 GFBDRM O=C([O-])[C@H]1CCCCCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000547933399 564522733 /nfs/dbraw/zinc/52/27/33/564522733.db2.gz RFNVWTQISHPNEF-CMPLNLGQSA-N -1 0 390.845 2.950 20 5 GFBDRM CS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cs1 ZINC000570975996 564530714 /nfs/dbraw/zinc/53/07/14/564530714.db2.gz LSKRINOEKCEFDS-UHFFFAOYSA-N -1 0 376.799 2.671 20 5 GFBDRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000548239727 564541339 /nfs/dbraw/zinc/54/13/39/564541339.db2.gz QUJADBJUZVGGKW-YPMHNXCESA-N -1 0 390.845 2.950 20 5 GFBDRM O=C([O-])[C@H]1CCCCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000548239724 564541390 /nfs/dbraw/zinc/54/13/90/564541390.db2.gz QUJADBJUZVGGKW-AAEUAGOBSA-N -1 0 390.845 2.950 20 5 GFBDRM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000521147498 564621192 /nfs/dbraw/zinc/62/11/92/564621192.db2.gz HEDADBQMOCXEJB-GFCCVEGCSA-N -1 0 390.826 2.502 20 5 GFBDRM CCc1n[n-]c(=NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000486779856 564666652 /nfs/dbraw/zinc/66/66/52/564666652.db2.gz JBLBEQNSOFLGAG-UHFFFAOYSA-N -1 0 375.332 2.771 20 5 GFBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000580493931 564761227 /nfs/dbraw/zinc/76/12/27/564761227.db2.gz USRZGQHKCBGDSW-UHFFFAOYSA-N -1 0 383.813 2.710 20 5 GFBDRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC000580988089 564782365 /nfs/dbraw/zinc/78/23/65/564782365.db2.gz VOWBQVXDXIAKSS-LBPRGKRZSA-N -1 0 384.435 2.767 20 5 GFBDRM C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000556223936 564815239 /nfs/dbraw/zinc/81/52/39/564815239.db2.gz PHKKSTZUAKCALL-VIFPVBQESA-N -1 0 384.797 2.986 20 5 GFBDRM COc1ccc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000581966934 564825045 /nfs/dbraw/zinc/82/50/45/564825045.db2.gz WYYSDCQACGPDJI-UHFFFAOYSA-N -1 0 377.300 2.818 20 5 GFBDRM CC(C)c1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 ZINC000582474092 564848055 /nfs/dbraw/zinc/84/80/55/564848055.db2.gz RIZUWOIWOIFDNH-UHFFFAOYSA-N -1 0 380.304 2.921 20 5 GFBDRM O=C([O-])CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000582829834 564863370 /nfs/dbraw/zinc/86/33/70/564863370.db2.gz NRNMMGFCXDDCTH-ZYHUDNBSSA-N -1 0 390.845 2.950 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2nc[nH]n2)c1 ZINC000558182410 564895241 /nfs/dbraw/zinc/89/52/41/564895241.db2.gz YEAKLHPXCLGLGG-UHFFFAOYSA-N -1 0 379.785 2.834 20 5 GFBDRM CCCSc1nc(=NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000531904809 564923832 /nfs/dbraw/zinc/92/38/32/564923832.db2.gz UJXLQFJTMHHLJX-UHFFFAOYSA-N -1 0 383.455 2.571 20 5 GFBDRM CC(=O)Nc1ncccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000466959958 564950911 /nfs/dbraw/zinc/95/09/11/564950911.db2.gz POBFYDFBHRDQKG-UHFFFAOYSA-N -1 0 384.801 2.711 20 5 GFBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000466974269 564951692 /nfs/dbraw/zinc/95/16/92/564951692.db2.gz RVVOXXBEHDQQIL-UHFFFAOYSA-N -1 0 375.815 2.518 20 5 GFBDRM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c1 ZINC000467767795 564971902 /nfs/dbraw/zinc/97/19/02/564971902.db2.gz HSAHRDLNLJTCMP-UHFFFAOYSA-N -1 0 386.769 2.541 20 5 GFBDRM CC[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000592964005 565305221 /nfs/dbraw/zinc/30/52/21/565305221.db2.gz NFJAVBRTOKPZBV-ZDUSSCGKSA-N -1 0 388.467 2.725 20 5 GFBDRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593703127 565356904 /nfs/dbraw/zinc/35/69/04/565356904.db2.gz WXSCWRBQQZDMGT-NWDGAFQWSA-N -1 0 383.198 2.540 20 5 GFBDRM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000594487230 565395626 /nfs/dbraw/zinc/39/56/26/565395626.db2.gz LUWFJLZHFJINHK-QWHCGFSZSA-N -1 0 382.360 2.514 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)s1 ZINC000594819066 565425103 /nfs/dbraw/zinc/42/51/03/565425103.db2.gz NPYSUNUVOVQOQT-SECBINFHSA-N -1 0 388.389 2.825 20 5 GFBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000599327213 565669486 /nfs/dbraw/zinc/66/94/86/565669486.db2.gz QQOABCUQDDJVOK-YPMHNXCESA-N -1 0 384.845 2.596 20 5 GFBDRM O=C([O-])[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccc21 ZINC000609907099 566058063 /nfs/dbraw/zinc/05/80/63/566058063.db2.gz YCEQBRPZYOOJOA-JTQLQIEISA-N -1 0 382.781 2.625 20 5 GFBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(CC(=O)[O-])cs2)cc1SC ZINC000610840271 566102489 /nfs/dbraw/zinc/10/24/89/566102489.db2.gz ZWSHJSRFGVPKNR-UHFFFAOYSA-N -1 0 383.407 2.661 20 5 GFBDRM CN(CC(=O)[O-])[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000820569473 598041927 /nfs/dbraw/zinc/04/19/27/598041927.db2.gz RHZJPTPUDHKFIO-MRXNPFEDSA-N -1 0 377.784 2.944 20 5 GFBDRM O=C([O-])c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c(F)c1 ZINC000821546403 598194708 /nfs/dbraw/zinc/19/47/08/598194708.db2.gz MQPHJJSXFJXWIC-UHFFFAOYSA-N -1 0 389.339 2.521 20 5 GFBDRM O=C([O-])Cn1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000485910231 599741133 /nfs/dbraw/zinc/74/11/33/599741133.db2.gz YWXAAUPFRLOWAZ-UHFFFAOYSA-N -1 0 381.348 2.872 20 5 GFBDRM Cc1[nH]nc(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)c1[N+](=O)[O-] ZINC000738249507 599741250 /nfs/dbraw/zinc/74/12/50/599741250.db2.gz UNESFYQGKFPYPE-UHFFFAOYSA-N -1 0 387.377 2.624 20 5 GFBDRM Cc1nn(CCC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000262677454 599810363 /nfs/dbraw/zinc/81/03/63/599810363.db2.gz YVJQOQBIEZZODU-UHFFFAOYSA-N -1 0 394.815 2.565 20 5 GFBDRM O=C([O-])CCc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000739761951 599827824 /nfs/dbraw/zinc/82/78/24/599827824.db2.gz XYPAPQXCSVJBTO-UHFFFAOYSA-N -1 0 398.419 2.966 20 5 GFBDRM CCCO[C@H]1CCCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000737027693 599854801 /nfs/dbraw/zinc/85/48/01/599854801.db2.gz HHYYDGKFLPZEEP-ZFWWWQNUSA-N -1 0 393.440 2.583 20 5 GFBDRM C[C@@H](OC(=O)CCCN(C)C(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000736685266 599873209 /nfs/dbraw/zinc/87/32/09/599873209.db2.gz PCUXCLQFNHRGPP-SNVBAGLBSA-N -1 0 378.341 2.639 20 5 GFBDRM Cc1cc(NCCOc2ccc(C(=O)[O-])cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738459250 599922395 /nfs/dbraw/zinc/92/23/95/599922395.db2.gz LQYYXCPBYQRKKK-UHFFFAOYSA-N -1 0 394.387 2.971 20 5 GFBDRM CC(C)S(=O)(=O)c1ccccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736499619 599969336 /nfs/dbraw/zinc/96/93/36/599969336.db2.gz KAAYFQYITGFLRW-UHFFFAOYSA-N -1 0 392.389 2.727 20 5 GFBDRM O=C([O-])[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cc(F)ccc1F ZINC000739356262 599971418 /nfs/dbraw/zinc/97/14/18/599971418.db2.gz CFNIHPLTVOPOQT-KRWDZBQOSA-N -1 0 389.314 2.770 20 5 GFBDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1OC ZINC000737952859 599994580 /nfs/dbraw/zinc/99/45/80/599994580.db2.gz QCIVEWWAEXONMJ-CQSZACIVSA-N -1 0 392.339 2.697 20 5 GFBDRM CCOc1ccc(C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000262519693 600071294 /nfs/dbraw/zinc/07/12/94/600071294.db2.gz QJCTYLHRGRHIBB-INIZCTEOSA-N -1 0 386.404 2.975 20 5 GFBDRM COC(=O)c1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC000737665134 600125189 /nfs/dbraw/zinc/12/51/89/600125189.db2.gz MCOJPVGPKUUWHY-UHFFFAOYSA-N -1 0 378.724 2.985 20 5 GFBDRM CCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000262430074 600125448 /nfs/dbraw/zinc/12/54/48/600125448.db2.gz RWHRTEWKSXZZHR-KRWDZBQOSA-N -1 0 397.387 2.561 20 5 GFBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCO[C@@H](c2ccccc2F)C1 ZINC000740096830 600126829 /nfs/dbraw/zinc/12/68/29/600126829.db2.gz RPPDPDPHMNQXFF-OAHLLOKOSA-N -1 0 391.311 2.918 20 5 GFBDRM Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C(=O)[O-])cc1 ZINC000738566749 600159309 /nfs/dbraw/zinc/15/93/09/600159309.db2.gz IJFGGRAIHOIMQB-HNNXBMFYSA-N -1 0 387.348 2.718 20 5 GFBDRM Cc1nc(COc2ccc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)no1 ZINC000738857864 600188214 /nfs/dbraw/zinc/18/82/14/600188214.db2.gz UVXYGKSAUBBHIT-UHFFFAOYSA-N -1 0 398.331 2.816 20 5 GFBDRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000738682706 600188889 /nfs/dbraw/zinc/18/88/89/600188889.db2.gz DDASJZMLYBAZJY-LBPRGKRZSA-N -1 0 389.389 2.598 20 5 GFBDRM Cc1cc(C)cc(N2CC[C@@H](C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2=O)c1 ZINC000738363320 600189939 /nfs/dbraw/zinc/18/99/39/600189939.db2.gz FJWZDMULIZBCRH-KRWDZBQOSA-N -1 0 397.387 2.901 20 5 GFBDRM C[C@@H](CNc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])Oc1ccccc1 ZINC000736606484 600281607 /nfs/dbraw/zinc/28/16/07/600281607.db2.gz FMMALHKYUIIRTI-STQMWFEESA-N -1 0 387.392 2.677 20 5 GFBDRM O=C([O-])c1ccc(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000740120468 600332848 /nfs/dbraw/zinc/33/28/48/600332848.db2.gz JHQVGBUFBOAVHM-UHFFFAOYSA-N -1 0 392.345 2.510 20 5 GFBDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000738543381 600399474 /nfs/dbraw/zinc/39/94/74/600399474.db2.gz RUAKYLRIXNSPGT-UHFFFAOYSA-N -1 0 376.390 2.743 20 5 GFBDRM CC(C)c1noc(CCCNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000736537424 600431953 /nfs/dbraw/zinc/43/19/53/600431953.db2.gz ISAJCLOISZYQJC-UHFFFAOYSA-N -1 0 379.329 2.752 20 5 GFBDRM COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738049092 600463013 /nfs/dbraw/zinc/46/30/13/600463013.db2.gz VKJZNIZXRBAIML-SNVBAGLBSA-N -1 0 390.348 2.716 20 5 GFBDRM Cc1cccc(N2C[C@H](C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2=O)c1C ZINC000738733587 600542713 /nfs/dbraw/zinc/54/27/13/600542713.db2.gz ZQHCGSGXJPBXHG-CQSZACIVSA-N -1 0 397.387 2.901 20 5 GFBDRM CC(C)n1cc([C@H](C)Nc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000736657842 600610737 /nfs/dbraw/zinc/61/07/37/600610737.db2.gz UDSPAJYQQUTDQQ-NWDGAFQWSA-N -1 0 389.412 2.748 20 5 GFBDRM O=C([O-])CCc1nnc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)s1 ZINC000739776596 600631317 /nfs/dbraw/zinc/63/13/17/600631317.db2.gz FMVBIWSLXVEIMG-UHFFFAOYSA-N -1 0 378.391 2.931 20 5 GFBDRM CC(C)(C)OC(=O)N1CC[C@H](COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000736276657 600657881 /nfs/dbraw/zinc/65/78/81/600657881.db2.gz PPMIFJQCZJAELT-NSHDSACASA-N -1 0 394.380 2.707 20 5 GFBDRM 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Cc1cc(I)cnc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000155348053 551498193 /nfs/dbraw/zinc/49/81/93/551498193.db2.gz XXUHPZRMEWXSCN-UHFFFAOYSA-N -1 0 399.144 2.861 20 5 GFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc(-c2cccs2)nn1C ZINC000193729156 553001403 /nfs/dbraw/zinc/00/14/03/553001403.db2.gz UECVIFRJISWOGI-UHFFFAOYSA-N -1 0 379.423 2.561 20 5 GFBDRM Cc1c(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc(Br)cc1[N+](=O)[O-] ZINC000263135242 553183077 /nfs/dbraw/zinc/18/30/77/553183077.db2.gz YVZSHZSVKHAJSJ-CQSZACIVSA-N -1 0 386.202 2.994 20 5 GFBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000263179619 553184062 /nfs/dbraw/zinc/18/40/62/553184062.db2.gz UAUIEMNJICHRPC-BDAKNGLRSA-N -1 0 386.202 2.932 20 5 GFBDRM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)no1 ZINC000295589386 563255140 /nfs/dbraw/zinc/25/51/40/563255140.db2.gz BJYOQOYCQQORFA-UHFFFAOYSA-N -1 0 395.224 2.807 20 5 GFBDRM C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H]1C(=O)[O-] ZINC000424265232 563375341 /nfs/dbraw/zinc/37/53/41/563375341.db2.gz SQPVJFBCOSDQMV-XPTSAGLGSA-N -1 0 385.214 2.612 20 5 GFBDRM C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000424364652 563376645 /nfs/dbraw/zinc/37/66/45/563376645.db2.gz DUAJYQRCWAMDBG-RDDDGLTNSA-N -1 0 397.236 2.775 20 5 GFBDRM C[C@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000326968112 563456724 /nfs/dbraw/zinc/45/67/24/563456724.db2.gz PBEWPAQGVUYKAE-GHMZBOCLSA-N -1 0 390.845 2.760 20 5 GFBDRM O=C([O-])c1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)o1 ZINC000431505905 563561385 /nfs/dbraw/zinc/56/13/85/563561385.db2.gz DVWIKDYKGYSBPB-UHFFFAOYSA-N -1 0 383.154 2.507 20 5 GFBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cnn(C)c2C(F)(F)F)c1C ZINC000436164478 563665690 /nfs/dbraw/zinc/66/56/90/563665690.db2.gz ZTOLULZMCKOIIQ-UHFFFAOYSA-N -1 0 378.332 2.765 20 5 GFBDRM CCn1cc(S(=O)(=O)[N-]c2nc3c(cc(C)cc3C)s2)c([N+](=O)[O-])n1 ZINC000443419282 563804484 /nfs/dbraw/zinc/80/44/84/563804484.db2.gz 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0 377.300 2.818 20 5 GFBDRM NC(=O)c1ccc(SCC(=O)Nc2cccc(Cl)c2[O-])c([N+](=O)[O-])c1 ZINC000535413632 565013234 /nfs/dbraw/zinc/01/32/34/565013234.db2.gz FGHRGVIGGJTRQM-UHFFFAOYSA-N -1 0 381.797 2.784 20 5 GFBDRM CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000537348926 565057334 /nfs/dbraw/zinc/05/73/34/565057334.db2.gz FUWUVMSNGICMFR-UHFFFAOYSA-N -1 0 388.760 2.911 20 5 GFBDRM COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619468265 565342334 /nfs/dbraw/zinc/34/23/34/565342334.db2.gz NBWFDSMUDDNEJH-UHFFFAOYSA-N -1 0 386.407 2.561 20 5 GFBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000619507183 565346301 /nfs/dbraw/zinc/34/63/01/565346301.db2.gz LXBHBPCDOMCTKX-UHFFFAOYSA-N -1 0 382.379 2.516 20 5 GFBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594488719 565396028 /nfs/dbraw/zinc/39/60/28/565396028.db2.gz VAIRNYNQYLFNIG-GZMMTYOYSA-N -1 0 386.323 2.512 20 5 GFBDRM 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CC[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C(=O)[O-] ZINC000828978566 601754856 /nfs/dbraw/zinc/75/48/56/601754856.db2.gz VIXDSKNLSYFUKL-JTQLQIEISA-N -1 0 387.179 2.680 20 5 GFBDRM O=C([O-])Nc1cccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000833288293 601763309 /nfs/dbraw/zinc/76/33/09/601763309.db2.gz KMTVYBAHYJRKDW-UHFFFAOYSA-N -1 0 392.755 2.593 20 5 GFBDRM CCOc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000830032918 601820595 /nfs/dbraw/zinc/82/05/95/601820595.db2.gz UBGSZOUJYLYUAB-MRXNPFEDSA-N -1 0 392.339 2.697 20 5 GFBDRM COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000739852021 601852435 /nfs/dbraw/zinc/85/24/35/601852435.db2.gz QNMPXEQXSFFXPQ-KGLIPLIRSA-N -1 0 377.397 2.598 20 5 GFBDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000828493931 601853363 /nfs/dbraw/zinc/85/33/63/601853363.db2.gz LNUAKCCEQZUJOG-GFCCVEGCSA-N -1 0 387.367 2.783 20 5 GFBDRM 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O=C([O-])c1c(F)ccc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])c1F ZINC000833294004 602171508 /nfs/dbraw/zinc/17/15/08/602171508.db2.gz KUNBBQMVGXNEBE-UHFFFAOYSA-N -1 0 393.707 2.992 20 5 GFBDRM O=C([O-])c1cc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])ccc1F ZINC000833306273 602171990 /nfs/dbraw/zinc/17/19/90/602171990.db2.gz MMHCPZYOSQYQQI-UHFFFAOYSA-N -1 0 375.717 2.853 20 5 GFBDRM Cc1cc(N(C)Cc2ccc(S(C)(=O)=O)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832888436 602319261 /nfs/dbraw/zinc/31/92/61/602319261.db2.gz JDXGKPFBRCPRQS-UHFFFAOYSA-N -1 0 378.406 2.641 20 5 GFBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739052221 602370152 /nfs/dbraw/zinc/37/01/52/602370152.db2.gz KDDOWZJHTLCDSZ-LBPRGKRZSA-N -1 0 381.454 2.924 20 5 GFBDRM O=C([O-])CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCC1 ZINC000833241819 602399774 /nfs/dbraw/zinc/39/97/74/602399774.db2.gz AEJMQMQEGSQISV-UHFFFAOYSA-N -1 0 375.425 2.667 20 5 GFBDRM CC(C)NC(=O)c1ccc(N2CCC[C@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000738857997 602670168 /nfs/dbraw/zinc/67/01/68/602670168.db2.gz ASMFRFDQMONYBN-CYBMUJFWSA-N -1 0 378.429 2.559 20 5 GFBDRM O=C([O-])N1CC[C@H](CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000740498523 602688156 /nfs/dbraw/zinc/68/81/56/602688156.db2.gz UGFAJKGRXDAWTR-ZDUSSCGKSA-N -1 0 376.413 2.633 20 5 GFBDRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC000740705333 602696181 /nfs/dbraw/zinc/69/61/81/602696181.db2.gz UAUBJFJSXGKGDF-UHFFFAOYSA-N -1 0 386.299 2.657 20 5 GFBDRM C[C@H]1CN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)N1C(=O)[O-] ZINC000739166423 602758348 /nfs/dbraw/zinc/75/83/48/602758348.db2.gz MPYWBKJXCOQACR-IUCAKERBSA-N -1 0 386.202 2.570 20 5 GFBDRM C[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000739044029 602884783 /nfs/dbraw/zinc/88/47/83/602884783.db2.gz SJQKBLAYAIJLBT-SECBINFHSA-N -1 0 389.320 2.574 20 5 GFBDRM O=C([O-])N1CCOC[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000740473132 602912222 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VCYBOTMNQJLZLJ-NSHDSACASA-N -1 0 376.394 2.965 20 5 GFBDRM CC(C)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)NC(=O)[O-] ZINC000738794937 603404521 /nfs/dbraw/zinc/40/45/21/603404521.db2.gz TXANMJJITXXLJK-LBPRGKRZSA-N -1 0 378.410 2.740 20 5 GFBDRM CN(CC(C)(C)CNC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000828147219 603464642 /nfs/dbraw/zinc/46/46/42/603464642.db2.gz ZGIVXUSDVUWLFR-UHFFFAOYSA-N -1 0 388.218 2.723 20 5 GFBDRM O=C([O-])NC[C@@H]1CCC[C@H]1OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000832493125 603489894 /nfs/dbraw/zinc/48/98/94/603489894.db2.gz ZACQZDFYAYAHFM-XJKSGUPXSA-N -1 0 377.397 2.788 20 5 GFBDRM CC(C)[C@H](CCN(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)NC(=O)[O-] ZINC000824091538 603559892 /nfs/dbraw/zinc/55/98/92/603559892.db2.gz GSUNFSCRVDJQBC-AWEZNQCLSA-N -1 0 390.396 2.603 20 5 GFBDRM COc1ccc(COC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1[N+](=O)[O-] ZINC000829397257 603802581 /nfs/dbraw/zinc/80/25/81/603802581.db2.gz XWVUWZOUMZHNRT-AGUYFDCRSA-N -1 0 378.381 2.958 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CS(=O)(=O)[C@H]1CCC[C@@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000832659502 604269301 /nfs/dbraw/zinc/26/93/01/604269301.db2.gz GPBSOBUMMPIADW-BDAKNGLRSA-N -1 0 376.818 2.714 20 5 GFBDRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000825228229 604274022 /nfs/dbraw/zinc/27/40/22/604274022.db2.gz JEKCPZVAQYITEV-QWRGUYRKSA-N -1 0 384.820 2.826 20 5 GFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000548250099 604362082 /nfs/dbraw/zinc/36/20/82/604362082.db2.gz RSGFAMVBWPXPKU-UHFFFAOYSA-N -1 0 392.433 2.959 20 5 GFBDRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000825388713 604434463 /nfs/dbraw/zinc/43/44/63/604434463.db2.gz JYOHJDOEOXSQNI-CYBMUJFWSA-N -1 0 386.408 2.965 20 5 GFBDRM Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000833754514 604487732 /nfs/dbraw/zinc/48/77/32/604487732.db2.gz SLBAPTZRMGHVNO-UHFFFAOYSA-N -1 0 381.348 2.743 20 5 GFBDRM C[C@H](CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824729770 604540739 /nfs/dbraw/zinc/54/07/39/604540739.db2.gz RYUGBESBYCWLLS-OCCSQVGLSA-N -1 0 378.381 2.737 20 5 GFBDRM COC(=O)c1oc([C@H](C)OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C ZINC000831470063 604546883 /nfs/dbraw/zinc/54/68/83/604546883.db2.gz CVUOBOLGPGRWKH-VIFPVBQESA-N -1 0 377.305 2.899 20 5 GFBDRM C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]3CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000455873954 604589899 /nfs/dbraw/zinc/58/98/99/604589899.db2.gz MGPYGIOHXJRWQG-HIFRSBDPSA-N -1 0 375.425 2.910 20 5 GFBDRM COc1cc(OC)cc([C@@H](OC(=O)c2c(F)ccc([N+](=O)[O-])c2F)C(=O)[O-])c1 ZINC000832075077 604597437 /nfs/dbraw/zinc/59/74/37/604597437.db2.gz VLZRGMXFSCESMI-OAHLLOKOSA-N -1 0 397.286 2.873 20 5 GFBDRM C[C@H](OC(=O)c1cc2ccccc2c2cccnc12)c1cn(CC(=O)[O-])nn1 ZINC000827853490 604678024 /nfs/dbraw/zinc/67/80/24/604678024.db2.gz LECLONJRTHBJSL-LBPRGKRZSA-N -1 0 376.372 2.982 20 5 GFBDRM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828516624 604796045 /nfs/dbraw/zinc/79/60/45/604796045.db2.gz PIEVIWMHLFHCAT-LBPRGKRZSA-N -1 0 384.392 2.752 20 5 GFBDRM COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H](C(=O)[O-])c1ccccc1 ZINC000831353655 604802215 /nfs/dbraw/zinc/80/22/15/604802215.db2.gz MICRZNUPOKZBPH-ZDUSSCGKSA-N -1 0 389.320 2.570 20 5 GFBDRM O=C([O-])COc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000538472558 604852071 /nfs/dbraw/zinc/85/20/71/604852071.db2.gz WTFUXNWHCZMUSZ-UHFFFAOYSA-N -1 0 380.740 2.729 20 5 GFBDRM CC(C)(C)OC(=O)Nc1cccc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)c1 ZINC000833445158 604864402 /nfs/dbraw/zinc/86/44/02/604864402.db2.gz QDWJWIFSDVWMCZ-UHFFFAOYSA-N -1 0 389.364 2.850 20 5 GFBDRM CNc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000540666910 604875071 /nfs/dbraw/zinc/87/50/71/604875071.db2.gz HFXTUHLBCLDUTN-AWEZNQCLSA-N -1 0 381.747 2.985 20 5 GFBDRM Cc1nn(CCC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000262104421 604902390 /nfs/dbraw/zinc/90/23/90/604902390.db2.gz NJCUFGQVBBSFTN-UHFFFAOYSA-N -1 0 396.787 2.554 20 5 GFBDRM CC[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1F ZINC000828958003 604945031 /nfs/dbraw/zinc/94/50/31/604945031.db2.gz NVSITANPDXDUME-HOCLYGCPSA-N -1 0 394.330 2.813 20 5 GFBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000611478575 604997379 /nfs/dbraw/zinc/99/73/79/604997379.db2.gz KQGCZLFLDJSYFQ-AWEZNQCLSA-N -1 0 386.408 2.744 20 5 GFBDRM CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])[C@@H]2CCO[C@H]21 ZINC000833555332 605005977 /nfs/dbraw/zinc/00/59/77/605005977.db2.gz KPAQEMZFKGQDNL-IUIKQTSFSA-N -1 0 394.449 2.705 20 5 GFBDRM C[C@@H](NC(=O)c1ccc(N2CC[C@@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000833611027 605079394 /nfs/dbraw/zinc/07/93/94/605079394.db2.gz LZSCSSWDVDLQLJ-VLXJIEOASA-N -1 0 375.425 2.814 20 5 GFBDRM 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YIVVQXKNGQAMTN-UHFFFAOYSA-N -1 0 379.419 2.617 20 5 GFBDRM O=C([O-])CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000582829832 564863278 /nfs/dbraw/zinc/86/32/78/564863278.db2.gz NRNMMGFCXDDCTH-JQWIXIFHSA-N -1 0 390.845 2.950 20 5 GFBDRM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000464367432 564904870 /nfs/dbraw/zinc/90/48/70/564904870.db2.gz SLIOFHLAFINLHE-ZCFIWIBFSA-N -1 0 391.165 2.977 20 5 GFBDRM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c1 ZINC000584304411 564929614 /nfs/dbraw/zinc/92/96/14/564929614.db2.gz SKAJOVAQYYLONS-SNVBAGLBSA-N -1 0 381.357 2.774 20 5 GFBDRM CCc1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000532618455 564941916 /nfs/dbraw/zinc/94/19/16/564941916.db2.gz MCGZQEVXJWHBMY-UHFFFAOYSA-N -1 0 387.215 2.511 20 5 GFBDRM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000532879281 564949301 /nfs/dbraw/zinc/94/93/01/564949301.db2.gz MYTNTNXSJAZKCE-YFKPBYRVSA-N -1 0 381.197 2.633 20 5 GFBDRM 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ZINC000833178007 601088940 /nfs/dbraw/zinc/08/89/40/601088940.db2.gz URIBYBLYQDMJGX-YOEHRIQHSA-N -1 0 375.425 2.889 20 5 GFBDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC000237493333 601099670 /nfs/dbraw/zinc/09/96/70/601099670.db2.gz XGSLSASEYVLPSG-GFCCVEGCSA-N -1 0 380.360 2.970 20 5 GFBDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000826808756 601120336 /nfs/dbraw/zinc/12/03/36/601120336.db2.gz SXPGMTSFAUWMIX-ZWNOBZJWSA-N -1 0 392.368 2.931 20 5 GFBDRM Cc1cc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000547939974 601128218 /nfs/dbraw/zinc/12/82/18/601128218.db2.gz AHLAZBRTYCXHOC-MLGOLLRUSA-N -1 0 378.406 2.644 20 5 GFBDRM O=C([O-])CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cccc(F)c1 ZINC000833248479 601143515 /nfs/dbraw/zinc/14/35/15/601143515.db2.gz YGZYVGCMPLQGHZ-UHFFFAOYSA-N -1 0 384.323 2.651 20 5 GFBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000826038600 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CCBTZTXHXMLBHS-UHFFFAOYSA-N -1 0 375.337 2.883 20 5 GFBDRM Cc1nc(N2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000833001691 602126963 /nfs/dbraw/zinc/12/69/63/602126963.db2.gz QSHLFPDTEJXHTP-KRWDZBQOSA-N -1 0 390.827 2.900 20 5 GFBDRM Cc1nc(N2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000833001692 602127120 /nfs/dbraw/zinc/12/71/20/602127120.db2.gz QSHLFPDTEJXHTP-QGZVFWFLSA-N -1 0 390.827 2.900 20 5 GFBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1C ZINC000548571502 602199742 /nfs/dbraw/zinc/19/97/42/602199742.db2.gz NPCIBTWEIUDLOE-CYBMUJFWSA-N -1 0 376.390 2.589 20 5 GFBDRM Cc1nn(CCC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)c(C)c1[N+](=O)[O-] ZINC000740253542 602245688 /nfs/dbraw/zinc/24/56/88/602245688.db2.gz QGRQSBBCVMLKET-UHFFFAOYSA-N -1 0 375.385 2.547 20 5 GFBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739931154 602277275 /nfs/dbraw/zinc/27/72/75/602277275.db2.gz CWLGHSQAVFWZPC-UHFFFAOYSA-N -1 0 386.364 2.966 20 5 GFBDRM C[C@H](OC(=O)c1cnccc1C(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000827872974 602286956 /nfs/dbraw/zinc/28/69/56/602286956.db2.gz CCIFCZIQZHDZLK-VIFPVBQESA-N -1 0 384.304 2.656 20 5 GFBDRM Cc1cc(N2CCO[C@H](c3nc(C(C)(C)C)n[nH]3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832892080 602324271 /nfs/dbraw/zinc/32/42/71/602324271.db2.gz XEJSCLLWKCIIFK-ZDUSSCGKSA-N -1 0 389.412 2.595 20 5 GFBDRM C[C@@H](NC(=O)[O-])C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000739015713 602443536 /nfs/dbraw/zinc/44/35/36/602443536.db2.gz PGWWWRWWNQRWDV-LLVKDONJSA-N -1 0 375.385 2.513 20 5 GFBDRM CC(C)NC(=O)c1ccc(N2CCC([C@H](C)NC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000738860138 602685958 /nfs/dbraw/zinc/68/59/58/602685958.db2.gz LLZIVURFHJHGBB-LBPRGKRZSA-N -1 0 378.429 2.606 20 5 GFBDRM CN(Cc1ccccc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000739714703 602724189 /nfs/dbraw/zinc/72/41/89/602724189.db2.gz PSVAAAXPOSDMDU-UHFFFAOYSA-N -1 0 387.348 2.535 20 5 GFBDRM 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Cc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1NC(=O)[O-] ZINC000830199438 603339621 /nfs/dbraw/zinc/33/96/21/603339621.db2.gz YDYFRNAPIBHGIO-UHFFFAOYSA-N -1 0 384.392 2.956 20 5 GFBDRM COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1NC(=O)[O-] ZINC000739925235 603420865 /nfs/dbraw/zinc/42/08/65/603420865.db2.gz JJMBJLJPEWETCH-UHFFFAOYSA-N -1 0 381.366 2.803 20 5 GFBDRM CCC(CC)(CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])NC(=O)[O-] ZINC000826552486 603462444 /nfs/dbraw/zinc/46/24/44/603462444.db2.gz JNBRLAWDOSHZKT-UHFFFAOYSA-N -1 0 388.218 2.914 20 5 GFBDRM C[C@H]1CCCN(c2ccc(C(=O)N(C)[C@@H]3CCN(C(=O)[O-])C3)cc2[N+](=O)[O-])C1 ZINC000825932789 603699846 /nfs/dbraw/zinc/69/98/46/603699846.db2.gz XXLMGDHLADRVBS-DZGCQCFKSA-N -1 0 390.440 2.655 20 5 GFBDRM C[C@H](OC(=O)C(C)(C)CNC(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000825535741 603751455 /nfs/dbraw/zinc/75/14/55/603751455.db2.gz NLXINNOKSBDMSN-VIFPVBQESA-N -1 0 378.341 2.543 20 5 GFBDRM CCN(CC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000827059404 603754058 /nfs/dbraw/zinc/75/40/58/603754058.db2.gz MXVUVKIAQJGMMA-UHFFFAOYSA-N -1 0 379.413 2.602 20 5 GFBDRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000832332841 603856867 /nfs/dbraw/zinc/85/68/67/603856867.db2.gz OTMARJFRYNPHFY-VXGBXAGGSA-N -1 0 390.352 2.514 20 5 GFBDRM COc1ccccc1[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])NC(=O)[O-] ZINC000829597266 603890879 /nfs/dbraw/zinc/89/08/79/603890879.db2.gz GHNIGIJHRBGWMA-ZDUSSCGKSA-N -1 0 393.783 2.996 20 5 GFBDRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000825273133 604057276 /nfs/dbraw/zinc/05/72/76/604057276.db2.gz OZQDSKIAAPZZEM-UONOGXRCSA-N -1 0 390.440 2.703 20 5 GFBDRM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)CN(C(=O)[O-])CC2 ZINC000831435688 604161719 /nfs/dbraw/zinc/16/17/19/604161719.db2.gz AFFCZEZOGVTAJA-UHFFFAOYSA-N -1 0 376.394 2.659 20 5 GFBDRM C[C@H](NC(=O)[O-])c1ccc(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000825448641 604218440 /nfs/dbraw/zinc/21/84/40/604218440.db2.gz GGNKJGWJBZCOTO-LBPRGKRZSA-N -1 0 384.392 2.925 20 5 GFBDRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000832480822 604238919 /nfs/dbraw/zinc/23/89/19/604238919.db2.gz BDTIJJDNRIOBAH-GZMMTYOYSA-N -1 0 386.202 2.523 20 5 GFBDRM Cc1cc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1C(=O)[O-] ZINC000580644709 604363157 /nfs/dbraw/zinc/36/31/57/604363157.db2.gz MWXXHMBFBPZVFA-UHFFFAOYSA-N -1 0 390.417 2.955 20 5 GFBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000832885502 604417177 /nfs/dbraw/zinc/41/71/77/604417177.db2.gz BKNFREOMJKDFLR-UHFFFAOYSA-N -1 0 376.818 2.575 20 5 GFBDRM C[C@H](NC(=O)c1ccc(NCCC[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704552 604634718 /nfs/dbraw/zinc/63/47/18/604634718.db2.gz XPWHSQAIFFCQOU-OGHNNQOOSA-N -1 0 393.440 2.541 20 5 GFBDRM CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1(C(=O)[O-])CCCC1 ZINC000830466361 604722750 /nfs/dbraw/zinc/72/27/50/604722750.db2.gz YSWKARBLLFSZGD-UHFFFAOYSA-N -1 0 375.425 2.667 20 5 GFBDRM Cc1cc(F)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000833744698 604748093 /nfs/dbraw/zinc/74/80/93/604748093.db2.gz MTSOZMHEFFGOQN-LBPRGKRZSA-N -1 0 394.380 2.810 20 5 GFBDRM Cc1c(C(=O)[O-])sc2[nH]c(CSc3ccc([N+](=O)[O-])cn3)nc(=O)c12 ZINC000832854019 604793132 /nfs/dbraw/zinc/79/31/32/604793132.db2.gz RDOGTTDRICEPSD-UHFFFAOYSA-N -1 0 378.391 2.587 20 5 GFBDRM C[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000827851872 604856080 /nfs/dbraw/zinc/85/60/80/604856080.db2.gz DOCIYLRTOMSAEG-VIFPVBQESA-N -1 0 376.296 2.616 20 5 GFBDRM CC(C)CN(CCC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000275078874 604872676 /nfs/dbraw/zinc/87/26/76/604872676.db2.gz DGUCXLLKSWXKCE-UHFFFAOYSA-N -1 0 398.359 2.735 20 5 GFBDRM O=C([O-])N1CCC[C@@H](N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000831987692 604885916 /nfs/dbraw/zinc/88/59/16/604885916.db2.gz XOQNOFMOAQHMJT-MRXNPFEDSA-N -1 0 384.392 2.775 20 5 GFBDRM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000833552229 604919169 /nfs/dbraw/zinc/91/91/69/604919169.db2.gz ZECUJNMOYIRSIO-MFKMUULPSA-N -1 0 378.410 2.598 20 5 GFBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000263088407 604993029 /nfs/dbraw/zinc/99/30/29/604993029.db2.gz SLXKPCUNMFRHLI-LOWVWBTDSA-N -1 0 399.394 2.915 20 5 GFBDRM C[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1[N+](=O)[O-] ZINC000833523419 605062982 /nfs/dbraw/zinc/06/29/82/605062982.db2.gz OQMHMZPSVZIYHB-QMMMGPOBSA-N -1 0 386.332 2.611 20 5 GFBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833416284 605124279 /nfs/dbraw/zinc/12/42/79/605124279.db2.gz VXTKHKNHMXTGIW-ZDUSSCGKSA-N -1 0 393.396 2.785 20 5 GFBDRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000832227482 605145033 /nfs/dbraw/zinc/14/50/33/605145033.db2.gz HVZGKVWTLVEBFO-ZXFUBFMLSA-N -1 0 390.440 2.967 20 5 GFBDRM CC(C)NS(=O)(=O)c1cccc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000833504328 605172502 /nfs/dbraw/zinc/17/25/02/605172502.db2.gz FRJPLHMLZKEJIS-UHFFFAOYSA-N -1 0 393.421 2.592 20 5 GFBDRM C[C@@H]1CCCN(C(=O)C2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)C1 ZINC000833616003 605177975 /nfs/dbraw/zinc/17/79/75/605177975.db2.gz UQBGQFGLASGGMN-CYBMUJFWSA-N -1 0 375.425 2.768 20 5 GFBDRM O=C([O-])Nc1ccc(CCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000834258912 605322323 /nfs/dbraw/zinc/32/23/23/605322323.db2.gz NGBYPBCCWSAWOG-UHFFFAOYSA-N -1 0 384.392 2.995 20 5 GFBDRM C[C@@H]1Cc2ccccc2[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833632559 605394714 /nfs/dbraw/zinc/39/47/14/605394714.db2.gz MDDOHSQLJAQUDA-HWPZZCPQSA-N -1 0 376.390 2.505 20 5 GFBDRM C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000833632093 605397401 /nfs/dbraw/zinc/39/74/01/605397401.db2.gz UNBQVBUFHKMOST-ZBEGNZNMSA-N -1 0 376.390 2.675 20 5 GFBDRM O=C([O-])N1CCC(CSCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000834080733 605409041 /nfs/dbraw/zinc/40/90/41/605409041.db2.gz BMMBCMFOHFVLNZ-UHFFFAOYSA-N -1 0 379.438 2.607 20 5 GFBDRM O=C([O-])N1CCC[C@H]1C1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000834046950 605451235 /nfs/dbraw/zinc/45/12/35/605451235.db2.gz WVYGQJDWRVVCIX-KRWDZBQOSA-N -1 0 390.440 2.701 20 5 GFBDRM O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]21 ZINC000834174231 605481961 /nfs/dbraw/zinc/48/19/61/605481961.db2.gz HHZHKFCFBLKYOD-UXEPBGEESA-N -1 0 386.408 2.513 20 5 GFBDRM O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@H]21 ZINC000834189344 605483595 /nfs/dbraw/zinc/48/35/95/605483595.db2.gz SWIABBFLSSFRFM-NILFDRSVSA-N -1 0 384.392 2.651 20 5 GFBDRM Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1NC(=O)[O-] ZINC000829930031 605576068 /nfs/dbraw/zinc/57/60/68/605576068.db2.gz HGPLMGJADZYHPS-UHFFFAOYSA-N -1 0 384.392 2.956 20 5 GFBDRM C[C@H]1CC[C@H](C(F)(F)F)CN1c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000833606508 605609108 /nfs/dbraw/zinc/60/91/08/605609108.db2.gz QWBPGCOZVOUETK-ONGXEEELSA-N -1 0 389.330 2.576 20 5 GFBDRM Cn1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833949252 605615485 /nfs/dbraw/zinc/61/54/85/605615485.db2.gz PPNNHTRZAYZNQR-WBVHZDCISA-N -1 0 385.424 2.712 20 5 GFBDRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000825838003 605764684 /nfs/dbraw/zinc/76/46/84/605764684.db2.gz LUUBDHULANGPAW-CMPLNLGQSA-N -1 0 390.421 2.979 20 5 GFBDRM O=C([O-])N1CCC2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000834090162 605907259 /nfs/dbraw/zinc/90/72/59/605907259.db2.gz JRPCNSJOEDXLFO-UHFFFAOYSA-N -1 0 381.816 2.783 20 5 GFBDRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000833813520 605949094 /nfs/dbraw/zinc/94/90/94/605949094.db2.gz PPKZQHOMCBNXNY-MNOVXSKESA-N -1 0 381.820 2.924 20 5 GFBDRM O=C([O-])NC[C@H]1CCCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000834213673 605960780 /nfs/dbraw/zinc/96/07/80/605960780.db2.gz CRQCMAIHRIRUMC-SNVBAGLBSA-N -1 0 388.327 2.850 20 5 GFBDRM COc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000833889197 605973949 /nfs/dbraw/zinc/97/39/49/605973949.db2.gz NIJYVXTXDFBEIZ-TZMCWYRMSA-N -1 0 392.412 2.990 20 5 GFBDRM CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000821104798 607192537 /nfs/dbraw/zinc/19/25/37/607192537.db2.gz REIHWVGKJXNNHA-UHFFFAOYSA-N -1 0 382.380 2.533 20 5 GFBDRM O=C([N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1ccc([N+](=O)[O-])s1 ZINC000826450734 608163868 /nfs/dbraw/zinc/16/38/68/608163868.db2.gz BCUZCOLTJMCGGH-UHFFFAOYSA-N -1 0 395.744 2.650 20 5 GFBDRM O=C([N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1scnc1Cl ZINC000826451156 608164147 /nfs/dbraw/zinc/16/41/47/608164147.db2.gz SGEDXOFCWWHGBI-UHFFFAOYSA-N -1 0 386.180 2.791 20 5 GFBDRM 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ZINC000830664001 660670413 /nfs/dbraw/zinc/67/04/13/660670413.db2.gz OGMQNCYWPQWARK-UHFFFAOYSA-N -1 0 380.209 2.931 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC23CCSCC3)cc([N+](=O)[O-])c1C ZINC000835034165 660838940 /nfs/dbraw/zinc/83/89/40/660838940.db2.gz ZIPDTMVLKJECGU-ZDUSSCGKSA-N -1 0 384.479 2.550 20 5 GFBDRM CCC[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000837297925 660984781 /nfs/dbraw/zinc/98/47/81/660984781.db2.gz UWDCQTJXXHMDIZ-TVQRCGJNSA-N -1 0 376.818 2.512 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(N)=O)cc([N+](=O)[O-])c1F ZINC000131866500 654919586 /nfs/dbraw/zinc/91/95/86/654919586.db2.gz ACCJEWNONULZNR-UHFFFAOYSA-N -1 0 387.776 2.595 20 5 GFBDRM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000156602062 655094277 /nfs/dbraw/zinc/09/42/77/655094277.db2.gz LIOSLNMRNXHONT-SECBINFHSA-N -1 0 393.259 2.989 20 5 GFBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000160222864 655120069 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397.210 2.806 20 5 GFBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)c([N+](=O)[O-])n1 ZINC000435933796 563660673 /nfs/dbraw/zinc/66/06/73/563660673.db2.gz FEQOOCQBAAFPDR-UHFFFAOYSA-N -1 0 382.295 2.770 20 5 GFBDRM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)cc(Cl)c2[O-])n1 ZINC000436769132 563679514 /nfs/dbraw/zinc/67/95/14/563679514.db2.gz YEBCIDSKKARFCK-UHFFFAOYSA-N -1 0 375.566 2.702 20 5 GFBDRM CCc1[nH]nc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C ZINC000438258925 563703484 /nfs/dbraw/zinc/70/34/84/563703484.db2.gz ZNUKQLJWHCSAJW-UHFFFAOYSA-N -1 0 389.231 2.752 20 5 GFBDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc([N+](=O)[O-])c1 ZINC000438712622 563709528 /nfs/dbraw/zinc/70/95/28/563709528.db2.gz FHLBVGLTXZCDGD-UHFFFAOYSA-N -1 0 388.760 2.975 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000439100930 563716735 /nfs/dbraw/zinc/71/67/35/563716735.db2.gz WWXMKCVSIGNDNO-MKPLZMMCSA-N -1 0 381.237 2.747 20 5 GFBDRM 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Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000832916476 602015203 /nfs/dbraw/zinc/01/52/03/602015203.db2.gz PWZBDVYRWMIAGJ-JTQLQIEISA-N -1 0 390.323 2.925 20 5 GFBDRM CC1CCN(c2ccc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)cc2[N+](=O)[O-])CC1 ZINC000236669115 602038064 /nfs/dbraw/zinc/03/80/64/602038064.db2.gz XUUGAWIHJLLZMW-LJQANCHMSA-N -1 0 375.425 2.768 20 5 GFBDRM NC(=O)c1ccc(CNc2ccc(OCC(=O)[O-])c3ccccc23)c([N+](=O)[O-])c1 ZINC000833085648 602115767 /nfs/dbraw/zinc/11/57/67/602115767.db2.gz VXOVICJGUJWFJM-UHFFFAOYSA-N -1 0 395.371 2.922 20 5 GFBDRM COc1ccc(CSCC(=O)O[C@@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000739901814 602230913 /nfs/dbraw/zinc/23/09/13/602230913.db2.gz HTLXODGRJFWEIZ-GFCCVEGCSA-N -1 0 384.410 2.522 20 5 GFBDRM COc1ccc(CC(=O)N2CCN(C(=O)[O-])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000739894151 602241675 /nfs/dbraw/zinc/24/16/75/602241675.db2.gz JEVTYOCUGPAFQW-UHFFFAOYSA-N -1 0 385.376 2.673 20 5 GFBDRM O=C([O-])N1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccccc2C1 ZINC000740527198 602256298 /nfs/dbraw/zinc/25/62/98/602256298.db2.gz OYCSBXCTRUFHKV-UHFFFAOYSA-N -1 0 385.376 2.962 20 5 GFBDRM COc1cc(COC(=O)c2cnccc2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000831999930 602287515 /nfs/dbraw/zinc/28/75/15/602287515.db2.gz DKAODRZAQYAGPR-UHFFFAOYSA-N -1 0 398.274 2.655 20 5 GFBDRM COc1cc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2Cl)ccc1[N+](=O)[O-] ZINC000832097967 602317488 /nfs/dbraw/zinc/31/74/88/602317488.db2.gz QKNOJRHAUCZLEG-UHFFFAOYSA-N -1 0 387.753 2.723 20 5 GFBDRM COc1cc(S(=O)(=O)Oc2ccc(SCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000832097470 602318148 /nfs/dbraw/zinc/31/81/48/602318148.db2.gz ACODWISXARTQEQ-UHFFFAOYSA-N -1 0 399.402 2.548 20 5 GFBDRM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCN(C)C(=O)[O-])cc1 ZINC000739931113 602341690 /nfs/dbraw/zinc/34/16/90/602341690.db2.gz WFVMDJYBCUCORQ-UHFFFAOYSA-N -1 0 389.364 2.735 20 5 GFBDRM O=C([O-])NCc1cccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000740681317 602455287 /nfs/dbraw/zinc/45/52/87/602455287.db2.gz FLGFVUUAMWHKPA-UHFFFAOYSA-N -1 0 386.769 2.784 20 5 GFBDRM C[C@H](CNC(=O)[O-])N(C)C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000739081661 602467465 /nfs/dbraw/zinc/46/74/65/602467465.db2.gz RGLGEDCYALCZJO-HZSPNIEDSA-N -1 0 392.456 2.805 20 5 GFBDRM C[C@](CNC(=O)[O-])(NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000738922612 602504869 /nfs/dbraw/zinc/50/48/69/602504869.db2.gz AAQNMZCJOYWUNM-QGZVFWFLSA-N -1 0 390.421 2.884 20 5 GFBDRM COc1ccc(S(=O)(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1[N+](=O)[O-] ZINC000739930764 602654604 /nfs/dbraw/zinc/65/46/04/602654604.db2.gz AOQCTEDNWCXXIP-UHFFFAOYSA-N -1 0 385.329 2.633 20 5 GFBDRM CC(C)c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1 ZINC000824352768 607578143 /nfs/dbraw/zinc/57/81/43/607578143.db2.gz MQJYYBHPYZZUKF-UHFFFAOYSA-N -1 0 389.393 2.666 20 5 GFBDRM O=C([O-])N1CC[C@@H](CCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000740425142 602720804 /nfs/dbraw/zinc/72/08/04/602720804.db2.gz AIXVMUMHANTWNI-SECBINFHSA-N -1 0 388.327 2.708 20 5 GFBDRM COc1ccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc1NC(=O)[O-] ZINC000739920117 602723904 /nfs/dbraw/zinc/72/39/04/602723904.db2.gz BSGJUKGFFRNVBM-UHFFFAOYSA-N -1 0 389.320 2.523 20 5 GFBDRM Cn1cc(C(=O)OC[C@@H]2CCCN(C(=O)[O-])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000740287544 602741747 /nfs/dbraw/zinc/74/17/47/602741747.db2.gz OETMFPONCGHGCC-GFCCVEGCSA-N -1 0 388.380 2.542 20 5 GFBDRM COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)cc1SC ZINC000739870250 602751929 /nfs/dbraw/zinc/75/19/29/602751929.db2.gz DJLIVJDEGLRDER-NXEZZACHSA-N -1 0 383.426 2.538 20 5 GFBDRM COc1cc(CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000739858641 602764963 /nfs/dbraw/zinc/76/49/63/602764963.db2.gz HDJCAKTYBXWBQA-MWLCHTKSSA-N -1 0 389.355 2.683 20 5 GFBDRM O=C([O-])N[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000740533598 603016887 /nfs/dbraw/zinc/01/68/87/603016887.db2.gz DHSJROBKIZHXJQ-OAHLLOKOSA-N -1 0 377.784 2.916 20 5 GFBDRM COc1cc(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c([N+](=O)[O-])cc1OC ZINC000829088139 603052036 /nfs/dbraw/zinc/05/20/36/603052036.db2.gz VFRABILSHPGQGK-UHFFFAOYSA-N -1 0 376.321 2.945 20 5 GFBDRM O=C([O-])N1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C2(CCCCC2)C1 ZINC000740526133 603064679 /nfs/dbraw/zinc/06/46/79/603064679.db2.gz JKBUKKCOAFPUKE-UHFFFAOYSA-N -1 0 387.396 2.610 20 5 GFBDRM C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3CNC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000825930533 603119204 /nfs/dbraw/zinc/11/92/04/603119204.db2.gz AYBYNGRJEVLXGI-DZGCQCFKSA-N -1 0 390.440 2.703 20 5 GFBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000825609922 603146536 /nfs/dbraw/zinc/14/65/36/603146536.db2.gz DZLWFRYTDQRUFG-ZYHUDNBSSA-N -1 0 385.804 2.616 20 5 GFBDRM CC(C)C[C@@](C)(CNC(=O)[O-])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000738805886 603225630 /nfs/dbraw/zinc/22/56/30/603225630.db2.gz KKTCKKPZPDFBIS-SFHVURJKSA-N -1 0 389.412 2.583 20 5 GFBDRM C[C@H](CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)NC(=O)[O-] ZINC000824744446 603255257 /nfs/dbraw/zinc/25/52/57/603255257.db2.gz YJDDAYNSOHPRQB-LLVKDONJSA-N -1 0 387.348 2.799 20 5 GFBDRM O=C([O-])N[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000740536150 603287559 /nfs/dbraw/zinc/28/75/59/603287559.db2.gz YWMOXCSQWCOWED-OAHLLOKOSA-N -1 0 377.784 2.916 20 5 GFBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000740098861 603316882 /nfs/dbraw/zinc/31/68/82/603316882.db2.gz LBTDLPVJDYHWQP-UHFFFAOYSA-N -1 0 391.405 2.987 20 5 GFBDRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000827822187 603452795 /nfs/dbraw/zinc/45/27/95/603452795.db2.gz IHKMXKCNMJHJEG-JTQLQIEISA-N -1 0 386.202 2.572 20 5 GFBDRM CC(C)[C@@H](CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)NC(=O)[O-] ZINC000824091402 603575974 /nfs/dbraw/zinc/57/59/74/603575974.db2.gz CRLWHSORFXXNJU-MRXNPFEDSA-N -1 0 392.456 2.949 20 5 GFBDRM C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825167599 603761747 /nfs/dbraw/zinc/76/17/47/603761747.db2.gz ZYVQKWCCCVBAJI-QWRGUYRKSA-N -1 0 384.820 2.826 20 5 GFBDRM C[C@@H](OC(=O)[C@H]1CCCCN1C(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000825559455 603815703 /nfs/dbraw/zinc/81/57/03/603815703.db2.gz DBZVXWZATMPMFQ-ZWNOBZJWSA-N -1 0 390.352 2.782 20 5 GFBDRM C[C@H](OC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000825561600 603845065 /nfs/dbraw/zinc/84/50/65/603845065.db2.gz POBGRUMNXOFIDN-BIMULSAOSA-N -1 0 390.352 2.685 20 5 GFBDRM COC(=O)c1cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000828748745 604012556 /nfs/dbraw/zinc/01/25/56/604012556.db2.gz AMDRCSQWHAXEAV-FTNCPSPGSA-N -1 0 391.380 2.631 20 5 GFBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000824347035 604179464 /nfs/dbraw/zinc/17/94/64/604179464.db2.gz SBSWMMMVONYVAH-HOCLYGCPSA-N -1 0 378.429 2.951 20 5 GFBDRM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000824063472 604237052 /nfs/dbraw/zinc/23/70/52/604237052.db2.gz BZUBFZONBFBCML-CQSZACIVSA-N -1 0 388.218 2.769 20 5 GFBDRM Cc1c(NC(=O)[C@H](C)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829876925 604256294 /nfs/dbraw/zinc/25/62/94/604256294.db2.gz IWWGXFGVBJNMNK-RDBSUJKOSA-N -1 0 378.429 2.598 20 5 GFBDRM COc1ccc(CNc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000832356196 604276961 /nfs/dbraw/zinc/27/69/61/604276961.db2.gz DPSPHNGSBJKZPH-GFCCVEGCSA-N -1 0 387.392 2.727 20 5 GFBDRM O=C([O-])N[C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000740599306 604346948 /nfs/dbraw/zinc/34/69/48/604346948.db2.gz ROBKDNNHIQOWBK-SECBINFHSA-N -1 0 381.186 2.752 20 5 GFBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000548579342 604362980 /nfs/dbraw/zinc/36/29/80/604362980.db2.gz QMDXFIIYSYFFDF-UHFFFAOYSA-N -1 0 392.433 2.959 20 5 GFBDRM 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XIVQXKTXAOOTSJ-QMMMGPOBSA-N -1 0 384.332 2.550 20 5 GFBDRM CSc1cc2c(cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)OCCO2 ZINC000442316998 563771608 /nfs/dbraw/zinc/77/16/08/563771608.db2.gz QJCYTYFHJPHFIJ-UHFFFAOYSA-N -1 0 382.419 2.889 20 5 GFBDRM CCCc1cnc([N-]S(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)s1 ZINC000416418502 563825654 /nfs/dbraw/zinc/82/56/54/563825654.db2.gz QXRBKOBIDUSTLE-UHFFFAOYSA-N -1 0 385.423 2.591 20 5 GFBDRM CCc1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)s1 ZINC000416422634 563827274 /nfs/dbraw/zinc/82/72/74/563827274.db2.gz NHPKRODVKSSKEV-UHFFFAOYSA-N -1 0 385.423 2.510 20 5 GFBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2c[nH]nc2-c2nccs2)cc1[N+](=O)[O-] ZINC000446970870 563871732 /nfs/dbraw/zinc/87/17/32/563871732.db2.gz BBESRNXCURSAJC-UHFFFAOYSA-N -1 0 379.423 2.859 20 5 GFBDRM C[C@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000565774799 564295892 /nfs/dbraw/zinc/29/58/92/564295892.db2.gz RYAGJGWKXKEMEK-WPRPVWTQSA-N -1 0 390.177 2.746 20 5 GFBDRM CO[C@@H](C)c1nc(=NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)s[n-]1 ZINC000451497369 564319243 /nfs/dbraw/zinc/31/92/43/564319243.db2.gz MQEJIRMUZPXWNN-LURJTMIESA-N -1 0 376.316 2.847 20 5 GFBDRM CO[C@H](C)c1nc(=NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])s[n-]1 ZINC000511084111 564356805 /nfs/dbraw/zinc/35/68/05/564356805.db2.gz BJWJVSZDWAFIJO-SFYZADRCSA-N -1 0 386.817 2.635 20 5 GFBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CCO[C@H](c2cccs2)C1 ZINC000451957310 564372497 /nfs/dbraw/zinc/37/24/97/564372497.db2.gz FKFONBWTWZBKEN-GWCFXTLKSA-N -1 0 386.426 2.994 20 5 GFBDRM CC1=CCN(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000545830869 564433304 /nfs/dbraw/zinc/43/33/04/564433304.db2.gz IYSSSBZFOQMWIZ-UHFFFAOYSA-N -1 0 394.280 2.832 20 5 GFBDRM O=C([O-])[C@@H]1CCCCCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000547933402 564522592 /nfs/dbraw/zinc/52/25/92/564522592.db2.gz RFNVWTQISHPNEF-ZYHUDNBSSA-N -1 0 390.845 2.950 20 5 GFBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000547935605 564523895 /nfs/dbraw/zinc/52/38/95/564523895.db2.gz KNEBXCCWTXIHHD-CYBMUJFWSA-N -1 0 384.797 2.661 20 5 GFBDRM C[C@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000570994150 564530705 /nfs/dbraw/zinc/53/07/05/564530705.db2.gz SKTAEVSVDONSIL-RISCZKNCSA-N -1 0 376.818 2.560 20 5 GFBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccsc1 ZINC000548198365 564535873 /nfs/dbraw/zinc/53/58/73/564535873.db2.gz NREYTYSQQBUQRE-CYBMUJFWSA-N -1 0 384.435 2.713 20 5 GFBDRM O=C([O-])[C@@H](CC1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000548221329 564538228 /nfs/dbraw/zinc/53/82/28/564538228.db2.gz URPBTOBTEOMGJO-GFCCVEGCSA-N -1 0 376.818 2.560 20 5 GFBDRM C[C@@H](CC(=O)[O-])C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000548246153 564543084 /nfs/dbraw/zinc/54/30/84/564543084.db2.gz AYGBOGNCCVQBDN-JTQLQIEISA-N -1 0 390.845 2.760 20 5 GFBDRM CCC[C@H](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000548263384 564545350 /nfs/dbraw/zinc/54/53/50/564545350.db2.gz AAXODTSKTWABBQ-JOYOIKCWSA-N -1 0 378.834 2.806 20 5 GFBDRM CCOC(=O)c1cc(S(=O)(=O)[N-]c2nc(C)cs2)cc([N+](=O)[O-])c1C ZINC000571479427 564553592 /nfs/dbraw/zinc/55/35/92/564553592.db2.gz QYRTYGRYBCIHIJ-UHFFFAOYSA-N -1 0 385.423 2.646 20 5 GFBDRM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000521147499 564620954 /nfs/dbraw/zinc/62/09/54/564620954.db2.gz HEDADBQMOCXEJB-LBPRGKRZSA-N -1 0 390.826 2.502 20 5 GFBDRM CC1(C)CC[C@](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])(C(=O)[O-])C1 ZINC000551911460 564668244 /nfs/dbraw/zinc/66/82/44/564668244.db2.gz FKZCVJKPZDYJKH-CQSZACIVSA-N -1 0 376.818 2.560 20 5 GFBDRM CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc1C ZINC000524297251 564679623 /nfs/dbraw/zinc/67/96/23/564679623.db2.gz MODBRGBWNQTQEM-UHFFFAOYSA-N -1 0 385.423 2.646 20 5 GFBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1cccs1 ZINC000575398407 564698155 /nfs/dbraw/zinc/69/81/55/564698155.db2.gz LKAWWKFFUCMBPQ-LBPRGKRZSA-N -1 0 382.419 2.880 20 5 GFBDRM Cc1csc(N2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)n1 ZINC000576229075 564708316 /nfs/dbraw/zinc/70/83/16/564708316.db2.gz KRWMTCSRDFBXLU-UHFFFAOYSA-N -1 0 382.829 2.681 20 5 GFBDRM CCc1nc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)s1 ZINC000488972357 564725120 /nfs/dbraw/zinc/72/51/20/564725120.db2.gz HNRYTAPXSZGXHO-UHFFFAOYSA-N -1 0 385.423 2.510 20 5 GFBDRM O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000461113850 564789626 /nfs/dbraw/zinc/78/96/26/564789626.db2.gz OCDXZWGEVQKTIR-UHFFFAOYSA-N -1 0 392.618 2.628 20 5 GFBDRM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462134870 564822974 /nfs/dbraw/zinc/82/29/74/564822974.db2.gz AGFVTFQQRIYVQD-UHFFFAOYSA-N -1 0 385.225 2.522 20 5 GFBDRM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000462300600 564832626 /nfs/dbraw/zinc/83/26/26/564832626.db2.gz RSKAYFLYTXOZHZ-SSDOTTSWSA-N -1 0 399.252 2.910 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@H]1CCO ZINC000494581228 564833936 /nfs/dbraw/zinc/83/39/36/564833936.db2.gz ULDNTQKIRDPRBD-KWQFWETISA-N -1 0 383.253 2.731 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CCO ZINC000494581226 564834530 /nfs/dbraw/zinc/83/45/30/564834530.db2.gz ULDNTQKIRDPRBD-GZMMTYOYSA-N -1 0 383.253 2.731 20 5 GFBDRM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000530423896 564880144 /nfs/dbraw/zinc/88/01/44/564880144.db2.gz FDLGTCMYTQIGRD-CQSZACIVSA-N -1 0 384.797 2.661 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1-c1nc[nH]n1 ZINC000498014436 564885476 /nfs/dbraw/zinc/88/54/76/564885476.db2.gz COPUOOSBKXXSJW-UHFFFAOYSA-N -1 0 379.785 2.834 20 5 GFBDRM CC[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000531006218 564899007 /nfs/dbraw/zinc/89/90/07/564899007.db2.gz ZCHZNLFILYRJAS-LBPRGKRZSA-N -1 0 385.829 2.779 20 5 GFBDRM CC[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1CC(F)F ZINC000583873961 564910622 /nfs/dbraw/zinc/91/06/22/564910622.db2.gz DCYSCLLQGNKYSE-SNVBAGLBSA-N -1 0 377.775 2.755 20 5 GFBDRM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000534206473 564982108 /nfs/dbraw/zinc/98/21/08/564982108.db2.gz GGSSQFAFNKCSLQ-UHFFFAOYSA-N -1 0 389.593 2.942 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nn1 ZINC000469001676 565002600 /nfs/dbraw/zinc/00/26/00/565002600.db2.gz PZZZXXPWFFTQCM-UHFFFAOYSA-N -1 0 382.707 2.858 20 5 GFBDRM Cc1nc(C=Cc2ccc(Br)cc2[N+](=O)[O-])[nH]c(=O)c1CC(=O)[O-] ZINC000504734264 565043526 /nfs/dbraw/zinc/04/35/26/565043526.db2.gz XTPYTCAXKXKWMN-HYXAFXHYSA-N -1 0 394.181 2.959 20 5 GFBDRM O=C([O-])[C@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCC1 ZINC000596062522 565511984 /nfs/dbraw/zinc/51/19/84/565511984.db2.gz HOLHGMYUNQHBDY-GFCCVEGCSA-N -1 0 386.202 2.980 20 5 GFBDRM C[C@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC000599227109 565662827 /nfs/dbraw/zinc/66/28/27/565662827.db2.gz SPDKIBJMUFAVCW-MRVPVSSYSA-N -1 0 393.252 2.717 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC[C@@H]1CCCOC1 ZINC000599364170 565672409 /nfs/dbraw/zinc/67/24/09/565672409.db2.gz ICMVDRILDNAELH-VIFPVBQESA-N -1 0 383.253 2.997 20 5 GFBDRM Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])nnc1C ZINC000609848795 566055160 /nfs/dbraw/zinc/05/51/60/566055160.db2.gz CTUKIXWJXOOYDJ-UHFFFAOYSA-N -1 0 387.215 2.565 20 5 GFBDRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccc21 ZINC000609907100 566058002 /nfs/dbraw/zinc/05/80/02/566058002.db2.gz YCEQBRPZYOOJOA-SNVBAGLBSA-N -1 0 382.781 2.625 20 5 GFBDRM O=C([O-])c1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(F)c1 ZINC000740150553 598029205 /nfs/dbraw/zinc/02/92/05/598029205.db2.gz UTLGEEBTYRJUOB-UHFFFAOYSA-N -1 0 388.355 2.786 20 5 GFBDRM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821161272 599456305 /nfs/dbraw/zinc/45/63/05/599456305.db2.gz YCEFSJFCVWSUHB-NSHDSACASA-N -1 0 382.380 2.704 20 5 GFBDRM C[C@@H](OC(=O)c1ccccc1C(=O)[O-])C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000736698439 599827599 /nfs/dbraw/zinc/82/75/99/599827599.db2.gz PXENBUKBMNNBRL-SECBINFHSA-N -1 0 376.296 2.616 20 5 GFBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 ZINC000262646660 599868984 /nfs/dbraw/zinc/86/89/84/599868984.db2.gz RCLMOHWUSKKFID-OAHLLOKOSA-N -1 0 384.344 2.999 20 5 GFBDRM CSc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000738211391 599878877 /nfs/dbraw/zinc/87/88/77/599878877.db2.gz HHPWGJZUGMXXDE-OAHLLOKOSA-N -1 0 396.446 2.811 20 5 GFBDRM COc1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000737848920 599937557 /nfs/dbraw/zinc/93/75/57/599937557.db2.gz IIOQVOACBHZACF-CQSZACIVSA-N -1 0 388.376 2.948 20 5 GFBDRM Cc1nn(C)c(C(=O)OCc2c3ccccc3sc2C(=O)[O-])c1[N+](=O)[O-] ZINC000738906434 599945797 /nfs/dbraw/zinc/94/57/97/599945797.db2.gz RKSDWFBATAZKMU-UHFFFAOYSA-N -1 0 375.362 2.907 20 5 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ZINC000737947584 599722576 /nfs/dbraw/zinc/72/25/76/599722576.db2.gz IUKIVAAMWHBFEA-UHFFFAOYSA-N -1 0 387.753 2.723 20 5 GFBDRM O=C([O-])COc1cccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 ZINC000739826023 599788940 /nfs/dbraw/zinc/78/89/40/599788940.db2.gz RZFVAKFKRJJINH-UHFFFAOYSA-N -1 0 382.332 2.701 20 5 GFBDRM Cc1nc(C)c(CCNc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])s1 ZINC000738848618 599854831 /nfs/dbraw/zinc/85/48/31/599854831.db2.gz XRGBKVOCWKWDGS-SNVBAGLBSA-N -1 0 392.437 2.526 20 5 GFBDRM COc1cc(C(=O)OCc2cc(C(=O)[O-])co2)c([N+](=O)[O-])cc1OC(F)F ZINC000737861265 599879212 /nfs/dbraw/zinc/87/92/12/599879212.db2.gz CQLROGRQSIYIEG-UHFFFAOYSA-N -1 0 387.247 2.853 20 5 GFBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738524838 600020200 /nfs/dbraw/zinc/02/02/00/600020200.db2.gz HZHDIKVNTSZMIR-JTQLQIEISA-N -1 0 390.323 2.925 20 5 GFBDRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)C2 ZINC000740200892 600042462 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XSMJGTQEHDSCGQ-DYVFJYSZSA-N -1 0 397.431 2.791 20 5 GFBDRM O=C([O-])c1cc(OCC(=O)Nc2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000739328535 600442468 /nfs/dbraw/zinc/44/24/68/600442468.db2.gz KKJRBYPJGNLSFC-UHFFFAOYSA-N -1 0 382.275 2.912 20 5 GFBDRM C[C@H](NC(=O)c1ccc(NCCc2ccc(F)cc2F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657435 600460860 /nfs/dbraw/zinc/46/08/60/600460860.db2.gz RZZUNMXLQPPPNJ-JTQLQIEISA-N -1 0 393.346 2.731 20 5 GFBDRM O=C([O-])CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000739686339 600481542 /nfs/dbraw/zinc/48/15/42/600481542.db2.gz HIHXXFLQNVQEDE-UHFFFAOYSA-N -1 0 389.320 2.999 20 5 GFBDRM CCOc1ccc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1[N+](=O)[O-] ZINC000737195206 600538008 /nfs/dbraw/zinc/53/80/08/600538008.db2.gz LTXYRFLICSXLBK-UHFFFAOYSA-N -1 0 380.382 2.505 20 5 GFBDRM C[C@H](NC(=O)Nc1nnc(CCCC(=O)[O-])s1)c1cccc([N+](=O)[O-])c1 ZINC000736650388 600637227 /nfs/dbraw/zinc/63/72/27/600637227.db2.gz NRURRXSWWADQJB-VIFPVBQESA-N -1 0 379.398 2.736 20 5 GFBDRM COC(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000831410378 600660958 /nfs/dbraw/zinc/66/09/58/600660958.db2.gz IVCNOCNFUBIOQB-JTQLQIEISA-N -1 0 387.348 2.962 20 5 GFBDRM COc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C ZINC000484545197 600690839 /nfs/dbraw/zinc/69/08/39/600690839.db2.gz WAINEGIRCQYNHU-UHFFFAOYSA-N -1 0 380.378 2.719 20 5 GFBDRM Cc1ccc(S(=O)(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1C(=O)[O-] ZINC000832955006 600782990 /nfs/dbraw/zinc/78/29/90/600782990.db2.gz ZAXWXYNAKYJTFJ-UHFFFAOYSA-N -1 0 376.390 2.743 20 5 GFBDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000237493195 600791312 /nfs/dbraw/zinc/79/13/12/600791312.db2.gz QMFRJYSQDGKXGN-GFCCVEGCSA-N -1 0 380.360 2.970 20 5 GFBDRM CO[C@H](CNc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000831520159 600810934 /nfs/dbraw/zinc/81/09/34/600810934.db2.gz WFHCNJMKTRKJGA-YVEFUNNKSA-N -1 0 387.392 2.597 20 5 GFBDRM O=C([O-])c1cc(OCC(=O)c2ccc(N3CCOC3=O)cc2)ccc1[N+](=O)[O-] ZINC000739329952 600818553 /nfs/dbraw/zinc/81/85/53/600818553.db2.gz VSBGXZUWQBFGDG-UHFFFAOYSA-N -1 0 386.316 2.511 20 5 GFBDRM C[C@H](NC(=O)c1ccc(N(C)CCc2cccs2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827694281 600824234 /nfs/dbraw/zinc/82/42/34/600824234.db2.gz CZDSAMWAISOQHD-NSHDSACASA-N -1 0 377.422 2.538 20 5 GFBDRM O=C([O-])c1ccc(OCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(Cl)c1 ZINC000833321534 600832922 /nfs/dbraw/zinc/83/29/22/600832922.db2.gz FRSYQKQRSJHBHQ-UHFFFAOYSA-N -1 0 390.735 2.621 20 5 GFBDRM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000832931966 600889739 /nfs/dbraw/zinc/88/97/39/600889739.db2.gz AZIIDIHZIVQIGC-KRWDZBQOSA-N -1 0 397.387 2.731 20 5 GFBDRM Cc1ccc(S(=O)(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000360131151 600895453 /nfs/dbraw/zinc/89/54/53/600895453.db2.gz QYJNZIXDNJREJJ-LBPRGKRZSA-N -1 0 376.390 2.670 20 5 GFBDRM CS(=O)(=O)c1c(Cl)cccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738138850 601030625 /nfs/dbraw/zinc/03/06/25/601030625.db2.gz KPPVNJNSOFCCRU-UHFFFAOYSA-N -1 0 398.780 2.602 20 5 GFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000548569285 601129133 /nfs/dbraw/zinc/12/91/33/601129133.db2.gz HEFLKNDJKHWNOI-BLLLJJGKSA-N -1 0 378.406 2.644 20 5 GFBDRM CCOC(=O)c1cc(C(=O)NC2(CC(=O)[O-])CCCCC2)cc([N+](=O)[O-])c1 ZINC000595998954 601186882 /nfs/dbraw/zinc/18/68/82/601186882.db2.gz HYUHWSXWSWENGO-UHFFFAOYSA-N -1 0 378.381 2.679 20 5 GFBDRM CC(C)[C@H](CNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])c1cccnc1 ZINC000826686779 601254598 /nfs/dbraw/zinc/25/45/98/601254598.db2.gz CITWGRMYNWENAL-HNNXBMFYSA-N -1 0 386.408 2.656 20 5 GFBDRM C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738220167 601270052 /nfs/dbraw/zinc/27/00/52/601270052.db2.gz VYQWGKUGLYVWBH-NSHDSACASA-N -1 0 387.348 2.546 20 5 GFBDRM CCN(CC)S(=O)(=O)c1ccc(NCC2(C(=O)[O-])CCCC2)c([N+](=O)[O-])c1 ZINC000592980884 601379197 /nfs/dbraw/zinc/37/91/97/601379197.db2.gz CFFXCQGZESMBMY-UHFFFAOYSA-N -1 0 399.469 2.682 20 5 GFBDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1Cl ZINC000827695250 601385137 /nfs/dbraw/zinc/38/51/37/601385137.db2.gz PRLCHLLONDVQOX-AYVTZFPOSA-N -1 0 396.758 2.937 20 5 GFBDRM Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000832955280 601399254 /nfs/dbraw/zinc/39/92/54/601399254.db2.gz WSDWFGMORUDVPD-GFCCVEGCSA-N -1 0 378.406 2.949 20 5 GFBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000551237499 601475747 /nfs/dbraw/zinc/47/57/47/601475747.db2.gz HLWPHIGEQGLGTM-HNNXBMFYSA-N -1 0 378.406 2.706 20 5 GFBDRM Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000794913757 601516846 /nfs/dbraw/zinc/51/68/46/601516846.db2.gz HCBOLPAXUBXUQR-SNVBAGLBSA-N -1 0 378.834 2.582 20 5 GFBDRM Cc1ccc([C@@H](CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)N2CCOCC2)o1 ZINC000519161988 601544315 /nfs/dbraw/zinc/54/43/15/601544315.db2.gz VXUYEPHOLPBEHU-MRXNPFEDSA-N -1 0 389.408 2.988 20 5 GFBDRM Cc1nn(Cc2ccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000237635783 601627272 /nfs/dbraw/zinc/62/72/72/601627272.db2.gz SKFCQYYOLKRQHQ-MRXNPFEDSA-N -1 0 386.408 2.536 20 5 GFBDRM O=C([O-])[C@]1(F)CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000262848016 601716654 /nfs/dbraw/zinc/71/66/54/601716654.db2.gz UUYKYONMJRPTMM-IBGZPJMESA-N -1 0 387.367 2.846 20 5 GFBDRM COc1cccc2c1CC[C@@H]2Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832578368 601863663 /nfs/dbraw/zinc/86/36/63/601863663.db2.gz WDBAKCLHTUHVFV-NHYWBVRUSA-N -1 0 399.403 2.906 20 5 GFBDRM COc1cc(OCC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000262223715 601898851 /nfs/dbraw/zinc/89/88/51/601898851.db2.gz UGEIOUXFYPUWGH-KBPBESRZSA-N -1 0 380.397 2.522 20 5 GFBDRM CN(C(=O)CN1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000739571578 601925953 /nfs/dbraw/zinc/92/59/53/601925953.db2.gz HOOORFMGBIZEHC-IRXDYDNUSA-N -1 0 390.440 2.555 20 5 GFBDRM COc1ccc(CC(=O)NCC2(NC(=O)[O-])CCCCCC2)cc1[N+](=O)[O-] ZINC000739896382 602099308 /nfs/dbraw/zinc/09/93/08/602099308.db2.gz VVYMYQZVODRBHO-UHFFFAOYSA-N -1 0 379.413 2.623 20 5 GFBDRM COC(=O)c1ccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1C(=O)[O-] ZINC000831428594 602177079 /nfs/dbraw/zinc/17/70/79/602177079.db2.gz RWHBXVFKMLAQIS-UHFFFAOYSA-N -1 0 376.296 2.779 20 5 GFBDRM CC(C)(C(=O)[O-])[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000826105698 602217095 /nfs/dbraw/zinc/21/70/95/602217095.db2.gz GODFLGJKCKFZQZ-OAHLLOKOSA-N -1 0 378.406 2.725 20 5 GFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740048439 602245541 /nfs/dbraw/zinc/24/55/41/602245541.db2.gz HFSGKKCYIGPJOP-UHFFFAOYSA-N -1 0 377.378 2.745 20 5 GFBDRM CS(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(C(=O)[O-])c1 ZINC000486355640 602252230 /nfs/dbraw/zinc/25/22/30/602252230.db2.gz SHYJIODNMKZFOB-UHFFFAOYSA-N -1 0 398.780 2.602 20 5 GFBDRM COc1ccc(OC)c2c1CN(c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)C[C@@H]2O ZINC000832438959 602313098 /nfs/dbraw/zinc/31/30/98/602313098.db2.gz GDUQVHOSXJLHND-AWEZNQCLSA-N -1 0 388.376 2.672 20 5 GFBDRM Cc1cc(N2CCN(C(=O)C3CCCCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891368 602314812 /nfs/dbraw/zinc/31/48/12/602314812.db2.gz RWLIBPFMDVEDSD-UHFFFAOYSA-N -1 0 375.425 2.830 20 5 GFBDRM Cc1c(C(=O)N2CCC(CN(C)C(=O)[O-])CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000740036651 602366594 /nfs/dbraw/zinc/36/65/94/602366594.db2.gz OGFUNKIJFXJNBY-UHFFFAOYSA-N -1 0 394.384 2.582 20 5 GFBDRM CCC(CC)(CNC(=O)[O-])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000739249517 602453729 /nfs/dbraw/zinc/45/37/29/602453729.db2.gz JYFIHGWEQLOIDT-UHFFFAOYSA-N -1 0 392.456 2.754 20 5 GFBDRM CN(C[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1)C(=O)[O-] ZINC000739650197 602483105 /nfs/dbraw/zinc/48/31/05/602483105.db2.gz MCFWLZPGPPKQHY-HNNXBMFYSA-N -1 0 393.443 2.613 20 5 GFBDRM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737566501 602529552 /nfs/dbraw/zinc/52/95/52/602529552.db2.gz PVPVZKPXGOEFSM-SNVBAGLBSA-N -1 0 384.820 2.649 20 5 GFBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000739932706 602579553 /nfs/dbraw/zinc/57/95/53/602579553.db2.gz KJDPEUSHLBDHPW-IUODEOHRSA-N -1 0 392.412 2.990 20 5 GFBDRM COc1ccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1NC(=O)[O-] ZINC000739925795 602710013 /nfs/dbraw/zinc/71/00/13/602710013.db2.gz VHQYXWZJXXWFSO-CQSZACIVSA-N -1 0 386.364 2.911 20 5 GFBDRM CC1CCN(c2ccc(C(=O)N3CCN(C(=O)[O-])C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000739106188 602717519 /nfs/dbraw/zinc/71/75/19/602717519.db2.gz AQSSCQWTTLXWJO-CQSZACIVSA-N -1 0 390.440 2.655 20 5 GFBDRM COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)cc1SC ZINC000739870251 602751981 /nfs/dbraw/zinc/75/19/81/602751981.db2.gz DJLIVJDEGLRDER-UWVGGRQHSA-N -1 0 383.426 2.538 20 5 GFBDRM C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)N1C(=O)[O-] ZINC000739173808 602765848 /nfs/dbraw/zinc/76/58/48/602765848.db2.gz LPLCOHFBTROTAJ-GHMZBOCLSA-N -1 0 390.421 2.931 20 5 GFBDRM CCOc1cc(NC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])c([N+](=O)[O-])cc1OCC ZINC000739493063 602943846 /nfs/dbraw/zinc/94/38/46/602943846.db2.gz CKWJVXOKGZQOEM-GHMZBOCLSA-N -1 0 381.385 2.767 20 5 GFBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000739872333 603103825 /nfs/dbraw/zinc/10/38/25/603103825.db2.gz QWPQTALNFSHQQV-LLVKDONJSA-N -1 0 388.380 2.983 20 5 GFBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000825609920 603146834 /nfs/dbraw/zinc/14/68/34/603146834.db2.gz DZLWFRYTDQRUFG-JQWIXIFHSA-N -1 0 385.804 2.616 20 5 GFBDRM O=C([O-])Nc1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1F ZINC000740693384 603230275 /nfs/dbraw/zinc/23/02/75/603230275.db2.gz XHQHGWHMYCLSAD-NSHDSACASA-N -1 0 389.343 2.545 20 5 GFBDRM COc1ccc(CNC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000829372311 603378837 /nfs/dbraw/zinc/37/88/37/603378837.db2.gz POGSIBFNKWWGRH-SJCJKPOMSA-N -1 0 387.392 2.865 20 5 GFBDRM CC(C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)NC(=O)[O-] ZINC000738778391 603406321 /nfs/dbraw/zinc/40/63/21/603406321.db2.gz RKMSNVCDQZCSBG-MRXNPFEDSA-N -1 0 381.432 2.563 20 5 GFBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000829515908 603451044 /nfs/dbraw/zinc/45/10/44/603451044.db2.gz NFLANRZZVILEFD-UHFFFAOYSA-N -1 0 392.412 2.990 20 5 GFBDRM CC(C)N(CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000824347069 603455539 /nfs/dbraw/zinc/45/55/39/603455539.db2.gz TWJIDQRLVYBXEX-UHFFFAOYSA-N -1 0 388.218 2.866 20 5 GFBDRM O=C([O-])N[C@H]1CC[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000832305285 603455975 /nfs/dbraw/zinc/45/59/75/603455975.db2.gz GGBUWOHDROGGQT-WPRPVWTQSA-N -1 0 387.186 2.837 20 5 GFBDRM O=C([O-])N(CC1CC1)C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000831433316 603468053 /nfs/dbraw/zinc/46/80/53/603468053.db2.gz RHPJEWKJZHUVBB-UHFFFAOYSA-N -1 0 390.440 2.778 20 5 GFBDRM C[C@@H]1CN(C(=O)[O-])c2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000826025808 603586534 /nfs/dbraw/zinc/58/65/34/603586534.db2.gz FHMCQLVETGHGGK-LLVKDONJSA-N -1 0 377.378 2.677 20 5 GFBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1c2ccccc2N(C(=O)[O-])C[C@H]1C ZINC000830531324 603589558 /nfs/dbraw/zinc/58/95/58/603589558.db2.gz DZKIUSBGJNOGGP-GFCCVEGCSA-N -1 0 391.405 2.985 20 5 GFBDRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000832148508 603613220 /nfs/dbraw/zinc/61/32/20/603613220.db2.gz QTXRRRDRKKXILR-CQSZACIVSA-N -1 0 385.332 2.658 20 5 GFBDRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000832149345 603717561 /nfs/dbraw/zinc/71/75/61/603717561.db2.gz ZDGQROUGMASWAC-HNNXBMFYSA-N -1 0 377.784 2.743 20 5 GFBDRM C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825167600 603761716 /nfs/dbraw/zinc/76/17/16/603761716.db2.gz ZYVQKWCCCVBAJI-WDEREUQCSA-N -1 0 384.820 2.826 20 5 GFBDRM C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825156775 603849615 /nfs/dbraw/zinc/84/96/15/603849615.db2.gz RMNRQAOLXZXMFF-QWHCGFSZSA-N -1 0 378.429 2.908 20 5 GFBDRM Cc1ccc([C@H](C)NC(=O)N2CCC(CN(C)C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000830252466 603866511 /nfs/dbraw/zinc/86/65/11/603866511.db2.gz XLONPULBIVCPTD-ZDUSSCGKSA-N -1 0 378.429 2.996 20 5 GFBDRM Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000830256634 603866550 /nfs/dbraw/zinc/86/65/50/603866550.db2.gz JZBOLRMVRFNQCI-KBPBESRZSA-N -1 0 378.429 2.996 20 5 GFBDRM C[C@H](OC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000825537776 604108652 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GFBDRM O=C([O-])c1ccc2c(c1)CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000739294475 600088832 /nfs/dbraw/zinc/08/88/32/600088832.db2.gz VVBZDDWQQYIDOZ-UHFFFAOYSA-N -1 0 375.768 2.901 20 5 GFBDRM COc1cc(OCC(=O)OCc2ccc(F)cc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000737902056 600116727 /nfs/dbraw/zinc/11/67/27/600116727.db2.gz IJEAWEQCEYQIMD-UHFFFAOYSA-N -1 0 379.296 2.563 20 5 GFBDRM O=C([O-])c1cccc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000740217416 600163183 /nfs/dbraw/zinc/16/31/83/600163183.db2.gz ZGALWOIJGWIBKT-UHFFFAOYSA-N -1 0 385.376 2.761 20 5 GFBDRM Cc1ccc([C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C(=O)[O-])cc1 ZINC000582179302 600169936 /nfs/dbraw/zinc/16/99/36/600169936.db2.gz VMHPQUFNOXZXNF-MRXNPFEDSA-N -1 0 392.433 2.667 20 5 GFBDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000485906206 600174491 /nfs/dbraw/zinc/17/44/91/600174491.db2.gz LNOQAYLQUUDLAZ-UHFFFAOYSA-N -1 0 397.343 2.873 20 5 GFBDRM O=C([O-])c1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000740229108 600191118 /nfs/dbraw/zinc/19/11/18/600191118.db2.gz WIZTZAVGTMKQPA-LBPRGKRZSA-N -1 0 389.389 2.598 20 5 GFBDRM Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(C)C ZINC000738755132 600192265 /nfs/dbraw/zinc/19/22/65/600192265.db2.gz OJVRDQNOKYLRQJ-QGZVFWFLSA-N -1 0 399.403 2.995 20 5 GFBDRM O=Cc1ccc(OCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000740318631 600203572 /nfs/dbraw/zinc/20/35/72/600203572.db2.gz OGRJCBPPSNRBNZ-UHFFFAOYSA-N -1 0 378.724 2.776 20 5 GFBDRM CCc1nc([C@H](C)Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])cs1 ZINC000737275974 600240638 /nfs/dbraw/zinc/24/06/38/600240638.db2.gz CLRVMWFRPIAYKD-VIFPVBQESA-N -1 0 378.410 2.601 20 5 GFBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736703694 600275353 /nfs/dbraw/zinc/27/53/53/600275353.db2.gz XRRGZZDIVFQDOO-CMPLNLGQSA-N -1 0 382.800 2.729 20 5 GFBDRM 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CC[C@@H](C(=O)[O-])N(c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000736851529 600400035 /nfs/dbraw/zinc/40/00/35/600400035.db2.gz PLSSARQOXDCODD-HNNXBMFYSA-N -1 0 378.406 2.962 20 5 GFBDRM Cc1nn(Cc2ccc(C(=O)NC(C)(C)CCC(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000237876883 600417166 /nfs/dbraw/zinc/41/71/66/600417166.db2.gz VDAANYYEAVJRQK-UHFFFAOYSA-N -1 0 388.424 2.830 20 5 GFBDRM C[C@@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000736702601 600462427 /nfs/dbraw/zinc/46/24/27/600462427.db2.gz CQUUVQNGUINYGO-IAQYHMDHSA-N -1 0 386.360 2.700 20 5 GFBDRM CCCOc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000737034354 600464594 /nfs/dbraw/zinc/46/45/94/600464594.db2.gz HZZRQZQYFOGVMM-UHFFFAOYSA-N -1 0 381.362 2.850 20 5 GFBDRM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000262451383 600486211 /nfs/dbraw/zinc/48/62/11/600486211.db2.gz RNEQUXNORDMTGB-KRWDZBQOSA-N -1 0 397.387 2.926 20 5 GFBDRM C[C@@H](NC(=O)c1ccc(NCCc2cccc(F)c2F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655820 600498728 /nfs/dbraw/zinc/49/87/28/600498728.db2.gz FUUVJHDBNSYSMA-SNVBAGLBSA-N -1 0 393.346 2.731 20 5 GFBDRM Cc1cc(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)c(N)c([N+](=O)[O-])c1 ZINC000738332975 600536683 /nfs/dbraw/zinc/53/66/83/600536683.db2.gz WKBZEVRQSXYNEN-UHFFFAOYSA-N -1 0 387.392 2.659 20 5 GFBDRM O=C([O-])CCCc1nnc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)s1 ZINC000739713105 600541318 /nfs/dbraw/zinc/54/13/18/600541318.db2.gz YCCJIHGGUYTDLQ-UHFFFAOYSA-N -1 0 391.409 2.680 20 5 GFBDRM Cc1cccc(N2C[C@@H](C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2=O)c1C ZINC000738733585 600542534 /nfs/dbraw/zinc/54/25/34/600542534.db2.gz ZQHCGSGXJPBXHG-AWEZNQCLSA-N -1 0 397.387 2.901 20 5 GFBDRM O=C([O-])c1cc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc([N+](=O)[O-])c1 ZINC000739243799 600543963 /nfs/dbraw/zinc/54/39/63/600543963.db2.gz MVHUKXKDCHJMKQ-UHFFFAOYSA-N -1 0 396.359 2.903 20 5 GFBDRM C[C@@H](NC(=O)c1ccc(NC[C@@H]2OCCc3ccccc32)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655136 600611199 /nfs/dbraw/zinc/61/11/99/600611199.db2.gz BRTNHNGLMZOTCU-XIKOKIGWSA-N -1 0 399.403 2.524 20 5 GFBDRM C[C@H](NC(=O)c1ccc(N[C@H]2C[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704189 600817195 /nfs/dbraw/zinc/81/71/95/600817195.db2.gz UVOZZAMUEDAQNV-MJEQTWJJSA-N -1 0 383.404 2.841 20 5 GFBDRM C[C@H](NC(=O)c1ccc(N[C@@H]2C[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704192 600817328 /nfs/dbraw/zinc/81/73/28/600817328.db2.gz UVOZZAMUEDAQNV-XGWLTEMNSA-N -1 0 383.404 2.841 20 5 GFBDRM Cc1ccc(CC[C@@H](C)Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])o1 ZINC000832929951 600821574 /nfs/dbraw/zinc/82/15/74/600821574.db2.gz HHJHQUDQNDENDL-LLVKDONJSA-N -1 0 375.381 2.744 20 5 GFBDRM Cc1cccc2oc(CCNc3ccc(C(=O)NCC(=O)[O-])cc3[N+](=O)[O-])nc21 ZINC000832973395 600828689 /nfs/dbraw/zinc/82/86/89/600828689.db2.gz AIXAAJBFFMBJQR-UHFFFAOYSA-N -1 0 398.375 2.513 20 5 GFBDRM 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376.799 2.897 20 5 GFBDRM O=C([N-]S(=O)(=O)Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000744295904 655738215 /nfs/dbraw/zinc/73/82/15/655738215.db2.gz OVLGHODEFQUERD-UHFFFAOYSA-N -1 0 399.222 2.617 20 5 GFBDRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1Cl ZINC000759449565 655954708 /nfs/dbraw/zinc/95/47/08/655954708.db2.gz CFFSDUMWYGKVMM-UHFFFAOYSA-N -1 0 388.760 2.515 20 5 GFBDRM CCO[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000760999826 655996129 /nfs/dbraw/zinc/99/61/29/655996129.db2.gz GDETZBIDALNODQ-CYBMUJFWSA-N -1 0 378.834 2.504 20 5 GFBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2cc(F)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000761421702 656015199 /nfs/dbraw/zinc/01/51/99/656015199.db2.gz XLIBEQKPDHTZAB-UHFFFAOYSA-N -1 0 388.760 2.515 20 5 GFBDRM CSc1ccccc1C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000762738216 656057184 /nfs/dbraw/zinc/05/71/84/656057184.db2.gz NSMSORCFPBUJMX-UHFFFAOYSA-N -1 0 380.447 2.619 20 5 GFBDRM C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000774101706 656492592 /nfs/dbraw/zinc/49/25/92/656492592.db2.gz GCFQCDOGOSZDQM-FPLPWBNLSA-N -1 0 375.834 2.628 20 5 GFBDRM CCn1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Br)nc1C ZINC000775202377 656614991 /nfs/dbraw/zinc/61/49/91/656614991.db2.gz OQFUPBWHOBYATB-UHFFFAOYSA-N -1 0 389.231 2.683 20 5 GFBDRM C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000776527175 656751638 /nfs/dbraw/zinc/75/16/38/656751638.db2.gz OWLCMUATOBWCEM-DTWKUNHWSA-N -1 0 391.243 2.598 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000776565143 656759210 /nfs/dbraw/zinc/75/92/10/656759210.db2.gz LNNPBDSXIPWUKQ-NSHDSACASA-N -1 0 384.435 2.790 20 5 GFBDRM Cc1cc(S(=O)(=O)N[C@@H](C)CCC[C@H](C)C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000776573369 656761309 /nfs/dbraw/zinc/76/13/09/656761309.db2.gz IZWXWUMUAWHHON-ONGXEEELSA-N -1 0 376.406 2.600 20 5 GFBDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000776584509 656763085 /nfs/dbraw/zinc/76/30/85/656763085.db2.gz UOQQPNSYSQPIIL-BXKDBHETSA-N -1 0 376.406 2.600 20 5 GFBDRM CCCCC[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000776687005 656782226 /nfs/dbraw/zinc/78/22/26/656782226.db2.gz RNKSASFVXZGZFR-GHMZBOCLSA-N -1 0 394.496 2.753 20 5 GFBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CCOCC ZINC000777318709 656818640 /nfs/dbraw/zinc/81/86/40/656818640.db2.gz RICCRYHPVDCQMB-UHFFFAOYSA-N -1 0 390.483 2.583 20 5 GFBDRM CSc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2F)c1[N+](=O)[O-] ZINC000777370465 656822344 /nfs/dbraw/zinc/82/23/44/656822344.db2.gz QFYHMLYJBPUETA-UHFFFAOYSA-N -1 0 388.373 2.714 20 5 GFBDRM CCOC(=O)c1oc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1C ZINC000778087802 656860527 /nfs/dbraw/zinc/86/05/27/656860527.db2.gz DSWYZKMRTKNYIP-UHFFFAOYSA-N -1 0 389.773 2.522 20 5 GFBDRM CSc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000785240825 657349471 /nfs/dbraw/zinc/34/94/71/657349471.db2.gz QHXQBYRPQYCJAI-UHFFFAOYSA-N -1 0 384.410 2.716 20 5 GFBDRM CS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1F ZINC000786524534 657438350 /nfs/dbraw/zinc/43/83/50/657438350.db2.gz BELATKVGEMWLID-UHFFFAOYSA-N -1 0 388.760 2.749 20 5 GFBDRM CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000787320443 657542825 /nfs/dbraw/zinc/54/28/25/657542825.db2.gz UZVPTRSSFUVNIV-AWEZNQCLSA-N -1 0 376.818 2.575 20 5 GFBDRM COC(=O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1F ZINC000788217702 657674032 /nfs/dbraw/zinc/67/40/32/657674032.db2.gz UJVSPOASBVNZRW-UHFFFAOYSA-N -1 0 388.760 2.975 20 5 GFBDRM CCCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000789487461 657856537 /nfs/dbraw/zinc/85/65/37/657856537.db2.gz SIMPKIUERQLYDI-UHFFFAOYSA-N -1 0 383.451 2.739 20 5 GFBDRM NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791433208 658098367 /nfs/dbraw/zinc/09/83/67/658098367.db2.gz SCLFSVAIKUKILP-UHFFFAOYSA-N -1 0 390.204 2.801 20 5 GFBDRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cc([N+](=O)[O-])c1C ZINC000791758912 658172052 /nfs/dbraw/zinc/17/20/52/658172052.db2.gz LLLHRPPHKMHPTN-UHFFFAOYSA-N -1 0 390.826 2.745 20 5 GFBDRM Cc1csc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1Cl ZINC000791867187 658196042 /nfs/dbraw/zinc/19/60/42/658196042.db2.gz ATZFCWJTCXRBMU-UHFFFAOYSA-N -1 0 378.790 2.876 20 5 GFBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)c(F)c1 ZINC000795631242 658837908 /nfs/dbraw/zinc/83/79/08/658837908.db2.gz YIKQGPRVEKTHHT-UHFFFAOYSA-N -1 0 388.760 2.975 20 5 GFBDRM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)CC(C)C ZINC000795859954 658861852 /nfs/dbraw/zinc/86/18/52/658861852.db2.gz BXJSTHNCRWYGHF-SECBINFHSA-N -1 0 396.824 2.501 20 5 GFBDRM CCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCOCC1 ZINC000795867451 658864143 /nfs/dbraw/zinc/86/41/43/658864143.db2.gz MMGZNWIMWAIYMT-UHFFFAOYSA-N -1 0 380.825 2.872 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000795881284 658866600 /nfs/dbraw/zinc/86/66/00/658866600.db2.gz XHIKHSFMHJDJPS-WCQGTBRESA-N -1 0 378.809 2.623 20 5 GFBDRM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCO1 ZINC000795924787 658872970 /nfs/dbraw/zinc/87/29/70/658872970.db2.gz XBSXDSUCBSCWPJ-ZJUUUORDSA-N -1 0 380.825 2.871 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]Cc2cnn3ccccc23)c1 ZINC000796094353 658889923 /nfs/dbraw/zinc/88/99/23/658889923.db2.gz QHBVPUUIWMUWKH-UHFFFAOYSA-N -1 0 384.776 2.514 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cc3[nH]ccc3s2)cc([N+](=O)[O-])c1C ZINC000796607600 658926835 /nfs/dbraw/zinc/92/68/35/658926835.db2.gz AZPFQBKIIAXUOP-UHFFFAOYSA-N -1 0 379.419 2.873 20 5 GFBDRM CCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000796723414 658934755 /nfs/dbraw/zinc/93/47/55/658934755.db2.gz BGEYSFOFJJLTLW-CQSZACIVSA-N -1 0 377.850 2.852 20 5 GFBDRM CC(C)(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000797014098 658962769 /nfs/dbraw/zinc/96/27/69/658962769.db2.gz BEJKGLZNRBTVPR-UHFFFAOYSA-N -1 0 382.360 2.661 20 5 GFBDRM C[C@@H](C1CCCCC1)N(CC(=O)[O-])S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000797428691 659020539 /nfs/dbraw/zinc/02/05/39/659020539.db2.gz CIUOPLYHWOUPLW-JTQLQIEISA-N -1 0 376.456 2.700 20 5 GFBDRM CSc1c(F)cccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000797942012 659065883 /nfs/dbraw/zinc/06/58/83/659065883.db2.gz JMNVKSTXOXXIJS-UHFFFAOYSA-N -1 0 384.410 2.883 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]Cc2nccc(C(F)F)n2)c1 ZINC000805150845 659751814 /nfs/dbraw/zinc/75/18/14/659751814.db2.gz OUKBYPAFQMJJPD-UHFFFAOYSA-N -1 0 396.734 2.593 20 5 GFBDRM O=C([N-]S(=O)(=O)c1cc(Br)cs1)c1ccccc1[N+](=O)[O-] ZINC000806096498 659820973 /nfs/dbraw/zinc/82/09/73/659820973.db2.gz CORQEDXYKBBSCI-UHFFFAOYSA-N -1 0 391.224 2.538 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)c1 ZINC000808347977 659891238 /nfs/dbraw/zinc/89/12/38/659891238.db2.gz FLPWREXJLAXWMB-VIFPVBQESA-N -1 0 386.788 2.842 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC(F)(F)Br ZINC000808572673 659898985 /nfs/dbraw/zinc/89/89/85/659898985.db2.gz CNJNMHLDXBRLJK-UHFFFAOYSA-N -1 0 379.566 2.514 20 5 GFBDRM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccc(C)o1 ZINC000809824058 659943940 /nfs/dbraw/zinc/94/39/40/659943940.db2.gz JDLHEONAHMVKAB-NSHDSACASA-N -1 0 392.792 2.955 20 5 GFBDRM O=C(Cc1ccc(Cl)c(F)c1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000810538121 659977077 /nfs/dbraw/zinc/97/70/77/659977077.db2.gz VUAOSJRRRCYAKA-UHFFFAOYSA-N -1 0 390.751 2.574 20 5 GFBDRM O=C([O-])[C@@H]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000811674628 660014128 /nfs/dbraw/zinc/01/41/28/660014128.db2.gz HHRCLKCOILXLBU-GIPNMCIBSA-N -1 0 388.829 2.512 20 5 GFBDRM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccco1 ZINC000815021386 660102770 /nfs/dbraw/zinc/10/27/70/660102770.db2.gz FXZOBDVKPRDERW-JTQLQIEISA-N -1 0 378.765 2.646 20 5 GFBDRM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000815022327 660102907 /nfs/dbraw/zinc/10/29/07/660102907.db2.gz OHWWAWCJQOPBJR-NSHDSACASA-N -1 0 392.792 2.955 20 5 GFBDRM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815022634 660102994 /nfs/dbraw/zinc/10/29/94/660102994.db2.gz UVSLDSVDHXVPGM-ZDUSSCGKSA-N -1 0 388.804 2.708 20 5 GFBDRM COCC[C@H](C)S(=O)(=O)[N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841561908 661302107 /nfs/dbraw/zinc/30/21/07/661302107.db2.gz QRNYWOZLAPXJIN-UFBFGSQYSA-N -1 0 388.339 2.682 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCCS1 ZINC000842450994 661340104 /nfs/dbraw/zinc/34/01/04/661340104.db2.gz FYCKSMYEFLBWEE-JTQLQIEISA-N -1 0 398.384 2.704 20 5 GFBDRM CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000843296522 661376561 /nfs/dbraw/zinc/37/65/61/661376561.db2.gz AKVRJGWNWFADDD-KOLCDFICSA-N -1 0 376.818 2.573 20 5 GFBDRM C[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000843320172 661377776 /nfs/dbraw/zinc/37/77/76/661377776.db2.gz HEVGXTRJCFELGZ-PSASIEDQSA-N -1 0 386.202 2.932 20 5 GFBDRM CC(C)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-] ZINC000846769443 661565441 /nfs/dbraw/zinc/56/54/41/661565441.db2.gz LEBBYGSEEWUFEA-SSDOTTSWSA-N -1 0 385.225 2.537 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H](F)CC1CCCCC1 ZINC000850885522 661794978 /nfs/dbraw/zinc/79/49/78/661794978.db2.gz HACWMVBLWXSZLX-LBPRGKRZSA-N -1 0 376.381 2.847 20 5 GFBDRM O=C(Cc1csc2ccccc12)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000916755071 664470298 /nfs/dbraw/zinc/47/02/98/664470298.db2.gz SZOFQSSPEHNDCI-UHFFFAOYSA-N -1 0 376.415 2.857 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000916790776 664471295 /nfs/dbraw/zinc/47/12/95/664471295.db2.gz IUZZMZZVIGPADE-SSDOTTSWSA-N -1 0 387.628 2.555 20 5 GFBDRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000916827241 664472271 /nfs/dbraw/zinc/47/22/71/664472271.db2.gz MZBKFDYEPMFIHJ-UHFFFAOYSA-N -1 0 384.797 3.000 20 5 GFBDRM Cc1noc(C(C)C)c1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000920331937 664525347 /nfs/dbraw/zinc/52/53/47/664525347.db2.gz STGQHUCWPLFITL-UHFFFAOYSA-N -1 0 387.801 2.787 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC1(CCO)CCC1 ZINC000127313369 551339925 /nfs/dbraw/zinc/33/99/25/551339925.db2.gz GDUDYVQUTGBRSI-UHFFFAOYSA-N -1 0 383.253 2.733 20 5 GFBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c1C ZINC000163638561 551621481 /nfs/dbraw/zinc/62/14/81/551621481.db2.gz FBOOIWMCUSXICM-XMMPIXPASA-N -1 0 382.463 2.891 20 5 GFBDRM CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172182644 551672771 /nfs/dbraw/zinc/67/27/71/551672771.db2.gz AQCXWBWXWOOHAQ-UHFFFAOYSA-N -1 0 383.813 2.717 20 5 GFBDRM O=C(N[C@@H](CO)c1cccc(Br)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183597775 552314012 /nfs/dbraw/zinc/31/40/12/552314012.db2.gz YHTGGTACMBKFEW-LBPRGKRZSA-N -1 0 381.182 2.526 20 5 GFBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cc1 ZINC000194160883 553013559 /nfs/dbraw/zinc/01/35/59/553013559.db2.gz GTEUWRCLPINCRA-UHFFFAOYSA-N -1 0 376.312 2.814 20 5 GFBDRM CC[C@@H](C)[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000262522092 553171765 /nfs/dbraw/zinc/17/17/65/553171765.db2.gz MRUUMFNJADOZIY-KSBSHMNSSA-N -1 0 377.166 2.726 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)[nH]n2)c(Cl)c1 ZINC000280384526 563335006 /nfs/dbraw/zinc/33/50/06/563335006.db2.gz WEBRBNSAANCVNN-VIFPVBQESA-N -1 0 386.817 2.666 20 5 GFBDRM CCc1cc(C(=O)OC)c([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000424216915 563374435 /nfs/dbraw/zinc/37/44/35/563374435.db2.gz BWNJGECGEJBQTO-UHFFFAOYSA-N -1 0 384.435 2.947 20 5 GFBDRM C[C@@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000325418557 563453866 /nfs/dbraw/zinc/45/38/66/563453866.db2.gz HHJQQZVFUVYSLW-TZMCWYRMSA-N -1 0 376.818 2.560 20 5 GFBDRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000327233207 563457143 /nfs/dbraw/zinc/45/71/43/563457143.db2.gz OPKAEIZREDQTKG-NSHDSACASA-N -1 0 382.781 2.625 20 5 GFBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000327088880 563457146 /nfs/dbraw/zinc/45/71/46/563457146.db2.gz VCINVOYRGFUIJY-JTQLQIEISA-N -1 0 390.845 2.760 20 5 GFBDRM COC(=O)c1cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccc1Cl ZINC000327686278 563459545 /nfs/dbraw/zinc/45/95/45/563459545.db2.gz GWLODCZWMDXWLY-UHFFFAOYSA-N -1 0 388.760 2.975 20 5 GFBDRM C[C@]1(C(=O)[O-])CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000392006058 563526387 /nfs/dbraw/zinc/52/63/87/563526387.db2.gz MCUBOVHXGBELTB-JSGCOSHPSA-N -1 0 376.818 2.560 20 5 GFBDRM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(F)cc(F)c2F)c1 ZINC000431180962 563555843 /nfs/dbraw/zinc/55/58/43/563555843.db2.gz IQJFDNIMBIWVCA-UHFFFAOYSA-N -1 0 376.268 2.511 20 5 GFBDRM COc1ccc(Cl)c(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000432177488 563576399 /nfs/dbraw/zinc/57/63/99/563576399.db2.gz NGFMAILRQBTJOY-UHFFFAOYSA-N -1 0 386.769 2.756 20 5 GFBDRM CCn1ncc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1C(F)(F)F ZINC000410404084 563589693 /nfs/dbraw/zinc/58/96/93/563589693.db2.gz NDORVDXIBGUDDH-UHFFFAOYSA-N -1 0 382.295 2.770 20 5 GFBDRM CCn1ncc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C(F)(F)F ZINC000410406501 563589816 /nfs/dbraw/zinc/58/98/16/563589816.db2.gz VIOQMUPAWYHXAO-UHFFFAOYSA-N -1 0 378.332 2.939 20 5 GFBDRM Cn1nc([C@H]2CCCO2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000432960526 563598297 /nfs/dbraw/zinc/59/82/97/563598297.db2.gz NZRNQIIOBKYCEJ-GFCCVEGCSA-N -1 0 386.817 2.634 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cnn(C)c2C(F)(F)F)c1 ZINC000436154602 563665751 /nfs/dbraw/zinc/66/57/51/563665751.db2.gz NKWLTVBGPHJIGW-UHFFFAOYSA-N -1 0 378.332 2.765 20 5 GFBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(CCO)Cc1cccc(Br)c1 ZINC000436742841 563678585 /nfs/dbraw/zinc/67/85/85/563678585.db2.gz YMDVYKNMVPUPBF-UHFFFAOYSA-N -1 0 395.209 2.698 20 5 GFBDRM O=C(NCc1cn2cc(Br)ccc2n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436960867 563686811 /nfs/dbraw/zinc/68/68/11/563686811.db2.gz RVNRXNJQNCLCCK-UHFFFAOYSA-N -1 0 391.181 2.641 20 5 GFBDRM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(Br)c2[O-])n1 ZINC000436963094 563686860 /nfs/dbraw/zinc/68/68/60/563686860.db2.gz BLWUSUOKUBDPKC-UHFFFAOYSA-N -1 0 375.566 2.702 20 5 GFBDRM CCc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)sc1C(=O)OC ZINC000441387538 563759980 /nfs/dbraw/zinc/75/99/80/563759980.db2.gz QDQSWWITRFVJCT-UHFFFAOYSA-N -1 0 385.423 2.510 20 5 GFBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Br)nn2C)c1[N+](=O)[O-] ZINC000291954505 563766120 /nfs/dbraw/zinc/76/61/20/563766120.db2.gz FEMSTRJRBCLGOM-UHFFFAOYSA-N -1 0 389.231 2.508 20 5 GFBDRM CCCc1csc([N-]S(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)n1 ZINC000416414944 563825828 /nfs/dbraw/zinc/82/58/28/563825828.db2.gz GVQVSCYGDUQBHS-UHFFFAOYSA-N -1 0 385.423 2.591 20 5 GFBDRM Cc1sc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000293890944 563827688 /nfs/dbraw/zinc/82/76/88/563827688.db2.gz MVKXPFXWNNNKEA-VXNVDRBHSA-N -1 0 379.360 2.636 20 5 GFBDRM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000416596528 563851253 /nfs/dbraw/zinc/85/12/53/563851253.db2.gz FSNYCYVGOYURHV-VGMNWLOBSA-N -1 0 383.253 2.993 20 5 GFBDRM O=C(NCCOc1cccc(Br)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506102574 564195883 /nfs/dbraw/zinc/19/58/83/564195883.db2.gz MLJBVOMWJKNRDA-UHFFFAOYSA-N -1 0 381.182 2.872 20 5 GFBDRM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1scnc1C(C)C ZINC000451102173 564275145 /nfs/dbraw/zinc/27/51/45/564275145.db2.gz IGVGVNZVEQIMRA-UHFFFAOYSA-N -1 0 385.423 2.762 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nnc(CC(F)(F)F)s2)c1 ZINC000541783686 564289146 /nfs/dbraw/zinc/28/91/46/564289146.db2.gz MWXWCOFRPZRBFH-UHFFFAOYSA-N -1 0 396.372 2.969 20 5 GFBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000566179577 564314539 /nfs/dbraw/zinc/31/45/39/564314539.db2.gz RDHOCZUFLCSPBK-VIFPVBQESA-N -1 0 384.435 2.572 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]c2nn(C)cc2Br)c(C)cc1[N+](=O)[O-] ZINC000566229696 564318083 /nfs/dbraw/zinc/31/80/83/564318083.db2.gz XRMKFIBAQHVPIV-UHFFFAOYSA-N -1 0 389.231 2.508 20 5 GFBDRM CO[C@@H](C)c1nc(=NC(=O)c2ccc(Br)cc2[N+](=O)[O-])s[n-]1 ZINC000511084594 564356643 /nfs/dbraw/zinc/35/66/43/564356643.db2.gz DZABRSOJHWTNBR-LURJTMIESA-N -1 0 387.215 2.590 20 5 GFBDRM CO[C@@H](C)c1nc(=NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])s[n-]1 ZINC000511084110 564356732 /nfs/dbraw/zinc/35/67/32/564356732.db2.gz BJWJVSZDWAFIJO-JGVFFNPUSA-N -1 0 386.817 2.635 20 5 GFBDRM Cn1cc([C@@H]2CSCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000514675075 564453555 /nfs/dbraw/zinc/45/35/55/564453555.db2.gz JIUONUNURKYRTJ-ZDUSSCGKSA-N -1 0 382.829 2.618 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nnc(CC(F)(F)F)s2)cc1C ZINC000479997592 564456904 /nfs/dbraw/zinc/45/69/04/564456904.db2.gz WXWKYDMCARNMMI-UHFFFAOYSA-N -1 0 396.372 2.969 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCc2c[nH]nc21 ZINC000481074962 564502595 /nfs/dbraw/zinc/50/25/95/564502595.db2.gz PBFBKQAHBBZANP-SNVBAGLBSA-N -1 0 391.236 2.981 20 5 GFBDRM CCc1ccc([C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C(=O)[O-])cc1 ZINC000547875864 564515180 /nfs/dbraw/zinc/51/51/80/564515180.db2.gz SJQJGWZIFQYRRD-AWEZNQCLSA-N -1 0 384.435 2.631 20 5 GFBDRM Cc1sc(S(=O)(=O)NC[C@@]2(CC(=O)[O-])CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000547885260 564515816 /nfs/dbraw/zinc/51/58/16/564515816.db2.gz FJDMGQKIPHCSQY-XPTSAGLGSA-N -1 0 376.456 2.524 20 5 GFBDRM O=C([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000547887489 564516865 /nfs/dbraw/zinc/51/68/65/564516865.db2.gz TYSORSXOCWLZEP-UHFFFAOYSA-N -1 0 382.781 2.698 20 5 GFBDRM CN([C@H](C(=O)[O-])c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000548232977 564539843 /nfs/dbraw/zinc/53/98/43/564539843.db2.gz CYDCCSXKNOXMMD-AWEZNQCLSA-N -1 0 384.797 2.695 20 5 GFBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000518864358 564563563 /nfs/dbraw/zinc/56/35/63/564563563.db2.gz MDAMVZFLDRHVDO-CQSZACIVSA-N -1 0 384.797 2.661 20 5 GFBDRM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000519644635 564585574 /nfs/dbraw/zinc/58/55/74/564585574.db2.gz DOQFOUWIUBTVON-HNNXBMFYSA-N -1 0 394.225 2.721 20 5 GFBDRM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000484538839 564590110 /nfs/dbraw/zinc/59/01/10/564590110.db2.gz KQHVEDCHXCSBLQ-UHFFFAOYSA-N -1 0 386.769 2.756 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-n2ccnn2)c1 ZINC000486507260 564655030 /nfs/dbraw/zinc/65/50/30/564655030.db2.gz KYCXICSOAOREIY-UHFFFAOYSA-N -1 0 379.785 2.630 20 5 GFBDRM O=C([O-])c1c(NS(=O)(=O)CCc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000551996067 564671385 /nfs/dbraw/zinc/67/13/85/564671385.db2.gz IZFSPXHWGVLSMI-UHFFFAOYSA-N -1 0 384.797 2.931 20 5 GFBDRM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000552127944 564678342 /nfs/dbraw/zinc/67/83/42/564678342.db2.gz JSAMLDLRWUYJRA-UHFFFAOYSA-N -1 0 377.756 2.714 20 5 GFBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c([N+](=O)[O-])c1 ZINC000524852023 564689113 /nfs/dbraw/zinc/68/91/13/564689113.db2.gz HGCTYRBTBZXAEL-UHFFFAOYSA-N -1 0 386.769 2.541 20 5 GFBDRM O=C(N=c1nc2cc(Cl)ccn2[n-]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000554995077 564781043 /nfs/dbraw/zinc/78/10/43/564781043.db2.gz UUXLNBVRXSTABL-UHFFFAOYSA-N -1 0 381.179 2.688 20 5 GFBDRM CCC[C@H](CCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000555954953 564809606 /nfs/dbraw/zinc/80/96/06/564809606.db2.gz IQYUAVVMCVJAJB-LLVKDONJSA-N -1 0 378.472 2.914 20 5 GFBDRM CCN1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462173595 564825399 /nfs/dbraw/zinc/82/53/99/564825399.db2.gz CZNHWHOVFMBGHQ-SNVBAGLBSA-N -1 0 382.269 2.664 20 5 GFBDRM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCC(F)(F)F ZINC000462682715 564854462 /nfs/dbraw/zinc/85/44/62/564854462.db2.gz SOTOUWGHMZDGFI-UHFFFAOYSA-N -1 0 377.138 2.588 20 5 GFBDRM CCc1ccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000582420542 564846737 /nfs/dbraw/zinc/84/67/37/564846737.db2.gz VMLXECLJQPSNGJ-UHFFFAOYSA-N -1 0 378.332 2.717 20 5 GFBDRM CCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000462679581 564854197 /nfs/dbraw/zinc/85/41/97/564854197.db2.gz OYSKKFMFWQMUCC-NSHDSACASA-N -1 0 376.406 2.523 20 5 GFBDRM CCn1cc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c([N+](=O)[O-])n1 ZINC000534499426 564990226 /nfs/dbraw/zinc/99/02/26/564990226.db2.gz WQEXCRXNHHTQGJ-UHFFFAOYSA-N -1 0 393.194 2.514 20 5 GFBDRM CCn1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c([N+](=O)[O-])n1 ZINC000535780420 565021200 /nfs/dbraw/zinc/02/12/00/565021200.db2.gz NUOSHODLQUAGJV-UHFFFAOYSA-N -1 0 379.423 2.736 20 5 GFBDRM COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ncc1Br ZINC000536497255 565038183 /nfs/dbraw/zinc/03/81/83/565038183.db2.gz LUDIEUMCXMXAHV-UHFFFAOYSA-N -1 0 394.228 2.623 20 5 GFBDRM COC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000590760612 565201487 /nfs/dbraw/zinc/20/14/87/565201487.db2.gz FTMOSYWOBHKOQC-SCZZXKLOSA-N -1 0 397.236 2.522 20 5 GFBDRM CCS[C@H]1CCCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000593307179 565325376 /nfs/dbraw/zinc/32/53/76/565325376.db2.gz KWMYFEVNCPESDD-LBPRGKRZSA-N -1 0 388.467 2.589 20 5 GFBDRM O=C([O-])c1ccc(S(=O)(=O)N(Cc2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000593311336 565325678 /nfs/dbraw/zinc/32/56/78/565325678.db2.gz YRLSDEWSFGDURL-UHFFFAOYSA-N -1 0 382.419 2.708 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](C)[C@@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000594671909 565405674 /nfs/dbraw/zinc/40/56/74/565405674.db2.gz FEZUXOIIGGNCPK-ONGXEEELSA-N -1 0 390.845 2.678 20 5 GFBDRM COC(=O)c1sc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)nc1C 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CC[C@@](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)(C(=O)[O-])c1ccccc1 ZINC000485344059 600128132 /nfs/dbraw/zinc/12/81/32/600128132.db2.gz FDHXSQWBZCJBLQ-FQEVSTJZSA-N -1 0 394.387 2.900 20 5 GFBDRM CC[C@](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000736915800 600129362 /nfs/dbraw/zinc/12/93/62/600129362.db2.gz BROFFMFHAPTXOU-LJQANCHMSA-N -1 0 388.376 2.732 20 5 GFBDRM Cc1c(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nnn1-c1ccc(C)cc1 ZINC000738499111 600189192 /nfs/dbraw/zinc/18/91/92/600189192.db2.gz CCURUFHGACZDPX-UHFFFAOYSA-N -1 0 395.375 2.672 20 5 GFBDRM O=C([O-])c1cc(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)cc([N+](=O)[O-])c1 ZINC000740089495 600189511 /nfs/dbraw/zinc/18/95/11/600189511.db2.gz AEYICXRFRDDAIX-UHFFFAOYSA-N -1 0 399.388 2.956 20 5 GFBDRM O=C([O-])c1cc(NC(=O)CCc2nc(-c3cccs3)no2)cc([N+](=O)[O-])c1 ZINC000739269988 600191326 /nfs/dbraw/zinc/19/13/26/600191326.db2.gz MEISJTDNPSCJNQ-UHFFFAOYSA-N -1 0 388.361 2.976 20 5 GFBDRM 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GFBDRM COc1ccccc1[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)NC(=O)[O-] ZINC000739962059 603169476 /nfs/dbraw/zinc/16/94/76/603169476.db2.gz IIHWHFKPDVDMBA-AWEZNQCLSA-N -1 0 393.783 2.996 20 5 GFBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CCCNC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000739084684 603188137 /nfs/dbraw/zinc/18/81/37/603188137.db2.gz ZSLMLYGTUQJBDO-KBPBESRZSA-N -1 0 392.456 2.807 20 5 GFBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@](C)(CNC(=O)[O-])C(C)C)cc1SC ZINC000739873466 603290757 /nfs/dbraw/zinc/29/07/57/603290757.db2.gz XKAYNFGRQFPVHF-MRXNPFEDSA-N -1 0 385.442 2.737 20 5 GFBDRM CCN(CC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1)C(=O)[O-] ZINC000827089087 603542495 /nfs/dbraw/zinc/54/24/95/603542495.db2.gz FNGWDBGWDZXGKH-AWEZNQCLSA-N -1 0 392.456 2.942 20 5 GFBDRM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)CC1 ZINC000825956380 603550841 /nfs/dbraw/zinc/55/08/41/603550841.db2.gz SYKGLZFIPPIBCO-OAHLLOKOSA-N -1 0 390.440 2.655 20 5 GFBDRM 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O=C([O-])c1ccc(CCC(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000739260245 600116974 /nfs/dbraw/zinc/11/69/74/600116974.db2.gz NVWSHNXPGWQHJV-UHFFFAOYSA-N -1 0 381.348 2.649 20 5 GFBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(F)c(NC(=O)[O-])c1 ZINC000737906158 600128206 /nfs/dbraw/zinc/12/82/06/600128206.db2.gz XDTFQHFLWDWRTJ-UHFFFAOYSA-N -1 0 378.316 2.883 20 5 GFBDRM CC[C@@](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)(C(=O)[O-])c1ccccc1 ZINC000736915941 600129951 /nfs/dbraw/zinc/12/99/51/600129951.db2.gz GGVKYPSJGNFTJW-IBGZPJMESA-N -1 0 387.392 2.522 20 5 GFBDRM CC[C@](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000736926062 600135911 /nfs/dbraw/zinc/13/59/11/600135911.db2.gz XUKALPPESZIPII-MRXNPFEDSA-N -1 0 398.824 2.917 20 5 GFBDRM Cn1c(=O)c2cc3ccccc3cc2nc1SCc1noc(CCC(=O)[O-])n1 ZINC000739013754 600185349 /nfs/dbraw/zinc/18/53/49/600185349.db2.gz JHFFVKNYEYLQAB-UHFFFAOYSA-N -1 0 396.428 2.779 20 5 GFBDRM CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C ZINC000737148029 600187881 /nfs/dbraw/zinc/18/78/81/600187881.db2.gz HGUQTNFTOWYFQE-UHFFFAOYSA-N -1 0 375.337 2.667 20 5 GFBDRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736385188 600190875 /nfs/dbraw/zinc/19/08/75/600190875.db2.gz NENKQMYAXSCZDI-ZDUSSCGKSA-N -1 0 381.385 2.781 20 5 GFBDRM COc1cc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000485341006 600205161 /nfs/dbraw/zinc/20/51/61/600205161.db2.gz LMSWFXOIKOBBGI-UHFFFAOYSA-N -1 0 394.330 2.999 20 5 GFBDRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc21 ZINC000739622901 600239225 /nfs/dbraw/zinc/23/92/25/600239225.db2.gz UVFCAWMYFDVHOK-LLVKDONJSA-N -1 0 382.781 2.625 20 5 GFBDRM C[C@@H](NC(=O)c1ccc(NC[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657125 600239613 /nfs/dbraw/zinc/23/96/13/600239613.db2.gz PAPFAKMHDBVUEV-DOMZBBRYSA-N -1 0 383.404 2.940 20 5 GFBDRM Cc1cc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)ccc1[N+](=O)[O-] ZINC000556352739 600253339 /nfs/dbraw/zinc/25/33/39/600253339.db2.gz ZJQUGGYLWMFMJM-UHFFFAOYSA-N -1 0 376.390 2.743 20 5 GFBDRM Cc1ccc(S(=O)(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000738654458 600301517 /nfs/dbraw/zinc/30/15/17/600301517.db2.gz ADPODRSYYBPJDA-UHFFFAOYSA-N -1 0 379.394 2.814 20 5 GFBDRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262332321 600304194 /nfs/dbraw/zinc/30/41/94/600304194.db2.gz FCFMMDRFNQDUEI-GTTSAUCSSA-N -1 0 385.376 2.707 20 5 GFBDRM O=C([O-])[C@@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 ZINC000739358055 600325989 /nfs/dbraw/zinc/32/59/89/600325989.db2.gz HEGRHDBRISHWAV-INIZCTEOSA-N -1 0 389.751 2.967 20 5 GFBDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000738346027 600399643 /nfs/dbraw/zinc/39/96/43/600399643.db2.gz SAEOTYVPJVVORQ-UHFFFAOYSA-N -1 0 376.390 2.743 20 5 GFBDRM COc1ccccc1[C@@H](C)N(C)C(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738118440 600444994 /nfs/dbraw/zinc/44/49/94/600444994.db2.gz BEAAEGCHVJKXAH-GFCCVEGCSA-N -1 0 388.376 2.900 20 5 GFBDRM CCOC(=O)c1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000737148165 600447272 /nfs/dbraw/zinc/44/72/72/600447272.db2.gz KNQVMRAEJCVCOH-HNNXBMFYSA-N -1 0 391.307 2.893 20 5 GFBDRM COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738120649 600462802 /nfs/dbraw/zinc/46/28/02/600462802.db2.gz NIDUQWGVCNRYKE-RYUDHWBXSA-N -1 0 388.376 2.946 20 5 GFBDRM Cc1cccc(N(CC(=O)[O-])C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000738721000 600526002 /nfs/dbraw/zinc/52/60/02/600526002.db2.gz HDHVLMMDTBGPRM-GFCCVEGCSA-N -1 0 375.406 2.897 20 5 GFBDRM COC[C@@H]1CCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737752172 600560377 /nfs/dbraw/zinc/56/03/77/600560377.db2.gz URQAMUUAVKAJHD-CYBMUJFWSA-N -1 0 384.388 2.997 20 5 GFBDRM CSc1ccc(C(=O)NCc2cccc(OCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000538473198 600575125 /nfs/dbraw/zinc/57/51/25/600575125.db2.gz LTYIKSHAKRPNPO-UHFFFAOYSA-N -1 0 376.390 2.710 20 5 GFBDRM CCc1ccc(OS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000737268211 600584960 /nfs/dbraw/zinc/58/49/60/600584960.db2.gz WFBHOZVSFPTBQP-UHFFFAOYSA-N -1 0 381.362 2.632 20 5 GFBDRM C[C@@](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])(C(=O)[O-])C1CC1 ZINC000237714346 600615259 /nfs/dbraw/zinc/61/52/59/600615259.db2.gz QJPIKVOUZSHSOK-HNNXBMFYSA-N -1 0 389.330 2.785 20 5 GFBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000262414232 600622726 /nfs/dbraw/zinc/62/27/26/600622726.db2.gz ORNQQEBVESQLPU-QGZVFWFLSA-N -1 0 397.387 2.561 20 5 GFBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832905157 600655844 /nfs/dbraw/zinc/65/58/44/600655844.db2.gz FMZDVTUWGWWQBI-CYBMUJFWSA-N -1 0 390.373 2.625 20 5 GFBDRM CO[C@@H](CNc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000831520156 600810990 /nfs/dbraw/zinc/81/09/90/600810990.db2.gz WFHCNJMKTRKJGA-PXAZEXFGSA-N -1 0 387.392 2.597 20 5 GFBDRM CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)cc1[N+](=O)[O-] ZINC000486045418 600877204 /nfs/dbraw/zinc/87/72/04/600877204.db2.gz ABASNNFJHYFTNT-UHFFFAOYSA-N -1 0 390.348 2.961 20 5 GFBDRM O=C([O-])C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC000363257683 600893610 /nfs/dbraw/zinc/89/36/10/600893610.db2.gz AFPQYKXIOVMELG-SNVBAGLBSA-N -1 0 380.353 2.501 20 5 GFBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000363647301 600896581 /nfs/dbraw/zinc/89/65/81/600896581.db2.gz UKILUOBIHKNDBI-GFCCVEGCSA-N -1 0 376.390 2.670 20 5 GFBDRM COC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)ccc1C(=O)[O-] ZINC000831275758 600949855 /nfs/dbraw/zinc/94/98/55/600949855.db2.gz BAGQKCKWYOVLLT-UHFFFAOYSA-N -1 0 392.751 2.914 20 5 GFBDRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000833232700 600974086 /nfs/dbraw/zinc/97/40/86/600974086.db2.gz HJYPVMMVXNUFEQ-NSHDSACASA-N -1 0 390.314 2.710 20 5 GFBDRM O=C([O-])c1cnc(N(C(=O)CCNc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000740254606 601040871 /nfs/dbraw/zinc/04/08/71/601040871.db2.gz PCPZDWWAKCAESY-UHFFFAOYSA-N -1 0 376.394 2.747 20 5 GFBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000583600049 601128745 /nfs/dbraw/zinc/12/87/45/601128745.db2.gz ZHFCTLZLHWGQTP-MLGOLLRUSA-N -1 0 378.406 2.644 20 5 GFBDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000826031821 601163849 /nfs/dbraw/zinc/16/38/49/601163849.db2.gz UREDAAKUNMXIGB-APPDUMDISA-N -1 0 376.340 2.691 20 5 GFBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000833114168 601179857 /nfs/dbraw/zinc/17/98/57/601179857.db2.gz UVXMTVRKOSVEBI-UWVGGRQHSA-N -1 0 384.772 2.621 20 5 GFBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000833113719 601190855 /nfs/dbraw/zinc/19/08/55/601190855.db2.gz RKMGSTIHWIZILC-NXEZZACHSA-N -1 0 384.772 2.621 20 5 GFBDRM CCS[C@@H]1CCC[C@@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830158151 601209045 /nfs/dbraw/zinc/20/90/45/601209045.db2.gz RMZFYVJAEHUTIC-CHWSQXEVSA-N -1 0 381.454 2.885 20 5 GFBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccc(-n2cccn2)cc1 ZINC000833306800 601248858 /nfs/dbraw/zinc/24/88/58/601248858.db2.gz IAWKJADWHDVDRZ-UHFFFAOYSA-N -1 0 383.320 2.999 20 5 GFBDRM CC(C)[C@@H](CNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])c1cccnc1 ZINC000826686781 601254658 /nfs/dbraw/zinc/25/46/58/601254658.db2.gz CITWGRMYNWENAL-OAHLLOKOSA-N -1 0 386.408 2.656 20 5 GFBDRM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000828515419 601264063 /nfs/dbraw/zinc/26/40/63/601264063.db2.gz CCXQDLRPTSLWDK-BMIGLBTASA-N -1 0 387.417 2.911 20 5 GFBDRM CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000828988863 601269751 /nfs/dbraw/zinc/26/97/51/601269751.db2.gz IBQDMMCMXVDDDZ-CQSZACIVSA-N -1 0 394.405 2.731 20 5 GFBDRM CC[C@H](NC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000828906645 601372154 /nfs/dbraw/zinc/37/21/54/601372154.db2.gz JAHJXBYVVJFDFB-KRWDZBQOSA-N -1 0 399.403 2.818 20 5 GFBDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000237632298 601393144 /nfs/dbraw/zinc/39/31/44/601393144.db2.gz RKGOMVOTFPHYDL-UGSOOPFHSA-N -1 0 394.387 2.972 20 5 GFBDRM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1[N+](=O)[O-] ZINC000832902916 601399424 /nfs/dbraw/zinc/39/94/24/601399424.db2.gz PLTGKMCNGVILMK-LBPRGKRZSA-N -1 0 378.406 2.949 20 5 GFBDRM Cc1cc(S(=O)(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1C(=O)[O-] ZINC000832903217 601405968 /nfs/dbraw/zinc/40/59/68/601405968.db2.gz SCPNTFLNRQHQQT-UHFFFAOYSA-N -1 0 378.406 2.815 20 5 GFBDRM C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(C(=O)[O-])o1 ZINC000827843024 601459983 /nfs/dbraw/zinc/45/99/83/601459983.db2.gz AQXQYTRPMCLGCS-LLVKDONJSA-N -1 0 390.348 2.641 20 5 GFBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000748642279 601474853 /nfs/dbraw/zinc/47/48/53/601474853.db2.gz BSHBNDWAAMDKIN-ZDUSSCGKSA-N -1 0 390.417 2.979 20 5 GFBDRM CN(C(=O)CN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000830478970 601541620 /nfs/dbraw/zinc/54/16/20/601541620.db2.gz YILVWLUVHCLEAT-CRAIPNDOSA-N -1 0 389.452 2.913 20 5 GFBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@H]1C(=O)[O-] ZINC000828392642 601696018 /nfs/dbraw/zinc/69/60/18/601696018.db2.gz AXOJUBQNOXIHII-SUMWQHHRSA-N -1 0 383.404 3.000 20 5 GFBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C[C@@H]1C(=O)[O-] ZINC000828303364 601697199 /nfs/dbraw/zinc/69/71/99/601697199.db2.gz POXGFUOYMSFNSR-CJNGLKHVSA-N -1 0 375.425 2.624 20 5 GFBDRM C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000262907799 601761818 /nfs/dbraw/zinc/76/18/18/601761818.db2.gz FKAQXPJGFRZSFI-CZUORRHYSA-N -1 0 383.404 3.000 20 5 GFBDRM 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O=C([O-])NC1CCC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000834164875 605659674 /nfs/dbraw/zinc/65/96/74/605659674.db2.gz QMWIPEGQQBHQNI-UHFFFAOYSA-N -1 0 376.413 2.848 20 5 GFBDRM O=C([O-])N1CCSC[C@@H]1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000832069831 605682267 /nfs/dbraw/zinc/68/22/67/605682267.db2.gz QSZSECIHZWYSQH-HNNXBMFYSA-N -1 0 379.438 2.571 20 5 GFBDRM O=C([O-])N1CCC(OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000834012055 605729797 /nfs/dbraw/zinc/72/97/97/605729797.db2.gz FSYMZUUHEYVZLI-UHFFFAOYSA-N -1 0 380.400 2.840 20 5 GFBDRM O=C([O-])N1CCc2ccc(OS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000834122667 605815009 /nfs/dbraw/zinc/81/50/09/605815009.db2.gz JMXCBTPMPFTDTG-UHFFFAOYSA-N -1 0 392.389 2.540 20 5 GFBDRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000825830710 605862547 /nfs/dbraw/zinc/86/25/47/605862547.db2.gz HPGQIWMCNAZBIH-RKDXNWHRSA-N -1 0 386.202 2.618 20 5 GFBDRM O=C([O-])N1CCC[C@@H](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 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ZINC000739382058 655693304 /nfs/dbraw/zinc/69/33/04/655693304.db2.gz ISEQJFUFAZAYRR-UHFFFAOYSA-N -1 0 385.785 2.621 20 5 GFBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccccn3)c2)ccc1Cl ZINC000739675472 655694264 /nfs/dbraw/zinc/69/42/64/655694264.db2.gz ZWNOQCGHOCLWLX-UHFFFAOYSA-N -1 0 379.785 2.630 20 5 GFBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000744131437 655735612 /nfs/dbraw/zinc/73/56/12/655735612.db2.gz FODQUHTYACUKAS-GXSJLCMTSA-N -1 0 388.373 2.543 20 5 GFBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751261821 655824130 /nfs/dbraw/zinc/82/41/30/655824130.db2.gz YNJQXLQRYTZTRT-UHFFFAOYSA-N -1 0 387.757 2.966 20 5 GFBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H](O)c1c(F)cccc1Cl ZINC000751444702 655827895 /nfs/dbraw/zinc/82/78/95/655827895.db2.gz GBCDAXZJURYLIF-GFCCVEGCSA-N -1 0 392.767 2.538 20 5 GFBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000753068882 655849977 /nfs/dbraw/zinc/84/99/77/655849977.db2.gz PSZSEWITGRZIOS-UHFFFAOYSA-N -1 0 384.801 2.848 20 5 GFBDRM O=C(Cc1ccc(F)cc1F)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000756249098 655897587 /nfs/dbraw/zinc/89/75/87/655897587.db2.gz AVGZKCFIETZWKC-UHFFFAOYSA-N -1 0 390.751 2.574 20 5 GFBDRM O=[N+]([O-])c1ccc(Cl)c(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000757349102 655910858 /nfs/dbraw/zinc/91/08/58/655910858.db2.gz RKBDXHFSKZMVTC-UHFFFAOYSA-N -1 0 389.748 2.774 20 5 GFBDRM COc1ccccc1CS(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000760359606 655977146 /nfs/dbraw/zinc/97/71/46/655977146.db2.gz WDHARZMDORUEOM-UHFFFAOYSA-N -1 0 384.797 2.517 20 5 GFBDRM COC(=O)Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000763300595 656078696 /nfs/dbraw/zinc/07/86/96/656078696.db2.gz SFAMTDFYTTYYAC-UHFFFAOYSA-N -1 0 384.797 2.765 20 5 GFBDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000765911988 656154586 /nfs/dbraw/zinc/15/45/86/656154586.db2.gz XFBXWKWHSWFJGW-UHFFFAOYSA-N 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Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCCC[C@H]2C(=O)[O-])c1 ZINC000776693787 656783754 /nfs/dbraw/zinc/78/37/54/656783754.db2.gz SDBIDOJXKHPLOF-JTQLQIEISA-N -1 0 376.818 2.575 20 5 GFBDRM CSc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000777286049 656816925 /nfs/dbraw/zinc/81/69/25/656816925.db2.gz JZZSWIURMLLBJA-UHFFFAOYSA-N -1 0 388.373 2.714 20 5 GFBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000779209932 656906733 /nfs/dbraw/zinc/90/67/33/656906733.db2.gz OQEZNPAVDLYBPR-UHFFFAOYSA-N -1 0 380.369 2.692 20 5 GFBDRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000779436930 656926267 /nfs/dbraw/zinc/92/62/67/656926267.db2.gz MUGJWMHIEFDQIQ-SECBINFHSA-N -1 0 389.177 2.966 20 5 GFBDRM O=C(/C=C\SCc1ccco1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000779454518 656927343 /nfs/dbraw/zinc/92/73/43/656927343.db2.gz ZQFCPDMDLUCXCQ-VURMDHGXSA-N -1 0 386.382 2.579 20 5 GFBDRM COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000780404524 657003833 /nfs/dbraw/zinc/00/38/33/657003833.db2.gz GNTVATPNPBYYPV-UHFFFAOYSA-N -1 0 388.398 3.000 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c1 ZINC000783806221 657262267 /nfs/dbraw/zinc/26/22/67/657262267.db2.gz KJLZUEYSPRZELB-UHFFFAOYSA-N -1 0 387.757 2.971 20 5 GFBDRM CC(=O)Nc1ncccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000786187538 657412982 /nfs/dbraw/zinc/41/29/82/657412982.db2.gz VSLACGZLSPVMSY-UHFFFAOYSA-N -1 0 384.801 2.711 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000786259280 657416371 /nfs/dbraw/zinc/41/63/71/657416371.db2.gz RIBKMCVFFFAMJU-RKDXNWHRSA-N -1 0 386.838 2.918 20 5 GFBDRM CC1(C)CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000789433200 657852822 /nfs/dbraw/zinc/85/28/22/657852822.db2.gz LAMCYNIKYBVXTA-SECBINFHSA-N -1 0 389.861 2.852 20 5 GFBDRM Cc1csc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1Cl ZINC000791831105 658189622 /nfs/dbraw/zinc/18/96/22/658189622.db2.gz JLBWAMMQUGPLIE-UHFFFAOYSA-N -1 0 378.790 2.876 20 5 GFBDRM CN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)c2cc(Br)cnc21 ZINC000794878700 658630844 /nfs/dbraw/zinc/63/08/44/658630844.db2.gz PKJCTSAEUGAAHX-NYYWCZLTSA-N -1 0 376.166 2.975 20 5 GFBDRM COC(=O)CCCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795777792 658849477 /nfs/dbraw/zinc/84/94/77/658849477.db2.gz QOQXITGJCVUBPU-UHFFFAOYSA-N -1 0 396.824 2.789 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@H](O)c2cccc(F)c2)c1 ZINC000795857116 658861262 /nfs/dbraw/zinc/86/12/62/658861262.db2.gz UQJWPRIXIWUGNJ-LBPRGKRZSA-N -1 0 392.767 2.538 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]CCc2ccc(Cl)nc2)c1 ZINC000795879574 658866627 /nfs/dbraw/zinc/86/66/27/658866627.db2.gz HNSGKDYIXBWGPF-UHFFFAOYSA-N -1 0 394.211 2.957 20 5 GFBDRM COc1c(C(=O)[N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000796740716 658936232 /nfs/dbraw/zinc/93/62/32/658936232.db2.gz CNBXAEOHGAXSDY-UHFFFAOYSA-N -1 0 384.797 2.684 20 5 GFBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)c2sccc2Cl)cc1[N+](=O)[O-] ZINC000797070528 658974547 /nfs/dbraw/zinc/97/45/47/658974547.db2.gz LWHLFOYBDDIEOR-UHFFFAOYSA-N -1 0 396.233 2.664 20 5 GFBDRM COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798247361 659088892 /nfs/dbraw/zinc/08/88/92/659088892.db2.gz UPPZMRKPFVILHS-UHFFFAOYSA-N -1 0 388.760 2.975 20 5 GFBDRM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)Cc2ccccc2C)c1 ZINC000798898377 659156163 /nfs/dbraw/zinc/15/61/63/659156163.db2.gz JVNAXPQZZSNCPB-UHFFFAOYSA-N -1 0 380.447 2.885 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@@]2(C)C(=O)[O-])c1 ZINC000799745215 659220999 /nfs/dbraw/zinc/22/09/99/659220999.db2.gz KZIAKSKKQVXSGG-AWEZNQCLSA-N -1 0 376.818 2.575 20 5 GFBDRM O=C(NC[C@@H](O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000802318794 659478715 /nfs/dbraw/zinc/47/87/15/659478715.db2.gz RMTJLKKBVYVURT-CQSZACIVSA-N -1 0 381.182 2.526 20 5 GFBDRM O=C([O-])[C@@H]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000811674626 660014129 /nfs/dbraw/zinc/01/41/29/660014129.db2.gz HHRCLKCOILXLBU-BREBYQMCSA-N -1 0 388.829 2.512 20 5 GFBDRM CC(C)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1(CO)CCC1 ZINC000813721264 660062160 /nfs/dbraw/zinc/06/21/60/660062160.db2.gz QNUQLOWITBJZHA-CQSZACIVSA-N -1 0 394.852 2.853 20 5 GFBDRM CCn1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1C ZINC000815010700 660101018 /nfs/dbraw/zinc/10/10/18/660101018.db2.gz NNKBHARUZCFHMD-UHFFFAOYSA-N -1 0 390.824 2.699 20 5 GFBDRM COc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000815985561 660138902 /nfs/dbraw/zinc/13/89/02/660138902.db2.gz RQZSDIKKVXEGIV-UHFFFAOYSA-N -1 0 388.760 2.515 20 5 GFBDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000815986233 660138913 /nfs/dbraw/zinc/13/89/13/660138913.db2.gz OSHRHAWQLSTMRA-UHFFFAOYSA-N -1 0 388.760 2.515 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC12CCC2 ZINC000842451078 661340057 /nfs/dbraw/zinc/34/00/57/661340057.db2.gz HKVCBAJFMQCUTH-SECBINFHSA-N -1 0 378.328 2.609 20 5 GFBDRM CC[C@H](Nc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-])C(=O)[O-] ZINC000843036922 661365143 /nfs/dbraw/zinc/36/51/43/661365143.db2.gz RCMYYPJVWBCYQY-YFKPBYRVSA-N -1 0 378.135 2.549 20 5 GFBDRM CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000843298352 661376706 /nfs/dbraw/zinc/37/67/06/661376706.db2.gz NUGFCMSSAUTOGK-KOLCDFICSA-N -1 0 376.818 2.573 20 5 GFBDRM O=C([O-])c1cc(S(=O)(=O)NCCC[C@@H]2CC2(Cl)Cl)ccc1[N+](=O)[O-] ZINC000844902437 661448756 /nfs/dbraw/zinc/44/87/56/661448756.db2.gz QXCWTKDMXNWBKJ-MRVPVSSYSA-N -1 0 397.236 2.545 20 5 GFBDRM CSCC1(CC(=O)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000845437521 661470612 /nfs/dbraw/zinc/47/06/12/661470612.db2.gz XFESMSVILXHGHO-UHFFFAOYSA-N -1 0 392.886 2.895 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)c1 ZINC000845978005 661516288 /nfs/dbraw/zinc/51/62/88/661516288.db2.gz ICTJSWBIVBRHQX-OAHLLOKOSA-N -1 0 392.836 2.871 20 5 GFBDRM O=C([O-])[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)CC1CC1 ZINC000846127859 661533671 /nfs/dbraw/zinc/53/36/71/661533671.db2.gz MPWCRQRGDJNNFZ-QMMMGPOBSA-N -1 0 389.177 2.727 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000850736667 661789695 /nfs/dbraw/zinc/78/96/95/661789695.db2.gz KPFNGPNRDKKBJJ-YMTOWFKASA-N -1 0 390.845 2.567 20 5 GFBDRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000851624737 661826748 /nfs/dbraw/zinc/82/67/48/661826748.db2.gz HFMNKJMIOBDLMO-IINYFYTJSA-N -1 0 389.177 2.870 20 5 GFBDRM O=C([O-])[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CCC1 ZINC000853025402 661879032 /nfs/dbraw/zinc/87/90/32/661879032.db2.gz ZYQOTRTTXNUMAG-MRVPVSSYSA-N -1 0 397.236 2.681 20 5 GFBDRM O=C(CC1CCC(F)(F)CC1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000860485076 662202460 /nfs/dbraw/zinc/20/24/60/662202460.db2.gz ZDEOYPBVLDUHOP-UHFFFAOYSA-N -1 0 380.344 2.754 20 5 GFBDRM O=C([O-])[C@@H]1CSCCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901888138 663749477 /nfs/dbraw/zinc/74/94/77/663749477.db2.gz RLFWRVMREJVSIJ-ZETCQYMHSA-N -1 0 381.273 2.668 20 5 GFBDRM COc1cc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1C ZINC000920333397 664525246 /nfs/dbraw/zinc/52/52/46/664525246.db2.gz AJOCWVHWFKNGKZ-UHFFFAOYSA-N -1 0 384.797 2.684 20 5 GFBDRM CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000057500451 551180961 /nfs/dbraw/zinc/18/09/61/551180961.db2.gz QAMLOVBOMMQXJZ-UHFFFAOYSA-N -1 0 383.813 2.717 20 5 GFBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)c1C ZINC000118301301 551214733 /nfs/dbraw/zinc/21/47/33/551214733.db2.gz MIZSCJWENDIDFT-UHFFFAOYSA-N -1 0 378.332 2.771 20 5 GFBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000121565321 551237347 /nfs/dbraw/zinc/23/73/47/551237347.db2.gz BQADRSJJFPHBLH-UHFFFAOYSA-N -1 0 385.320 2.688 20 5 GFBDRM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000145724649 551396739 /nfs/dbraw/zinc/39/67/39/551396739.db2.gz XMOULYFUPCQCLX-UHFFFAOYSA-N -1 0 383.813 2.717 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(Br)nn2C)cc1C ZINC000291925973 563764591 /nfs/dbraw/zinc/76/45/91/563764591.db2.gz BOXFVBCYJXICQQ-UHFFFAOYSA-N -1 0 389.231 2.508 20 5 GFBDRM Cc1cc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000174608379 552106706 /nfs/dbraw/zinc/10/67/06/552106706.db2.gz PMLXYXLURUFHDC-UHFFFAOYSA-N -1 0 389.231 2.508 20 5 GFBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174921331 552112702 /nfs/dbraw/zinc/11/27/02/552112702.db2.gz UKVPNGHZUSJWDX-UHFFFAOYSA-N -1 0 389.593 2.860 20 5 GFBDRM Cc1cc(S(=O)(=O)[N-]c2nc(-c3cccs3)nn2C)ccc1[N+](=O)[O-] ZINC000193725160 553001541 /nfs/dbraw/zinc/00/15/41/553001541.db2.gz PVQCBDJIGGDHLH-UHFFFAOYSA-N -1 0 379.423 2.561 20 5 GFBDRM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000476637832 564349548 /nfs/dbraw/zinc/34/95/48/564349548.db2.gz VOPNZQPISSLVAA-LURJTMIESA-N -1 0 391.165 2.834 20 5 GFBDRM CCc1nnc(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)s1 ZINC000296906475 563307687 /nfs/dbraw/zinc/30/76/87/563307687.db2.gz DZMHRONULSJKSY-UHFFFAOYSA-N -1 0 397.265 2.794 20 5 GFBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1c1cccs1 ZINC000328183602 563460638 /nfs/dbraw/zinc/46/06/38/563460638.db2.gz XCLGPAQIENVQGH-LBPRGKRZSA-N -1 0 382.419 2.880 20 5 GFBDRM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285118940 563503888 /nfs/dbraw/zinc/50/38/88/563503888.db2.gz IKIBWHXFVXLBLY-UHFFFAOYSA-N -1 0 377.781 2.513 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnc3c(c2)COCC3)cc1[N+](=O)[O-] ZINC000378478232 563508495 /nfs/dbraw/zinc/50/84/95/563508495.db2.gz UZJBGHGNNXKQAI-UHFFFAOYSA-N -1 0 383.813 2.825 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCCC[C@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000392577858 563527066 /nfs/dbraw/zinc/52/70/66/563527066.db2.gz AJFVYDWOUXVSFB-HIFRSBDPSA-N -1 0 390.845 2.868 20 5 GFBDRM 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398.799 2.577 20 5 GFBDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000830389253 601458489 /nfs/dbraw/zinc/45/84/89/601458489.db2.gz LLMGUAVUAWOSFB-UHFFFAOYSA-N -1 0 377.305 2.592 20 5 GFBDRM Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC000821069657 601494863 /nfs/dbraw/zinc/49/48/63/601494863.db2.gz HDXLXZWXLQRBBK-SNVBAGLBSA-N -1 0 389.339 2.556 20 5 GFBDRM Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(NC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000832922277 601495249 /nfs/dbraw/zinc/49/52/49/601495249.db2.gz VQNOSKYWKBBLHU-LLVKDONJSA-N -1 0 386.364 2.809 20 5 GFBDRM Cc1cc(Cl)c(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2C=O)cc1[N+](=O)[O-] ZINC000832885602 601512829 /nfs/dbraw/zinc/51/28/29/601512829.db2.gz FIPYULGUOHGJDA-UHFFFAOYSA-N -1 0 399.764 2.835 20 5 GFBDRM COc1cc(C(=O)NCC2(C(=O)[O-])CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000610853121 601600477 /nfs/dbraw/zinc/60/04/77/601600477.db2.gz LZGUSWNRNBOURQ-UHFFFAOYSA-N -1 0 388.323 2.580 20 5 GFBDRM 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-1 0 383.451 2.986 20 5 GFBDRM O=C(N[C@@H](CO)c1ccc(Br)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436859803 563682505 /nfs/dbraw/zinc/68/25/05/563682505.db2.gz LXZSLVANLMEBGP-LBPRGKRZSA-N -1 0 381.182 2.526 20 5 GFBDRM Cc1cc(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000292793817 563795855 /nfs/dbraw/zinc/79/58/55/563795855.db2.gz LUHOMKPZSUEKCB-SNVBAGLBSA-N -1 0 381.357 2.942 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1cccc(CO)c1 ZINC000443215530 563795907 /nfs/dbraw/zinc/79/59/07/563795907.db2.gz RNSVCZNNVLQMAL-UHFFFAOYSA-N -1 0 391.232 2.872 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2nccs2)c(Cl)c1 ZINC000446944429 563870824 /nfs/dbraw/zinc/87/08/24/563870824.db2.gz SLFRYSDRFXXMEC-UHFFFAOYSA-N -1 0 385.814 2.896 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)c(Br)c1 ZINC000446945190 563871173 /nfs/dbraw/zinc/87/11/73/563871173.db2.gz CSAHFKVIZCZTJV-UHFFFAOYSA-N -1 0 399.226 2.826 20 5 GFBDRM O=C(NCc1cn2cc(Br)ccc2n1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000507771150 564242780 /nfs/dbraw/zinc/24/27/80/564242780.db2.gz NIHQNZGDPCHTSP-UHFFFAOYSA-N -1 0 391.181 2.641 20 5 GFBDRM C[C@@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2cccc(Cl)c2O1 ZINC000473416085 564247058 /nfs/dbraw/zinc/24/70/58/564247058.db2.gz XBTVGWWFVUMFNY-SECBINFHSA-N -1 0 384.797 2.930 20 5 GFBDRM COC(=O)c1c(C)csc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000508066503 564251648 /nfs/dbraw/zinc/25/16/48/564251648.db2.gz CCUBKIWSWBHHQL-UHFFFAOYSA-N -1 0 384.435 2.736 20 5 GFBDRM CCc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)OC)s2)cc1[N+](=O)[O-] ZINC000566228949 564318181 /nfs/dbraw/zinc/31/81/81/564318181.db2.gz YOXANURAEPIQRC-UHFFFAOYSA-N -1 0 385.423 2.510 20 5 GFBDRM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F)OCCO2 ZINC000476740946 564352990 /nfs/dbraw/zinc/35/29/90/564352990.db2.gz QAKCESSOZGRERV-UHFFFAOYSA-N -1 0 388.760 2.959 20 5 GFBDRM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451961374 564372951 /nfs/dbraw/zinc/37/29/51/564372951.db2.gz GFMAJNNLWYOJEP-MRVPVSSYSA-N -1 0 393.252 2.545 20 5 GFBDRM CCCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000544848718 564402006 /nfs/dbraw/zinc/40/20/06/564402006.db2.gz ICDCTPKHQUVPJE-SNVBAGLBSA-N -1 0 399.252 2.912 20 5 GFBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)Cc1cccs1 ZINC000544923992 564404683 /nfs/dbraw/zinc/40/46/83/564404683.db2.gz YIWJQZMUVFUWPN-SECBINFHSA-N -1 0 384.435 2.572 20 5 GFBDRM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000514984156 564464793 /nfs/dbraw/zinc/46/47/93/564464793.db2.gz OEJGIEPPGPWOEU-LURJTMIESA-N -1 0 382.345 2.505 20 5 GFBDRM Cc1sc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000547964689 564526118 /nfs/dbraw/zinc/52/61/18/564526118.db2.gz VSHBQXPCBBQUDV-CQSZACIVSA-N -1 0 384.435 2.686 20 5 GFBDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000481974288 564530593 /nfs/dbraw/zinc/53/05/93/564530593.db2.gz BLSOETRZWZSNDG-UHFFFAOYSA-N -1 0 385.785 2.713 20 5 GFBDRM C[C@]1(C(=O)[O-])CCCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000570994149 564530696 /nfs/dbraw/zinc/53/06/96/564530696.db2.gz SKTAEVSVDONSIL-FZMZJTMJSA-N -1 0 376.818 2.560 20 5 GFBDRM CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000548596601 564565408 /nfs/dbraw/zinc/56/54/08/564565408.db2.gz OZCMHUTUJBBTFU-SECBINFHSA-N -1 0 378.834 2.806 20 5 GFBDRM CC(C)N1CCc2nc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000571882183 564571023 /nfs/dbraw/zinc/57/10/23/564571023.db2.gz RJBBMKNINLQJMH-UHFFFAOYSA-N -1 0 382.467 2.619 20 5 GFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000572309287 564589778 /nfs/dbraw/zinc/58/97/78/564589778.db2.gz YPJYXBMFMAQTNG-AWEZNQCLSA-N -1 0 384.797 2.661 20 5 GFBDRM CCCC[C@H](Sc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000573458870 564639225 /nfs/dbraw/zinc/63/92/25/564639225.db2.gz IJPQZDGRDPJWGX-ZDUSSCGKSA-N -1 0 376.456 2.581 20 5 GFBDRM CCOC(=O)c1csc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000523458646 564667537 /nfs/dbraw/zinc/66/75/37/564667537.db2.gz QMSMNALMNYDFEO-UHFFFAOYSA-N -1 0 391.814 2.682 20 5 GFBDRM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000574450564 564674643 /nfs/dbraw/zinc/67/46/43/564674643.db2.gz SICWNPFHQSPGJE-ZDUSSCGKSA-N -1 0 382.419 2.880 20 5 GFBDRM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc(Cl)cc2F)c1 ZINC000493601052 564808820 /nfs/dbraw/zinc/80/88/20/564808820.db2.gz ASOAWJLKGQNWQY-UHFFFAOYSA-N -1 0 388.760 2.564 20 5 GFBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)sc2c1 ZINC000556450987 564826502 /nfs/dbraw/zinc/82/65/02/564826502.db2.gz KEHRLBSJTDIKHH-UHFFFAOYSA-N -1 0 377.403 2.940 20 5 GFBDRM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000462333842 564834722 /nfs/dbraw/zinc/83/47/22/564834722.db2.gz KVXIWNHOLHSOOX-ZETCQYMHSA-N -1 0 379.225 2.675 20 5 GFBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000582544194 564851313 /nfs/dbraw/zinc/85/13/13/564851313.db2.gz YUADHMAXORZAJL-UHFFFAOYSA-N -1 0 384.435 2.954 20 5 GFBDRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000558350490 564898958 /nfs/dbraw/zinc/89/89/58/564898958.db2.gz MGMNEHYAIZECSC-UFBFGSQYSA-N -1 0 387.845 2.840 20 5 GFBDRM CC[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1CC(F)F ZINC000583873960 564911046 /nfs/dbraw/zinc/91/10/46/564911046.db2.gz DCYSCLLQGNKYSE-JTQLQIEISA-N -1 0 377.775 2.755 20 5 GFBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)N1CCOc2c(Cl)cccc21 ZINC000499287881 564923072 /nfs/dbraw/zinc/92/30/72/564923072.db2.gz VQGVWGMISFLPLZ-UHFFFAOYSA-N -1 0 384.797 2.850 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCc1cscn1 ZINC000467780690 564972505 /nfs/dbraw/zinc/97/25/05/564972505.db2.gz TWNYFKXCMHASDW-UHFFFAOYSA-N -1 0 382.250 2.879 20 5 GFBDRM CCn1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)nc1C ZINC000504245316 565036402 /nfs/dbraw/zinc/03/64/02/565036402.db2.gz FCQNLPRGOYHRDC-UHFFFAOYSA-N -1 0 376.341 2.522 20 5 GFBDRM Cc1nc(C=Cc2ccc(Br)cc2[N+](=O)[O-])[nH]c(=O)c1CC(=O)[O-] ZINC000504734255 565043671 /nfs/dbraw/zinc/04/36/71/565043671.db2.gz XTPYTCAXKXKWMN-HWKANZROSA-N -1 0 394.181 2.959 20 5 GFBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccsc1 ZINC000614314634 565106951 /nfs/dbraw/zinc/10/69/51/565106951.db2.gz DIVCOIHNMRWVFC-CYBMUJFWSA-N -1 0 384.435 2.767 20 5 GFBDRM O=C([O-])C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000614382020 565111095 /nfs/dbraw/zinc/11/10/95/565111095.db2.gz FWDXTZFDEJRELE-QMMMGPOBSA-N -1 0 383.209 2.529 20 5 GFBDRM O=C([O-])C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000617725454 565253747 /nfs/dbraw/zinc/25/37/47/565253747.db2.gz LRCGYTNKIJCPOJ-UHFFFAOYSA-N -1 0 385.214 2.661 20 5 GFBDRM CCS[C@@H]1CCCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000593307178 565325453 /nfs/dbraw/zinc/32/54/53/565325453.db2.gz KWMYFEVNCPESDD-GFCCVEGCSA-N -1 0 388.467 2.589 20 5 GFBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594487478 565395772 /nfs/dbraw/zinc/39/57/72/565395772.db2.gz MTWPWTAPOSIZLC-DGCLKSJQSA-N -1 0 382.360 2.514 20 5 GFBDRM Cc1sc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594490544 565396805 /nfs/dbraw/zinc/39/68/05/565396805.db2.gz UYAFTRKBXOLENF-SCZZXKLOSA-N -1 0 388.389 2.743 20 5 GFBDRM CCn1ccc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000594702670 565409366 /nfs/dbraw/zinc/40/93/66/565409366.db2.gz RXZVRIQKOKICLW-UHFFFAOYSA-N -1 0 389.231 2.683 20 5 GFBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000594727075 565412238 /nfs/dbraw/zinc/41/22/38/565412238.db2.gz WLUSCLWOXFJYCI-UHFFFAOYSA-N -1 0 386.455 2.844 20 5 GFBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(F)(F)F)nn2C)c1C ZINC000596048486 565509683 /nfs/dbraw/zinc/50/96/83/565509683.db2.gz ZGISOVQMRFLYNG-UHFFFAOYSA-N -1 0 378.332 2.765 20 5 GFBDRM CC1(c2nc(=NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)s[n-]2)CC1 ZINC000600228221 565718680 /nfs/dbraw/zinc/71/86/80/565718680.db2.gz SKOPYODLKVNPRM-UHFFFAOYSA-N -1 0 383.227 2.935 20 5 GFBDRM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc12 ZINC000603483960 565909223 /nfs/dbraw/zinc/90/92/23/565909223.db2.gz KDYXVIBBXOJMIA-UHFFFAOYSA-N -1 0 381.801 2.639 20 5 GFBDRM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000609494291 566041816 /nfs/dbraw/zinc/04/18/16/566041816.db2.gz CPVJXFMDBIEZNW-UHFFFAOYSA-N -1 0 387.801 2.781 20 5 GFBDRM CC(C)c1nc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])no1 ZINC000611498380 566134229 /nfs/dbraw/zinc/13/42/29/566134229.db2.gz MYHFLNZKAIWPPN-UHFFFAOYSA-N -1 0 391.203 2.665 20 5 GFBDRM COC(=O)c1csc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000613455619 566198576 /nfs/dbraw/zinc/19/85/76/566198576.db2.gz VSNCUSMIVLYMMF-UHFFFAOYSA-N -1 0 376.437 2.922 20 5 GFBDRM O=C([O-])C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000769523813 597099154 /nfs/dbraw/zinc/09/91/54/597099154.db2.gz 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/nfs/dbraw/zinc/52/42/96/602524296.db2.gz TWGGAERVOZEDQZ-SNVBAGLBSA-N -1 0 385.804 2.616 20 5 GFBDRM O=C([O-])NC1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000740548940 602590361 /nfs/dbraw/zinc/59/03/61/602590361.db2.gz ZANLNZZHOFDDOZ-UHFFFAOYSA-N -1 0 388.380 2.549 20 5 GFBDRM Cc1ccc(Cl)c(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)c1 ZINC000826289359 607576325 /nfs/dbraw/zinc/57/63/25/607576325.db2.gz XBUHHJYYIPZSEG-UHFFFAOYSA-N -1 0 395.784 2.504 20 5 GFBDRM CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)cc1OC ZINC000739498373 602631674 /nfs/dbraw/zinc/63/16/74/602631674.db2.gz SZARLBLELDPTQT-LBPRGKRZSA-N -1 0 395.412 2.512 20 5 GFBDRM Cn1ccnc1C(=O)c1ccc(N[C@H]2CCCCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000740299837 602814270 /nfs/dbraw/zinc/81/42/70/602814270.db2.gz MVTAHYBPVNSRHF-ZDUSSCGKSA-N -1 0 387.396 2.504 20 5 GFBDRM O=C([O-])N1CCCC[C@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000740358083 602952412 /nfs/dbraw/zinc/95/24/12/602952412.db2.gz BANUIFYDGHCCLH-LBPRGKRZSA-N -1 0 385.804 2.666 20 5 GFBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)N1C(=O)[O-] ZINC000739170540 602999486 /nfs/dbraw/zinc/99/94/86/602999486.db2.gz SICHGDNIGWJONR-RKDXNWHRSA-N -1 0 386.202 2.570 20 5 GFBDRM O=C([O-])N(CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000740431742 603108362 /nfs/dbraw/zinc/10/83/62/603108362.db2.gz UPMLNJKQFOGXGW-UHFFFAOYSA-N -1 0 386.202 2.620 20 5 GFBDRM O=C([O-])NC1CCC(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000832247462 603137348 /nfs/dbraw/zinc/13/73/48/603137348.db2.gz PNTIYMXZOPRRRW-UHFFFAOYSA-N -1 0 391.424 2.791 20 5 GFBDRM CCOc1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCCCN2C(=O)[O-])cc1OC ZINC000739496382 603145668 /nfs/dbraw/zinc/14/56/68/603145668.db2.gz KJXYKUSVEDDJKI-NSHDSACASA-N -1 0 382.369 2.691 20 5 GFBDRM Cn1cc(C(=O)OC[C@@H]2CCCCN2C(=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000740287292 603147366 /nfs/dbraw/zinc/14/73/66/603147366.db2.gz JUDYVEHHEYFYBP-AWEZNQCLSA-N -1 0 388.380 2.685 20 5 GFBDRM O=C([O-])N1CC[C@@H](COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000740723442 603169124 /nfs/dbraw/zinc/16/91/24/603169124.db2.gz WNAHXTBPVMZITO-SNVBAGLBSA-N -1 0 377.378 2.875 20 5 GFBDRM O=C([O-])N1CC[C@@H](COC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000740720574 603175738 /nfs/dbraw/zinc/17/57/38/603175738.db2.gz JUFZLKDOCFEZOQ-SECBINFHSA-N -1 0 392.286 2.693 20 5 GFBDRM C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[C@H]1NC(=O)[O-] ZINC000739138663 603378516 /nfs/dbraw/zinc/37/85/16/603378516.db2.gz WJFRQWIMFVAAMW-WMLDXEAASA-N -1 0 393.443 2.659 20 5 GFBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000739046093 603435432 /nfs/dbraw/zinc/43/54/32/603435432.db2.gz LJHKIBPVYGJMMG-HOSYDEDBSA-N -1 0 385.804 2.568 20 5 GFBDRM C[C@@H]1CN(C(=O)[O-])c2ccccc2N1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000826026430 603586344 /nfs/dbraw/zinc/58/63/44/603586344.db2.gz KVSBIYRDKJTUPN-LLVKDONJSA-N -1 0 377.378 2.677 20 5 GFBDRM C[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CNC(=O)[O-] ZINC000825924227 603719572 /nfs/dbraw/zinc/71/95/72/603719572.db2.gz FWHUMFDJGGFLJB-YGRLFVJLSA-N -1 0 384.820 2.555 20 5 GFBDRM CC(C)NC(=O)c1ccc(N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000824372825 604050017 /nfs/dbraw/zinc/05/00/17/604050017.db2.gz FJLVLWSSVXFMOM-TZMCWYRMSA-N -1 0 378.429 2.606 20 5 GFBDRM Cc1ccc(NC(=O)N2CCC(OCCCNC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000830381171 604122252 /nfs/dbraw/zinc/12/22/52/604122252.db2.gz FRXDKHCBSWBYSR-UHFFFAOYSA-N -1 0 380.401 2.574 20 5 GFBDRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000825263728 604246639 /nfs/dbraw/zinc/24/66/39/604246639.db2.gz HSFKDSJWMVHLMR-MNOVXSKESA-N -1 0 384.820 2.555 20 5 GFBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825624525 604253828 /nfs/dbraw/zinc/25/38/28/604253828.db2.gz XODCUMKQEBATHE-AVGNSLFASA-N -1 0 381.454 2.970 20 5 GFBDRM 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380.875 2.893 20 5 GFBDRM C[C@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000920330662 664525089 /nfs/dbraw/zinc/52/50/89/664525089.db2.gz AOPTYFDNBBGPLD-JTQLQIEISA-N -1 0 384.797 2.521 20 5 GFBDRM CC(C)CCSCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000920334896 664525287 /nfs/dbraw/zinc/52/52/87/664525287.db2.gz UDXPXSHLLKBVFJ-UHFFFAOYSA-N -1 0 380.875 2.832 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@H](C)OCCC(C)C)cc1[N+](=O)[O-] ZINC000921134055 664537785 /nfs/dbraw/zinc/53/77/85/664537785.db2.gz RWKLSAIEOBAIKL-NSHDSACASA-N -1 0 392.861 2.813 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)cc1 ZINC000005403183 551097467 /nfs/dbraw/zinc/09/74/67/551097467.db2.gz NCCVYSHYNIUELI-UHFFFAOYSA-N -1 0 379.785 2.630 20 5 GFBDRM CCCOc1ncccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000122561055 551300186 /nfs/dbraw/zinc/30/01/86/551300186.db2.gz WWWLTHLCNSDBRY-UHFFFAOYSA-N -1 0 385.829 2.911 20 5 GFBDRM CCc1ncc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000161896603 551600090 /nfs/dbraw/zinc/60/00/90/551600090.db2.gz ISMRUYNHOBAIRP-UHFFFAOYSA-N -1 0 387.215 2.511 20 5 GFBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181332366 552253545 /nfs/dbraw/zinc/25/35/45/552253545.db2.gz DFGAZBTVESJRMG-UHFFFAOYSA-N -1 0 377.300 2.818 20 5 GFBDRM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000421160115 563298856 /nfs/dbraw/zinc/29/88/56/563298856.db2.gz XVDWISFVYWRSBN-LLVKDONJSA-N -1 0 382.385 2.999 20 5 GFBDRM COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1[N+](=O)[O-] ZINC000327426289 563457804 /nfs/dbraw/zinc/45/78/04/563457804.db2.gz NJHWIPHWOVCRAR-UHFFFAOYSA-N -1 0 386.769 2.756 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000327592374 563458616 /nfs/dbraw/zinc/45/86/16/563458616.db2.gz ILUXFOBZZWUVAD-NSHDSACASA-N -1 0 390.845 2.965 20 5 GFBDRM COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000327876997 563459976 /nfs/dbraw/zinc/45/99/76/563459976.db2.gz 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CC(C)([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000451027225 564264718 /nfs/dbraw/zinc/26/47/18/564264718.db2.gz AMNDVSFRXFXGKP-UHFFFAOYSA-N -1 0 391.165 2.977 20 5 GFBDRM CS(=O)(=O)c1ccccc1CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566844447 564345723 /nfs/dbraw/zinc/34/57/23/564345723.db2.gz LSLKBHAZEYUERS-UHFFFAOYSA-N -1 0 384.797 2.539 20 5 GFBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CC12CCOCC2 ZINC000451885950 564362219 /nfs/dbraw/zinc/36/22/19/564362219.db2.gz CFGXKGZMTTVMOC-LLVKDONJSA-N -1 0 381.237 2.749 20 5 GFBDRM CSc1c[nH]nc1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000544673066 564393208 /nfs/dbraw/zinc/39/32/08/564393208.db2.gz HRFXEWYDIPKTAO-UHFFFAOYSA-N -1 0 393.244 2.603 20 5 GFBDRM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480850075 564491339 /nfs/dbraw/zinc/49/13/39/564491339.db2.gz GUKNIKIBWVSTJB-PELKAZGASA-N -1 0 394.280 2.663 20 5 GFBDRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)c(F)c1 ZINC000547937205 564523443 /nfs/dbraw/zinc/52/34/43/564523443.db2.gz XVZDRQXKHNJSQC-NSHDSACASA-N -1 0 394.789 2.553 20 5 GFBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000571167224 564538773 /nfs/dbraw/zinc/53/87/73/564538773.db2.gz ABMRXJGCOLBMJA-LBPRGKRZSA-N -1 0 382.722 2.729 20 5 GFBDRM CCC[C@@H](C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000548263385 564545301 /nfs/dbraw/zinc/54/53/01/564545301.db2.gz AAXODTSKTWABBQ-SKDRFNHKSA-N -1 0 378.834 2.806 20 5 GFBDRM Cc1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000571589452 564557791 /nfs/dbraw/zinc/55/77/91/564557791.db2.gz HLRLAIGVUPPVPL-AWEZNQCLSA-N -1 0 384.797 2.661 20 5 GFBDRM CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000548576867 564563046 /nfs/dbraw/zinc/56/30/46/564563046.db2.gz JNEITIZQHASELQ-SDBXPKJASA-N -1 0 378.834 2.676 20 5 GFBDRM CO[C@H](C)c1nc(=NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])s[n-]1 ZINC000571961315 564574397 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Cn1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1C(=O)[O-] ZINC000833047828 601309865 /nfs/dbraw/zinc/30/98/65/601309865.db2.gz UCRRXGARLUYGJI-UHFFFAOYSA-N -1 0 375.384 2.830 20 5 GFBDRM CC[C@H](NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000828907422 601372402 /nfs/dbraw/zinc/37/24/02/601372402.db2.gz UZLYFZMYLMRMHI-HNNXBMFYSA-N -1 0 389.339 2.638 20 5 GFBDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1Cl ZINC000827695251 601385242 /nfs/dbraw/zinc/38/52/42/601385242.db2.gz PRLCHLLONDVQOX-GLEZIHRCSA-N -1 0 396.758 2.937 20 5 GFBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1C ZINC000580694844 601386453 /nfs/dbraw/zinc/38/64/53/601386453.db2.gz MVMMOSGHXZIUQI-KRWDZBQOSA-N -1 0 390.417 2.584 20 5 GFBDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000237539633 601393035 /nfs/dbraw/zinc/39/30/35/601393035.db2.gz RKGOMVOTFPHYDL-SCLBCKFNSA-N -1 0 394.387 2.972 20 5 GFBDRM Cc1nn(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])c2ncc([N+](=O)[O-])cc12 ZINC000833017201 601399787 /nfs/dbraw/zinc/39/97/87/601399787.db2.gz ZYLWSMSWEUNUIJ-ZDUSSCGKSA-N -1 0 383.408 2.828 20 5 GFBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000262377741 601475966 /nfs/dbraw/zinc/47/59/66/601475966.db2.gz GIZLYRAIICEOTP-SNPRPXQTSA-N -1 0 382.438 2.618 20 5 GFBDRM Cc1c(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000832850464 601574988 /nfs/dbraw/zinc/57/49/88/601574988.db2.gz QMVXQPINKFEVSN-KRWDZBQOSA-N -1 0 399.359 2.944 20 5 GFBDRM O=C([O-])c1cc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)cc(F)c1F ZINC000833306411 601582815 /nfs/dbraw/zinc/58/28/15/601582815.db2.gz QXZRHKAUQBQNNI-UHFFFAOYSA-N -1 0 393.707 2.992 20 5 GFBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](C(=O)[O-])C3CC3)cc2[N+](=O)[O-])C1 ZINC000262114872 601596258 /nfs/dbraw/zinc/59/62/58/601596258.db2.gz JBPUHFLDOBKHGR-PSTGCABASA-N -1 0 375.425 2.670 20 5 GFBDRM 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Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000832855868 601911594 /nfs/dbraw/zinc/91/15/94/601911594.db2.gz GKOWHFPHDIEQCO-CHWSQXEVSA-N -1 0 379.369 2.965 20 5 GFBDRM COc1cc(C(=O)NCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])cc1OC(F)F ZINC000532254327 601923474 /nfs/dbraw/zinc/92/34/74/601923474.db2.gz FMQPPQXFAPXCSY-UHFFFAOYSA-N -1 0 396.302 2.833 20 5 GFBDRM COC(=O)c1cccc(CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000831453062 601935161 /nfs/dbraw/zinc/93/51/61/601935161.db2.gz GLLRWZFXDDUKML-UHFFFAOYSA-N -1 0 375.293 2.600 20 5 GFBDRM O=C([O-])CSc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000833265289 601987372 /nfs/dbraw/zinc/98/73/72/601987372.db2.gz UVMLRSNPMSMXHZ-UHFFFAOYSA-N -1 0 387.366 2.678 20 5 GFBDRM CCOc1cc(C(=O)Nc2ccc(NC(=O)[O-])nc2)c([N+](=O)[O-])cc1OC ZINC000739486931 601995044 /nfs/dbraw/zinc/99/50/44/601995044.db2.gz LSOATGBSELDQHN-UHFFFAOYSA-N -1 0 376.325 2.739 20 5 GFBDRM O=C([O-])c1ccncc1OS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000833334669 601998673 /nfs/dbraw/zinc/99/86/73/601998673.db2.gz RWILDVXCIFFFRQ-UHFFFAOYSA-N -1 0 393.160 2.763 20 5 GFBDRM O=C([O-])[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1 ZINC000833103822 602085417 /nfs/dbraw/zinc/08/54/17/602085417.db2.gz IJYHQFPDAWETOM-CYBMUJFWSA-N -1 0 388.163 2.857 20 5 GFBDRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000740450176 602144970 /nfs/dbraw/zinc/14/49/70/602144970.db2.gz ZQPRWOISAFXPCG-GDBMZVCRSA-N -1 0 376.413 2.659 20 5 GFBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c1C ZINC000832958280 602195935 /nfs/dbraw/zinc/19/59/35/602195935.db2.gz RSEXQZOTGGUYCX-UHFFFAOYSA-N -1 0 386.332 2.989 20 5 GFBDRM CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426687887 602243107 /nfs/dbraw/zinc/24/31/07/602243107.db2.gz NGGRJEONXYTPOA-SNVBAGLBSA-N -1 0 388.401 2.751 20 5 GFBDRM C[C@@H](Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000827767685 602250066 /nfs/dbraw/zinc/25/00/66/602250066.db2.gz HSVCWWSYHBQKKJ-MRVPVSSYSA-N -1 0 399.812 2.767 20 5 GFBDRM Cc1nc(CN2CCCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)oc1C ZINC000832891032 602317011 /nfs/dbraw/zinc/31/70/11/602317011.db2.gz IQWBQGJKDNAKAK-UHFFFAOYSA-N -1 0 388.424 2.919 20 5 GFBDRM Cc1ccc(N(C)C2CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)nn1 ZINC000519546601 602318426 /nfs/dbraw/zinc/31/84/26/602318426.db2.gz SHHBNXHVFKDNGA-UHFFFAOYSA-N -1 0 385.424 2.805 20 5 GFBDRM Cc1cc(Cl)c(S(=O)(=O)N(CC(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC000776662127 602327463 /nfs/dbraw/zinc/32/74/63/602327463.db2.gz WIEQQOUIKZPZME-UHFFFAOYSA-N -1 0 376.818 2.575 20 5 GFBDRM O=C([O-])N1CC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000740425849 602417604 /nfs/dbraw/zinc/41/76/04/602417604.db2.gz GLYZMSLVXJEAOT-CQSZACIVSA-N -1 0 390.440 2.705 20 5 GFBDRM C[C@H](NC(=O)[O-])C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000739015714 602443767 /nfs/dbraw/zinc/44/37/67/602443767.db2.gz PGWWWRWWNQRWDV-NSHDSACASA-N -1 0 375.385 2.513 20 5 GFBDRM O=C([O-])NCC1(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC000740615438 602453631 /nfs/dbraw/zinc/45/36/31/602453631.db2.gz ZDWNNKRUZJQIEJ-UHFFFAOYSA-N -1 0 390.440 2.508 20 5 GFBDRM Cn1c(C(=O)N(Cc2ccccc2)[C@@H]2CCCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000740280665 602489929 /nfs/dbraw/zinc/48/99/29/602489929.db2.gz XWYXQDNNTBNKOK-OAHLLOKOSA-N -1 0 386.408 2.718 20 5 GFBDRM CCOc1cc(C(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OC ZINC000739486839 602634124 /nfs/dbraw/zinc/63/41/24/602634124.db2.gz KIWOQBHAPFUTIW-GFCCVEGCSA-N -1 0 395.412 2.512 20 5 GFBDRM O=C([O-])NC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000740623021 602798947 /nfs/dbraw/zinc/79/89/47/602798947.db2.gz KKIQBTALTFQLDB-JTQLQIEISA-N -1 0 386.202 2.620 20 5 GFBDRM 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ZINC000740532860 603024806 /nfs/dbraw/zinc/02/48/06/603024806.db2.gz AAAGVDLJMSKNRH-HNNXBMFYSA-N -1 0 375.406 2.812 20 5 GFBDRM CCC[C@H](NC(=O)[O-])C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000739330633 603174619 /nfs/dbraw/zinc/17/46/19/603174619.db2.gz RJWCUXAXSWLVCQ-NSHDSACASA-N -1 0 375.175 2.837 20 5 GFBDRM O=C([O-])N1CCC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000739387103 603204735 /nfs/dbraw/zinc/20/47/35/603204735.db2.gz GKTJGTFKRAYLFJ-LLVKDONJSA-N -1 0 376.394 2.591 20 5 GFBDRM CC(C)C[C@@](C)(CNC(=O)[O-])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000738808998 603229715 /nfs/dbraw/zinc/22/97/15/603229715.db2.gz WMAYQAXRDWFDOB-SFHVURJKSA-N -1 0 389.412 2.583 20 5 GFBDRM Cc1cccc(Cl)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826298166 607618740 /nfs/dbraw/zinc/61/87/40/607618740.db2.gz GVXWLFQASTXJNE-UHFFFAOYSA-N -1 0 395.784 2.504 20 5 GFBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000829511411 603374888 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0 384.435 2.767 20 5 GFBDRM CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000592448051 565276609 /nfs/dbraw/zinc/27/66/09/565276609.db2.gz MIEMCLYLZABEQM-SCZZXKLOSA-N -1 0 397.236 2.918 20 5 GFBDRM C[C@H](C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000594572928 565399530 /nfs/dbraw/zinc/39/95/30/565399530.db2.gz FHSFFWIXXJYLSI-MNOVXSKESA-N -1 0 390.845 2.760 20 5 GFBDRM C[C@@H](CC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000594573004 565400836 /nfs/dbraw/zinc/40/08/36/565400836.db2.gz GWHSWEYWJLJXLZ-JTQLQIEISA-N -1 0 390.845 2.760 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000594671907 565405579 /nfs/dbraw/zinc/40/55/79/565405579.db2.gz FEZUXOIIGGNCPK-KOLCDFICSA-N -1 0 390.845 2.678 20 5 GFBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000594725673 565411532 /nfs/dbraw/zinc/41/15/32/565411532.db2.gz DGAIHUDQUKYZFB-UHFFFAOYSA-N -1 0 386.455 2.844 20 5 GFBDRM 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AYJZBSBACIGKLK-MRVPVSSYSA-N -1 0 387.414 2.793 20 5 GFBDRM CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000918479356 664499720 /nfs/dbraw/zinc/49/97/20/664499720.db2.gz NBJMZFJLLUYWGL-SECBINFHSA-N -1 0 380.875 2.975 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc(CN3CCCCC3)cs2)cc1 ZINC000127654256 551343085 /nfs/dbraw/zinc/34/30/85/551343085.db2.gz HHSIRENSBHEUQA-UHFFFAOYSA-N -1 0 382.467 2.838 20 5 GFBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cncc(Br)c2)c(F)c1 ZINC000158220499 551548686 /nfs/dbraw/zinc/54/86/86/551548686.db2.gz BVMBFAAPJQGDRA-UHFFFAOYSA-N -1 0 376.163 2.692 20 5 GFBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cncc(I)c1 ZINC000166194614 551630955 /nfs/dbraw/zinc/63/09/55/551630955.db2.gz NKVKYRMDZYKGPU-UHFFFAOYSA-N -1 0 385.117 2.552 20 5 GFBDRM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000174041201 552097461 /nfs/dbraw/zinc/09/74/61/552097461.db2.gz JKISJERFWMVZIK-QMMMGPOBSA-N -1 0 388.833 2.968 20 5 GFBDRM 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375.332 2.856 20 5 GFBDRM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000564255130 564226841 /nfs/dbraw/zinc/22/68/41/564226841.db2.gz JHPCLCIPQUDDAT-AWEZNQCLSA-N -1 0 388.442 2.834 20 5 GFBDRM O=C(NCCNc1cccc(Br)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507369860 564227051 /nfs/dbraw/zinc/22/70/51/564227051.db2.gz MUBMJZIKDOPHJE-UHFFFAOYSA-N -1 0 380.198 2.905 20 5 GFBDRM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000544192179 564379090 /nfs/dbraw/zinc/37/90/90/564379090.db2.gz OAHBDKDCSDUGAF-YUMQZZPRSA-N -1 0 399.252 2.768 20 5 GFBDRM CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000546262989 564451379 /nfs/dbraw/zinc/45/13/79/564451379.db2.gz XSAUJSZOEFRUTP-UHFFFAOYSA-N -1 0 384.797 2.767 20 5 GFBDRM Cc1csc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000481860610 564525741 /nfs/dbraw/zinc/52/57/41/564525741.db2.gz BHDFBPRNRWNMGG-UHFFFAOYSA-N -1 0 378.229 2.923 20 5 GFBDRM 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ZINC000519491453 564578774 /nfs/dbraw/zinc/57/87/74/564578774.db2.gz VMVOMJXXIHPRNG-UHFFFAOYSA-N -1 0 394.274 2.517 20 5 GFBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000573301638 564632005 /nfs/dbraw/zinc/63/20/05/564632005.db2.gz VUAQTZOZJGXWII-CYBMUJFWSA-N -1 0 384.797 2.661 20 5 GFBDRM COC(=O)c1ccnc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000522901282 564659486 /nfs/dbraw/zinc/65/94/86/564659486.db2.gz ICYUQBLSIXCZAP-UHFFFAOYSA-N -1 0 385.785 2.539 20 5 GFBDRM Cc1nn(C)c(Sc2n[n-]c(=NCCc3ccccc3)s2)c1[N+](=O)[O-] ZINC000523703902 564672116 /nfs/dbraw/zinc/67/21/16/564672116.db2.gz DNSLYNKQAINDBX-UHFFFAOYSA-N -1 0 376.467 2.716 20 5 GFBDRM CCOC(=O)CCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462454391 564841142 /nfs/dbraw/zinc/84/11/42/564841142.db2.gz BDGCRGDEQIKTBQ-UHFFFAOYSA-N -1 0 385.225 2.523 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc3c2CNC3=O)cc1[N+](=O)[O-] ZINC000582867542 564865641 /nfs/dbraw/zinc/86/56/41/564865641.db2.gz QXTURRZOKYAJEO-UHFFFAOYSA-N -1 0 381.797 2.601 20 5 GFBDRM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000463463077 564882766 /nfs/dbraw/zinc/88/27/66/564882766.db2.gz SBRYFOKPWSKVOG-UHFFFAOYSA-N -1 0 385.785 2.539 20 5 GFBDRM C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000583995065 564916170 /nfs/dbraw/zinc/91/61/70/564916170.db2.gz ZXUAJAJUUXMNQQ-APPZFPTMSA-N -1 0 397.236 2.633 20 5 GFBDRM O=C([O-])C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000532868099 564948343 /nfs/dbraw/zinc/94/83/43/564948343.db2.gz XWYKICIBTCFDAQ-JTQLQIEISA-N -1 0 385.214 2.613 20 5 GFBDRM Cc1ccc2[nH]c(CNS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])nc2c1 ZINC000466904999 564950285 /nfs/dbraw/zinc/95/02/85/564950285.db2.gz BOIQUYPIZHLUHJ-UHFFFAOYSA-N -1 0 380.813 2.911 20 5 GFBDRM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000469025770 565003528 /nfs/dbraw/zinc/00/35/28/565003528.db2.gz SPGPAGMMYJIWKM-NSHDSACASA-N -1 0 390.826 2.502 20 5 GFBDRM 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ZINC000832890771 601545537 /nfs/dbraw/zinc/54/55/37/601545537.db2.gz WLTPLZOGHCEQLF-UHFFFAOYSA-N -1 0 375.425 2.830 20 5 GFBDRM O=C([O-])c1cc(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000262228354 601664770 /nfs/dbraw/zinc/66/47/70/601664770.db2.gz YDBPOQNLMHAXKQ-KRWDZBQOSA-N -1 0 384.388 2.767 20 5 GFBDRM CCOc1cc(C)ccc1CNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000830043796 601680998 /nfs/dbraw/zinc/68/09/98/601680998.db2.gz AXZXVZAMWMQMHB-UHFFFAOYSA-N -1 0 387.392 2.728 20 5 GFBDRM Cc1sc(C(=O)[O-])cc1COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000833032572 601722833 /nfs/dbraw/zinc/72/28/33/601722833.db2.gz BNCDVUAHMQHYEX-UHFFFAOYSA-N -1 0 375.362 2.756 20 5 GFBDRM COc1cc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c([N+](=O)[O-])cc1OC ZINC000831882826 601743800 /nfs/dbraw/zinc/74/38/00/601743800.db2.gz RFJYFTZEIYVJDL-UHFFFAOYSA-N -1 0 395.393 2.728 20 5 GFBDRM CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1OC ZINC000830049580 601755381 /nfs/dbraw/zinc/75/53/81/601755381.db2.gz ILWMOOSWGWNOQT-INIZCTEOSA-N -1 0 380.397 2.765 20 5 GFBDRM CCOc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000830032917 601820445 /nfs/dbraw/zinc/82/04/45/601820445.db2.gz UBGSZOUJYLYUAB-INIZCTEOSA-N -1 0 392.339 2.697 20 5 GFBDRM Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](CN(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000740045444 601850606 /nfs/dbraw/zinc/85/06/06/601850606.db2.gz JYRKCAUEVPYPHE-KGLIPLIRSA-N -1 0 378.429 2.552 20 5 GFBDRM C[C@@]1(c2ccccc2)CN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000828129008 601859572 /nfs/dbraw/zinc/85/95/72/601859572.db2.gz ZCBOMHMCZBTDHT-SFHVURJKSA-N -1 0 387.348 2.953 20 5 GFBDRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262095176 601908424 /nfs/dbraw/zinc/90/84/24/601908424.db2.gz MCOIBHCLUJFUDG-CVEARBPZSA-N -1 0 386.408 2.934 20 5 GFBDRM Cn1ccnc1C(=O)c1ccc(NCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000833059425 601932901 /nfs/dbraw/zinc/93/29/01/601932901.db2.gz SWXXNSFYXPPSLF-UHFFFAOYSA-N -1 0 380.360 2.870 20 5 GFBDRM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738633464 601981219 /nfs/dbraw/zinc/98/12/19/601981219.db2.gz YTJGAZBTTDTEIP-CMPLNLGQSA-N -1 0 384.820 2.649 20 5 GFBDRM O=C([O-])COc1cccc(C(=O)O[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000833259255 601982021 /nfs/dbraw/zinc/98/20/21/601982021.db2.gz BGLATMFAIKSFNA-CABCVRRESA-N -1 0 389.364 2.595 20 5 GFBDRM Cc1cc(Cl)c(S(=O)(=O)NCc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000753853238 601994204 /nfs/dbraw/zinc/99/42/04/601994204.db2.gz NDUQFQXGCGXAAL-UHFFFAOYSA-N -1 0 384.797 2.733 20 5 GFBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c1C ZINC000567800588 602208286 /nfs/dbraw/zinc/20/82/86/602208286.db2.gz XEAFEXHMAZWTIV-MRXNPFEDSA-N -1 0 390.417 2.584 20 5 GFBDRM CC(C)(C(=O)[O-])[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000826106190 602218817 /nfs/dbraw/zinc/21/88/17/602218817.db2.gz UORSMMQGNHTACI-OAHLLOKOSA-N -1 0 378.406 2.725 20 5 GFBDRM C[C@H](CC(=O)[O-])C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000827326628 602281606 /nfs/dbraw/zinc/28/16/06/602281606.db2.gz ZKCJPLCXJVMIHQ-SFYZADRCSA-N -1 0 392.286 2.595 20 5 GFBDRM O=C([O-])c1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1F ZINC000833319861 602369538 /nfs/dbraw/zinc/36/95/38/602369538.db2.gz QJDQUINSFBKJOV-UHFFFAOYSA-N -1 0 388.355 2.786 20 5 GFBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738852058 602419184 /nfs/dbraw/zinc/41/91/84/602419184.db2.gz FMFZDAXQWUKWFY-HNNXBMFYSA-N -1 0 378.429 2.905 20 5 GFBDRM CCc1n[nH]c(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000739538444 602420352 /nfs/dbraw/zinc/42/03/52/602420352.db2.gz FOANBDGJCBKGSV-CQSZACIVSA-N -1 0 389.412 2.742 20 5 GFBDRM Cc1c(NC(=O)[C@@H](C)N2CCC([C@@H](C)NC(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000740045523 602448453 /nfs/dbraw/zinc/44/84/53/602448453.db2.gz LJFATCXPSLSJAY-CHWSQXEVSA-N -1 0 378.429 2.598 20 5 GFBDRM 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VOBMPQBPOUOUOL-ZDUSSCGKSA-N -1 0 387.348 2.519 20 5 GFBDRM CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000592981030 600502878 /nfs/dbraw/zinc/50/28/78/600502878.db2.gz SWFQHIZUPQJMRY-UHFFFAOYSA-N -1 0 397.409 2.529 20 5 GFBDRM COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738147336 600543417 /nfs/dbraw/zinc/54/34/17/600543417.db2.gz DWMPCWKMFKQHBL-UHFFFAOYSA-N -1 0 382.332 2.740 20 5 GFBDRM O=C([O-])CNC(=O)c1ccc(NCCc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000739813142 600560781 /nfs/dbraw/zinc/56/07/81/600560781.db2.gz NZLOICRDUJIZHJ-UHFFFAOYSA-N -1 0 383.360 2.810 20 5 GFBDRM COC(=O)c1ccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000831410379 600660966 /nfs/dbraw/zinc/66/09/66/600660966.db2.gz IVCNOCNFUBIOQB-SNVBAGLBSA-N -1 0 387.348 2.962 20 5 GFBDRM Cc1cc(S(=O)(=O)N2CCCc3ccc([N+](=O)[O-])cc32)ccc1C(=O)[O-] ZINC000832903248 600746396 /nfs/dbraw/zinc/74/63/96/600746396.db2.gz VBTWQKHEGWGRKY-UHFFFAOYSA-N -1 0 376.390 2.743 20 5 GFBDRM C[C@@H](NC(=O)c1ccc(N2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703149 600816217 /nfs/dbraw/zinc/81/62/17/600816217.db2.gz HMZNRAFUIMHHIZ-ZBFHGGJFSA-N -1 0 397.431 2.867 20 5 GFBDRM Cc1ccccc1O[C@@H](C)CNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000832979830 600822174 /nfs/dbraw/zinc/82/21/74/600822174.db2.gz VWOAXOXIFPZAKJ-ZDUSSCGKSA-N -1 0 387.392 2.597 20 5 GFBDRM Cc1cnc(N2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000832988421 600828750 /nfs/dbraw/zinc/82/87/50/600828750.db2.gz RZVFNBGDVBLWGR-INIZCTEOSA-N -1 0 390.827 2.900 20 5 GFBDRM O=C([O-])COc1cccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000739826539 600941255 /nfs/dbraw/zinc/94/12/55/600941255.db2.gz WNIPIWBWLLKVCP-SFHVURJKSA-N -1 0 388.401 2.946 20 5 GFBDRM CCO[C@@H]1C[C@@H](Nc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C12CCC2 ZINC000737164479 600941734 /nfs/dbraw/zinc/94/17/34/600941734.db2.gz FIEVMSTZUGPTPE-HFBAOOFYSA-N -1 0 391.424 2.557 20 5 GFBDRM O=C([O-])c1ccc(NC(=O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000833105958 601037681 /nfs/dbraw/zinc/03/76/81/601037681.db2.gz NIJBQEKQZFWRAR-UHFFFAOYSA-N -1 0 399.403 2.775 20 5 GFBDRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000833177572 601094565 /nfs/dbraw/zinc/09/45/65/601094565.db2.gz PJDZNYYIXMJQQV-YOEHRIQHSA-N -1 0 376.409 2.856 20 5 GFBDRM O=C([O-])[C@H](OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1F ZINC000833352265 601106884 /nfs/dbraw/zinc/10/68/84/601106884.db2.gz VCJZDHGOKQSDMS-MRXNPFEDSA-N -1 0 385.307 2.902 20 5 GFBDRM Cc1cc(S(=O)(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000547939972 601128223 /nfs/dbraw/zinc/12/82/23/601128223.db2.gz AHLAZBRTYCXHOC-BLLLJJGKSA-N -1 0 378.406 2.644 20 5 GFBDRM CCOc1cc([N+](=O)[O-])c(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1OC ZINC000830049543 601153995 /nfs/dbraw/zinc/15/39/95/601153995.db2.gz GJBALWIBBMVLDX-UHFFFAOYSA-N -1 0 392.339 2.873 20 5 GFBDRM 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Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000832940934 601495259 /nfs/dbraw/zinc/49/52/59/601495259.db2.gz MHHAMZZHMDPQPE-GFCCVEGCSA-N -1 0 385.376 2.726 20 5 GFBDRM CCCCC[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000829311805 601642044 /nfs/dbraw/zinc/64/20/44/601642044.db2.gz LSEGICYVBYFYIF-OAHLLOKOSA-N -1 0 377.441 2.961 20 5 GFBDRM O=C([O-])c1cccn2cc(COC(=O)c3c(F)ccc([N+](=O)[O-])c3F)nc12 ZINC000833353238 601681392 /nfs/dbraw/zinc/68/13/92/601681392.db2.gz JPDKJQVWINDHIA-UHFFFAOYSA-N -1 0 377.259 2.576 20 5 GFBDRM C[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000828335445 601714636 /nfs/dbraw/zinc/71/46/36/601714636.db2.gz ZPEJWWMLNVHMFP-KOLCDFICSA-N -1 0 389.330 2.595 20 5 GFBDRM O=C([O-])c1cc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)cc([N+](=O)[O-])c1 ZINC000191656664 601739257 /nfs/dbraw/zinc/73/92/57/601739257.db2.gz IBMSLNNSBKWSOZ-LBPRGKRZSA-N -1 0 391.330 2.580 20 5 GFBDRM O=C([O-])NCCc1ccc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1 ZINC000740671812 601922377 /nfs/dbraw/zinc/92/23/77/601922377.db2.gz VEKLMIUQNRBUGH-UHFFFAOYSA-N -1 0 383.364 2.666 20 5 GFBDRM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739063448 601975795 /nfs/dbraw/zinc/97/57/95/601975795.db2.gz MYGLUKQUUSLGBR-RISCZKNCSA-N -1 0 375.385 2.780 20 5 GFBDRM C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)cc2[N+](=O)[O-])C1 ZINC000332408715 602035291 /nfs/dbraw/zinc/03/52/91/602035291.db2.gz DNYJSGVQDZMUOL-DJJJIMSYSA-N -1 0 375.425 2.768 20 5 GFBDRM O=C([O-])c1csc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000833340645 602187050 /nfs/dbraw/zinc/18/70/50/602187050.db2.gz LXRPXPVYRRQWHX-SECBINFHSA-N -1 0 395.418 2.659 20 5 GFBDRM C[C@H](NC(=O)c1ccc(N2CCC(OC(C)(C)C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703586 602315337 /nfs/dbraw/zinc/31/53/37/602315337.db2.gz PEMDCHXMLXBHRW-LBPRGKRZSA-N -1 0 393.440 2.582 20 5 GFBDRM O=C([O-])Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cn2)nc1-c1ccccc1 ZINC000833269483 602345797 /nfs/dbraw/zinc/34/57/97/602345797.db2.gz DHBKHUXSEDAVCC-UHFFFAOYSA-N -1 0 384.373 2.993 20 5 GFBDRM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737723033 602531341 /nfs/dbraw/zinc/53/13/41/602531341.db2.gz ZHMANLGLPNNUKO-LLVKDONJSA-N -1 0 375.385 2.780 20 5 GFBDRM O=C([O-])NCc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000740674480 602638000 /nfs/dbraw/zinc/63/80/00/602638000.db2.gz RFYRGHIUNFBUQM-UHFFFAOYSA-N -1 0 391.405 2.504 20 5 GFBDRM C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)N1C(=O)[O-] ZINC000739170253 602753996 /nfs/dbraw/zinc/75/39/96/602753996.db2.gz FKKWIQWUOJALFU-QWRGUYRKSA-N -1 0 390.421 2.931 20 5 GFBDRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000740628364 602798318 /nfs/dbraw/zinc/79/83/18/602798318.db2.gz IAJJHDWLYWPXLI-GXTWGEPZSA-N -1 0 376.413 2.725 20 5 GFBDRM NC(=O)c1ccc(COC(=O)c2ccc(NC(=O)[O-])cc2Cl)c([N+](=O)[O-])c1 ZINC000740331026 602907488 /nfs/dbraw/zinc/90/74/88/602907488.db2.gz IMJASWFIVGTLOY-UHFFFAOYSA-N -1 0 393.739 2.794 20 5 GFBDRM O=C([O-])N[C@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000740691594 602937084 /nfs/dbraw/zinc/93/70/84/602937084.db2.gz YGAZOZOAHOHQIQ-HNNXBMFYSA-N -1 0 388.332 2.513 20 5 GFBDRM C[C@@H](CN(C)C(=O)[O-])c1noc(CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000738910570 602949555 /nfs/dbraw/zinc/94/95/55/602949555.db2.gz SRHDRNOILPEGFM-VIFPVBQESA-N -1 0 384.776 2.966 20 5 GFBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)N1C(=O)[O-] ZINC000739170535 602999553 /nfs/dbraw/zinc/99/95/53/602999553.db2.gz SICHGDNIGWJONR-DTORHVGOSA-N -1 0 386.202 2.570 20 5 GFBDRM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](CNC(=O)[O-])C2CC2)CC1 ZINC000739112699 603057629 /nfs/dbraw/zinc/05/76/29/603057629.db2.gz GTASPNMLSNTRKT-MRXNPFEDSA-N -1 0 390.440 2.607 20 5 GFBDRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000740635673 603311374 /nfs/dbraw/zinc/31/13/74/603311374.db2.gz YNNSLNRAZZQZQT-CZUORRHYSA-N -1 0 390.440 2.751 20 5 GFBDRM CC(C)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)NC(=O)[O-] ZINC000738793065 603417786 /nfs/dbraw/zinc/41/77/86/603417786.db2.gz JWRJIHBZIWNTQN-GFCCVEGCSA-N -1 0 378.410 2.740 20 5 GFBDRM O=C([O-])NCc1ccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000832714524 603453548 /nfs/dbraw/zinc/45/35/48/603453548.db2.gz FISHXIXWIUDUET-UHFFFAOYSA-N -1 0 387.304 2.967 20 5 GFBDRM C[C@](CNC(=O)[O-])(NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000824946749 603537902 /nfs/dbraw/zinc/53/79/02/603537902.db2.gz SPWVEHKQTIUDDI-CQSZACIVSA-N -1 0 375.303 2.780 20 5 GFBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1c2ccccc2N(C(=O)[O-])C[C@@H]1C ZINC000830531325 603589690 /nfs/dbraw/zinc/58/96/90/603589690.db2.gz DZKIUSBGJNOGGP-LBPRGKRZSA-N -1 0 391.405 2.985 20 5 GFBDRM C[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H]1CNC(=O)[O-] ZINC000825919414 603673647 /nfs/dbraw/zinc/67/36/47/603673647.db2.gz MRJGXEHSWZAQRO-GUYCJALGSA-N -1 0 390.440 2.703 20 5 GFBDRM C[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H]1CNC(=O)[O-] ZINC000825919412 603673689 /nfs/dbraw/zinc/67/36/89/603673689.db2.gz MRJGXEHSWZAQRO-CXAGYDPISA-N -1 0 390.440 2.703 20 5 GFBDRM Cn1c(=O)c2cc3ccccc3cc2nc1S[C@H]1CN(C(=O)[O-])CCC1=O ZINC000830979158 603676268 /nfs/dbraw/zinc/67/62/68/603676268.db2.gz TXYSISKEVPKYQV-INIZCTEOSA-N -1 0 383.429 2.500 20 5 GFBDRM CC(C)(NC(=O)[O-])C(C)(C)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000824029755 603775399 /nfs/dbraw/zinc/77/53/99/603775399.db2.gz MVWKOGRBKFIXFD-UHFFFAOYSA-N -1 0 382.369 2.577 20 5 GFBDRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000832331637 603863969 /nfs/dbraw/zinc/86/39/69/603863969.db2.gz HRNWXOOGBSVWOX-NWDGAFQWSA-N -1 0 390.352 2.514 20 5 GFBDRM 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CN(C[C@@H]1CCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000828197335 603827473 /nfs/dbraw/zinc/82/74/73/603827473.db2.gz BNYZEIUEALTDDR-INIZCTEOSA-N -1 0 378.429 2.701 20 5 GFBDRM CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)[O-])CC1 ZINC000827795047 604040980 /nfs/dbraw/zinc/04/09/80/604040980.db2.gz VKLOTEYUXGSGLC-UHFFFAOYSA-N -1 0 378.429 2.701 20 5 GFBDRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000825271051 604193699 /nfs/dbraw/zinc/19/36/99/604193699.db2.gz DJBSNJXJZGSVOT-WCQYABFASA-N -1 0 375.385 2.513 20 5 GFBDRM Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829876919 604255926 /nfs/dbraw/zinc/25/59/26/604255926.db2.gz IWWGXFGVBJNMNK-HZSPNIEDSA-N -1 0 378.429 2.598 20 5 GFBDRM Cc1noc([C@H](C)N2CCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])CC2)n1 ZINC000833022128 604264130 /nfs/dbraw/zinc/26/41/30/604264130.db2.gz ZADOTNARUBCRCT-VIFPVBQESA-N -1 0 395.803 2.521 20 5 GFBDRM CN(CC(=O)NCc1ccccc1)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830676685 604267541 /nfs/dbraw/zinc/26/75/41/604267541.db2.gz ZMNBJTJABVMOQZ-UHFFFAOYSA-N -1 0 377.784 2.699 20 5 GFBDRM Cn1cc(N2CCC[C@@H](Nc3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])C2)cn1 ZINC000833047141 604269491 /nfs/dbraw/zinc/26/94/91/604269491.db2.gz KRFPMKNLNFHSLQ-SNVBAGLBSA-N -1 0 379.804 2.761 20 5 GFBDRM Cc1nc(N2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000516572210 604274523 /nfs/dbraw/zinc/27/45/23/604274523.db2.gz DYMUERLTAVRFNJ-QGZVFWFLSA-N -1 0 390.827 2.900 20 5 GFBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000829510836 604314738 /nfs/dbraw/zinc/31/47/38/604314738.db2.gz PEPCWHNUYYMMBF-OLZOCXBDSA-N -1 0 379.413 2.636 20 5 GFBDRM COc1ccc(CNC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000829370465 604314901 /nfs/dbraw/zinc/31/49/01/604314901.db2.gz CPYNBNXHKMUSBI-GXTWGEPZSA-N -1 0 379.413 2.636 20 5 GFBDRM O=C([O-])NCc1ccc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000832709975 604386587 /nfs/dbraw/zinc/38/65/87/604386587.db2.gz DOXIDGYGZASOKX-GJZGRUSLSA-N -1 0 388.380 2.900 20 5 GFBDRM COc1ccc(CC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000829342903 604445808 /nfs/dbraw/zinc/44/58/08/604445808.db2.gz UEECRNHPDQRBCK-GFCCVEGCSA-N -1 0 387.392 2.791 20 5 GFBDRM CNc1ccc(C(=O)O[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1[N+](=O)[O-] ZINC000831047117 604541185 /nfs/dbraw/zinc/54/11/85/604541185.db2.gz PMMBSNGNROZJRG-INIZCTEOSA-N -1 0 390.348 2.636 20 5 GFBDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000262090156 604568212 /nfs/dbraw/zinc/56/82/12/604568212.db2.gz LLMZYHQIPMJOKU-HNNXBMFYSA-N -1 0 388.376 2.866 20 5 GFBDRM O=C([O-])c1c2c(sc1NC(=O)CSc1ccc([N+](=O)[O-])cn1)CCC2 ZINC000833116321 604793222 /nfs/dbraw/zinc/79/32/22/604793222.db2.gz PVYAGNMWKPZDSN-UHFFFAOYSA-N -1 0 379.419 2.969 20 5 GFBDRM COc1cc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c([N+](=O)[O-])cc1OC ZINC000262120500 604810730 /nfs/dbraw/zinc/81/07/30/604810730.db2.gz ILXIHOJPZHJNBO-UHFFFAOYSA-N -1 0 386.360 2.509 20 5 GFBDRM CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833432014 604836160 /nfs/dbraw/zinc/83/61/60/604836160.db2.gz HIQKBVMJTCJSCQ-AWEZNQCLSA-N -1 0 378.381 2.629 20 5 GFBDRM COc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000540671785 604850387 /nfs/dbraw/zinc/85/03/87/604850387.db2.gz HLGHIPVEHAAEIM-UHFFFAOYSA-N -1 0 380.740 2.973 20 5 GFBDRM C[C@]1(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC[C@H]1C(=O)[O-] ZINC000833567361 604893015 /nfs/dbraw/zinc/89/30/15/604893015.db2.gz RXNXEPVCDUPMBL-YWZLYKJASA-N -1 0 389.452 2.961 20 5 GFBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000833413568 604916968 /nfs/dbraw/zinc/91/69/68/604916968.db2.gz HWMOGVBRERCYKO-JTQLQIEISA-N -1 0 397.815 2.536 20 5 GFBDRM CC(C)Oc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000833506681 605009431 /nfs/dbraw/zinc/00/94/31/605009431.db2.gz LGDMFLQRBPWYGN-UHFFFAOYSA-N -1 0 381.362 2.848 20 5 GFBDRM O=C([O-])c1ccc(OC[C@@H](O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1 ZINC000833781629 605026675 /nfs/dbraw/zinc/02/66/75/605026675.db2.gz DZXOOYSCPDNILR-KRWDZBQOSA-N -1 0 383.360 2.596 20 5 GFBDRM O=C([O-])C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1cccs1 ZINC000619640169 605029298 /nfs/dbraw/zinc/02/92/98/605029298.db2.gz XYGFTOMCBFJXET-LBPRGKRZSA-N -1 0 386.389 2.788 20 5 GFBDRM CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000592134089 605387425 /nfs/dbraw/zinc/38/74/25/605387425.db2.gz DXUDUGAYPSHKIK-LLVKDONJSA-N -1 0 394.405 2.731 20 5 GFBDRM O=C([O-])N1CC[C@@H](N(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C2CC2)C1 ZINC000831929617 605411499 /nfs/dbraw/zinc/41/14/99/605411499.db2.gz WKQYRPZHGRDMMW-CYBMUJFWSA-N -1 0 382.804 2.675 20 5 GFBDRM CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)cc1[N+](=O)[O-] ZINC000833863152 605488769 /nfs/dbraw/zinc/48/87/69/605488769.db2.gz STIBNJLDNXJSTR-MELADBBJSA-N -1 0 377.397 2.502 20 5 GFBDRM O=C([O-])N1CCC[C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000834097954 605659813 /nfs/dbraw/zinc/65/98/13/605659813.db2.gz FPSWAUYMAHWPHY-CYBMUJFWSA-N -1 0 376.413 2.659 20 5 GFBDRM CCCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCN(C(=O)[O-])CC1 ZINC000826865971 605818581 /nfs/dbraw/zinc/81/85/81/605818581.db2.gz CRNOQNUYPSPBLF-UHFFFAOYSA-N -1 0 379.413 2.527 20 5 GFBDRM O=C([O-])N1CCSC[C@H]1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000834117240 605911049 /nfs/dbraw/zinc/91/10/49/605911049.db2.gz DCXNGOVQNLIANN-OAHLLOKOSA-N -1 0 379.438 2.571 20 5 GFBDRM O=C([O-])N1CCC[C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000834100515 605935374 /nfs/dbraw/zinc/93/53/74/605935374.db2.gz SWZSMKWLMDDDDL-CQSZACIVSA-N -1 0 376.413 2.659 20 5 GFBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)COCC2CCCC2)cc1[N+](=O)[O-] ZINC000835034895 660838912 /nfs/dbraw/zinc/83/89/12/660838912.db2.gz CLHXQYCDZWJGBB-UHFFFAOYSA-N -1 0 390.845 2.568 20 5 GFBDRM CCC1(S(=O)(=O)[N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000835529589 660862362 /nfs/dbraw/zinc/86/23/62/660862362.db2.gz CVBQYUYYJICFAB-UHFFFAOYSA-N -1 0 381.435 2.721 20 5 GFBDRM CCC[C@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)[C@@H]1C(=O)[O-] ZINC000837291870 660983373 /nfs/dbraw/zinc/98/33/73/660983373.db2.gz AROAVHLCQAAIHH-HZMBPMFUSA-N -1 0 390.845 2.821 20 5 GFBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)n1 ZINC000123568637 654759662 /nfs/dbraw/zinc/75/96/62/654759662.db2.gz KJAGXTDHSQFXGX-UHFFFAOYSA-N -1 0 390.204 2.724 20 5 GFBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)cc1C ZINC000060442683 654829931 /nfs/dbraw/zinc/82/99/31/654829931.db2.gz LDIZLILMFBFRCE-UHFFFAOYSA-N -1 0 383.813 2.765 20 5 GFBDRM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(F)nc2)c1 ZINC000131237163 654899945 /nfs/dbraw/zinc/89/99/45/654899945.db2.gz PKXAGDMVOZYSGN-UHFFFAOYSA-N -1 0 376.163 2.692 20 5 GFBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000268712502 654983897 /nfs/dbraw/zinc/98/38/97/654983897.db2.gz KWSKPMFSKHJJQU-UHFFFAOYSA-N -1 0 382.345 2.660 20 5 GFBDRM O=C([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC=CCC1 ZINC000159383166 655114056 /nfs/dbraw/zinc/11/40/56/655114056.db2.gz UQNUGYRRWSXFTD-SECBINFHSA-N -1 0 389.227 2.519 20 5 GFBDRM CCc1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cn1 ZINC000161890002 655128903 /nfs/dbraw/zinc/12/89/03/655128903.db2.gz VMOSKJSGAKKBCJ-UHFFFAOYSA-N -1 0 387.215 2.511 20 5 GFBDRM COC(=O)c1scc(C)c1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000275610075 655244042 /nfs/dbraw/zinc/24/40/42/655244042.db2.gz FXPNMUUKKUGCGM-UHFFFAOYSA-N -1 0 384.435 2.736 20 5 GFBDRM O=C(N[C@H](CO)c1cccc(Br)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119698338 655311482 /nfs/dbraw/zinc/31/14/82/655311482.db2.gz 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