smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1ccccc1[N+](=O)[O-])N1CCC(c2nc3c(nnn3Cc3c(F)cccc3Cl)c(=O)[nH]2)CC1 ZINC000001355350 551647629 /nfs/dbraw/zinc/64/76/29/551647629.db2.gz DGKKHSMHHMZKHD-UHFFFAOYSA-N 0 0 511.901 3.283 40 5 KGBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(nnn3Cc3c(F)cccc3Cl)c(=O)[nH]2)CC1 ZINC000001355369 551647883 /nfs/dbraw/zinc/64/78/83/551647883.db2.gz AQPUWJFWNRIIRM-UHFFFAOYSA-N 0 0 511.901 3.283 40 5 KGBBRN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(c2nc3c(nnn3Cc3c(F)cccc3Cl)c(=O)[nH]2)CC1 ZINC000001355376 551647950 /nfs/dbraw/zinc/64/79/50/551647950.db2.gz JCHNXFXEZISUHO-UHFFFAOYSA-N 0 0 511.901 3.283 40 5 KGBBRN CO[C@@H]1[C@@H](CO)O[C@@H](n2c3c4[nH]c5c(cccc5Cl)c4c4c(c3c3cccc(Cl)c32)C(=O)NC4=O)[C@H](O)[C@@H]1O ZINC000001584367 551685221 /nfs/dbraw/zinc/68/52/21/551685221.db2.gz QEHOIJJIZXRMAN-CCNUMVSGSA-N 0 0 570.385 3.246 40 5 in-vitro KGBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@@H]3[C@H]2C1=O ZINC000002318553 552093262 /nfs/dbraw/zinc/09/32/62/552093262.db2.gz UZNSUDBNVIWVAC-HVHOJJEHSA-N 0 0 536.504 3.078 40 5 KGBBRN Cc1nn(Cc2ccc(C(=O)NCc3ccn(C(=O)c4ccc(Cn5nc(C)c([N+](=O)[O-])c5C)o4)n3)o2)c(C)c1[N+](=O)[O-] ZINC000002796709 552192372 /nfs/dbraw/zinc/19/23/72/552192372.db2.gz IWXIACXZFHPMDW-UHFFFAOYSA-N 0 0 591.541 3.227 40 5 KGBBRN O=C(COc1ccccc1[N+](=O)[O-])OCCN1C(=O)[C@@H]2[C@H]3c4ccccc4C34c3ccccc3[C@@H]4[C@H]2C1=O ZINC000003214136 552306359 /nfs/dbraw/zinc/30/63/59/552306359.db2.gz PNYLSUBREFHZOE-UDNCZDSOSA-N 0 0 510.502 3.312 40 5 KGBBRN Cc1ccc(C(=O)Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000004257241 552453347 /nfs/dbraw/zinc/45/33/47/552453347.db2.gz JCFFDNCDFAQZIC-UHFFFAOYSA-N 0 0 525.539 3.396 40 5 KGBBRN COc1c2c(cc3c1[C@H]([C@H]1OC(=O)c4c1c(I)c(OC)c(OC)c4[N+](=O)[O-])N(C)CC3)OCO2 ZINC000004805051 552487493 /nfs/dbraw/zinc/48/74/93/552487493.db2.gz BMCCSLYWMBVGBY-QAPCUYQASA-N 0 0 584.319 3.395 40 5 KGBBRN COc1c2c(cc3c1[C@@H]([C@H]1OC(=O)c4c1c(I)c(OC)c(OC)c4[N+](=O)[O-])N(C)CC3)OCO2 ZINC000004805052 552487554 /nfs/dbraw/zinc/48/75/54/552487554.db2.gz BMCCSLYWMBVGBY-YJBOKZPZSA-N 0 0 584.319 3.395 40 5 KGBBRN CCSC(SCC)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000004823506 552487789 /nfs/dbraw/zinc/48/77/89/552487789.db2.gz AWGRNQHDEZHLSJ-ODAXIHTASA-N 0 0 619.671 3.474 40 5 KGBBRN CCSC(SCC)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000004823507 552487731 /nfs/dbraw/zinc/48/77/31/552487731.db2.gz AWGRNQHDEZHLSJ-ACESQOTJSA-N 0 0 619.671 3.474 40 5 KGBBRN CCSC(SCC)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000004823509 552487829 /nfs/dbraw/zinc/48/78/29/552487829.db2.gz AWGRNQHDEZHLSJ-SSGKUCQKSA-N 0 0 619.671 3.474 40 5 KGBBRN CCSC(SCC)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000004823510 552487839 /nfs/dbraw/zinc/48/78/39/552487839.db2.gz AWGRNQHDEZHLSJ-KAOXLYBCSA-N 0 0 619.671 3.474 40 5 KGBBRN CC(C)CC[NH2+]C[C@](C)(COC([O-])=NC(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005047613 552492701 /nfs/dbraw/zinc/49/27/01/552492701.db2.gz YJXKZSSBMHPCCI-XMMPIXPASA-N 0 0 515.523 3.194 40 5 KGBBRN Cc1ccc(C(=O)NCc2cccnc2)c2nc3c(C(=O)NCc4cccnc4)c(N)c(=O)c(C)c-3oc12 ZINC000005389701 552500583 /nfs/dbraw/zinc/50/05/83/552500583.db2.gz PMYQURVVXHZXLQ-UHFFFAOYSA-N 0 0 508.538 3.142 40 5 KGBBRN Cc1ccc(C(=O)NCCc2ccccn2)c2nc3c(C(=O)NCCc4ccccn4)c(N)c(=O)c(C)c-3oc12 ZINC000005389702 552500582 /nfs/dbraw/zinc/50/05/82/552500582.db2.gz GXMKGPDOIUUQHB-UHFFFAOYSA-N 0 0 536.592 3.227 40 5 KGBBRN O=C(Nc1nnc2nc(CC(=O)c3cccc([N+](=O)[O-])c3Cl)c(=O)[nH]n21)Nc1ccc(Cl)cc1 ZINC000005479549 552503010 /nfs/dbraw/zinc/50/30/10/552503010.db2.gz XLSNIBDISOLPHL-UHFFFAOYSA-N 0 0 503.262 3.097 40 5 KGBBRN C=Cc1cc(OC)c2c3cc(OC)c4c(O)ccc([C@@H]5O[C@H](C)[C@H](O)[C@@](C)(O)[C@@H]5O)c4c3oc(=O)c2c1 ZINC000005497006 552503931 /nfs/dbraw/zinc/50/39/31/552503931.db2.gz OMDANBMKOUVKAG-AGJBZUSPSA-N 0 0 508.523 3.398 40 5 biogenic,in-vitro KGBBRN C=Cc1cc(OC)c2c3cc(OC)c4c(O)ccc([C@@H]5O[C@@H](C)[C@H](O)[C@@](C)(O)[C@@H]5O)c4c3oc(=O)c2c1 ZINC000005497009 552503834 /nfs/dbraw/zinc/50/38/34/552503834.db2.gz OMDANBMKOUVKAG-GZCCEZQTSA-N 0 0 508.523 3.398 40 5 KGBBRN C=Cc1cc(OC)c2c3cc(OC)c4c(O)ccc([C@@H]5O[C@H](C)[C@@H](O)[C@@](C)(O)[C@@H]5O)c4c3oc(=O)c2c1 ZINC000005497012 552503942 /nfs/dbraw/zinc/50/39/42/552503942.db2.gz OMDANBMKOUVKAG-RKYJIZOOSA-N 0 0 508.523 3.398 40 5 KGBBRN C=Cc1cc(OC)c2c3cc(OC)c4c(O)ccc([C@@H]5O[C@@H](C)[C@@H](O)[C@@](C)(O)[C@@H]5O)c4c3oc(=O)c2c1 ZINC000005497014 552503955 /nfs/dbraw/zinc/50/39/55/552503955.db2.gz OMDANBMKOUVKAG-UHSTWWSLSA-N 0 0 508.523 3.398 40 5 KGBBRN CSCCCNC(=O)c1csc(-c2csc(CCNC(=O)[C@@H](NSc3ccccc3[N+](=O)[O-])[C@@H](C)O)n2)n1 ZINC000005707072 552507215 /nfs/dbraw/zinc/50/72/15/552507215.db2.gz KCBXOXCCOYYXSP-VLIAUNLRSA-N 0 0 596.782 3.363 40 5 KGBBRN COc1ccc(NC(=O)C(=O)Cc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2CC(=O)C(=O)Nc2ccc(OC)cc2OC)c(OC)c1 ZINC000005812087 552510124 /nfs/dbraw/zinc/51/01/24/552510124.db2.gz SIALLFSEWSVREZ-UHFFFAOYSA-N 0 0 610.532 3.038 40 5 KGBBRN COc1cc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2cc1OC ZINC000006014906 552518933 /nfs/dbraw/zinc/51/89/33/552518933.db2.gz DHEOGVLQJDIDFH-XMMPIXPASA-N 0 0 548.604 3.107 40 5 KGBBRN COc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2cc1OC ZINC000006015003 552519259 /nfs/dbraw/zinc/51/92/59/552519259.db2.gz DHEOGVLQJDIDFH-DEOSSOPVSA-N 0 0 548.604 3.107 40 5 KGBBRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006077568 552528974 /nfs/dbraw/zinc/52/89/74/552528974.db2.gz HXWWLSUKAMPXAG-XMMPIXPASA-N 0 0 532.605 3.488 40 5 KGBBRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006077596 552529366 /nfs/dbraw/zinc/52/93/66/552529366.db2.gz KBMMGMOINMLGFC-XMMPIXPASA-N 0 0 546.588 3.208 40 5 KGBBRN CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006077624 552529285 /nfs/dbraw/zinc/52/92/85/552529285.db2.gz DIIZVQSLBSICJL-XMMPIXPASA-N 0 0 532.605 3.488 40 5 KGBBRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006077746 552529259 /nfs/dbraw/zinc/52/92/59/552529259.db2.gz HXWWLSUKAMPXAG-DEOSSOPVSA-N 0 0 532.605 3.488 40 5 KGBBRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006077773 552529338 /nfs/dbraw/zinc/52/93/38/552529338.db2.gz KBMMGMOINMLGFC-DEOSSOPVSA-N 0 0 546.588 3.208 40 5 KGBBRN CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006077807 552529312 /nfs/dbraw/zinc/52/93/12/552529312.db2.gz DIIZVQSLBSICJL-DEOSSOPVSA-N 0 0 532.605 3.488 40 5 KGBBRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006133864 552535466 /nfs/dbraw/zinc/53/54/66/552535466.db2.gz BSQSJSQLSZIVQH-DEOSSOPVSA-N 0 0 532.605 3.488 40 5 KGBBRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006134033 552535885 /nfs/dbraw/zinc/53/58/85/552535885.db2.gz BSQSJSQLSZIVQH-XMMPIXPASA-N 0 0 532.605 3.488 40 5 KGBBRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006135230 552539230 /nfs/dbraw/zinc/53/92/30/552539230.db2.gz YAHYLIWQQZWKPM-OZXSUGGESA-N 0 0 544.616 3.076 40 5 KGBBRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006135242 552539279 /nfs/dbraw/zinc/53/92/79/552539279.db2.gz YAHYLIWQQZWKPM-BVAGGSTKSA-N 0 0 544.616 3.076 40 5 KGBBRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006135343 552539489 /nfs/dbraw/zinc/53/94/89/552539489.db2.gz YAHYLIWQQZWKPM-JYFHCDHNSA-N 0 0 544.616 3.076 40 5 KGBBRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006135356 552539454 /nfs/dbraw/zinc/53/94/54/552539454.db2.gz YAHYLIWQQZWKPM-ZEQKJWHPSA-N 0 0 544.616 3.076 40 5 KGBBRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006162884 552555873 /nfs/dbraw/zinc/55/58/73/552555873.db2.gz KQMRYCSLQGCHIY-VWLOTQADSA-N 0 0 530.589 3.458 40 5 KGBBRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006162938 552555871 /nfs/dbraw/zinc/55/58/71/552555871.db2.gz KQMRYCSLQGCHIY-RUZDIDTESA-N 0 0 530.589 3.458 40 5 KGBBRN COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1 ZINC000006176813 552559321 /nfs/dbraw/zinc/55/93/21/552559321.db2.gz HVNTXXRMGMKMQH-VWLOTQADSA-N 0 0 530.589 3.458 40 5 KGBBRN COc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1 ZINC000006176853 552559267 /nfs/dbraw/zinc/55/92/67/552559267.db2.gz HVNTXXRMGMKMQH-RUZDIDTESA-N 0 0 530.589 3.458 40 5 KGBBRN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006177961 552560614 /nfs/dbraw/zinc/56/06/14/552560614.db2.gz QQINVBLWFVZCLF-OZXSUGGESA-N 0 0 544.616 3.130 40 5 KGBBRN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006177973 552560580 /nfs/dbraw/zinc/56/05/80/552560580.db2.gz QQINVBLWFVZCLF-BVAGGSTKSA-N 0 0 544.616 3.130 40 5 KGBBRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006178080 552560979 /nfs/dbraw/zinc/56/09/79/552560979.db2.gz QQINVBLWFVZCLF-JYFHCDHNSA-N 0 0 544.616 3.130 40 5 KGBBRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000006178099 552560941 /nfs/dbraw/zinc/56/09/41/552560941.db2.gz QQINVBLWFVZCLF-ZEQKJWHPSA-N 0 0 544.616 3.130 40 5 KGBBRN COc1ccc(Cl)cc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000006280918 552576963 /nfs/dbraw/zinc/57/69/63/552576963.db2.gz NBSHEDDLVBFMFD-UHFFFAOYSA-N 0 0 504.952 3.472 40 5 KGBBRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OCO3 ZINC000006444879 552587360 /nfs/dbraw/zinc/58/73/60/552587360.db2.gz YEKFBBCBHRKFSS-VWLOTQADSA-N 0 0 544.572 3.178 40 5 KGBBRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OCO3 ZINC000006444904 552587304 /nfs/dbraw/zinc/58/73/04/552587304.db2.gz YEKFBBCBHRKFSS-RUZDIDTESA-N 0 0 544.572 3.178 40 5 KGBBRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCCO3 ZINC000006445692 552588259 /nfs/dbraw/zinc/58/82/59/552588259.db2.gz XEKKQQMGVXUIEZ-UHFFFAOYSA-N 0 0 551.533 3.327 40 5 KGBBRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1[N+](=O)[O-])OCO3 ZINC000006446155 552588626 /nfs/dbraw/zinc/58/86/26/552588626.db2.gz XXSOWKHNAPRZPF-UHFFFAOYSA-N 0 0 537.506 3.285 40 5 KGBBRN COc1cc([C@@H]2OC[C@@]3(OC(C)=O)[C@@H]2CO[C@@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC ZINC000008382293 291788217 /nfs/dbraw/zinc/78/82/17/291788217.db2.gz BFIYZWMHVRDNFJ-GWGMASDLSA-N 0 0 534.474 3.298 40 5 biogenic,in-vitro KGBBRN COc1ccc2c3nccc4c5cc(OCC(=O)NCCCn6ccnc6)ccc5n(c43)c(=O)c2c1OC ZINC000008791882 553147252 /nfs/dbraw/zinc/14/72/52/553147252.db2.gz PNGKPYWCGMIZKR-UHFFFAOYSA-N 0 0 511.538 3.391 40 5 biogenic KGBBRN CCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 ZINC000008832702 553158341 /nfs/dbraw/zinc/15/83/41/553158341.db2.gz PHVIEHJGFWMIHP-UHFFFAOYSA-N 0 0 513.620 3.057 40 5 KGBBRN COC(=O)c1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000008833012 553158985 /nfs/dbraw/zinc/15/89/85/553158985.db2.gz XPRBOKUSWGOSBY-UHFFFAOYSA-N 0 0 500.533 3.285 40 5 KGBBRN O=C(NC(=S)Nc1ccc(I)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008833026 553159330 /nfs/dbraw/zinc/15/93/30/553159330.db2.gz RQZAGQNQSCMABU-UHFFFAOYSA-N 0 0 512.329 3.163 40 5 KGBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008835233 553161816 /nfs/dbraw/zinc/16/18/16/553161816.db2.gz ODBYXOBPAVJMMD-UHFFFAOYSA-N 0 0 510.326 3.229 40 5 KGBBRN COc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)C(C)C ZINC000008835609 553162313 /nfs/dbraw/zinc/16/23/13/553162313.db2.gz FDFYXXIOTCYLGZ-UHFFFAOYSA-N 0 0 501.565 3.161 40 5 KGBBRN O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000008837921 553164617 /nfs/dbraw/zinc/16/46/17/553164617.db2.gz SQRGCEZSXCVBFE-KIHHCIJBSA-N 0 0 506.478 3.070 40 5 KGBBRN O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@@H]3[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000008837922 553164644 /nfs/dbraw/zinc/16/46/44/553164644.db2.gz SQRGCEZSXCVBFE-LWSSLDFYSA-N 0 0 506.478 3.070 40 5 KGBBRN CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000008897510 553179897 /nfs/dbraw/zinc/17/98/97/553179897.db2.gz FIQXDJVETJEGGY-UHFFFAOYSA-N 0 0 510.620 3.380 40 5 KGBBRN COc1cc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@]4(C(=O)Nc5c4cc(C)cc5Cl)[C@H]3C2=O)c(C)cc1[N+](=O)[O-] ZINC000009012679 553199881 /nfs/dbraw/zinc/19/98/81/553199881.db2.gz QFRXLTANGLMRNN-NLJLEJFHSA-N 0 0 510.934 3.305 40 5 KGBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cccnc1 ZINC000009215729 553221286 /nfs/dbraw/zinc/22/12/86/553221286.db2.gz ZLKUIOMCUBWBHK-BGABXYSRSA-N 0 0 503.559 3.086 40 5 KGBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1cccc(F)c1 ZINC000009281224 553233175 /nfs/dbraw/zinc/23/31/75/553233175.db2.gz UQZLRAORHGYFCP-BGABXYSRSA-N 0 0 506.534 3.441 40 5 KGBBRN COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4c2ccc(Cl)c4C)N2CCC[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000009289784 553234463 /nfs/dbraw/zinc/23/44/63/553234463.db2.gz QAQJDDJXOCYEIO-FQFSEDLOSA-N 0 0 510.934 3.305 40 5 KGBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(Br)cc31)N1CCC[C@@H]21 ZINC000009357720 553247005 /nfs/dbraw/zinc/24/70/05/553247005.db2.gz WNYNYQIBABOJEV-KEXUJGGDSA-N 0 0 511.332 3.097 40 5 KGBBRN O=C(CNC(=O)c1ccc(Cl)cc1)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010000699 553325149 /nfs/dbraw/zinc/32/51/49/553325149.db2.gz PDUBAUBBTRMHPN-XMMPIXPASA-N 0 0 509.902 3.262 40 5 KGBBRN O=C(CNC(=O)c1ccc(Cl)cc1)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010000700 553325159 /nfs/dbraw/zinc/32/51/59/553325159.db2.gz PDUBAUBBTRMHPN-DEOSSOPVSA-N 0 0 509.902 3.262 40 5 KGBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nn12 ZINC000010010291 553325497 /nfs/dbraw/zinc/32/54/97/553325497.db2.gz GJQCXDMHXZNBOD-UHFFFAOYSA-N 0 0 509.548 3.421 40 5 KGBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nn12 ZINC000010010292 553325705 /nfs/dbraw/zinc/32/57/05/553325705.db2.gz YDLUWZHVPPEBFC-UHFFFAOYSA-N 0 0 509.548 3.421 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)S(C)(=O)=O ZINC000010315337 553333257 /nfs/dbraw/zinc/33/32/57/553333257.db2.gz XYKRCOMLBJCCTJ-UHFFFAOYSA-N 0 0 500.499 3.037 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(I)cc1C)S(C)(=O)=O ZINC000010324690 553333427 /nfs/dbraw/zinc/33/34/27/553333427.db2.gz REFGIBOBIDPMKK-UHFFFAOYSA-N 0 0 503.318 3.221 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)S(C)(=O)=O ZINC000010362298 553335513 /nfs/dbraw/zinc/33/55/13/553335513.db2.gz CEEAFRDIDAGIHG-UHFFFAOYSA-N 0 0 518.573 3.109 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)S(C)(=O)=O ZINC000010367443 553335902 /nfs/dbraw/zinc/33/59/02/553335902.db2.gz LNMGDXQJYJMDST-UHFFFAOYSA-N 0 0 510.572 3.280 40 5 KGBBRN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000010935359 553338367 /nfs/dbraw/zinc/33/83/67/553338367.db2.gz GFMXSQMOWUGSDK-UHFFFAOYSA-N 0 0 518.983 3.458 40 5 KGBBRN CCOCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1ccc(OCC)cc1 ZINC000011690866 553340259 /nfs/dbraw/zinc/34/02/59/553340259.db2.gz OZAWCAJFGVVWEK-QCWLDUFUSA-N 0 0 518.570 3.392 40 5 KGBBRN Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000012493736 553381690 /nfs/dbraw/zinc/38/16/90/553381690.db2.gz ZVXIFUFJRBEJLU-UHFFFAOYSA-N 0 0 502.578 3.072 40 5 KGBBRN C=C/C=C/OCC(=O)/N=c1\c(C(=O)OCC)cc2c(nc3c(C)cccn3c2=O)n1CCCOC(C)C ZINC000013029531 553439419 /nfs/dbraw/zinc/43/94/19/553439419.db2.gz DCPZKKZAWMEQMW-TXQWNLJWSA-N 0 0 508.575 3.093 40 5 KGBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)/C=C/C=C/SC ZINC000013029541 553439509 /nfs/dbraw/zinc/43/95/09/553439509.db2.gz PLPIBNOKVIZVCS-UNPVZQKJSA-N 0 0 508.600 3.174 40 5 KGBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)/C=C/C=C/SC ZINC000013029545 553439500 /nfs/dbraw/zinc/43/95/00/553439500.db2.gz PLPIBNOKVIZVCS-RDLMJYMGSA-N 0 0 508.600 3.174 40 5 KGBBRN O=C(Nc1cccc(OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000013305743 553458245 /nfs/dbraw/zinc/45/82/45/553458245.db2.gz QSNFXMRYRGTQPZ-UHFFFAOYSA-N 0 0 511.512 3.087 40 5 KGBBRN C[C@]12N=c3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n3[C@H](c3ccccc3O1)[C@@H]2C(=O)Nc1ccccc1 ZINC000013361639 553458587 /nfs/dbraw/zinc/45/85/87/553458587.db2.gz KOYHPKWQYPBZJT-FMGKIDOPSA-N 0 0 512.547 3.233 40 5 KGBBRN C[C@]12N=c3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n3[C@H](c3ccccc3O1)[C@H]2C(=O)Nc1ccccc1 ZINC000013361641 553458561 /nfs/dbraw/zinc/45/85/61/553458561.db2.gz KOYHPKWQYPBZJT-WKCANSHNSA-N 0 0 512.547 3.233 40 5 KGBBRN O=C(CSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000013564548 553472261 /nfs/dbraw/zinc/47/22/61/553472261.db2.gz WCDGJXXABFYTJG-UHFFFAOYSA-N 0 0 502.553 3.279 40 5 KGBBRN COc1ccccc1N1CCN(C(=O)CSc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)CC1 ZINC000013564551 553472272 /nfs/dbraw/zinc/47/22/72/553472272.db2.gz UUSOHWPWJIKBCY-UHFFFAOYSA-N 0 0 514.589 3.148 40 5 KGBBRN C[C@@H](Nc1cc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000013633100 553478723 /nfs/dbraw/zinc/47/87/23/553478723.db2.gz SHCCLBADGWQVFZ-MWMKELGTSA-N 0 0 533.695 3.311 40 5 KGBBRN C[C@H](Nc1cc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000013633103 553478763 /nfs/dbraw/zinc/47/87/63/553478763.db2.gz SHCCLBADGWQVFZ-UREPRSOHSA-N 0 0 533.695 3.311 40 5 KGBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 ZINC000013901004 553495412 /nfs/dbraw/zinc/49/54/12/553495412.db2.gz CGDPZOOQPYFMHE-UHFFFAOYSA-N 0 0 502.435 3.145 40 5 KGBBRN CCOC(=O)c1c(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)sc2c1CCCC2 ZINC000014154396 553504137 /nfs/dbraw/zinc/50/41/37/553504137.db2.gz VGQOSASKFONMPD-UHFFFAOYSA-N 0 0 511.578 3.125 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1c(F)cccc1Cl)S(C)(=O)=O ZINC000014155783 553505399 /nfs/dbraw/zinc/50/53/99/553505399.db2.gz CLFXZXGIFODMTG-UHFFFAOYSA-N 0 0 505.977 3.212 40 5 KGBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014274397 553507364 /nfs/dbraw/zinc/50/73/64/553507364.db2.gz XPMGFSQVXDYOBJ-UHFFFAOYSA-N 0 0 505.984 3.048 40 5 KGBBRN O=C(NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014274405 553507417 /nfs/dbraw/zinc/50/74/17/553507417.db2.gz BZHIAFZCHYMYIG-UHFFFAOYSA-N 0 0 503.544 3.292 40 5 KGBBRN O=C(NC(=S)Nc1ccccc1I)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014274425 553507370 /nfs/dbraw/zinc/50/73/70/553507370.db2.gz RWIPSHCGNZKHRK-UHFFFAOYSA-N 0 0 512.329 3.163 40 5 KGBBRN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CCC2 ZINC000014274438 553507441 /nfs/dbraw/zinc/50/74/41/553507441.db2.gz AYTPWSNVODUTSG-UHFFFAOYSA-N 0 0 504.590 3.285 40 5 KGBBRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000014275677 553508622 /nfs/dbraw/zinc/50/86/22/553508622.db2.gz RHIZWPVVEMQKHB-UHFFFAOYSA-N 0 0 500.562 3.126 40 5 KGBBRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000014276723 553509639 /nfs/dbraw/zinc/50/96/39/553509639.db2.gz QMTGLIUWJDLRAL-UHFFFAOYSA-N 0 0 505.984 3.442 40 5 KGBBRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000014276771 553509632 /nfs/dbraw/zinc/50/96/32/553509632.db2.gz GXFZRAYHHDTYIW-UHFFFAOYSA-N 0 0 510.620 3.380 40 5 KGBBRN CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000014276865 553509716 /nfs/dbraw/zinc/50/97/16/553509716.db2.gz QQCGFVSAJIDVJS-UHFFFAOYSA-N 0 0 510.620 3.380 40 5 KGBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(C)=O)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000014276927 553509723 /nfs/dbraw/zinc/50/97/23/553509723.db2.gz JSZJOFJRMMVSLA-UHFFFAOYSA-N 0 0 505.984 3.442 40 5 KGBBRN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000014279251 553511265 /nfs/dbraw/zinc/51/12/65/553511265.db2.gz ZWISPAZJPCPMHU-UHFFFAOYSA-N 0 0 501.971 3.396 40 5 KGBBRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014291007 553511652 /nfs/dbraw/zinc/51/16/52/553511652.db2.gz QXMBDNFEVDJTGV-UHFFFAOYSA-N 0 0 505.531 3.239 40 5 KGBBRN COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@]32C(=O)Nc3c2cc(C)cc3Cl)c(C)cc1[N+](=O)[O-] ZINC000016010407 553550635 /nfs/dbraw/zinc/55/06/35/553550635.db2.gz QFRXLTANGLMRNN-SDMYACPNSA-N 0 0 510.934 3.305 40 5 KGBBRN COc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 ZINC000016215664 553556880 /nfs/dbraw/zinc/55/68/80/553556880.db2.gz MGNRMOKPAFHYLO-UHFFFAOYSA-N 0 0 517.472 3.326 40 5 KGBBRN COc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000016227684 553557513 /nfs/dbraw/zinc/55/75/13/553557513.db2.gz YHQIQFKBYZCAKB-UHFFFAOYSA-N 0 0 513.454 3.367 40 5 KGBBRN O=C(NC(=S)Nc1ccc(I)cn1)c1cc([N+](=O)[O-])ccc1Br ZINC000016385728 553562041 /nfs/dbraw/zinc/56/20/41/553562041.db2.gz YNFZKEJTVAABME-UHFFFAOYSA-N 0 0 507.107 3.484 40 5 KGBBRN CC(C)CC[NH2+]C[C@@](C)(COC([O-])=NC(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000016921520 553583938 /nfs/dbraw/zinc/58/39/38/553583938.db2.gz YJXKZSSBMHPCCI-DEOSSOPVSA-N 0 0 515.523 3.194 40 5 KGBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000018167099 553606835 /nfs/dbraw/zinc/60/68/35/553606835.db2.gz ZRJWELUCTUFVLP-FSSWDIPSSA-N 0 0 506.427 3.268 40 5 KGBBRN COc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000019856562 553627541 /nfs/dbraw/zinc/62/75/41/553627541.db2.gz BBULUWCVLSCDGW-UHFFFAOYSA-N 0 0 513.528 3.152 40 5 KGBBRN Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c12 ZINC000019973061 553650861 /nfs/dbraw/zinc/65/08/61/553650861.db2.gz FMFDVVNATOCGIV-HSZRJFAPSA-N 0 0 502.579 3.398 40 5 KGBBRN Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c12 ZINC000019973062 553650793 /nfs/dbraw/zinc/65/07/93/553650793.db2.gz FMFDVVNATOCGIV-QHCPKHFHSA-N 0 0 502.579 3.398 40 5 KGBBRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000020082114 553680864 /nfs/dbraw/zinc/68/08/64/553680864.db2.gz BVQDKCVBMDPMCK-HSZRJFAPSA-N 0 0 502.579 3.398 40 5 KGBBRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000020082117 553680836 /nfs/dbraw/zinc/68/08/36/553680836.db2.gz BVQDKCVBMDPMCK-QHCPKHFHSA-N 0 0 502.579 3.398 40 5 KGBBRN Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1 ZINC000020082560 553682162 /nfs/dbraw/zinc/68/21/62/553682162.db2.gz GJAYTQNASIXLNT-HSZRJFAPSA-N 0 0 502.579 3.398 40 5 KGBBRN Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1 ZINC000020082563 553682143 /nfs/dbraw/zinc/68/21/43/553682143.db2.gz GJAYTQNASIXLNT-QHCPKHFHSA-N 0 0 502.579 3.398 40 5 KGBBRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000020083792 553684895 /nfs/dbraw/zinc/68/48/95/553684895.db2.gz DWLWWLUGWYMPGK-HSZRJFAPSA-N 0 0 518.578 3.098 40 5 KGBBRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000020083795 553684776 /nfs/dbraw/zinc/68/47/76/553684776.db2.gz DWLWWLUGWYMPGK-QHCPKHFHSA-N 0 0 518.578 3.098 40 5 KGBBRN COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020153151 553597421 /nfs/dbraw/zinc/59/74/21/553597421.db2.gz KGGBCDMIPGJMLV-UHFFFAOYSA-N 0 0 512.544 3.319 40 5 KGBBRN COc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1-c1ccc(CO)o1 ZINC000020153155 553597509 /nfs/dbraw/zinc/59/75/09/553597509.db2.gz QCAXFFVOWRZCNP-UHFFFAOYSA-N 0 0 512.544 3.319 40 5 KGBBRN COc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 ZINC000020153160 553597418 /nfs/dbraw/zinc/59/74/18/553597418.db2.gz FKVSBNPCOUYXRL-UHFFFAOYSA-N 0 0 512.544 3.319 40 5 KGBBRN COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000020153323 553597962 /nfs/dbraw/zinc/59/79/62/553597962.db2.gz QQYLLHLWZJSQPC-UHFFFAOYSA-N 0 0 512.544 3.319 40 5 KGBBRN COc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1-c1ccc(CO)o1 ZINC000020153327 553598045 /nfs/dbraw/zinc/59/80/45/553598045.db2.gz FWCMIBQQQIJJOG-UHFFFAOYSA-N 0 0 512.544 3.319 40 5 KGBBRN COc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1-c1ccc(CO)o1 ZINC000020153332 553598056 /nfs/dbraw/zinc/59/80/56/553598056.db2.gz OYDKMGMALVETSS-UHFFFAOYSA-N 0 0 512.544 3.319 40 5 KGBBRN COc1ccccc1N1CCN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000020239083 553624574 /nfs/dbraw/zinc/62/45/74/553624574.db2.gz GPVCXKYPVFCASJ-UHFFFAOYSA-N 0 0 510.572 3.148 40 5 KGBBRN Cc1c(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000020239119 553624636 /nfs/dbraw/zinc/62/46/36/553624636.db2.gz JUTMOFXNFRGAFD-UHFFFAOYSA-N 0 0 521.555 3.227 40 5 KGBBRN COc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000020239369 553624886 /nfs/dbraw/zinc/62/48/86/553624886.db2.gz WCISUBXQBWOYLD-UHFFFAOYSA-N 0 0 524.599 3.456 40 5 KGBBRN COc1ccc(N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000020239378 553625161 /nfs/dbraw/zinc/62/51/61/553625161.db2.gz WGGBGHUFJYWOKG-UHFFFAOYSA-N 0 0 516.601 3.411 40 5 KGBBRN COc1ccc(CCNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000020239385 553625130 /nfs/dbraw/zinc/62/51/30/553625130.db2.gz RCBRSUZUOUOCMK-UHFFFAOYSA-N 0 0 513.572 3.475 40 5 KGBBRN COc1ccccc1N1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000020451980 553651628 /nfs/dbraw/zinc/65/16/28/553651628.db2.gz RZVROEPCCANVPV-UHFFFAOYSA-N 0 0 510.572 3.148 40 5 KGBBRN COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000020452015 553651638 /nfs/dbraw/zinc/65/16/38/553651638.db2.gz FMBXKUWUGAFFHE-UHFFFAOYSA-N 0 0 511.556 3.392 40 5 KGBBRN COc1ccc(CNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000020452018 553651679 /nfs/dbraw/zinc/65/16/79/553651679.db2.gz VNBCEURMURKFFF-UHFFFAOYSA-N 0 0 515.544 3.132 40 5 KGBBRN COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000020452022 553651604 /nfs/dbraw/zinc/65/16/04/553651604.db2.gz YJDGWQKTTFLPLG-UHFFFAOYSA-N 0 0 515.500 3.175 40 5 KGBBRN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020801055 553698268 /nfs/dbraw/zinc/69/82/68/553698268.db2.gz PKYZVGXIGGYRHX-WOJBJXKFSA-N 0 0 519.480 3.142 40 5 KGBBRN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020801059 553698341 /nfs/dbraw/zinc/69/83/41/553698341.db2.gz PKYZVGXIGGYRHX-VQTJNVASSA-N 0 0 519.480 3.142 40 5 KGBBRN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020801063 553698229 /nfs/dbraw/zinc/69/82/29/553698229.db2.gz PKYZVGXIGGYRHX-UXHICEINSA-N 0 0 519.480 3.142 40 5 KGBBRN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020801067 553698384 /nfs/dbraw/zinc/69/83/84/553698384.db2.gz PKYZVGXIGGYRHX-PMACEKPBSA-N 0 0 519.480 3.142 40 5 KGBBRN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020801276 553698380 /nfs/dbraw/zinc/69/83/80/553698380.db2.gz YWAZZZDCZRABTN-WOJBJXKFSA-N 0 0 519.480 3.142 40 5 KGBBRN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020801280 553698321 /nfs/dbraw/zinc/69/83/21/553698321.db2.gz YWAZZZDCZRABTN-VQTJNVASSA-N 0 0 519.480 3.142 40 5 KGBBRN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020801284 553698217 /nfs/dbraw/zinc/69/82/17/553698217.db2.gz YWAZZZDCZRABTN-UXHICEINSA-N 0 0 519.480 3.142 40 5 KGBBRN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020801288 553698373 /nfs/dbraw/zinc/69/83/73/553698373.db2.gz YWAZZZDCZRABTN-PMACEKPBSA-N 0 0 519.480 3.142 40 5 KGBBRN Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(N3CC[N+]([O-])(CCO)CC3)nc(C)n2)s1 ZINC000022055426 553724789 /nfs/dbraw/zinc/72/47/89/553724789.db2.gz UEFNEEZCTQCRAW-UHFFFAOYSA-N 0 0 504.016 3.326 40 5 in-vitro KGBBRN COc1cccc(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000022278937 553736506 /nfs/dbraw/zinc/73/65/06/553736506.db2.gz YJAYZOLMQWWBNC-UHFFFAOYSA-N 0 0 501.517 3.455 40 5 KGBBRN COc1ccc(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000022278941 553736503 /nfs/dbraw/zinc/73/65/03/553736503.db2.gz OAGWUUZSANNSBY-UHFFFAOYSA-N 0 0 501.517 3.455 40 5 KGBBRN COc1ccc(N(CC(=O)Nc2ccccc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000022278973 553736510 /nfs/dbraw/zinc/73/65/10/553736510.db2.gz AENPPVSBTNIIFP-UHFFFAOYSA-N 0 0 501.517 3.455 40 5 KGBBRN C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000022313653 553737132 /nfs/dbraw/zinc/73/71/32/553737132.db2.gz LASKIKAZIJFGDF-QGZVFWFLSA-N 0 0 517.585 3.071 40 5 KGBBRN C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000022313657 553737126 /nfs/dbraw/zinc/73/71/26/553737126.db2.gz LASKIKAZIJFGDF-KRWDZBQOSA-N 0 0 517.585 3.071 40 5 KGBBRN C[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000022314192 553737185 /nfs/dbraw/zinc/73/71/85/553737185.db2.gz SGTNQALBPMOUGD-QGZVFWFLSA-N 0 0 517.585 3.071 40 5 KGBBRN C[C@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000022314200 553737089 /nfs/dbraw/zinc/73/70/89/553737089.db2.gz SGTNQALBPMOUGD-KRWDZBQOSA-N 0 0 517.585 3.071 40 5 KGBBRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 ZINC000022822541 553751852 /nfs/dbraw/zinc/75/18/52/553751852.db2.gz DXCYOMIOJBKLCI-UHFFFAOYSA-N 0 0 500.562 3.126 40 5 KGBBRN COc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)C(C)C ZINC000022824439 553752138 /nfs/dbraw/zinc/75/21/38/553752138.db2.gz JFLWCURECNADHJ-UHFFFAOYSA-N 0 0 501.565 3.161 40 5 KGBBRN CCC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)CC1 ZINC000022824999 553752383 /nfs/dbraw/zinc/75/23/83/553752383.db2.gz NFAFTWFAVRXSEP-UHFFFAOYSA-N 0 0 501.971 3.396 40 5 KGBBRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000022825004 553752362 /nfs/dbraw/zinc/75/23/62/553752362.db2.gz QRMKRKGXGYJGHW-UHFFFAOYSA-N 0 0 501.971 3.396 40 5 KGBBRN COc1cc2sc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nc2c(OC)c1 ZINC000022827102 553753277 /nfs/dbraw/zinc/75/32/77/553753277.db2.gz URZPISOHDDCENT-UHFFFAOYSA-N 0 0 503.562 3.185 40 5 KGBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022829993 553754528 /nfs/dbraw/zinc/75/45/28/553754528.db2.gz SASYUCOAFLCVHI-UHFFFAOYSA-N 0 0 505.984 3.048 40 5 KGBBRN O=C(NC(=S)Nc1cc(Cl)ccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022830002 553754693 /nfs/dbraw/zinc/75/46/93/553754693.db2.gz ASNPOSWPPVIIRB-UHFFFAOYSA-N 0 0 505.984 3.048 40 5 KGBBRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022830007 553754677 /nfs/dbraw/zinc/75/46/77/553754677.db2.gz QMOZURYTJUNGNX-UHFFFAOYSA-N 0 0 505.984 3.048 40 5 KGBBRN O=C(c1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000022833681 553756224 /nfs/dbraw/zinc/75/62/24/553756224.db2.gz IFJJYMUQZMRDKH-UHFFFAOYSA-N 0 0 509.441 3.321 40 5 KGBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022834390 553756227 /nfs/dbraw/zinc/75/62/27/553756227.db2.gz MGPPANOVRZQUHU-UHFFFAOYSA-N 0 0 510.326 3.229 40 5 KGBBRN O=C(NC(=S)Nc1ccccc1I)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022836135 553757076 /nfs/dbraw/zinc/75/70/76/553757076.db2.gz HIFXZYGSASIJFZ-UHFFFAOYSA-N 0 0 512.329 3.163 40 5 KGBBRN O=C(NC(=S)Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022836139 553757070 /nfs/dbraw/zinc/75/70/70/553757070.db2.gz VYICAQFAQIEVOM-UHFFFAOYSA-N 0 0 512.329 3.163 40 5 KGBBRN CS(=O)(=O)CC[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000024522227 553790816 /nfs/dbraw/zinc/79/08/16/553790816.db2.gz MYCQHIMGPQGHCI-KRWDZBQOSA-N 0 0 515.327 3.044 40 5 KGBBRN CS(=O)(=O)CC[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000024522231 553790800 /nfs/dbraw/zinc/79/08/00/553790800.db2.gz MYCQHIMGPQGHCI-QGZVFWFLSA-N 0 0 515.327 3.044 40 5 KGBBRN CS(=O)(=O)CC[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000024522244 553790836 /nfs/dbraw/zinc/79/08/36/553790836.db2.gz YMOBIPRNTDFBJF-KRWDZBQOSA-N 0 0 515.327 3.044 40 5 KGBBRN CS(=O)(=O)CC[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000024522247 553790759 /nfs/dbraw/zinc/79/07/59/553790759.db2.gz YMOBIPRNTDFBJF-QGZVFWFLSA-N 0 0 515.327 3.044 40 5 KGBBRN O=C(COc1ccccc1[N+](=O)[O-])OCCN1C(=O)[C@@H]2[C@@H]3c4ccccc4C34c3ccccc3[C@@H]4[C@H]2C1=O ZINC000025501917 553809512 /nfs/dbraw/zinc/80/95/12/553809512.db2.gz PNYLSUBREFHZOE-VWOKSHPVSA-N 0 0 510.502 3.312 40 5 KGBBRN C[C@@]12N=c3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n3[C@@H](c3ccccc3O1)[C@@H]2C(=O)Nc1ccccc1 ZINC000026570626 553819451 /nfs/dbraw/zinc/81/94/51/553819451.db2.gz KOYHPKWQYPBZJT-RMVCGKRESA-N 0 0 512.547 3.233 40 5 KGBBRN O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000032124629 553865552 /nfs/dbraw/zinc/86/55/52/553865552.db2.gz HFDJTAXTSFELQX-LSCVHKIXSA-N 0 0 503.514 3.083 40 5 KGBBRN O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000032124760 553865953 /nfs/dbraw/zinc/86/59/53/553865953.db2.gz AQISTGHASHTMHF-GRSHGNNSSA-N 0 0 517.541 3.125 40 5 KGBBRN Cn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000033409320 553959007 /nfs/dbraw/zinc/95/90/07/553959007.db2.gz UFTAZKAZMYNYJI-UHFFFAOYSA-N 0 0 505.354 3.147 40 5 KGBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccc2ccccc2c1 ZINC000033470017 553960765 /nfs/dbraw/zinc/96/07/65/553960765.db2.gz JBYLEORMMXHUPF-UHFFFAOYSA-N 0 0 505.600 3.422 40 5 KGBBRN COc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1OC ZINC000033687511 553968337 /nfs/dbraw/zinc/96/83/37/553968337.db2.gz RYLZRTBZPSQISB-UHFFFAOYSA-N 0 0 513.620 3.439 40 5 KGBBRN COc1c(C)cc(Br)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000033721234 553970424 /nfs/dbraw/zinc/97/04/24/553970424.db2.gz RNKXQMKRRXWBIT-UHFFFAOYSA-N 0 0 519.396 3.473 40 5 KGBBRN COc1cccc(OC)c1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000033876797 553975758 /nfs/dbraw/zinc/97/57/58/553975758.db2.gz TZKFFVDASCHKRG-UHFFFAOYSA-N 0 0 513.620 3.439 40 5 KGBBRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000033879942 553975748 /nfs/dbraw/zinc/97/57/48/553975748.db2.gz ZSINDVMGLQYZCJ-UHFFFAOYSA-N 0 0 505.984 3.442 40 5 KGBBRN C=Cc1cc(OC)c2c3cc(OC)c4c(O)ccc([C@@H]5O[C@H](C)[C@H](O)[C@](C)(O)[C@@H]5O)c4c3oc(=O)c2c1 ZINC000034173069 553980794 /nfs/dbraw/zinc/98/07/94/553980794.db2.gz OMDANBMKOUVKAG-LTUQMRHISA-N 0 0 508.523 3.398 40 5 biogenic,in-vitro KGBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O ZINC000034719201 553996223 /nfs/dbraw/zinc/99/62/23/553996223.db2.gz WNYNYQIBABOJEV-GKAYAJSDSA-N 0 0 511.332 3.097 40 5 KGBBRN COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 ZINC000034888471 554023153 /nfs/dbraw/zinc/02/31/53/554023153.db2.gz OGIXDZXWKBUAAR-UHFFFAOYSA-N 0 0 504.956 3.089 40 5 KGBBRN CCCCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1 ZINC000035144841 554035512 /nfs/dbraw/zinc/03/55/12/554035512.db2.gz MGWLDFMBCNOHDX-UHFFFAOYSA-N 0 0 527.647 3.447 40 5 KGBBRN COc1cc(N2C(=O)[C@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] ZINC000035844081 554082480 /nfs/dbraw/zinc/08/24/80/554082480.db2.gz QAQJDDJXOCYEIO-KGIZNGARSA-N 0 0 510.934 3.305 40 5 KGBBRN COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@@]32C(=O)Nc3c2cc(C)cc3Cl)c(C)cc1[N+](=O)[O-] ZINC000035851841 554084074 /nfs/dbraw/zinc/08/40/74/554084074.db2.gz QFRXLTANGLMRNN-SJFBNKFASA-N 0 0 510.934 3.305 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(F)F)cc1 ZINC000036611983 554225732 /nfs/dbraw/zinc/22/57/32/554225732.db2.gz ILWBFTSXGCMPLC-VOMPUTFMSA-N 0 0 515.494 3.308 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(F)F)cc1 ZINC000036611984 554225763 /nfs/dbraw/zinc/22/57/63/554225763.db2.gz ILWBFTSXGCMPLC-YWFITGJYSA-N 0 0 515.494 3.308 40 5 KGBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)NCCCN6CCOCC6)ccc5n(c43)c(=O)c2c1OC ZINC000038140759 554264158 /nfs/dbraw/zinc/26/41/58/554264158.db2.gz XVGYVEZLIFWYBY-SFHVURJKSA-N 0 0 544.608 3.215 40 5 biogenic KGBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)NCCCN6CCOCC6)ccc5n(c43)c(=O)c2c1OC ZINC000038140760 554264143 /nfs/dbraw/zinc/26/41/43/554264143.db2.gz XVGYVEZLIFWYBY-GOSISDBHSA-N 0 0 544.608 3.215 40 5 biogenic KGBBRN C[C@@]12N=c3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n3[C@@H](c3ccccc3O1)[C@H]2C(=O)Nc1ccccc1 ZINC000043773454 554299973 /nfs/dbraw/zinc/29/99/73/554299973.db2.gz KOYHPKWQYPBZJT-DWDCJTCESA-N 0 0 512.547 3.233 40 5 KGBBRN COc1ccc(Cl)cc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044803014 554303752 /nfs/dbraw/zinc/30/37/52/554303752.db2.gz SPMQZERPARKLRI-UHFFFAOYSA-N 0 0 504.952 3.472 40 5 KGBBRN COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)c(OC)c1 ZINC000044885663 554308102 /nfs/dbraw/zinc/30/81/02/554308102.db2.gz NMBVFWDGEYYBKW-UHFFFAOYSA-N 0 0 507.546 3.355 40 5 KGBBRN CC1CCN(c2ccc(C(=O)Nc3ccccc3N3CCN(S(C)(=O)=O)CC3)cc2[N+](=O)[O-])CC1 ZINC000057313808 554354310 /nfs/dbraw/zinc/35/43/10/554354310.db2.gz YNLIEGZQFRZRCU-UHFFFAOYSA-N 0 0 501.609 3.165 40 5 KGBBRN COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000057328209 554356495 /nfs/dbraw/zinc/35/64/95/554356495.db2.gz UCRIURCGPKUBCO-UHFFFAOYSA-N 0 0 527.603 3.335 40 5 KGBBRN O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000057328221 554356443 /nfs/dbraw/zinc/35/64/43/554356443.db2.gz OLXGKCDNECDYNB-UHFFFAOYSA-N 0 0 518.555 3.439 40 5 KGBBRN O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000057328335 554356415 /nfs/dbraw/zinc/35/64/15/554356415.db2.gz UDWADOBZNSNEJP-UHFFFAOYSA-N 0 0 518.555 3.439 40 5 KGBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000059246175 554386585 /nfs/dbraw/zinc/38/65/85/554386585.db2.gz OSCUEFXFHOFGBD-VPULJAIHSA-N 0 0 501.520 3.437 40 5 KGBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1 ZINC000059246176 554386566 /nfs/dbraw/zinc/38/65/66/554386566.db2.gz OSCUEFXFHOFGBD-PFFSESEHSA-N 0 0 501.520 3.437 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000059418554 554395016 /nfs/dbraw/zinc/39/50/16/554395016.db2.gz VIORCKWKEWEGFE-FMTUWFKASA-N 0 0 519.535 3.461 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000059418555 554395053 /nfs/dbraw/zinc/39/50/53/554395053.db2.gz VIORCKWKEWEGFE-FYVGXUMQSA-N 0 0 519.535 3.461 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000059427899 554395601 /nfs/dbraw/zinc/39/56/01/554395601.db2.gz ITGCUIOQHGWHDA-VVOOWDFBSA-N 0 0 523.567 3.032 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000059427900 193898832 /nfs/dbraw/zinc/89/88/32/193898832.db2.gz ITGCUIOQHGWHDA-JUTHHCEFSA-N 0 0 523.567 3.032 40 5 KGBBRN O=C(NCCCCCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000059608799 554411574 /nfs/dbraw/zinc/41/15/74/554411574.db2.gz ZVTKMRCOTHJNKO-UHFFFAOYSA-N 0 0 582.662 3.427 40 5 KGBBRN CCOC(=O)N1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000059652718 554420173 /nfs/dbraw/zinc/42/01/73/554420173.db2.gz DOLWVZISKJGHOI-UHFFFAOYSA-N 0 0 555.009 3.061 40 5 KGBBRN COc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000059882403 554458168 /nfs/dbraw/zinc/45/81/68/554458168.db2.gz FCWRSPGLVNJIMJ-UHFFFAOYSA-N 0 0 558.588 3.295 40 5 KGBBRN COc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000059883387 554460223 /nfs/dbraw/zinc/46/02/23/554460223.db2.gz VIWXXARLYPNGHA-UHFFFAOYSA-N 0 0 558.588 3.295 40 5 KGBBRN COC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000059953604 554484195 /nfs/dbraw/zinc/48/41/95/554484195.db2.gz KVSMEDZAKPDZFF-UHFFFAOYSA-N 0 0 529.527 3.233 40 5 KGBBRN COc1ccc(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000059953609 554484123 /nfs/dbraw/zinc/48/41/23/554484123.db2.gz VSHMQNMFGJYRAD-UHFFFAOYSA-N 0 0 531.543 3.463 40 5 KGBBRN COc1ccc(OC)c(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000059953615 554484132 /nfs/dbraw/zinc/48/41/32/554484132.db2.gz CYENHZCLINYIGL-UHFFFAOYSA-N 0 0 531.543 3.463 40 5 KGBBRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059980684 554484967 /nfs/dbraw/zinc/48/49/67/554484967.db2.gz GZCKWJBHAREUNH-SFHVURJKSA-N 0 0 561.638 3.388 40 5 KGBBRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059980685 554484977 /nfs/dbraw/zinc/48/49/77/554484977.db2.gz GZCKWJBHAREUNH-GOSISDBHSA-N 0 0 561.638 3.388 40 5 KGBBRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000060016169 554486698 /nfs/dbraw/zinc/48/66/98/554486698.db2.gz VYABZSWACOYYNZ-UHFFFAOYSA-N 0 0 574.637 3.222 40 5 KGBBRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000060016170 554486671 /nfs/dbraw/zinc/48/66/71/554486671.db2.gz LUDWHFKNFFVQBZ-UHFFFAOYSA-N 0 0 562.626 3.124 40 5 KGBBRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000060016175 554486694 /nfs/dbraw/zinc/48/66/94/554486694.db2.gz QMAYGXNOBOIGGU-UHFFFAOYSA-N 0 0 574.637 3.222 40 5 KGBBRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000060016178 554486651 /nfs/dbraw/zinc/48/66/51/554486651.db2.gz ZMZYXLWJVOBWQD-UHFFFAOYSA-N 0 0 562.626 3.124 40 5 KGBBRN COc1ccc(N(CC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000060028890 554496636 /nfs/dbraw/zinc/49/66/36/554496636.db2.gz QRVYNFTZLKYLJO-UHFFFAOYSA-N 0 0 606.679 3.441 40 5 KGBBRN O=C(O[C@H]1CO[C@]2(CCCCO2)[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000068563975 554539074 /nfs/dbraw/zinc/53/90/74/554539074.db2.gz SUYQNDWZTRSYMW-ZRCGQRJVSA-N 0 0 576.427 3.388 40 5 KGBBRN O=C(O[C@@H]1CO[C@]2(CCCCO2)[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000068563979 554539020 /nfs/dbraw/zinc/53/90/20/554539020.db2.gz SUYQNDWZTRSYMW-SXWKCWPCSA-N 0 0 576.427 3.388 40 5 KGBBRN O=C(O[C@H]1CO[C@]2(CCCCO2)[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000068563983 554539050 /nfs/dbraw/zinc/53/90/50/554539050.db2.gz SUYQNDWZTRSYMW-TXTKFYIRSA-N 0 0 576.427 3.388 40 5 KGBBRN O=C(O[C@@H]1C[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CO[C@]12CCCCO2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000068563988 554539109 /nfs/dbraw/zinc/53/91/09/554539109.db2.gz SUYQNDWZTRSYMW-MIZPHKNDSA-N 0 0 576.427 3.388 40 5 KGBBRN CC(=O)OC[C@@H]1O[C@H](Oc2cc3oc(=O)c4ccccc4c3cc2Cl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000070700861 553619743 /nfs/dbraw/zinc/61/97/43/553619743.db2.gz XXRPMXPYXTZFAD-WOKGGPCBSA-N 0 0 576.938 3.062 40 5 KGBBRN COc1ccc2c3nccc4c5cc(OCC(=O)NCCCN6CCCC6=O)ccc5n(c43)c(=O)c2c1OC ZINC000070707900 553631818 /nfs/dbraw/zinc/63/18/18/553631818.db2.gz DYFNIUCEETUDPH-UHFFFAOYSA-N 0 0 528.565 3.117 40 5 biogenic KGBBRN C[C@H](Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000070708050 553632030 /nfs/dbraw/zinc/63/20/30/553632030.db2.gz PCYAEKAPWZRRDX-INIZCTEOSA-N 0 0 526.574 3.323 40 5 biogenic KGBBRN C[C@@H](Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000070708058 553632015 /nfs/dbraw/zinc/63/20/15/553632015.db2.gz PCYAEKAPWZRRDX-MRXNPFEDSA-N 0 0 526.574 3.323 40 5 biogenic KGBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)NCc6ccc(S(N)(=O)=O)cc6)ccc5n(c43)c(=O)c2c1OC ZINC000070708446 553632819 /nfs/dbraw/zinc/63/28/19/553632819.db2.gz FJTODIGQFYJPPI-INIZCTEOSA-N 0 0 586.626 3.340 40 5 biogenic KGBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)NCc6ccc(S(N)(=O)=O)cc6)ccc5n(c43)c(=O)c2c1OC ZINC000070708448 553632857 /nfs/dbraw/zinc/63/28/57/553632857.db2.gz FJTODIGQFYJPPI-MRXNPFEDSA-N 0 0 586.626 3.340 40 5 biogenic KGBBRN C[C@@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000076945549 553654418 /nfs/dbraw/zinc/65/44/18/553654418.db2.gz UMCMPZBLKLEWAF-ULRUTVQTSA-O 0 0 615.898 3.225 40 5 in-vitro KGBBRN C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000076945557 553654457 /nfs/dbraw/zinc/65/44/57/553654457.db2.gz UMCMPZBLKLEWAF-YWDYPWKJSA-O 0 0 615.898 3.225 40 5 in-vitro KGBBRN CCOC(=O)C1=C(C)C2(Br)[C@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000095100697 553699440 /nfs/dbraw/zinc/69/94/40/553699440.db2.gz HKTOWLWRBVMDOR-JIVPGHBPSA-N 0 0 667.425 3.461 40 5 KGBBRN CCOC(=O)C1=C(C)C2(Br)[C@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000095100698 553699436 /nfs/dbraw/zinc/69/94/36/553699436.db2.gz HKTOWLWRBVMDOR-FEOAPSFTSA-N 0 0 667.425 3.461 40 5 KGBBRN CCOC(=O)C1=C(C)C2(Br)[C@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000095100699 553699419 /nfs/dbraw/zinc/69/94/19/553699419.db2.gz HKTOWLWRBVMDOR-DNKITZKYSA-N 0 0 667.425 3.461 40 5 KGBBRN CCOC(=O)C1=C(C)C2(Br)[C@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3C1(C)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000095100700 553699367 /nfs/dbraw/zinc/69/93/67/553699367.db2.gz HKTOWLWRBVMDOR-UHYRIJSISA-N 0 0 667.425 3.461 40 5 KGBBRN CCOC(=O)C1=C(C)C2(Br)[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 ZINC000095100705 553699411 /nfs/dbraw/zinc/69/94/11/553699411.db2.gz PCQAJIXJKDNXLV-JIVPGHBPSA-N 0 0 667.425 3.461 40 5 KGBBRN CCOC(=O)C1=C(C)C2(Br)[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 ZINC000095100706 553699398 /nfs/dbraw/zinc/69/93/98/553699398.db2.gz PCQAJIXJKDNXLV-FEOAPSFTSA-N 0 0 667.425 3.461 40 5 KGBBRN CCOC(=O)C1=C(C)C2(Br)[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 ZINC000095100707 553699405 /nfs/dbraw/zinc/69/94/05/553699405.db2.gz PCQAJIXJKDNXLV-DNKITZKYSA-N 0 0 667.425 3.461 40 5 KGBBRN CCOC(=O)C1=C(C)C2(Br)[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3C1(C)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 ZINC000095100708 553699378 /nfs/dbraw/zinc/69/93/78/553699378.db2.gz PCQAJIXJKDNXLV-UHYRIJSISA-N 0 0 667.425 3.461 40 5 KGBBRN C=Cc1cc(OC)c2c3cc(OC)c4c(O)ccc([C@@H]5O[C@H](C)[C@H](O)[C@](C)(O)[C@H]5O)c4c3oc(=O)c2c1 ZINC000095631335 553706389 /nfs/dbraw/zinc/70/63/89/553706389.db2.gz OMDANBMKOUVKAG-IGRNJDJWSA-N 0 0 508.523 3.398 40 5 biogenic,in-vitro KGBBRN C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000098052536 554176005 /nfs/dbraw/zinc/17/60/05/554176005.db2.gz UMCMPZBLKLEWAF-CUMKARTFSA-O 0 0 615.898 3.225 40 5 in-vitro KGBBRN CO[C@H]1[C@@H](CO)O[C@@H](n2c3c4[nH]c5c(cccc5Cl)c4c4c(c3c3cccc(Cl)c32)C(=O)NC4=O)[C@H](O)[C@@H]1O ZINC000100071548 554201759 /nfs/dbraw/zinc/20/17/59/554201759.db2.gz QEHOIJJIZXRMAN-QEYDPJGRSA-N 0 0 570.385 3.246 40 5 in-vitro KGBBRN CO[C@@H]1[C@H](O)[C@@H](O)[C@H](n2c3c4[nH]c5c(cccc5Cl)c4c4c(c3c3cccc(Cl)c32)C(=O)NC4=O)O[C@@H]1CO ZINC000100071549 554201639 /nfs/dbraw/zinc/20/16/39/554201639.db2.gz QEHOIJJIZXRMAN-VKKDPSRJSA-N 0 0 570.385 3.246 40 5 in-vitro KGBBRN COC(=O)C1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000100073567 554203163 /nfs/dbraw/zinc/20/31/63/554203163.db2.gz WASYCWVYBGJXSG-UHFFFAOYSA-N 0 0 539.994 3.172 40 5 KGBBRN CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)c21 ZINC000100166685 554236798 /nfs/dbraw/zinc/23/67/98/554236798.db2.gz CBDLRUFXEHMSKQ-UHFFFAOYSA-N 0 0 543.827 3.431 40 5 KGBBRN O=C(CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000100239034 554259645 /nfs/dbraw/zinc/25/96/45/554259645.db2.gz PKSIRCNAOOFKFO-NWDGAFQWSA-N 0 0 526.185 3.339 40 5 KGBBRN O=C(CNC(=O)c1ccc(Br)cc1)NCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000100355627 554335686 /nfs/dbraw/zinc/33/56/86/554335686.db2.gz WMBJTYNNBMBGCW-UHFFFAOYSA-N 0 0 570.352 3.422 40 5 KGBBRN O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1N1CCOCC1 ZINC000100367768 554353846 /nfs/dbraw/zinc/35/38/46/554353846.db2.gz CJWCPMJKAOMMLC-STZFKDTASA-N 0 0 544.611 3.191 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(SCCO)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000100368382 193904447 /nfs/dbraw/zinc/90/44/47/193904447.db2.gz JTYFBORCEYRQGQ-XOYGFPHKSA-N 0 0 539.635 3.099 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(SCCO)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000100368386 193904574 /nfs/dbraw/zinc/90/45/74/193904574.db2.gz JTYFBORCEYRQGQ-YJADQXIJSA-N 0 0 539.635 3.099 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(SCCO)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000100368455 193904454 /nfs/dbraw/zinc/90/44/54/193904454.db2.gz QGJKHADJUQSDCV-WLGHQHAYSA-N 0 0 569.661 3.190 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(SCCO)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000100368456 554354456 /nfs/dbraw/zinc/35/44/56/554354456.db2.gz QGJKHADJUQSDCV-NLZIUFDSSA-N 0 0 569.661 3.190 40 5 KGBBRN O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000100368493 554354417 /nfs/dbraw/zinc/35/44/17/554354417.db2.gz VFTCZPVFRAZXEZ-QNGOZBTKSA-N 0 0 528.612 3.064 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(SCCO)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000100369352 554355496 /nfs/dbraw/zinc/35/54/96/554355496.db2.gz RKDHDQXCWIZNEN-WVWKGNOCSA-N 0 0 560.053 3.444 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(SCCO)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000100369357 554355533 /nfs/dbraw/zinc/35/55/33/554355533.db2.gz RKDHDQXCWIZNEN-IMEWXKHHSA-N 0 0 560.053 3.444 40 5 KGBBRN O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000100369617 554355933 /nfs/dbraw/zinc/35/59/33/554355933.db2.gz DVGGGELGJFIDFI-STZFKDTASA-N 0 0 544.611 3.191 40 5 KGBBRN O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)C2=O ZINC000100529536 554410542 /nfs/dbraw/zinc/41/05/42/554410542.db2.gz DHCRXPHXTMWMQL-UHFFFAOYSA-N 0 0 529.490 3.176 40 5 KGBBRN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl)N1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)CC1 ZINC000100536070 554412499 /nfs/dbraw/zinc/41/24/99/554412499.db2.gz KEFXDKKRHUUAKT-UHFFFAOYSA-N 0 0 543.232 3.224 40 5 KGBBRN Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2nc3c(nc12)c(C)nn3-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100562571 554418696 /nfs/dbraw/zinc/41/86/96/554418696.db2.gz ONZKNFVPCYHGTK-UHFFFAOYSA-N 0 0 520.378 3.404 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000100870548 554498171 /nfs/dbraw/zinc/49/81/71/554498171.db2.gz QMTOXDHESCRYPL-JKALPCAWSA-N 0 0 528.384 3.469 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000100870549 554498229 /nfs/dbraw/zinc/49/82/29/554498229.db2.gz QMTOXDHESCRYPL-SQWSFHKJSA-N 0 0 528.384 3.469 40 5 KGBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000101091406 554582550 /nfs/dbraw/zinc/58/25/50/554582550.db2.gz WNYNYQIBABOJEV-CROMWVBPSA-N 0 0 511.332 3.097 40 5 KGBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000101176232 554663871 /nfs/dbraw/zinc/66/38/71/554663871.db2.gz ZRJWELUCTUFVLP-FKBYEOEOSA-N 0 0 506.427 3.268 40 5 KGBBRN O=C(c1cccc([N+](=O)[O-])c1)N1CN(C(=O)c2cccc([N+](=O)[O-])c2)CN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000101581309 554800098 /nfs/dbraw/zinc/80/00/98/554800098.db2.gz RLAHLIMRKOUOOL-UHFFFAOYSA-N 0 0 534.441 3.024 40 5 KGBBRN O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000102449444 554931272 /nfs/dbraw/zinc/93/12/72/554931272.db2.gz WRXUBMCDPVMCFP-DOTOQJQBSA-N 0 0 528.974 3.470 40 5 KGBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000102560664 554968055 /nfs/dbraw/zinc/96/80/55/554968055.db2.gz BDZXOIBQPATYNC-QVAGMWBUSA-N 0 0 578.622 3.408 40 5 KGBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000102747566 555041093 /nfs/dbraw/zinc/04/10/93/555041093.db2.gz QWWMBDCEQWZYSD-QCWLDUFUSA-N 0 0 534.569 3.482 40 5 KGBBRN COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[C@H](C)C[C@@H]43)C2=O)cc1OC ZINC000102788154 555068251 /nfs/dbraw/zinc/06/82/51/555068251.db2.gz HLWLHPKYKMOXKD-NHGXRVPGSA-N 0 0 522.558 3.081 40 5 KGBBRN COC(=O)C(O)=C(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000102915100 555143755 /nfs/dbraw/zinc/14/37/55/555143755.db2.gz CAYVAIDUPQWMTE-AWEZNQCLSA-N 0 0 541.687 3.237 40 5 KGBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1ccc(F)cc1 ZINC000102919029 555144881 /nfs/dbraw/zinc/14/48/81/555144881.db2.gz GFZIDAGELPBKLB-BGABXYSRSA-N 0 0 506.534 3.441 40 5 KGBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1ccccc1F ZINC000102919067 555144835 /nfs/dbraw/zinc/14/48/35/555144835.db2.gz BESQKQPYPXKAHU-BGABXYSRSA-N 0 0 506.534 3.441 40 5 KGBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1cc(OC)cc(OC)c1 ZINC000102919453 555144973 /nfs/dbraw/zinc/14/49/73/555144973.db2.gz MBFCOYUXZYCIRA-RMLRFSFXSA-N 0 0 504.543 3.474 40 5 KGBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccc(OC)c(OC)c1 ZINC000102919595 555144992 /nfs/dbraw/zinc/14/49/92/555144992.db2.gz HHSITUCNLTVCII-RMLRFSFXSA-N 0 0 504.543 3.474 40 5 KGBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccncc1 ZINC000102920181 555145241 /nfs/dbraw/zinc/14/52/41/555145241.db2.gz KQIHBQQRCAKPAS-BGABXYSRSA-N 0 0 503.559 3.086 40 5 KGBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000102920495 555145685 /nfs/dbraw/zinc/14/56/85/555145685.db2.gz HPPGTSQMHJHUPV-RMLRFSFXSA-N 0 0 533.541 3.290 40 5 KGBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cccc([N+](=O)[O-])c1 ZINC000102920507 555145712 /nfs/dbraw/zinc/14/57/12/555145712.db2.gz LLESZYSLNVYAIH-RMLRFSFXSA-N 0 0 533.541 3.290 40 5 KGBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(OC)cc1 ZINC000102920555 555145660 /nfs/dbraw/zinc/14/56/60/555145660.db2.gz CFAWYERXQMFNEP-QCWLDUFUSA-N 0 0 518.570 3.391 40 5 KGBBRN CCOCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1c(F)cccc1F ZINC000102920767 555146088 /nfs/dbraw/zinc/14/60/88/555146088.db2.gz FEABAXULGQQULE-JJKYIXSRSA-N 0 0 510.497 3.272 40 5 KGBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc2c(c1)OCO2 ZINC000102920811 555146087 /nfs/dbraw/zinc/14/60/87/555146087.db2.gz AYVXHWOJVCCYDA-QCWLDUFUSA-N 0 0 532.553 3.111 40 5 KGBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000102920988 555146343 /nfs/dbraw/zinc/14/63/43/555146343.db2.gz LINCGBZWUOXZRC-RMLRFSFXSA-N 0 0 520.542 3.174 40 5 KGBBRN O=C(COc1ccccc1[N+](=O)[O-])OCCN1C(=O)[C@@H]2[C@@H]3c4ccccc4C34c3ccccc3[C@H]4[C@H]2C1=O ZINC000102946641 555171854 /nfs/dbraw/zinc/17/18/54/555171854.db2.gz PNYLSUBREFHZOE-ABXKFGLTSA-N 0 0 510.502 3.312 40 5 KGBBRN CCOCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)/C=C/c1ccccc1 ZINC000103123963 555291827 /nfs/dbraw/zinc/29/18/27/555291827.db2.gz FSMYNBBZGQLTOO-LGOVKIFMSA-N 0 0 500.555 3.393 40 5 KGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000103523929 555427548 /nfs/dbraw/zinc/42/75/48/555427548.db2.gz ATOMWAFPYOZNLP-PQVVKJAFSA-N 0 0 524.489 3.352 40 5 KGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000103523932 555427602 /nfs/dbraw/zinc/42/76/02/555427602.db2.gz ATOMWAFPYOZNLP-GATIMQMVSA-N 0 0 524.489 3.352 40 5 KGBBRN Cc1ccc(S(=O)(=O)N2CN(S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c3ccccc32)cc1[N+](=O)[O-] ZINC000103623159 555456978 /nfs/dbraw/zinc/45/69/78/555456978.db2.gz OSWAJOCGGGMMKB-UHFFFAOYSA-N 0 0 518.529 3.482 40 5 KGBBRN COc1ccc(OC[C@H](CN(C)C2=NS(=O)(=O)c3ccccc32)OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103770219 555474609 /nfs/dbraw/zinc/47/46/09/555474609.db2.gz XLRFVTGHSGLBNF-NRFANRHFSA-N 0 0 525.539 3.289 40 5 KGBBRN COc1ccc(OC[C@@H](CN(C)C2=NS(=O)(=O)c3ccccc32)OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103770225 555474607 /nfs/dbraw/zinc/47/46/07/555474607.db2.gz XLRFVTGHSGLBNF-OAQYLSRUSA-N 0 0 525.539 3.289 40 5 KGBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)sc2=N1 ZINC000103827311 555483174 /nfs/dbraw/zinc/48/31/74/555483174.db2.gz MPHDRXMAKQSYME-GBLIIGSVSA-N 0 0 581.603 3.233 40 5 KGBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)sc2=N1 ZINC000103827317 555483422 /nfs/dbraw/zinc/48/34/22/555483422.db2.gz MPHDRXMAKQSYME-AWCNIVANSA-N 0 0 581.603 3.233 40 5 KGBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2=N1 ZINC000103827967 571362113 /nfs/dbraw/zinc/36/21/13/571362113.db2.gz JBUPROKOCNTSBB-ASZNLBCTSA-N 0 0 622.700 3.341 40 5 KGBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2=N1 ZINC000103827972 571362188 /nfs/dbraw/zinc/36/21/88/571362188.db2.gz JBUPROKOCNTSBB-YNMQQHPQSA-N 0 0 622.700 3.341 40 5 KGBBRN COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@@]32C(=O)Nc3c2ccc(Cl)c3C)c(C)cc1[N+](=O)[O-] ZINC000103890801 571368753 /nfs/dbraw/zinc/36/87/53/571368753.db2.gz QAQJDDJXOCYEIO-SJFBNKFASA-N 0 0 510.934 3.305 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@H]2C1=O ZINC000104069066 571372206 /nfs/dbraw/zinc/37/22/06/571372206.db2.gz UZNSUDBNVIWVAC-KTJVCJKDSA-N 0 0 536.504 3.078 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@@H]2C1=O ZINC000104069070 571372197 /nfs/dbraw/zinc/37/21/97/571372197.db2.gz UZNSUDBNVIWVAC-OXCBMLQPSA-N 0 0 536.504 3.078 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O ZINC000104069077 571372162 /nfs/dbraw/zinc/37/21/62/571372162.db2.gz UZNSUDBNVIWVAC-YFJHUXEUSA-N 0 0 536.504 3.078 40 5 KGBBRN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000104084790 571372712 /nfs/dbraw/zinc/37/27/12/571372712.db2.gz QLNJTFWOWFRENG-UHFFFAOYSA-N 0 0 573.606 3.433 40 5 KGBBRN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN23)cc1 ZINC000104085650 571373035 /nfs/dbraw/zinc/37/30/35/571373035.db2.gz XPPOQJRWLZLJQW-JBXUNAHCSA-N 0 0 526.505 3.374 40 5 KGBBRN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN23)cc1 ZINC000104085653 571372972 /nfs/dbraw/zinc/37/29/72/571372972.db2.gz XPPOQJRWLZLJQW-CXSMSNRLSA-N 0 0 526.505 3.374 40 5 KGBBRN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN23)cc1 ZINC000104085658 571372984 /nfs/dbraw/zinc/37/29/84/571372984.db2.gz XPPOQJRWLZLJQW-ZYQDXHPFSA-N 0 0 526.505 3.374 40 5 KGBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@H]2C1=O ZINC000104104373 571373992 /nfs/dbraw/zinc/37/39/92/571373992.db2.gz WUNSSEYWRRNUQX-LIONHTAISA-N 0 0 520.505 3.378 40 5 KGBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@@H]2C1=O ZINC000104104379 571373931 /nfs/dbraw/zinc/37/39/31/571373931.db2.gz WUNSSEYWRRNUQX-JBXUNAHCSA-N 0 0 520.505 3.378 40 5 KGBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@@H]3[C@H]2C1=O ZINC000104104384 571374013 /nfs/dbraw/zinc/37/40/13/571374013.db2.gz WUNSSEYWRRNUQX-VPBXCIAMSA-N 0 0 520.505 3.378 40 5 KGBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O ZINC000104104391 571374037 /nfs/dbraw/zinc/37/40/37/571374037.db2.gz WUNSSEYWRRNUQX-RCTAOEEJSA-N 0 0 520.505 3.378 40 5 KGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000104105164 571374003 /nfs/dbraw/zinc/37/40/03/571374003.db2.gz OXVBHYUEBUHCBA-QUKDMSEQSA-N 0 0 538.516 3.395 40 5 KGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000104105168 571374021 /nfs/dbraw/zinc/37/40/21/571374021.db2.gz OXVBHYUEBUHCBA-AFQFEXIYSA-N 0 0 538.516 3.395 40 5 KGBBRN COc1cc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5c4cc(C)cc5Cl)[C@H]3C2=O)c(C)cc1[N+](=O)[O-] ZINC000104130049 571374476 /nfs/dbraw/zinc/37/44/76/571374476.db2.gz QFRXLTANGLMRNN-NQAQNOALSA-N 0 0 510.934 3.305 40 5 KGBBRN Cc1c(C(=O)c2no[n+]([O-])c2C(=O)c2c(C)c([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000104133357 571374598 /nfs/dbraw/zinc/37/45/98/571374598.db2.gz BRPFSTYEBZYKHF-UHFFFAOYSA-N 0 0 558.416 3.253 40 5 KGBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ncnc(-c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])c2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000104203598 571376873 /nfs/dbraw/zinc/37/68/73/571376873.db2.gz VZEGKMANYZQNIZ-UHFFFAOYSA-N 0 0 547.265 3.168 40 5 KGBBRN CSCCCNC(=O)c1csc(-c2csc(CCNC(=O)[C@@H](NSc3ccccc3[N+](=O)[O-])[C@H](C)O)n2)n1 ZINC000104218775 571377126 /nfs/dbraw/zinc/37/71/26/571377126.db2.gz KCBXOXCCOYYXSP-XOBRGWDASA-N 0 0 596.782 3.363 40 5 KGBBRN CSCCCNC(=O)c1csc(-c2csc(CCNC(=O)[C@H](NSc3ccccc3[N+](=O)[O-])[C@H](C)O)n2)n1 ZINC000104218781 571377064 /nfs/dbraw/zinc/37/70/64/571377064.db2.gz KCBXOXCCOYYXSP-VBKZILBWSA-N 0 0 596.782 3.363 40 5 KGBBRN CSCCCNC(=O)c1csc(-c2csc(CCNC(=O)[C@H](NSc3ccccc3[N+](=O)[O-])[C@@H](C)O)n2)n1 ZINC000104218784 571377124 /nfs/dbraw/zinc/37/71/24/571377124.db2.gz KCBXOXCCOYYXSP-JLTOFOAXSA-N 0 0 596.782 3.363 40 5 KGBBRN CCN1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000104476108 571381096 /nfs/dbraw/zinc/38/10/96/571381096.db2.gz ZMVGZKHDMDUDRR-UHFFFAOYSA-N 0 0 533.054 3.354 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104607773 571381688 /nfs/dbraw/zinc/38/16/88/571381688.db2.gz NCGNXFUKLGJGCE-OCEWKHMESA-N 0 0 608.673 3.333 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104607777 571381698 /nfs/dbraw/zinc/38/16/98/571381698.db2.gz NCGNXFUKLGJGCE-MKWGYRPRSA-N 0 0 608.673 3.333 40 5 KGBBRN COc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000104708277 571385561 /nfs/dbraw/zinc/38/55/61/571385561.db2.gz PKHCHUJTJDDCIO-UHFFFAOYSA-N 0 0 540.598 3.156 40 5 KGBBRN COc1ccc(N(CC(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000104708359 571385563 /nfs/dbraw/zinc/38/55/63/571385563.db2.gz WOQSWCJDGNZEDL-UHFFFAOYSA-N 0 0 559.597 3.183 40 5 KGBBRN COc1ccc(CCNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000104708366 571385565 /nfs/dbraw/zinc/38/55/65/571385565.db2.gz UAZBMHFIBHYBKY-UHFFFAOYSA-N 0 0 529.571 3.175 40 5 KGBBRN COc1ccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000104708405 571385500 /nfs/dbraw/zinc/38/55/00/571385500.db2.gz MXOVKYAKUYXQGN-UHFFFAOYSA-N 0 0 581.607 3.244 40 5 KGBBRN COc1ccc(N(CC(=O)NCCCC(C)(C)C2OCCO2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000104708417 571385567 /nfs/dbraw/zinc/38/55/67/571385567.db2.gz MTEJWQUCNBVCSX-UHFFFAOYSA-N 0 0 551.618 3.103 40 5 KGBBRN O=C(CNC(=O)c1ccc(Br)cc1)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000105264530 571392462 /nfs/dbraw/zinc/39/24/62/571392462.db2.gz MTBZKKRHBDRYCD-XMMPIXPASA-N 0 0 554.353 3.371 40 5 KGBBRN O=C(CNC(=O)c1ccc(Br)cc1)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000105264535 571392423 /nfs/dbraw/zinc/39/24/23/571392423.db2.gz MTBZKKRHBDRYCD-DEOSSOPVSA-N 0 0 554.353 3.371 40 5 KGBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1cccc(Br)c1 ZINC000105303641 571392847 /nfs/dbraw/zinc/39/28/47/571392847.db2.gz MMRDRKGRVPXUPD-UHFFFAOYSA-N 0 0 534.436 3.031 40 5 KGBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000105303668 571392895 /nfs/dbraw/zinc/39/28/95/571392895.db2.gz WELCNFCCQMUOGM-UHFFFAOYSA-N 0 0 566.596 3.437 40 5 KGBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105303676 571392840 /nfs/dbraw/zinc/39/28/40/571392840.db2.gz IUUJCWNOABXJMV-UHFFFAOYSA-N 0 0 583.671 3.167 40 5 KGBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000105303688 571392832 /nfs/dbraw/zinc/39/28/32/571392832.db2.gz PXILUXYIZCBZLP-UHFFFAOYSA-N 0 0 566.596 3.437 40 5 KGBBRN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000105306462 571394151 /nfs/dbraw/zinc/39/41/51/571394151.db2.gz KKQZRJVFMHQIGL-UHFFFAOYSA-N 0 0 533.570 3.301 40 5 KGBBRN CCOC(=O)c1sc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C ZINC000105306500 571394064 /nfs/dbraw/zinc/39/40/64/571394064.db2.gz VLFKPHWUHOOYAB-UHFFFAOYSA-N 0 0 550.615 3.282 40 5 KGBBRN COc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 ZINC000105306525 571394066 /nfs/dbraw/zinc/39/40/66/571394066.db2.gz FJFZODACLQEFOL-UHFFFAOYSA-N 0 0 525.543 3.412 40 5 KGBBRN Cc1cc(I)ccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306590 571394235 /nfs/dbraw/zinc/39/42/35/571394235.db2.gz BCKQAORUGGFCGR-UHFFFAOYSA-N 0 0 526.356 3.471 40 5 KGBBRN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nn12 ZINC000105306720 571394221 /nfs/dbraw/zinc/39/42/21/571394221.db2.gz BXOJGBFUJOQGSC-UHFFFAOYSA-N 0 0 524.588 3.033 40 5 KGBBRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3C)nn12 ZINC000105306733 571394225 /nfs/dbraw/zinc/39/42/25/571394225.db2.gz COMKURYJNYPGEV-UHFFFAOYSA-N 0 0 538.615 3.341 40 5 KGBBRN Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nn12 ZINC000105308125 571394940 /nfs/dbraw/zinc/39/49/40/571394940.db2.gz ASCQUWLGKVCXMS-UHFFFAOYSA-N 0 0 522.616 3.474 40 5 KGBBRN O=C(NC(=S)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105313536 571397897 /nfs/dbraw/zinc/39/78/97/571397897.db2.gz BOFPRYURTPCXFS-UHFFFAOYSA-N 0 0 521.534 3.431 40 5 KGBBRN O=C(NC(=S)Nc1ccc(I)cc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105314562 571398529 /nfs/dbraw/zinc/39/85/29/571398529.db2.gz QWPMHSHBYRTSAZ-UHFFFAOYSA-N 0 0 530.319 3.302 40 5 KGBBRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105315208 571398905 /nfs/dbraw/zinc/39/89/05/571398905.db2.gz HEEZHHQDTIKQOC-UHFFFAOYSA-N 0 0 525.543 3.412 40 5 KGBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105315278 571398873 /nfs/dbraw/zinc/39/88/73/571398873.db2.gz JGDPZRKKLAGERH-UHFFFAOYSA-N 0 0 539.536 3.414 40 5 KGBBRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c(C)c3)nn12 ZINC000105315461 571398999 /nfs/dbraw/zinc/39/89/99/571398999.db2.gz XATXMQBUFVVGQE-UHFFFAOYSA-N 0 0 538.615 3.341 40 5 KGBBRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nn12 ZINC000105315489 571399172 /nfs/dbraw/zinc/39/91/72/571399172.db2.gz LQGOAUIJSLNBOJ-UHFFFAOYSA-N 0 0 524.588 3.033 40 5 KGBBRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nn12 ZINC000105315521 571399162 /nfs/dbraw/zinc/39/91/62/571399162.db2.gz LLMPNLSEAZSSDW-UHFFFAOYSA-N 0 0 524.588 3.033 40 5 KGBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nn12 ZINC000105315552 571399106 /nfs/dbraw/zinc/39/91/06/571399106.db2.gz GRJWYZAJRAIZKF-UHFFFAOYSA-N 0 0 538.615 3.341 40 5 KGBBRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000105316636 571399788 /nfs/dbraw/zinc/39/97/88/571399788.db2.gz BMTSNSHNANCWSX-UHFFFAOYSA-N 0 0 561.064 3.270 40 5 KGBBRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105317821 571400430 /nfs/dbraw/zinc/40/04/30/571400430.db2.gz NAVDFMOGMPNIAL-UHFFFAOYSA-N 0 0 564.624 3.114 40 5 KGBBRN CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000105318756 571401077 /nfs/dbraw/zinc/40/10/77/571401077.db2.gz NZVVATVQZQJWAL-UHFFFAOYSA-N 0 0 529.600 3.063 40 5 KGBBRN CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 ZINC000105318779 571401127 /nfs/dbraw/zinc/40/11/27/571401127.db2.gz HPWBMJDHWFGABJ-UHFFFAOYSA-N 0 0 529.600 3.063 40 5 KGBBRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000105318871 571401164 /nfs/dbraw/zinc/40/11/64/571401164.db2.gz CDGZWZGNHHWPJR-UHFFFAOYSA-N 0 0 533.054 3.354 40 5 KGBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000105352522 571403709 /nfs/dbraw/zinc/40/37/09/571403709.db2.gz FONFILHMWAJDCM-UHFFFAOYSA-N 0 0 554.673 3.253 40 5 KGBBRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nn12 ZINC000105352527 571403767 /nfs/dbraw/zinc/40/37/67/571403767.db2.gz AUIKNLGZQKGEDR-UHFFFAOYSA-N 0 0 538.615 3.287 40 5 KGBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000105352535 571403729 /nfs/dbraw/zinc/40/37/29/571403729.db2.gz MHWQRIZNBRKBAM-UHFFFAOYSA-N 0 0 554.673 3.253 40 5 KGBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1 ZINC000105352848 571403854 /nfs/dbraw/zinc/40/38/54/571403854.db2.gz POUFNJXQQHEHRZ-UHFFFAOYSA-N 0 0 554.673 3.253 40 5 KGBBRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nn12 ZINC000105352853 571403850 /nfs/dbraw/zinc/40/38/50/571403850.db2.gz FKDUCPZAOWXXQW-UHFFFAOYSA-N 0 0 538.615 3.287 40 5 KGBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1 ZINC000105352863 571403817 /nfs/dbraw/zinc/40/38/17/571403817.db2.gz QJLUUOHEYNWZCA-UHFFFAOYSA-N 0 0 554.673 3.253 40 5 KGBBRN O=C(NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105353171 571403939 /nfs/dbraw/zinc/40/39/39/571403939.db2.gz HVPVARASNHZXCQ-UHFFFAOYSA-N 0 0 561.945 3.478 40 5 KGBBRN O=C(NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000105353224 571403914 /nfs/dbraw/zinc/40/39/14/571403914.db2.gz LYDAHCZXPBHVAX-UHFFFAOYSA-N 0 0 561.945 3.478 40 5 KGBBRN COc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1[N+](=O)[O-] ZINC000105453004 571404898 /nfs/dbraw/zinc/40/48/98/571404898.db2.gz AJELYXRVTIBTQO-UHFFFAOYSA-N 0 0 528.591 3.339 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000105498448 571405878 /nfs/dbraw/zinc/40/58/78/571405878.db2.gz GJQOGLQGSMAODG-VMOHIOPYSA-N 0 0 543.985 3.377 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000105498452 571405876 /nfs/dbraw/zinc/40/58/76/571405876.db2.gz GJQOGLQGSMAODG-IYMWYRQMSA-N 0 0 543.985 3.377 40 5 KGBBRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1OC ZINC000105598832 571407828 /nfs/dbraw/zinc/40/78/28/571407828.db2.gz BQKSRIWDSJYACM-UXBLZVDNSA-N 0 0 526.575 3.109 40 5 KGBBRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1OC ZINC000105600232 571407849 /nfs/dbraw/zinc/40/78/49/571407849.db2.gz NENZVYLDCMYQFW-JXMROGBWSA-N 0 0 526.575 3.109 40 5 KGBBRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1OC ZINC000105614378 571407934 /nfs/dbraw/zinc/40/79/34/571407934.db2.gz PGXAVGIHPJCZMN-JXMROGBWSA-N 0 0 526.575 3.109 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1)S(C)(=O)=O ZINC000105625087 571407958 /nfs/dbraw/zinc/40/79/58/571407958.db2.gz SSUAVBRSELRQHM-UHFFFAOYSA-N 0 0 548.599 3.117 40 5 KGBBRN CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000105802921 571408971 /nfs/dbraw/zinc/40/89/71/571408971.db2.gz IXHBPNYTFYWIQY-WUXMJOGZSA-N 0 0 526.575 3.284 40 5 KGBBRN COc1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000106020038 571410681 /nfs/dbraw/zinc/41/06/81/571410681.db2.gz IERQWSPHYBAFNO-UHFFFAOYSA-N 0 0 554.625 3.152 40 5 KGBBRN COc1ccc(N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000106020055 571410741 /nfs/dbraw/zinc/41/07/41/571410741.db2.gz DKJGSJUJYCIFGI-UHFFFAOYSA-N 0 0 532.600 3.111 40 5 KGBBRN COc1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000106185553 571411443 /nfs/dbraw/zinc/41/14/43/571411443.db2.gz LLWJSXHIWVWSIU-UHFFFAOYSA-N 0 0 538.626 3.452 40 5 KGBBRN COc1ccc(N(CC(=O)N2CCN(c3ccccc3OC)CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000106185561 571411506 /nfs/dbraw/zinc/41/15/06/571411506.db2.gz ZLGIQQMMEQMKMM-UHFFFAOYSA-N 0 0 554.625 3.465 40 5 KGBBRN COc1ccc(N(CC(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000106185627 571411461 /nfs/dbraw/zinc/41/14/61/571411461.db2.gz LBLZORFNVJJETJ-UHFFFAOYSA-N 0 0 543.598 3.483 40 5 KGBBRN COc1ccc(Br)cc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000106311198 571411842 /nfs/dbraw/zinc/41/18/42/571411842.db2.gz KMUYCDGBHMNRSV-UHFFFAOYSA-N 0 0 564.462 3.039 40 5 KGBBRN CCCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 ZINC000106374651 571412289 /nfs/dbraw/zinc/41/22/89/571412289.db2.gz SLSZDNYMXHWVOW-UHFFFAOYSA-N 0 0 527.647 3.447 40 5 KGBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccccc1Br ZINC000106419846 571412492 /nfs/dbraw/zinc/41/24/92/571412492.db2.gz CAPIQUSDNPIALM-UHFFFAOYSA-N 0 0 534.436 3.031 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000106599193 571413014 /nfs/dbraw/zinc/41/30/14/571413014.db2.gz WRYDDARFOACVBM-IDQDRXHYSA-N 0 0 543.985 3.383 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000106599199 571413065 /nfs/dbraw/zinc/41/30/65/571413065.db2.gz WRYDDARFOACVBM-KEBMYNNESA-N 0 0 543.985 3.383 40 5 KGBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000106709698 571415115 /nfs/dbraw/zinc/41/51/15/571415115.db2.gz LYWJEJPHQJFKAI-UNOMPAQXSA-N 0 0 514.516 3.076 40 5 KGBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000106727697 571416478 /nfs/dbraw/zinc/41/64/78/571416478.db2.gz LWNYXWTWZWSMFN-HMAPJEAMSA-N 0 0 527.555 3.468 40 5 KGBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000106729467 571416547 /nfs/dbraw/zinc/41/65/47/571416547.db2.gz QRPYIIFPVOAWIO-BKUYFWCQSA-N 0 0 513.528 3.078 40 5 KGBBRN O=C1S/C(=C\c2ccc(Oc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106739024 571417023 /nfs/dbraw/zinc/41/70/23/571417023.db2.gz PEYJXFLVCLIAMR-QJOMJCCJSA-N 0 0 605.633 3.482 40 5 KGBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000106739065 571417089 /nfs/dbraw/zinc/41/70/89/571417089.db2.gz NNATUZHANFHOES-BKUYFWCQSA-N 0 0 513.528 3.078 40 5 KGBBRN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)C1=O ZINC000106743921 571417366 /nfs/dbraw/zinc/41/73/66/571417366.db2.gz XGEGNOLBQAGNOE-ZDLGFXPLSA-N 0 0 506.514 3.270 40 5 KGBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000106743986 571417374 /nfs/dbraw/zinc/41/73/74/571417374.db2.gz PERUZJLVUHCQNC-GRSHGNNSSA-N 0 0 536.540 3.279 40 5 KGBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000106745250 571417401 /nfs/dbraw/zinc/41/74/01/571417401.db2.gz KYJNRMQQNHCVMG-HMAPJEAMSA-N 0 0 527.555 3.468 40 5 KGBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000106746533 571417471 /nfs/dbraw/zinc/41/74/71/571417471.db2.gz CUNHZDSUZQSQLM-WQRHYEAKSA-N 0 0 536.540 3.359 40 5 KGBBRN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000106749257 571417533 /nfs/dbraw/zinc/41/75/33/571417533.db2.gz FFVONWFINZHIHD-GRSHGNNSSA-N 0 0 515.500 3.220 40 5 KGBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000106758096 571417875 /nfs/dbraw/zinc/41/78/75/571417875.db2.gz HAUCFCFVWQBLGI-ZHZULCJRSA-N 0 0 561.594 3.420 40 5 KGBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCC4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000106763682 571418086 /nfs/dbraw/zinc/41/80/86/571418086.db2.gz IEVQJVOQKVFTQJ-NDENLUEZSA-N 0 0 531.568 3.330 40 5 KGBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000106763752 571418103 /nfs/dbraw/zinc/41/81/03/571418103.db2.gz JJOIWVJIKKDZBK-MTJSOVHGSA-N 0 0 561.594 3.338 40 5 KGBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000106769666 571418215 /nfs/dbraw/zinc/41/82/15/571418215.db2.gz NRNVJZXKLVKWOE-UYRXBGFRSA-N 0 0 547.567 3.030 40 5 KGBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000106770151 571418205 /nfs/dbraw/zinc/41/82/05/571418205.db2.gz FDYMDHWFWHXQIC-MTJSOVHGSA-N 0 0 540.554 3.280 40 5 KGBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1cccc2ccccc21 ZINC000107564098 571420255 /nfs/dbraw/zinc/42/02/55/571420255.db2.gz CHRJPDPQESVMAX-UHFFFAOYSA-N 0 0 505.600 3.422 40 5 KGBBRN Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1Cl ZINC000107598280 571420386 /nfs/dbraw/zinc/42/03/86/571420386.db2.gz QKOOEVLTOJTCSG-UHFFFAOYSA-N 0 0 504.012 3.230 40 5 KGBBRN Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 ZINC000107623446 571420541 /nfs/dbraw/zinc/42/05/41/571420541.db2.gz WNSZHYCQWXHGFP-UHFFFAOYSA-N 0 0 575.983 3.170 40 5 KGBBRN CCCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1 ZINC000107629861 571420545 /nfs/dbraw/zinc/42/05/45/571420545.db2.gz HGZKBMBWUXQJNB-UHFFFAOYSA-N 0 0 513.620 3.057 40 5 KGBBRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1OC ZINC000107732383 571421041 /nfs/dbraw/zinc/42/10/41/571421041.db2.gz NXBNLFHLUDGPAK-WEVVVXLNSA-N 0 0 546.993 3.454 40 5 KGBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000107779348 571421135 /nfs/dbraw/zinc/42/11/35/571421135.db2.gz UQAGGXNBVUKGNR-UHFFFAOYSA-N 0 0 583.671 3.167 40 5 KGBBRN CC(C)Oc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1 ZINC000107803034 571421139 /nfs/dbraw/zinc/42/11/39/571421139.db2.gz MPMIKBUXWSHQJI-UHFFFAOYSA-N 0 0 513.620 3.056 40 5 KGBBRN CC(C)COc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1 ZINC000107893333 571421570 /nfs/dbraw/zinc/42/15/70/571421570.db2.gz TZHJWAOFTLOSFH-UHFFFAOYSA-N 0 0 527.647 3.303 40 5 KGBBRN CC(C)COc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 ZINC000107938347 571421804 /nfs/dbraw/zinc/42/18/04/571421804.db2.gz UUHKKKYLNLRQDG-UHFFFAOYSA-N 0 0 527.647 3.303 40 5 KGBBRN CC(C)Oc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 ZINC000108094559 571422385 /nfs/dbraw/zinc/42/23/85/571422385.db2.gz TYIQGNWSLNNTCH-UHFFFAOYSA-N 0 0 513.620 3.056 40 5 KGBBRN CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1Br ZINC000108226307 571422674 /nfs/dbraw/zinc/42/26/74/571422674.db2.gz QWAQBVKMTBGSNE-UHFFFAOYSA-N 0 0 578.489 3.430 40 5 KGBBRN COc1cc(OC)cc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 ZINC000108284473 571423034 /nfs/dbraw/zinc/42/30/34/571423034.db2.gz DPIVNTGXRRVZFV-UHFFFAOYSA-N 0 0 513.620 3.439 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O ZINC000108304806 571423110 /nfs/dbraw/zinc/42/31/10/571423110.db2.gz PXMYJTFDQCNCMN-UHFFFAOYSA-N 0 0 569.017 3.462 40 5 KGBBRN O=C(c1ccc([N+](=O)[O-])cc1)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000108801970 571426594 /nfs/dbraw/zinc/42/65/94/571426594.db2.gz JUARVQCLQVFNNW-UHFFFAOYSA-N 0 0 533.453 3.466 40 5 KGBBRN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000108928597 571427621 /nfs/dbraw/zinc/42/76/21/571427621.db2.gz CZCLNQKNPXFNAL-UHFFFAOYSA-N 0 0 568.534 3.195 40 5 KGBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccc(Br)cc1 ZINC000108990824 571427922 /nfs/dbraw/zinc/42/79/22/571427922.db2.gz QFHXDRVFUQYSFP-UHFFFAOYSA-N 0 0 534.436 3.031 40 5 KGBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000109020483 571428071 /nfs/dbraw/zinc/42/80/71/571428071.db2.gz WGOAYHBHHGJQIN-UHFFFAOYSA-N 0 0 511.604 3.193 40 5 KGBBRN COc1cc2ccccc2cc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000109280987 571428874 /nfs/dbraw/zinc/42/88/74/571428874.db2.gz QEQFMMBWXKFUFN-UHFFFAOYSA-N 0 0 535.626 3.430 40 5 KGBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000109382117 571429166 /nfs/dbraw/zinc/42/91/66/571429166.db2.gz JFJFUZCZBRPOIW-GOSISDBHSA-N 0 0 534.982 3.062 40 5 KGBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000109382120 571429091 /nfs/dbraw/zinc/42/90/91/571429091.db2.gz JFJFUZCZBRPOIW-SFHVURJKSA-N 0 0 534.982 3.062 40 5 KGBBRN COc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1Br ZINC000109412716 571429101 /nfs/dbraw/zinc/42/91/01/571429101.db2.gz BRTOBEFTLUEHOV-UHFFFAOYSA-N 0 0 564.462 3.039 40 5 KGBBRN CCOc1cc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc(OCC)c1OCC ZINC000109414397 571429080 /nfs/dbraw/zinc/42/90/80/571429080.db2.gz XEAOUPCIWNBRBG-UHFFFAOYSA-N 0 0 587.699 3.464 40 5 KGBBRN CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1Cl ZINC000109684003 571429753 /nfs/dbraw/zinc/42/97/53/571429753.db2.gz LTONUPKAQXKWGQ-UHFFFAOYSA-N 0 0 534.038 3.320 40 5 KGBBRN O=C(NC(=S)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112230376 571434129 /nfs/dbraw/zinc/43/41/29/571434129.db2.gz CJXJFOVCGRTKDE-UHFFFAOYSA-N 0 0 521.534 3.431 40 5 KGBBRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)CC1 ZINC000112230616 571434166 /nfs/dbraw/zinc/43/41/66/571434166.db2.gz UVWAKZTXXSOPNW-UHFFFAOYSA-N 0 0 533.054 3.354 40 5 KGBBRN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 ZINC000112231343 571434250 /nfs/dbraw/zinc/43/42/50/571434250.db2.gz GCRXMVLLQDMPRY-UHFFFAOYSA-N 0 0 533.570 3.301 40 5 KGBBRN CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nn12 ZINC000112231685 571434275 /nfs/dbraw/zinc/43/42/75/571434275.db2.gz PWXVUAZAGYQILD-UHFFFAOYSA-N 0 0 538.615 3.287 40 5 KGBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nn12 ZINC000112231743 571434248 /nfs/dbraw/zinc/43/42/48/571434248.db2.gz HOBQQTGVDUWCBJ-UHFFFAOYSA-N 0 0 538.615 3.341 40 5 KGBBRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c(C)c3)nn12 ZINC000112231789 571434288 /nfs/dbraw/zinc/43/42/88/571434288.db2.gz GXYFDETZUKVKLK-UHFFFAOYSA-N 0 0 538.615 3.341 40 5 KGBBRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3C)nn12 ZINC000112231847 571434284 /nfs/dbraw/zinc/43/42/84/571434284.db2.gz RGTRNVSAQGOLTL-UHFFFAOYSA-N 0 0 538.615 3.341 40 5 KGBBRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1 ZINC000112232135 571434355 /nfs/dbraw/zinc/43/43/55/571434355.db2.gz OPDIXVNXILECSE-UHFFFAOYSA-N 0 0 540.646 3.007 40 5 KGBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112232373 571434368 /nfs/dbraw/zinc/43/43/68/571434368.db2.gz JWALRYPALYLAIJ-UHFFFAOYSA-N 0 0 539.536 3.414 40 5 KGBBRN COc1ccc(C(=O)NC(=S)N(Cc2ccc(OCC(N)=O)c(OC)c2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000112232486 571434379 /nfs/dbraw/zinc/43/43/79/571434379.db2.gz QZDAUODMDIWOLZ-UHFFFAOYSA-N 0 0 530.603 3.326 40 5 KGBBRN O=C(NC(=S)Nc1ccc(I)cc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112233199 571434429 /nfs/dbraw/zinc/43/44/29/571434429.db2.gz RLPWIQUYGNMQRJ-UHFFFAOYSA-N 0 0 530.319 3.302 40 5 KGBBRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112234187 571434552 /nfs/dbraw/zinc/43/45/52/571434552.db2.gz YMBGQMZACZZTFC-UHFFFAOYSA-N 0 0 525.543 3.412 40 5 KGBBRN COc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)c1ccco1 ZINC000112234246 571434522 /nfs/dbraw/zinc/43/45/22/571434522.db2.gz VYDSESPVBPXBSY-UHFFFAOYSA-N 0 0 525.543 3.412 40 5 KGBBRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nn12 ZINC000112234502 571434578 /nfs/dbraw/zinc/43/45/78/571434578.db2.gz OVPKHNGWJSWUGU-UHFFFAOYSA-N 0 0 524.588 3.033 40 5 KGBBRN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nn12 ZINC000112234565 571434600 /nfs/dbraw/zinc/43/46/00/571434600.db2.gz IRQABEGOZUSAME-UHFFFAOYSA-N 0 0 524.588 3.033 40 5 KGBBRN Cc1cc(I)ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112234590 571434533 /nfs/dbraw/zinc/43/45/33/571434533.db2.gz FNQWYGQNIKAYCW-UHFFFAOYSA-N 0 0 526.356 3.471 40 5 KGBBRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nn12 ZINC000112234639 571434610 /nfs/dbraw/zinc/43/46/10/571434610.db2.gz CRGSFJRHVNKCCB-UHFFFAOYSA-N 0 0 524.588 3.033 40 5 KGBBRN COc1cc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc(OC)c1OC ZINC000112234825 571434513 /nfs/dbraw/zinc/43/45/13/571434513.db2.gz RBNPVUMWXNUOQD-UHFFFAOYSA-N 0 0 528.509 3.476 40 5 KGBBRN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112237831 571434962 /nfs/dbraw/zinc/43/49/62/571434962.db2.gz BIKUSKLVDPUTLZ-UHFFFAOYSA-N 0 0 568.534 3.195 40 5 KGBBRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)CC1 ZINC000112242840 571435368 /nfs/dbraw/zinc/43/53/68/571435368.db2.gz NNGAVOWMKQMVDC-UHFFFAOYSA-N 0 0 561.064 3.270 40 5 KGBBRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 ZINC000112247658 571436363 /nfs/dbraw/zinc/43/63/63/571436363.db2.gz STKZLARBDQNKAV-UHFFFAOYSA-N 0 0 546.627 3.459 40 5 KGBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000112253761 571436825 /nfs/dbraw/zinc/43/68/25/571436825.db2.gz FDICKIGZPHPSSU-UHFFFAOYSA-N 0 0 604.663 3.231 40 5 KGBBRN C[C@@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000118913520 571443716 /nfs/dbraw/zinc/44/37/16/571443716.db2.gz UMCMPZBLKLEWAF-WFYKOCJGSA-O 0 0 615.898 3.225 40 5 in-vitro KGBBRN C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000118913521 571443729 /nfs/dbraw/zinc/44/37/29/571443729.db2.gz UMCMPZBLKLEWAF-BAHYVLIUSA-O 0 0 615.898 3.225 40 5 in-vitro KGBBRN O=C(COc1ccccc1[N+](=O)[O-])OCCN1C(=O)[C@H]2[C@@H]3c4ccccc4C34c3ccccc3[C@@H]4[C@@H]2C1=O ZINC000137801885 571450724 /nfs/dbraw/zinc/45/07/24/571450724.db2.gz PNYLSUBREFHZOE-DYEJRGTMSA-N 0 0 510.502 3.312 40 5 KGBBRN COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000138641895 571451641 /nfs/dbraw/zinc/45/16/41/571451641.db2.gz DEWQTPFRSHKPNB-UHFFFAOYSA-N 0 0 504.411 3.048 40 5 KGBBRN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000150392142 571474473 /nfs/dbraw/zinc/47/44/73/571474473.db2.gz OBZBJGBEZKOWAN-CEUYOYMZSA-N 0 0 774.872 3.265 40 5 KGBBRN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000150392144 571474438 /nfs/dbraw/zinc/47/44/38/571474438.db2.gz OBZBJGBEZKOWAN-SLGZMBILSA-N 0 0 774.872 3.265 40 5 KGBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N1CCN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000150399343 571477586 /nfs/dbraw/zinc/47/75/86/571477586.db2.gz FYIXWXRBNYJMDN-UHFFFAOYSA-N 0 0 722.758 3.265 40 5 KGBBRN O=C(CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)Nc1c(I)cc([N+](=O)[O-])cc1I ZINC000150405618 571479327 /nfs/dbraw/zinc/47/93/27/571479327.db2.gz QFMUAHPDMVJEJP-NWDGAFQWSA-N 0 0 620.185 3.024 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150442802 571499145 /nfs/dbraw/zinc/49/91/45/571499145.db2.gz WAQLCJPTLWVHKQ-ZPVURNRZSA-N 0 0 665.702 3.491 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150442808 571499062 /nfs/dbraw/zinc/49/90/62/571499062.db2.gz WAQLCJPTLWVHKQ-FBRKSOCZSA-N 0 0 665.702 3.491 40 5 KGBBRN C[C@@H](CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000150463098 571506925 /nfs/dbraw/zinc/50/69/25/571506925.db2.gz QZMZVDJMFCXBHD-QHCPKHFHSA-N 0 0 710.747 3.215 40 5 KGBBRN C[C@H](CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000150463104 571507069 /nfs/dbraw/zinc/50/70/69/571507069.db2.gz QZMZVDJMFCXBHD-HSZRJFAPSA-N 0 0 710.747 3.215 40 5 KGBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000150465417 571507805 /nfs/dbraw/zinc/50/78/05/571507805.db2.gz GFCFAULGWUNTNV-ULJHMMPZSA-N 0 0 635.659 3.490 40 5 KGBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000150487626 571516673 /nfs/dbraw/zinc/51/66/73/571516673.db2.gz KZXVTZPTQQOZNY-UHFFFAOYSA-N 0 0 710.747 3.216 40 5 KGBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)CC1 ZINC000150514339 571520013 /nfs/dbraw/zinc/52/00/13/571520013.db2.gz JZPCRHCUEOUJAR-UHFFFAOYSA-N 0 0 722.758 3.265 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000164652670 571550371 /nfs/dbraw/zinc/55/03/71/571550371.db2.gz VKGQNKIZCPOKIL-XSZPGNIMSA-N 0 0 643.516 3.314 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000164652790 571550302 /nfs/dbraw/zinc/55/03/02/571550302.db2.gz VKGQNKIZCPOKIL-XXMKCSCWSA-N 0 0 643.516 3.314 40 5 KGBBRN O=C(COc1ccccc1[N+](=O)[O-])OCCN1C(=O)[C@@H]2[C@@H]3c4ccccc4C34c3ccccc3[C@@H]4[C@@H]2C1=O ZINC000195528762 571563285 /nfs/dbraw/zinc/56/32/85/571563285.db2.gz PNYLSUBREFHZOE-WTBKDAHISA-N 0 0 510.502 3.312 40 5 KGBBRN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2nc3c(nc12)c(C(=O)OCC)nn3-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000195809276 1059554244 /nfs/dbraw/zinc/55/42/44/1059554244.db2.gz PLJMDZTXMCMIBV-UHFFFAOYSA-N 0 0 636.450 3.141 40 5 KGBBRN COc1ccc(N(CC(=O)NC[C@H](C)NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000197886431 571566075 /nfs/dbraw/zinc/56/60/75/571566075.db2.gz CFHGIDJAZJOLRD-QHCPKHFHSA-N 0 0 830.851 3.249 40 5 KGBBRN COc1ccc(N(CC(=O)NC[C@@H](C)NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000197886435 571566053 /nfs/dbraw/zinc/56/60/53/571566053.db2.gz CFHGIDJAZJOLRD-HSZRJFAPSA-N 0 0 830.851 3.249 40 5 KGBBRN COc1ccc(N(CC(=O)NCCCNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000197886467 571565987 /nfs/dbraw/zinc/56/59/87/571565987.db2.gz ILYXOTZNDABNSV-UHFFFAOYSA-N 0 0 830.851 3.251 40 5 KGBBRN COc1ccc(N(CC(=O)N2CCN(C(=O)CN(c3ccc(OC)cc3OC)S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000197886487 571566077 /nfs/dbraw/zinc/56/60/77/571566077.db2.gz AWPPQHFGECKRAE-UHFFFAOYSA-N 0 0 842.862 3.299 40 5 KGBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N/C(=O)/C=C/C=C/SC ZINC000205447605 571569561 /nfs/dbraw/zinc/56/95/61/571569561.db2.gz NFIDEKLGVZPWOT-UAGSCDIZSA-N 0 0 510.616 3.421 40 5 KGBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)N1CCOCC1 ZINC000214274777 571578194 /nfs/dbraw/zinc/57/81/94/571578194.db2.gz CAHRPKRZXRMBON-YBFXNURJSA-N 0 0 514.472 3.190 40 5 KGBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)N1CCOCC1 ZINC000214281459 571578232 /nfs/dbraw/zinc/57/82/32/571578232.db2.gz HHKOUHVQWUTDIZ-YBFXNURJSA-N 0 0 514.472 3.190 40 5 KGBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)N1CCOCC1 ZINC000214287755 571578483 /nfs/dbraw/zinc/57/84/83/571578483.db2.gz MZDQWGFXOBNCHN-YBFXNURJSA-N 0 0 514.472 3.190 40 5 KGBBRN O=C(CN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)N1CCOCC1 ZINC000214291144 571578360 /nfs/dbraw/zinc/57/83/60/571578360.db2.gz AJUVNACAHRHPRQ-LPYMAVHISA-N 0 0 506.540 3.493 40 5 KGBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214297119 571578466 /nfs/dbraw/zinc/57/84/66/571578466.db2.gz DJJWRGCKYDDHSK-RGVLZGJSSA-N 0 0 544.498 3.199 40 5 KGBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214303407 571578379 /nfs/dbraw/zinc/57/83/79/571578379.db2.gz ZYMKXFBRJDYGJP-FYJGNVAPSA-N 0 0 513.528 3.078 40 5 KGBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214303851 571578423 /nfs/dbraw/zinc/57/84/23/571578423.db2.gz XIFYUKCQUIMDDF-HYARGMPZSA-N 0 0 527.555 3.468 40 5 KGBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000214305148 571578350 /nfs/dbraw/zinc/57/83/50/571578350.db2.gz UFOQLJRIIXXORM-HYARGMPZSA-N 0 0 527.555 3.468 40 5 KGBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214316958 571578573 /nfs/dbraw/zinc/57/85/73/571578573.db2.gz MRYNSSUXNWDHMX-FYJGNVAPSA-N 0 0 513.528 3.078 40 5 KGBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214317250 571578540 /nfs/dbraw/zinc/57/85/40/571578540.db2.gz OMBRNKOSCNVLTL-HYARGMPZSA-N 0 0 527.555 3.468 40 5 KGBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214317610 571578623 /nfs/dbraw/zinc/57/86/23/571578623.db2.gz GQTDTGCKXPAWGZ-YBFXNURJSA-N 0 0 544.498 3.199 40 5 KGBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000214680659 571580440 /nfs/dbraw/zinc/58/04/40/571580440.db2.gz HHZUNYWGULLMGJ-CIAFOILYSA-N 0 0 513.528 3.078 40 5 KGBBRN COc1ccc(N(CC(=O)NCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000216467349 571596668 /nfs/dbraw/zinc/59/66/68/571596668.db2.gz VNFOXYWHGURVJU-UHFFFAOYSA-N 0 0 529.571 3.441 40 5 KGBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000217402363 1059578810 /nfs/dbraw/zinc/57/88/10/1059578810.db2.gz ZRJWELUCTUFVLP-BHIFYINESA-N 0 0 506.427 3.268 40 5 KGBBRN O=C(N[C@@H](NC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000217420320 571601406 /nfs/dbraw/zinc/60/14/06/571601406.db2.gz FVTOEQCNZVBCID-CFZJUORYSA-N 0 0 544.848 3.176 40 5 KGBBRN O=C(N[C@H](NC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000217420403 571601426 /nfs/dbraw/zinc/60/14/26/571601426.db2.gz FVTOEQCNZVBCID-BBEJJTJUSA-N 0 0 544.848 3.176 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222394953 571605613 /nfs/dbraw/zinc/60/56/13/571605613.db2.gz LTHCGRSZEXMNSW-QFIPXVFZSA-N 0 0 518.636 3.310 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222395015 571605638 /nfs/dbraw/zinc/60/56/38/571605638.db2.gz LTHCGRSZEXMNSW-JOCHJYFZSA-N 0 0 518.636 3.310 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222406024 571360442 /nfs/dbraw/zinc/36/04/42/571360442.db2.gz JEANLYVTODSNDI-HXUWFJFHSA-N 0 0 524.599 3.262 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222406082 571360463 /nfs/dbraw/zinc/36/04/63/571360463.db2.gz JEANLYVTODSNDI-FQEVSTJZSA-N 0 0 524.599 3.262 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222406154 571360478 /nfs/dbraw/zinc/36/04/78/571360478.db2.gz ADDCCRZVBHANBL-HXUWFJFHSA-N 0 0 524.599 3.262 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222406216 571360472 /nfs/dbraw/zinc/36/04/72/571360472.db2.gz ADDCCRZVBHANBL-FQEVSTJZSA-N 0 0 524.599 3.262 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222434297 571361038 /nfs/dbraw/zinc/36/10/38/571361038.db2.gz UOIXZMCFDXIUQC-QFIPXVFZSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222434354 571361062 /nfs/dbraw/zinc/36/10/62/571361062.db2.gz UOIXZMCFDXIUQC-JOCHJYFZSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222438218 571361089 /nfs/dbraw/zinc/36/10/89/571361089.db2.gz PSOQBFSIWGJDCL-NRFANRHFSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222438279 571361120 /nfs/dbraw/zinc/36/11/20/571361120.db2.gz PSOQBFSIWGJDCL-OAQYLSRUSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222441443 571361090 /nfs/dbraw/zinc/36/10/90/571361090.db2.gz KZMRRXJKUQRYCQ-QFIPXVFZSA-N 0 0 518.636 3.310 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222441507 571361088 /nfs/dbraw/zinc/36/10/88/571361088.db2.gz KZMRRXJKUQRYCQ-JOCHJYFZSA-N 0 0 518.636 3.310 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222452011 571361298 /nfs/dbraw/zinc/36/12/98/571361298.db2.gz BLQPKKLHPWNSAU-HXUWFJFHSA-N 0 0 524.599 3.262 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222452074 571361324 /nfs/dbraw/zinc/36/13/24/571361324.db2.gz BLQPKKLHPWNSAU-FQEVSTJZSA-N 0 0 524.599 3.262 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222452168 571361323 /nfs/dbraw/zinc/36/13/23/571361323.db2.gz XFOXOJJLPOTOGB-HXUWFJFHSA-N 0 0 524.599 3.262 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222452227 571361342 /nfs/dbraw/zinc/36/13/42/571361342.db2.gz XFOXOJJLPOTOGB-FQEVSTJZSA-N 0 0 524.599 3.262 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222464601 571362012 /nfs/dbraw/zinc/36/20/12/571362012.db2.gz NBRPHXZNFXHKRQ-WZONZLPQSA-N 0 0 534.635 3.092 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222464660 571362155 /nfs/dbraw/zinc/36/21/55/571362155.db2.gz NBRPHXZNFXHKRQ-FDDCHVKYSA-N 0 0 534.635 3.092 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222468029 571362469 /nfs/dbraw/zinc/36/24/69/571362469.db2.gz WYOWTEQNOJDJBL-XMMPIXPASA-N 0 0 559.044 3.400 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222468088 571362472 /nfs/dbraw/zinc/36/24/72/571362472.db2.gz WYOWTEQNOJDJBL-DEOSSOPVSA-N 0 0 559.044 3.400 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222468818 571362592 /nfs/dbraw/zinc/36/25/92/571362592.db2.gz NWASOEMJNWWELR-XMSQKQJNSA-N 0 0 564.661 3.100 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222468874 571362607 /nfs/dbraw/zinc/36/26/07/571362607.db2.gz NWASOEMJNWWELR-PGRDOPGGSA-N 0 0 564.661 3.100 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222472028 571362991 /nfs/dbraw/zinc/36/29/91/571362991.db2.gz SLBIMMVVMWHARQ-XMMPIXPASA-N 0 0 589.070 3.409 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222472092 571363021 /nfs/dbraw/zinc/36/30/21/571363021.db2.gz SLBIMMVVMWHARQ-DEOSSOPVSA-N 0 0 589.070 3.409 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222472491 571363023 /nfs/dbraw/zinc/36/30/23/571363023.db2.gz LTAUCHAKPIBPTM-AUSIDOKSSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222472547 571362976 /nfs/dbraw/zinc/36/29/76/571362976.db2.gz LTAUCHAKPIBPTM-WMZHIEFXSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222481098 571363518 /nfs/dbraw/zinc/36/35/18/571363518.db2.gz KGCZYRDXIAJOJG-QFIPXVFZSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222481156 571363484 /nfs/dbraw/zinc/36/34/84/571363484.db2.gz KGCZYRDXIAJOJG-JOCHJYFZSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222485139 571363806 /nfs/dbraw/zinc/36/38/06/571363806.db2.gz RAEFEUPCCOCNJL-NRFANRHFSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222485200 571363813 /nfs/dbraw/zinc/36/38/13/571363813.db2.gz RAEFEUPCCOCNJL-OAQYLSRUSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222488428 571363959 /nfs/dbraw/zinc/36/39/59/571363959.db2.gz YTZCCDBFCQEJKK-QFIPXVFZSA-N 0 0 518.636 3.310 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222488489 571363998 /nfs/dbraw/zinc/36/39/98/571363998.db2.gz YTZCCDBFCQEJKK-JOCHJYFZSA-N 0 0 518.636 3.310 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222523945 571367023 /nfs/dbraw/zinc/36/70/23/571367023.db2.gz WBPIPUIDIQDHLR-RUZDIDTESA-N 0 0 556.616 3.194 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222524011 571367065 /nfs/dbraw/zinc/36/70/65/571367065.db2.gz WBPIPUIDIQDHLR-VWLOTQADSA-N 0 0 556.616 3.194 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222525208 571367166 /nfs/dbraw/zinc/36/71/66/571367166.db2.gz GZNFHPNSFOSURO-WZONZLPQSA-N 0 0 534.635 3.092 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222525276 571367182 /nfs/dbraw/zinc/36/71/82/571367182.db2.gz GZNFHPNSFOSURO-FDDCHVKYSA-N 0 0 534.635 3.092 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222529133 571367695 /nfs/dbraw/zinc/36/76/95/571367695.db2.gz LWUAKELUOJKKQH-NRFANRHFSA-N 0 0 525.027 3.346 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222529195 571367699 /nfs/dbraw/zinc/36/76/99/571367699.db2.gz LWUAKELUOJKKQH-OAQYLSRUSA-N 0 0 525.027 3.346 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222529633 571367821 /nfs/dbraw/zinc/36/78/21/571367821.db2.gz LPYHALQBGPNQGG-XMSQKQJNSA-N 0 0 564.661 3.100 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222529693 571367830 /nfs/dbraw/zinc/36/78/30/571367830.db2.gz LPYHALQBGPNQGG-PGRDOPGGSA-N 0 0 564.661 3.100 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222533126 571368248 /nfs/dbraw/zinc/36/82/48/571368248.db2.gz QEUNBYIRABSSOF-FQEVSTJZSA-N 0 0 555.053 3.355 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222533198 571368241 /nfs/dbraw/zinc/36/82/41/571368241.db2.gz QEUNBYIRABSSOF-HXUWFJFHSA-N 0 0 555.053 3.355 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222533290 571368243 /nfs/dbraw/zinc/36/82/43/571368243.db2.gz OVXZIVUZNGKCHO-AUSIDOKSSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222533348 571368306 /nfs/dbraw/zinc/36/83/06/571368306.db2.gz OVXZIVUZNGKCHO-WMZHIEFXSA-N 0 0 548.662 3.400 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222573785 571372666 /nfs/dbraw/zinc/37/26/66/571372666.db2.gz IFMVNUVZXLOPDU-RUZDIDTESA-N 0 0 556.616 3.194 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222573846 571372630 /nfs/dbraw/zinc/37/26/30/571372630.db2.gz IFMVNUVZXLOPDU-VWLOTQADSA-N 0 0 556.616 3.194 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222578803 571373085 /nfs/dbraw/zinc/37/30/85/571373085.db2.gz BFQSTQCBGMBPDQ-NRFANRHFSA-N 0 0 525.027 3.346 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222578879 571373138 /nfs/dbraw/zinc/37/31/38/571373138.db2.gz BFQSTQCBGMBPDQ-OAQYLSRUSA-N 0 0 525.027 3.346 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222583082 571373496 /nfs/dbraw/zinc/37/34/96/571373496.db2.gz GEDRWAKYESKOIK-FQEVSTJZSA-N 0 0 555.053 3.355 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222583160 571373510 /nfs/dbraw/zinc/37/35/10/571373510.db2.gz GEDRWAKYESKOIK-HXUWFJFHSA-N 0 0 555.053 3.355 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222589215 571374182 /nfs/dbraw/zinc/37/41/82/571374182.db2.gz UFJIJOKCVMIVHO-AUSIDOKSSA-N 0 0 518.636 3.125 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222589291 571374212 /nfs/dbraw/zinc/37/42/12/571374212.db2.gz UFJIJOKCVMIVHO-WMZHIEFXSA-N 0 0 518.636 3.125 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222593762 571374542 /nfs/dbraw/zinc/37/45/42/571374542.db2.gz WUSBXGQZYRRZEM-DENIHFKCSA-N 0 0 548.662 3.134 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000222593831 571374632 /nfs/dbraw/zinc/37/46/32/571374632.db2.gz WUSBXGQZYRRZEM-SIKLNZKXSA-N 0 0 548.662 3.134 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222594171 571374696 /nfs/dbraw/zinc/37/46/96/571374696.db2.gz PUAMCFULYXYVSI-GOSISDBHSA-N 0 0 528.562 3.093 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222594230 571374629 /nfs/dbraw/zinc/37/46/29/571374629.db2.gz PUAMCFULYXYVSI-SFHVURJKSA-N 0 0 528.562 3.093 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222594326 571374701 /nfs/dbraw/zinc/37/47/01/571374701.db2.gz IRYGFDQSVKDXPV-GOSISDBHSA-N 0 0 528.562 3.093 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222594389 571374681 /nfs/dbraw/zinc/37/46/81/571374681.db2.gz IRYGFDQSVKDXPV-SFHVURJKSA-N 0 0 528.562 3.093 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222598069 571375249 /nfs/dbraw/zinc/37/52/49/571375249.db2.gz RBONPARGPKEQSG-NFBKMPQASA-N 0 0 532.663 3.434 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222598138 571375164 /nfs/dbraw/zinc/37/51/64/571375164.db2.gz RBONPARGPKEQSG-NZQKXSOJSA-N 0 0 532.663 3.434 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222607126 571376017 /nfs/dbraw/zinc/37/60/17/571376017.db2.gz TZOKHFUVPOQYJF-LJQANCHMSA-N 0 0 572.615 3.410 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222607191 571375969 /nfs/dbraw/zinc/37/59/69/571375969.db2.gz TZOKHFUVPOQYJF-IBGZPJMESA-N 0 0 572.615 3.410 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222638207 571378911 /nfs/dbraw/zinc/37/89/11/571378911.db2.gz CBXJTTHYKUQLRM-NRFANRHFSA-N 0 0 522.599 3.140 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222638269 571378860 /nfs/dbraw/zinc/37/88/60/571378860.db2.gz CBXJTTHYKUQLRM-OAQYLSRUSA-N 0 0 522.599 3.140 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222657994 571380781 /nfs/dbraw/zinc/38/07/81/571380781.db2.gz FYWZMOCWYFUZJK-SFHVURJKSA-N 0 0 504.609 3.001 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222665850 571381562 /nfs/dbraw/zinc/38/15/62/571381562.db2.gz LTYOXQQZHLNRRZ-CQSZACIVSA-N 0 0 531.418 3.139 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222665909 571381601 /nfs/dbraw/zinc/38/16/01/571381601.db2.gz LTYOXQQZHLNRRZ-AWEZNQCLSA-N 0 0 531.418 3.139 40 5 KGBBRN Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C ZINC000222691626 571385023 /nfs/dbraw/zinc/38/50/23/571385023.db2.gz PGOROAYYVHTLIR-SFHVURJKSA-N 0 0 504.609 3.001 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222694829 571385388 /nfs/dbraw/zinc/38/53/88/571385388.db2.gz ZUQWMZNQCUWAAR-SFHVURJKSA-N 0 0 534.635 3.010 40 5 KGBBRN Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C ZINC000222697274 571385749 /nfs/dbraw/zinc/38/57/49/571385749.db2.gz SKZQFDLRIMSDDS-IBGZPJMESA-N 0 0 518.636 3.310 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222714099 571388198 /nfs/dbraw/zinc/38/81/98/571388198.db2.gz WOJGGWNMSIVWKP-CQSZACIVSA-N 0 0 531.418 3.139 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222714158 571388142 /nfs/dbraw/zinc/38/81/42/571388142.db2.gz WOJGGWNMSIVWKP-AWEZNQCLSA-N 0 0 531.418 3.139 40 5 KGBBRN Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222728369 571390327 /nfs/dbraw/zinc/39/03/27/571390327.db2.gz HREABHXIVARQMV-SFHVURJKSA-N 0 0 504.609 3.001 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222731057 571390670 /nfs/dbraw/zinc/39/06/70/571390670.db2.gz OHXPNMOUAUDNII-SFHVURJKSA-N 0 0 534.635 3.010 40 5 KGBBRN Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222733403 571391005 /nfs/dbraw/zinc/39/10/05/571391005.db2.gz KRVDHGYNCHAQMT-IBGZPJMESA-N 0 0 518.636 3.310 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222761405 571394206 /nfs/dbraw/zinc/39/42/06/571394206.db2.gz ISSQUYNUPYSZIM-CQSZACIVSA-N 0 0 531.418 3.139 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222761474 571394245 /nfs/dbraw/zinc/39/42/45/571394245.db2.gz ISSQUYNUPYSZIM-AWEZNQCLSA-N 0 0 531.418 3.139 40 5 KGBBRN Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222764204 571394644 /nfs/dbraw/zinc/39/46/44/571394644.db2.gz NAJWQYIGCNRBFK-SFHVURJKSA-N 0 0 504.609 3.001 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222766919 571394901 /nfs/dbraw/zinc/39/49/01/571394901.db2.gz VVJMSOBMWAJMJB-SFHVURJKSA-N 0 0 534.635 3.010 40 5 KGBBRN Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222769224 571395310 /nfs/dbraw/zinc/39/53/10/571395310.db2.gz SSLJRVXYXWORRU-IBGZPJMESA-N 0 0 518.636 3.310 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222799322 571399294 /nfs/dbraw/zinc/39/92/94/571399294.db2.gz JGOOXNCMLYIADB-HXUWFJFHSA-N 0 0 584.651 3.279 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222799394 571399231 /nfs/dbraw/zinc/39/92/31/571399231.db2.gz JGOOXNCMLYIADB-FQEVSTJZSA-N 0 0 584.651 3.279 40 5 KGBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222801975 571399660 /nfs/dbraw/zinc/39/96/60/571399660.db2.gz BMDSXKJVBGESGK-INIZCTEOSA-N 0 0 525.027 3.346 40 5 KGBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222802035 571399646 /nfs/dbraw/zinc/39/96/46/571399646.db2.gz BMDSXKJVBGESGK-MRXNPFEDSA-N 0 0 525.027 3.346 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222805336 571400161 /nfs/dbraw/zinc/40/01/61/571400161.db2.gz XOHFIMNVWJRZGP-INIZCTEOSA-N 0 0 555.053 3.355 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222832234 571403392 /nfs/dbraw/zinc/40/33/92/571403392.db2.gz OYNXTABZSJAUAP-QFIPXVFZSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222832313 571403386 /nfs/dbraw/zinc/40/33/86/571403386.db2.gz OYNXTABZSJAUAP-JOCHJYFZSA-N 0 0 534.635 3.010 40 5 KGBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222841364 571404433 /nfs/dbraw/zinc/40/44/33/571404433.db2.gz HLGWVZMVOCJWGC-INIZCTEOSA-N 0 0 525.027 3.346 40 5 KGBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222841428 571404429 /nfs/dbraw/zinc/40/44/29/571404429.db2.gz HLGWVZMVOCJWGC-MRXNPFEDSA-N 0 0 525.027 3.346 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222844774 571404904 /nfs/dbraw/zinc/40/49/04/571404904.db2.gz XPFLLDWIMPTGID-INIZCTEOSA-N 0 0 555.053 3.355 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222845699 571404990 /nfs/dbraw/zinc/40/49/90/571404990.db2.gz LJLAMLWIJQFIRY-HXUWFJFHSA-N 0 0 584.651 3.279 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222845768 571405024 /nfs/dbraw/zinc/40/50/24/571405024.db2.gz LJLAMLWIJQFIRY-FQEVSTJZSA-N 0 0 584.651 3.279 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222869116 571407808 /nfs/dbraw/zinc/40/78/08/571407808.db2.gz SYXVBVJAXYRBRQ-AREMUKBSSA-N 0 0 568.652 3.064 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222869172 571407773 /nfs/dbraw/zinc/40/77/73/571407773.db2.gz SYXVBVJAXYRBRQ-SANMLTNESA-N 0 0 568.652 3.064 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222879202 571409027 /nfs/dbraw/zinc/40/90/27/571409027.db2.gz ASYAIANOLALALS-XMMPIXPASA-N 0 0 507.543 3.377 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222879264 571409118 /nfs/dbraw/zinc/40/91/18/571409118.db2.gz ASYAIANOLALALS-DEOSSOPVSA-N 0 0 507.543 3.377 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222881782 571409290 /nfs/dbraw/zinc/40/92/90/571409290.db2.gz KXZAOUZLVMIYGM-QFIPXVFZSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222881853 571409375 /nfs/dbraw/zinc/40/93/75/571409375.db2.gz KXZAOUZLVMIYGM-JOCHJYFZSA-N 0 0 534.635 3.010 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222888247 571409884 /nfs/dbraw/zinc/40/98/84/571409884.db2.gz IKMRGCPFBWQUTG-KRWDZBQOSA-N 0 0 522.599 3.140 40 5 KGBBRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222893580 571410605 /nfs/dbraw/zinc/41/06/05/571410605.db2.gz USXCDBKBPKUOKA-OAQYLSRUSA-N 0 0 568.652 3.313 40 5 KGBBRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222893639 571410624 /nfs/dbraw/zinc/41/06/24/571410624.db2.gz USXCDBKBPKUOKA-NRFANRHFSA-N 0 0 568.652 3.313 40 5 KGBBRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222928094 571413933 /nfs/dbraw/zinc/41/39/33/571413933.db2.gz DYKGRKITUPYCBD-DEOSSOPVSA-N 0 0 524.599 3.344 40 5 KGBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222928158 571413953 /nfs/dbraw/zinc/41/39/53/571413953.db2.gz DYKGRKITUPYCBD-XMMPIXPASA-N 0 0 524.599 3.344 40 5 KGBBRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222928254 571414059 /nfs/dbraw/zinc/41/40/59/571414059.db2.gz BHEMSDLVZFZSGL-DEOSSOPVSA-N 0 0 524.599 3.344 40 5 KGBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222928316 571414051 /nfs/dbraw/zinc/41/40/51/571414051.db2.gz BHEMSDLVZFZSGL-XMMPIXPASA-N 0 0 524.599 3.344 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222930170 571414274 /nfs/dbraw/zinc/41/42/74/571414274.db2.gz FQTHDRXXKGDKCW-QFIPXVFZSA-N 0 0 518.636 3.044 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222930233 571414267 /nfs/dbraw/zinc/41/42/67/571414267.db2.gz FQTHDRXXKGDKCW-JOCHJYFZSA-N 0 0 518.636 3.044 40 5 KGBBRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222945433 571415821 /nfs/dbraw/zinc/41/58/21/571415821.db2.gz YRNZZCLJTWUQPW-LJQANCHMSA-N 0 0 542.589 3.483 40 5 KGBBRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222945496 571415820 /nfs/dbraw/zinc/41/58/20/571415820.db2.gz YRNZZCLJTWUQPW-IBGZPJMESA-N 0 0 542.589 3.483 40 5 KGBBRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222945576 571415956 /nfs/dbraw/zinc/41/59/56/571415956.db2.gz GPUCHVHVZOLWHQ-LJQANCHMSA-N 0 0 542.589 3.483 40 5 KGBBRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222945638 571415895 /nfs/dbraw/zinc/41/58/95/571415895.db2.gz GPUCHVHVZOLWHQ-IBGZPJMESA-N 0 0 542.589 3.483 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222978474 571419034 /nfs/dbraw/zinc/41/90/34/571419034.db2.gz FIEBETPWQPBDKB-LJQANCHMSA-N 0 0 504.609 3.003 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222978533 571419072 /nfs/dbraw/zinc/41/90/72/571419072.db2.gz FIEBETPWQPBDKB-IBGZPJMESA-N 0 0 504.609 3.003 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223019482 193946024 /nfs/dbraw/zinc/94/60/24/193946024.db2.gz JWZNAWMGJPSBLI-LJQANCHMSA-N 0 0 504.609 3.003 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223019550 571422452 /nfs/dbraw/zinc/42/24/52/571422452.db2.gz JWZNAWMGJPSBLI-IBGZPJMESA-N 0 0 504.609 3.003 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223023739 571422755 /nfs/dbraw/zinc/42/27/55/571422755.db2.gz QSFCSBPFKHTRRJ-LJQANCHMSA-N 0 0 534.635 3.011 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223023798 571422849 /nfs/dbraw/zinc/42/28/49/571422849.db2.gz QSFCSBPFKHTRRJ-IBGZPJMESA-N 0 0 534.635 3.011 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223027306 193948915 /nfs/dbraw/zinc/94/89/15/193948915.db2.gz XKGKCFTWAOPFAZ-HXUWFJFHSA-N 0 0 518.636 3.311 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223027366 571422997 /nfs/dbraw/zinc/42/29/97/571422997.db2.gz XKGKCFTWAOPFAZ-FQEVSTJZSA-N 0 0 518.636 3.311 40 5 KGBBRN COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223045715 571425550 /nfs/dbraw/zinc/42/55/50/571425550.db2.gz BNGYHJTZRYAQHU-SFHVURJKSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223051806 571426233 /nfs/dbraw/zinc/42/62/33/571426233.db2.gz ZICKOCPNHGDSAP-IAGOWNOFSA-N 0 0 525.027 3.346 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223051865 571426253 /nfs/dbraw/zinc/42/62/53/571426253.db2.gz ZICKOCPNHGDSAP-DLBZAZTESA-N 0 0 525.027 3.346 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223055979 571426649 /nfs/dbraw/zinc/42/66/49/571426649.db2.gz RXMGWWKALQHHLP-IAGOWNOFSA-N 0 0 555.053 3.355 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223056041 571426655 /nfs/dbraw/zinc/42/66/55/571426655.db2.gz RXMGWWKALQHHLP-DLBZAZTESA-N 0 0 555.053 3.355 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223068342 571427737 /nfs/dbraw/zinc/42/77/37/571427737.db2.gz BFOIFEJUFOBNPZ-LJQANCHMSA-N 0 0 504.609 3.003 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223068401 571427665 /nfs/dbraw/zinc/42/76/65/571427665.db2.gz BFOIFEJUFOBNPZ-IBGZPJMESA-N 0 0 504.609 3.003 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223072891 571428229 /nfs/dbraw/zinc/42/82/29/571428229.db2.gz LYXWDQMRCCQOOY-LJQANCHMSA-N 0 0 534.635 3.011 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223072947 571428239 /nfs/dbraw/zinc/42/82/39/571428239.db2.gz LYXWDQMRCCQOOY-IBGZPJMESA-N 0 0 534.635 3.011 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223076466 571428661 /nfs/dbraw/zinc/42/86/61/571428661.db2.gz SRKQCHWKSOIEPE-HXUWFJFHSA-N 0 0 518.636 3.311 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223076538 571428667 /nfs/dbraw/zinc/42/86/67/571428667.db2.gz SRKQCHWKSOIEPE-FQEVSTJZSA-N 0 0 518.636 3.311 40 5 KGBBRN COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223079835 571428894 /nfs/dbraw/zinc/42/88/94/571428894.db2.gz AHTINBWPJJXANR-SFHVURJKSA-N 0 0 534.635 3.010 40 5 KGBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223107020 571431959 /nfs/dbraw/zinc/43/19/59/571431959.db2.gz ATTAKCOMMSCJMN-RUZDIDTESA-N 0 0 538.626 3.137 40 5 KGBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223107080 571431965 /nfs/dbraw/zinc/43/19/65/571431965.db2.gz ATTAKCOMMSCJMN-VWLOTQADSA-N 0 0 538.626 3.137 40 5 KGBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223111128 571432443 /nfs/dbraw/zinc/43/24/43/571432443.db2.gz PBIXIUYJXGYAJP-RUZDIDTESA-N 0 0 568.652 3.146 40 5 KGBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223111189 571432418 /nfs/dbraw/zinc/43/24/18/571432418.db2.gz PBIXIUYJXGYAJP-VWLOTQADSA-N 0 0 568.652 3.146 40 5 KGBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223114472 571432986 /nfs/dbraw/zinc/43/29/86/571432986.db2.gz LLJYYQIYABSFML-AREMUKBSSA-N 0 0 552.653 3.445 40 5 KGBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223114526 571432993 /nfs/dbraw/zinc/43/29/93/571432993.db2.gz LLJYYQIYABSFML-SANMLTNESA-N 0 0 552.653 3.445 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223117334 571433380 /nfs/dbraw/zinc/43/33/80/571433380.db2.gz PQPPTLMAAAAKDM-QZTJIDSGSA-N 0 0 522.599 3.140 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223117394 571433324 /nfs/dbraw/zinc/43/33/24/571433324.db2.gz PQPPTLMAAAAKDM-ZWKOTPCHSA-N 0 0 522.599 3.140 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000223117879 571433476 /nfs/dbraw/zinc/43/34/76/571433476.db2.gz DVYLVCGHJVYYGZ-IBGZPJMESA-N 0 0 518.636 3.044 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223118714 571433423 /nfs/dbraw/zinc/43/34/23/571433423.db2.gz WFLFKQSZKGVXBD-LJQANCHMSA-N 0 0 504.609 3.003 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223118770 571433560 /nfs/dbraw/zinc/43/35/60/571433560.db2.gz WFLFKQSZKGVXBD-IBGZPJMESA-N 0 0 504.609 3.003 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223122929 571433874 /nfs/dbraw/zinc/43/38/74/571433874.db2.gz PWHBJLPCPUCTCC-LJQANCHMSA-N 0 0 534.635 3.011 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223122989 571433877 /nfs/dbraw/zinc/43/38/77/571433877.db2.gz PWHBJLPCPUCTCC-IBGZPJMESA-N 0 0 534.635 3.011 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223126662 571434176 /nfs/dbraw/zinc/43/41/76/571434176.db2.gz FGOFEHRZDCOBGO-HXUWFJFHSA-N 0 0 518.636 3.311 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223126726 571434221 /nfs/dbraw/zinc/43/42/21/571434221.db2.gz FGOFEHRZDCOBGO-FQEVSTJZSA-N 0 0 518.636 3.311 40 5 KGBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223154359 571437418 /nfs/dbraw/zinc/43/74/18/571437418.db2.gz QVOIWMLABAIREK-AREMUKBSSA-N 0 0 552.653 3.445 40 5 KGBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223154410 571437358 /nfs/dbraw/zinc/43/73/58/571437358.db2.gz QVOIWMLABAIREK-SANMLTNESA-N 0 0 552.653 3.445 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223155554 571437603 /nfs/dbraw/zinc/43/76/03/571437603.db2.gz PHUJXGJXBHUDJF-NRFANRHFSA-N 0 0 504.609 3.083 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223155614 571437648 /nfs/dbraw/zinc/43/76/48/571437648.db2.gz PHUJXGJXBHUDJF-OAQYLSRUSA-N 0 0 504.609 3.083 40 5 KGBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223158524 571438141 /nfs/dbraw/zinc/43/81/41/571438141.db2.gz DIRQXHKJSMDAIY-AREMUKBSSA-N 0 0 582.679 3.454 40 5 KGBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223158596 571438124 /nfs/dbraw/zinc/43/81/24/571438124.db2.gz DIRQXHKJSMDAIY-SANMLTNESA-N 0 0 582.679 3.454 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223159520 571438241 /nfs/dbraw/zinc/43/82/41/571438241.db2.gz HUKRUGWOYUAQGT-FQEVSTJZSA-N 0 0 534.635 3.092 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223159573 571438348 /nfs/dbraw/zinc/43/83/48/571438348.db2.gz HUKRUGWOYUAQGT-HXUWFJFHSA-N 0 0 534.635 3.092 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223162828 571439012 /nfs/dbraw/zinc/43/90/12/571439012.db2.gz XCHGVMLLRVWAHW-NRFANRHFSA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223162900 571438943 /nfs/dbraw/zinc/43/89/43/571438943.db2.gz XCHGVMLLRVWAHW-OAQYLSRUSA-N 0 0 518.636 3.391 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223167587 571439757 /nfs/dbraw/zinc/43/97/57/571439757.db2.gz KOFNCTPCOFBAAJ-QGZVFWFLSA-N 0 0 525.027 3.348 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223167642 571439737 /nfs/dbraw/zinc/43/97/37/571439737.db2.gz KOFNCTPCOFBAAJ-KRWDZBQOSA-N 0 0 525.027 3.348 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223169608 571440029 /nfs/dbraw/zinc/44/00/29/571440029.db2.gz YGSGAHBLWNJCRI-IAGOWNOFSA-N 0 0 569.478 3.455 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223169677 571440014 /nfs/dbraw/zinc/44/00/14/571440014.db2.gz YGSGAHBLWNJCRI-DLBZAZTESA-N 0 0 569.478 3.455 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223171453 571440378 /nfs/dbraw/zinc/44/03/78/571440378.db2.gz LUGXSBLGLNTFLZ-QGZVFWFLSA-N 0 0 555.053 3.356 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223171515 571440341 /nfs/dbraw/zinc/44/03/41/571440341.db2.gz LUGXSBLGLNTFLZ-KRWDZBQOSA-N 0 0 555.053 3.356 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223173628 571440651 /nfs/dbraw/zinc/44/06/51/571440651.db2.gz PGSWSPGXTMTVBQ-IAGOWNOFSA-N 0 0 599.504 3.464 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223173690 571440667 /nfs/dbraw/zinc/44/06/67/571440667.db2.gz PGSWSPGXTMTVBQ-DLBZAZTESA-N 0 0 599.504 3.464 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223201058 571444053 /nfs/dbraw/zinc/44/40/53/571444053.db2.gz HHUSNNPSKKYLOH-QFIPXVFZSA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223201113 571444129 /nfs/dbraw/zinc/44/41/29/571444129.db2.gz HHUSNNPSKKYLOH-JOCHJYFZSA-N 0 0 518.636 3.391 40 5 KGBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223201349 571444124 /nfs/dbraw/zinc/44/41/24/571444124.db2.gz IUSUQCHDWIQLJP-AREMUKBSSA-N 0 0 552.653 3.445 40 5 KGBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223201412 571444164 /nfs/dbraw/zinc/44/41/64/571444164.db2.gz IUSUQCHDWIQLJP-SANMLTNESA-N 0 0 552.653 3.445 40 5 KGBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223204030 571444576 /nfs/dbraw/zinc/44/45/76/571444576.db2.gz FXYPJPKOOGRKSI-DEOSSOPVSA-N 0 0 542.589 3.483 40 5 KGBBRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223204095 571444596 /nfs/dbraw/zinc/44/45/96/571444596.db2.gz FXYPJPKOOGRKSI-XMMPIXPASA-N 0 0 542.589 3.483 40 5 KGBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223204178 571444592 /nfs/dbraw/zinc/44/45/92/571444592.db2.gz XZHXGFJLDXNALR-DEOSSOPVSA-N 0 0 542.589 3.483 40 5 KGBBRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223204228 571444632 /nfs/dbraw/zinc/44/46/32/571444632.db2.gz XZHXGFJLDXNALR-XMMPIXPASA-N 0 0 542.589 3.483 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223204850 571444724 /nfs/dbraw/zinc/44/47/24/571444724.db2.gz BLLWFUFECNGXCO-NRFANRHFSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223204912 571444729 /nfs/dbraw/zinc/44/47/29/571444729.db2.gz BLLWFUFECNGXCO-OAQYLSRUSA-N 0 0 548.662 3.400 40 5 KGBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223205718 571444842 /nfs/dbraw/zinc/44/48/42/571444842.db2.gz MHDRMRFETLDFPV-AREMUKBSSA-N 0 0 582.679 3.454 40 5 KGBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223205772 571444840 /nfs/dbraw/zinc/44/48/40/571444840.db2.gz MHDRMRFETLDFPV-SANMLTNESA-N 0 0 582.679 3.454 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223214350 571446113 /nfs/dbraw/zinc/44/61/13/571446113.db2.gz GUQHJZGSVCANMI-QGZVFWFLSA-N 0 0 525.027 3.348 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223214402 571446079 /nfs/dbraw/zinc/44/60/79/571446079.db2.gz GUQHJZGSVCANMI-KRWDZBQOSA-N 0 0 525.027 3.348 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223218316 571446665 /nfs/dbraw/zinc/44/66/65/571446665.db2.gz CXTQGAZIFCWXGO-QGZVFWFLSA-N 0 0 555.053 3.356 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223218371 571446688 /nfs/dbraw/zinc/44/66/88/571446688.db2.gz CXTQGAZIFCWXGO-KRWDZBQOSA-N 0 0 555.053 3.356 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223226268 571447498 /nfs/dbraw/zinc/44/74/98/571447498.db2.gz XXJDZRSBQWIUOF-IAGOWNOFSA-N 0 0 569.478 3.455 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223226328 571447563 /nfs/dbraw/zinc/44/75/63/571447563.db2.gz XXJDZRSBQWIUOF-DLBZAZTESA-N 0 0 569.478 3.455 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223230133 571448068 /nfs/dbraw/zinc/44/80/68/571448068.db2.gz IKBSIAZDFMPAFP-IAGOWNOFSA-N 0 0 599.504 3.464 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223230194 571448074 /nfs/dbraw/zinc/44/80/74/571448074.db2.gz IKBSIAZDFMPAFP-DLBZAZTESA-N 0 0 599.504 3.464 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223246462 571450008 /nfs/dbraw/zinc/45/00/08/571450008.db2.gz LVVJZWJLDQQTFF-QFIPXVFZSA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223246524 571450011 /nfs/dbraw/zinc/45/00/11/571450011.db2.gz LVVJZWJLDQQTFF-JOCHJYFZSA-N 0 0 518.636 3.391 40 5 KGBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223247559 571450244 /nfs/dbraw/zinc/45/02/44/571450244.db2.gz XNVPGKWXXGODTL-AREMUKBSSA-N 0 0 552.653 3.445 40 5 KGBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223247626 571450225 /nfs/dbraw/zinc/45/02/25/571450225.db2.gz XNVPGKWXXGODTL-SANMLTNESA-N 0 0 552.653 3.445 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223250333 571450780 /nfs/dbraw/zinc/45/07/80/571450780.db2.gz DEDKDUQZWOXVKM-NRFANRHFSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223250387 571450737 /nfs/dbraw/zinc/45/07/37/571450737.db2.gz DEDKDUQZWOXVKM-OAQYLSRUSA-N 0 0 548.662 3.400 40 5 KGBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223251438 571450988 /nfs/dbraw/zinc/45/09/88/571450988.db2.gz INBLZAQNSFTVLI-AREMUKBSSA-N 0 0 582.679 3.454 40 5 KGBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223251490 571450962 /nfs/dbraw/zinc/45/09/62/571450962.db2.gz INBLZAQNSFTVLI-SANMLTNESA-N 0 0 582.679 3.454 40 5 KGBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223261193 571452090 /nfs/dbraw/zinc/45/20/90/571452090.db2.gz CHQQKTBTOBAAQP-IBGZPJMESA-N 0 0 531.418 3.221 40 5 KGBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223261265 571452043 /nfs/dbraw/zinc/45/20/43/571452043.db2.gz CHQQKTBTOBAAQP-LJQANCHMSA-N 0 0 531.418 3.221 40 5 KGBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223264902 571452469 /nfs/dbraw/zinc/45/24/69/571452469.db2.gz PDQYFNAXKMZCHB-SFHVURJKSA-N 0 0 561.444 3.230 40 5 KGBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223264957 571452465 /nfs/dbraw/zinc/45/24/65/571452465.db2.gz PDQYFNAXKMZCHB-GOSISDBHSA-N 0 0 561.444 3.230 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223267859 571452784 /nfs/dbraw/zinc/45/27/84/571452784.db2.gz CDFSISKRMCGLLE-GOSISDBHSA-N 0 0 522.599 3.142 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223267923 571452711 /nfs/dbraw/zinc/45/27/11/571452711.db2.gz CDFSISKRMCGLLE-SFHVURJKSA-N 0 0 522.599 3.142 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223291759 571455947 /nfs/dbraw/zinc/45/59/47/571455947.db2.gz FMDCKCQHXIBRRU-QFIPXVFZSA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223291817 571456002 /nfs/dbraw/zinc/45/60/02/571456002.db2.gz FMDCKCQHXIBRRU-JOCHJYFZSA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223295592 571456642 /nfs/dbraw/zinc/45/66/42/571456642.db2.gz LUTUWZXPYZGCDE-NRFANRHFSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223295659 571456679 /nfs/dbraw/zinc/45/66/79/571456679.db2.gz LUTUWZXPYZGCDE-OAQYLSRUSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223305191 571458191 /nfs/dbraw/zinc/45/81/91/571458191.db2.gz MNRMCFRFRDMURT-IBGZPJMESA-N 0 0 531.418 3.221 40 5 KGBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223305243 571458280 /nfs/dbraw/zinc/45/82/80/571458280.db2.gz MNRMCFRFRDMURT-LJQANCHMSA-N 0 0 531.418 3.221 40 5 KGBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223308976 571458820 /nfs/dbraw/zinc/45/88/20/571458820.db2.gz ORTQETABUIGIDN-SFHVURJKSA-N 0 0 561.444 3.230 40 5 KGBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223309029 571458784 /nfs/dbraw/zinc/45/87/84/571458784.db2.gz ORTQETABUIGIDN-GOSISDBHSA-N 0 0 561.444 3.230 40 5 KGBBRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223349662 571464209 /nfs/dbraw/zinc/46/42/09/571464209.db2.gz YCYHSZVYBYRHFL-IBGZPJMESA-N 0 0 531.418 3.221 40 5 KGBBRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223349723 571464198 /nfs/dbraw/zinc/46/41/98/571464198.db2.gz YCYHSZVYBYRHFL-LJQANCHMSA-N 0 0 531.418 3.221 40 5 KGBBRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223353457 571464729 /nfs/dbraw/zinc/46/47/29/571464729.db2.gz IFBLPAHQGVHJBZ-SFHVURJKSA-N 0 0 561.444 3.230 40 5 KGBBRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223353507 571464731 /nfs/dbraw/zinc/46/47/31/571464731.db2.gz IFBLPAHQGVHJBZ-GOSISDBHSA-N 0 0 561.444 3.230 40 5 KGBBRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223381101 571468514 /nfs/dbraw/zinc/46/85/14/571468514.db2.gz UMLQQJGOYNONTA-VWLOTQADSA-N 0 0 554.625 3.352 40 5 KGBBRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223381167 571468593 /nfs/dbraw/zinc/46/85/93/571468593.db2.gz UMLQQJGOYNONTA-RUZDIDTESA-N 0 0 554.625 3.352 40 5 KGBBRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223381252 571468512 /nfs/dbraw/zinc/46/85/12/571468512.db2.gz LXWQFPWANBLSGN-VWLOTQADSA-N 0 0 554.625 3.352 40 5 KGBBRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223381314 571468543 /nfs/dbraw/zinc/46/85/43/571468543.db2.gz LXWQFPWANBLSGN-RUZDIDTESA-N 0 0 554.625 3.352 40 5 KGBBRN CC[C@@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223396196 571471057 /nfs/dbraw/zinc/47/10/57/571471057.db2.gz QKRGDGWCVGAGHW-ZDUSSCGKSA-N 0 0 503.628 3.386 40 5 KGBBRN CC[C@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223396256 571471101 /nfs/dbraw/zinc/47/11/01/571471101.db2.gz QKRGDGWCVGAGHW-CYBMUJFWSA-N 0 0 503.628 3.386 40 5 KGBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223424793 571474601 /nfs/dbraw/zinc/47/46/01/571474601.db2.gz IQJJYAJYAPHKDM-VWLOTQADSA-N 0 0 554.625 3.352 40 5 KGBBRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223424859 571474685 /nfs/dbraw/zinc/47/46/85/571474685.db2.gz IQJJYAJYAPHKDM-RUZDIDTESA-N 0 0 554.625 3.352 40 5 KGBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223424934 571474689 /nfs/dbraw/zinc/47/46/89/571474689.db2.gz ZDWDYTAQBWEDHM-VWLOTQADSA-N 0 0 554.625 3.352 40 5 KGBBRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223424992 571474654 /nfs/dbraw/zinc/47/46/54/571474654.db2.gz ZDWDYTAQBWEDHM-RUZDIDTESA-N 0 0 554.625 3.352 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223426475 571474854 /nfs/dbraw/zinc/47/48/54/571474854.db2.gz FHESGEDQAARLQB-NRFANRHFSA-N 0 0 522.599 3.222 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223426535 571474870 /nfs/dbraw/zinc/47/48/70/571474870.db2.gz FHESGEDQAARLQB-OAQYLSRUSA-N 0 0 522.599 3.222 40 5 KGBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223430293 571475357 /nfs/dbraw/zinc/47/53/57/571475357.db2.gz ZDXPLMOZMWYZOG-RUZDIDTESA-N 0 0 556.616 3.276 40 5 KGBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223430362 571475308 /nfs/dbraw/zinc/47/53/08/571475308.db2.gz ZDXPLMOZMWYZOG-VWLOTQADSA-N 0 0 556.616 3.276 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223430368 571475397 /nfs/dbraw/zinc/47/53/97/571475397.db2.gz WAUJRMWZPYUJLF-FQEVSTJZSA-N 0 0 552.625 3.231 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223430431 571475422 /nfs/dbraw/zinc/47/54/22/571475422.db2.gz WAUJRMWZPYUJLF-HXUWFJFHSA-N 0 0 552.625 3.231 40 5 KGBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223434210 571475982 /nfs/dbraw/zinc/47/59/82/571475982.db2.gz YQDAPWKIIDXFGY-RUZDIDTESA-N 0 0 586.642 3.285 40 5 KGBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223434274 571475928 /nfs/dbraw/zinc/47/59/28/571475928.db2.gz YQDAPWKIIDXFGY-VWLOTQADSA-N 0 0 586.642 3.285 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223453452 571478822 /nfs/dbraw/zinc/47/88/22/571478822.db2.gz TZADIDJOYDCETJ-LJQANCHMSA-N 0 0 534.635 3.011 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223453508 571478850 /nfs/dbraw/zinc/47/88/50/571478850.db2.gz TZADIDJOYDCETJ-IBGZPJMESA-N 0 0 534.635 3.011 40 5 KGBBRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223467721 571481713 /nfs/dbraw/zinc/48/17/13/571481713.db2.gz NOMFOSARQQKZBU-VWLOTQADSA-N 0 0 538.626 3.386 40 5 KGBBRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223467779 571481745 /nfs/dbraw/zinc/48/17/45/571481745.db2.gz NOMFOSARQQKZBU-RUZDIDTESA-N 0 0 538.626 3.386 40 5 KGBBRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223467855 571481680 /nfs/dbraw/zinc/48/16/80/571481680.db2.gz PXROBYWDWWPHGI-VWLOTQADSA-N 0 0 538.626 3.386 40 5 KGBBRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223467914 571481673 /nfs/dbraw/zinc/48/16/73/571481673.db2.gz PXROBYWDWWPHGI-RUZDIDTESA-N 0 0 538.626 3.386 40 5 KGBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223475209 571483218 /nfs/dbraw/zinc/48/32/18/571483218.db2.gz OYKHNQRLFCGXDV-RUZDIDTESA-N 0 0 556.616 3.276 40 5 KGBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223475278 571483171 /nfs/dbraw/zinc/48/31/71/571483171.db2.gz OYKHNQRLFCGXDV-VWLOTQADSA-N 0 0 556.616 3.276 40 5 KGBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223479113 571483941 /nfs/dbraw/zinc/48/39/41/571483941.db2.gz OHLRCOSOOLJPJK-RUZDIDTESA-N 0 0 586.642 3.285 40 5 KGBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223479182 571483928 /nfs/dbraw/zinc/48/39/28/571483928.db2.gz OHLRCOSOOLJPJK-VWLOTQADSA-N 0 0 586.642 3.285 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223499513 571487437 /nfs/dbraw/zinc/48/74/37/571487437.db2.gz BFJUJIJEKPCLQT-LJQANCHMSA-N 0 0 534.635 3.011 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223499571 571487429 /nfs/dbraw/zinc/48/74/29/571487429.db2.gz BFJUJIJEKPCLQT-IBGZPJMESA-N 0 0 534.635 3.011 40 5 KGBBRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223511198 571490148 /nfs/dbraw/zinc/49/01/48/571490148.db2.gz IQRPSJAFHCNXTN-HXUWFJFHSA-N 0 0 524.599 3.344 40 5 KGBBRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223511248 571490162 /nfs/dbraw/zinc/49/01/62/571490162.db2.gz IQRPSJAFHCNXTN-FQEVSTJZSA-N 0 0 524.599 3.344 40 5 KGBBRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223511335 571490146 /nfs/dbraw/zinc/49/01/46/571490146.db2.gz ZPKULOKSSUWBCQ-HXUWFJFHSA-N 0 0 524.599 3.344 40 5 KGBBRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223511385 571490328 /nfs/dbraw/zinc/49/03/28/571490328.db2.gz ZPKULOKSSUWBCQ-FQEVSTJZSA-N 0 0 524.599 3.344 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223544439 571498768 /nfs/dbraw/zinc/49/87/68/571498768.db2.gz ZFIQJZWNIVAEAV-HXUWFJFHSA-N 0 0 518.636 3.045 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223544492 571498758 /nfs/dbraw/zinc/49/87/58/571498758.db2.gz ZFIQJZWNIVAEAV-FQEVSTJZSA-N 0 0 518.636 3.045 40 5 KGBBRN CC[C@@H](C(=O)NCCOc1cccc2ccccc21)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223565553 571503078 /nfs/dbraw/zinc/50/30/78/571503078.db2.gz MCKPBCLXYUYJLP-FQEVSTJZSA-N 0 0 501.561 3.496 40 5 KGBBRN CC[C@H](C(=O)NCCOc1cccc2ccccc21)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223565604 571503054 /nfs/dbraw/zinc/50/30/54/571503054.db2.gz MCKPBCLXYUYJLP-HXUWFJFHSA-N 0 0 501.561 3.496 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1cccc2ccccc21)S(C)(=O)=O ZINC000223566975 571503470 /nfs/dbraw/zinc/50/34/70/571503470.db2.gz OCJNSLYUALSXOD-UHFFFAOYSA-N 0 0 501.561 3.498 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223584834 571507768 /nfs/dbraw/zinc/50/77/68/571507768.db2.gz IRDVXCOAISBOFX-JOCHJYFZSA-N 0 0 504.609 3.085 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223584891 571507801 /nfs/dbraw/zinc/50/78/01/571507801.db2.gz IRDVXCOAISBOFX-QFIPXVFZSA-N 0 0 504.609 3.085 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223588866 571508682 /nfs/dbraw/zinc/50/86/82/571508682.db2.gz MPZWDTGRFAKPPB-OAQYLSRUSA-N 0 0 534.635 3.093 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223588925 571508628 /nfs/dbraw/zinc/50/86/28/571508628.db2.gz MPZWDTGRFAKPPB-NRFANRHFSA-N 0 0 534.635 3.093 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223592072 571509381 /nfs/dbraw/zinc/50/93/81/571509381.db2.gz LAJYKZQDYFRHEF-JOCHJYFZSA-N 0 0 518.636 3.393 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223592138 571509261 /nfs/dbraw/zinc/50/92/61/571509261.db2.gz LAJYKZQDYFRHEF-QFIPXVFZSA-N 0 0 518.636 3.393 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223606826 571512530 /nfs/dbraw/zinc/51/25/30/571512530.db2.gz YPUZCCWTTBXXOM-QFIPXVFZSA-N 0 0 534.635 3.092 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223606880 571512499 /nfs/dbraw/zinc/51/24/99/571512499.db2.gz YPUZCCWTTBXXOM-JOCHJYFZSA-N 0 0 534.635 3.092 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223610622 571513265 /nfs/dbraw/zinc/51/32/65/571513265.db2.gz AXJDONHQFRARBA-NRFANRHFSA-N 0 0 564.661 3.100 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223610683 571513385 /nfs/dbraw/zinc/51/33/85/571513385.db2.gz AXJDONHQFRARBA-OAQYLSRUSA-N 0 0 564.661 3.100 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223613791 571514093 /nfs/dbraw/zinc/51/40/93/571514093.db2.gz BZPBDHFRAHNABZ-QFIPXVFZSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223613845 571514097 /nfs/dbraw/zinc/51/40/97/571514097.db2.gz BZPBDHFRAHNABZ-JOCHJYFZSA-N 0 0 548.662 3.400 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223632290 571517308 /nfs/dbraw/zinc/51/73/08/571517308.db2.gz QLPJHABNPIMECX-HSZRJFAPSA-N 0 0 518.636 3.393 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223632358 571517345 /nfs/dbraw/zinc/51/73/45/571517345.db2.gz QLPJHABNPIMECX-QHCPKHFHSA-N 0 0 518.636 3.393 40 5 KGBBRN CC[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223634742 571517680 /nfs/dbraw/zinc/51/76/80/571517680.db2.gz GRGUSCJBNKQNQR-NRFANRHFSA-N 0 0 501.561 3.496 40 5 KGBBRN CC[C@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223634802 571517798 /nfs/dbraw/zinc/51/77/98/571517798.db2.gz GRGUSCJBNKQNQR-OAQYLSRUSA-N 0 0 501.561 3.496 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223636081 571518105 /nfs/dbraw/zinc/51/81/05/571518105.db2.gz ZDLBIVLMBUUMAZ-JOCHJYFZSA-N 0 0 548.662 3.402 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccc2ccccc2c1)S(C)(=O)=O ZINC000223636090 571518123 /nfs/dbraw/zinc/51/81/23/571518123.db2.gz XQTHGDFPYHOARC-UHFFFAOYSA-N 0 0 501.561 3.498 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223636144 571518023 /nfs/dbraw/zinc/51/80/23/571518023.db2.gz ZDLBIVLMBUUMAZ-QFIPXVFZSA-N 0 0 548.662 3.402 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223651165 571520866 /nfs/dbraw/zinc/52/08/66/571520866.db2.gz YXSWRTQMMZDNAU-QFIPXVFZSA-N 0 0 534.635 3.092 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223651219 571520892 /nfs/dbraw/zinc/52/08/92/571520892.db2.gz YXSWRTQMMZDNAU-JOCHJYFZSA-N 0 0 534.635 3.092 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223654962 571521365 /nfs/dbraw/zinc/52/13/65/571521365.db2.gz DPRAVCJUZPCIOF-NRFANRHFSA-N 0 0 564.661 3.100 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223655023 571521319 /nfs/dbraw/zinc/52/13/19/571521319.db2.gz DPRAVCJUZPCIOF-OAQYLSRUSA-N 0 0 564.661 3.100 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223658128 571521757 /nfs/dbraw/zinc/52/17/57/571521757.db2.gz PQSYTTOWAFROQV-QFIPXVFZSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223658193 571521818 /nfs/dbraw/zinc/52/18/18/571521818.db2.gz PQSYTTOWAFROQV-JOCHJYFZSA-N 0 0 548.662 3.400 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223678047 571525303 /nfs/dbraw/zinc/52/53/03/571525303.db2.gz RDICRNCUBHJOPI-HSZRJFAPSA-N 0 0 518.636 3.393 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223678097 571525270 /nfs/dbraw/zinc/52/52/70/571525270.db2.gz RDICRNCUBHJOPI-QHCPKHFHSA-N 0 0 518.636 3.393 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223682827 571526162 /nfs/dbraw/zinc/52/61/62/571526162.db2.gz WAJUEJBVVFLQFA-JOCHJYFZSA-N 0 0 548.662 3.402 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223682880 571526258 /nfs/dbraw/zinc/52/62/58/571526258.db2.gz WAJUEJBVVFLQFA-QFIPXVFZSA-N 0 0 548.662 3.402 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223696324 571528917 /nfs/dbraw/zinc/52/89/17/571528917.db2.gz LKOPQTSQOTXMJJ-QFIPXVFZSA-N 0 0 518.636 3.125 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223696388 571528962 /nfs/dbraw/zinc/52/89/62/571528962.db2.gz LKOPQTSQOTXMJJ-JOCHJYFZSA-N 0 0 518.636 3.125 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223700034 571529455 /nfs/dbraw/zinc/52/94/55/571529455.db2.gz ZBQUCMJQFZFZOX-NRFANRHFSA-N 0 0 548.662 3.134 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223700095 571529426 /nfs/dbraw/zinc/52/94/26/571529426.db2.gz ZBQUCMJQFZFZOX-OAQYLSRUSA-N 0 0 548.662 3.134 40 5 KGBBRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223703166 571529800 /nfs/dbraw/zinc/52/98/00/571529800.db2.gz WNULGOCFQCMXRE-QFIPXVFZSA-N 0 0 532.663 3.434 40 5 KGBBRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223703232 571529891 /nfs/dbraw/zinc/52/98/91/571529891.db2.gz WNULGOCFQCMXRE-JOCHJYFZSA-N 0 0 532.663 3.434 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223724265 571533116 /nfs/dbraw/zinc/53/31/16/571533116.db2.gz ARMYLIVMAQOVND-HSZRJFAPSA-N 0 0 518.636 3.393 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223724312 571533203 /nfs/dbraw/zinc/53/32/03/571533203.db2.gz ARMYLIVMAQOVND-QHCPKHFHSA-N 0 0 518.636 3.393 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223728174 571533835 /nfs/dbraw/zinc/53/38/35/571533835.db2.gz VITFRAPXCRCLPV-JOCHJYFZSA-N 0 0 548.662 3.402 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223728223 571533848 /nfs/dbraw/zinc/53/38/48/571533848.db2.gz VITFRAPXCRCLPV-QFIPXVFZSA-N 0 0 548.662 3.402 40 5 KGBBRN COc1ccc(-c2nnc(NC(=O)CCCN(c3cc([N+](=O)[O-])ccc3OC)S(C)(=O)=O)s2)cc1 ZINC000223735334 571535239 /nfs/dbraw/zinc/53/52/39/571535239.db2.gz DUBOGZKIUTYZRU-UHFFFAOYSA-N 0 0 521.577 3.315 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223741860 571536447 /nfs/dbraw/zinc/53/64/47/571536447.db2.gz DKWWCAGUUQDJKX-IBGZPJMESA-N 0 0 516.620 3.145 40 5 KGBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223753566 571538379 /nfs/dbraw/zinc/53/83/79/571538379.db2.gz AUUOCLVZHWFDPR-AREMUKBSSA-N 0 0 568.652 3.146 40 5 KGBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223753627 571538417 /nfs/dbraw/zinc/53/84/17/571538417.db2.gz AUUOCLVZHWFDPR-SANMLTNESA-N 0 0 568.652 3.146 40 5 KGBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223758470 571539441 /nfs/dbraw/zinc/53/94/41/571539441.db2.gz MMKYVTXPVYRDMH-AREMUKBSSA-N 0 0 598.678 3.154 40 5 KGBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223758527 571539367 /nfs/dbraw/zinc/53/93/67/571539367.db2.gz MMKYVTXPVYRDMH-SANMLTNESA-N 0 0 598.678 3.154 40 5 KGBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223761921 571539795 /nfs/dbraw/zinc/53/97/95/571539795.db2.gz HKIYIDGFRAUGHL-HHHXNRCGSA-N 0 0 582.679 3.454 40 5 KGBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223761980 571539805 /nfs/dbraw/zinc/53/98/05/571539805.db2.gz HKIYIDGFRAUGHL-MHZLTWQESA-N 0 0 582.679 3.454 40 5 KGBBRN Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)[C@@H](C)C(=O)NC1CCCC1 ZINC000223773530 571541742 /nfs/dbraw/zinc/54/17/42/571541742.db2.gz VBBYFPJFNYGFDU-IBGZPJMESA-N 0 0 516.620 3.145 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223775939 571542167 /nfs/dbraw/zinc/54/21/67/571542167.db2.gz ALCBBQKWWGEYRO-IBGZPJMESA-N 0 0 546.646 3.154 40 5 KGBBRN Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@@H](C)C(=O)NC1CCCC1 ZINC000223778136 571542637 /nfs/dbraw/zinc/54/26/37/571542637.db2.gz PCFZHAXOXONFPR-FQEVSTJZSA-N 0 0 530.647 3.454 40 5 KGBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223779439 571542887 /nfs/dbraw/zinc/54/28/87/571542887.db2.gz ACQITFJTLCVDPR-LJQANCHMSA-N 0 0 542.589 3.483 40 5 KGBBRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223779495 571542971 /nfs/dbraw/zinc/54/29/71/571542971.db2.gz ACQITFJTLCVDPR-IBGZPJMESA-N 0 0 542.589 3.483 40 5 KGBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223779585 571542922 /nfs/dbraw/zinc/54/29/22/571542922.db2.gz ZYOJGDGPPMENLJ-LJQANCHMSA-N 0 0 542.589 3.483 40 5 KGBBRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223779648 571542911 /nfs/dbraw/zinc/54/29/11/571542911.db2.gz ZYOJGDGPPMENLJ-IBGZPJMESA-N 0 0 542.589 3.483 40 5 KGBBRN Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223804178 571548089 /nfs/dbraw/zinc/54/80/89/571548089.db2.gz KAGNLHHEZSDVAA-IBGZPJMESA-N 0 0 516.620 3.145 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223804631 571548452 /nfs/dbraw/zinc/54/84/52/571548452.db2.gz VXGPVWQVHPBJST-IBGZPJMESA-N 0 0 546.646 3.154 40 5 KGBBRN Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223805016 571548778 /nfs/dbraw/zinc/54/87/78/571548778.db2.gz UYPQJVXVPRPPBP-FQEVSTJZSA-N 0 0 530.647 3.454 40 5 KGBBRN Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223810614 571551378 /nfs/dbraw/zinc/55/13/78/571551378.db2.gz UJWZWYASDXLSIW-IBGZPJMESA-N 0 0 516.620 3.145 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223811103 571551608 /nfs/dbraw/zinc/55/16/08/571551608.db2.gz FBGILXKLLHFECN-IBGZPJMESA-N 0 0 546.646 3.154 40 5 KGBBRN Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223811557 571551925 /nfs/dbraw/zinc/55/19/25/571551925.db2.gz IQUSBYWSOZQOGO-FQEVSTJZSA-N 0 0 530.647 3.454 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223813361 571552698 /nfs/dbraw/zinc/55/26/98/571552698.db2.gz CDHFESOGHKTETR-JOCHJYFZSA-N 0 0 522.599 3.224 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223813370 571552731 /nfs/dbraw/zinc/55/27/31/571552731.db2.gz CDHFESOGHKTETR-QFIPXVFZSA-N 0 0 522.599 3.224 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223814172 571553083 /nfs/dbraw/zinc/55/30/83/571553083.db2.gz LSUKAVAKLHOXML-OAQYLSRUSA-N 0 0 552.625 3.232 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223814181 571553129 /nfs/dbraw/zinc/55/31/29/571553129.db2.gz LSUKAVAKLHOXML-NRFANRHFSA-N 0 0 552.625 3.232 40 5 KGBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223818107 571554630 /nfs/dbraw/zinc/55/46/30/571554630.db2.gz RFLAWLPMPMLHLR-KRWDZBQOSA-N 0 0 537.038 3.490 40 5 KGBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223818120 571554719 /nfs/dbraw/zinc/55/47/19/571554719.db2.gz RFLAWLPMPMLHLR-QGZVFWFLSA-N 0 0 537.038 3.490 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223818907 571555068 /nfs/dbraw/zinc/55/50/68/571555068.db2.gz PFHUIBZMNAPEOI-KRWDZBQOSA-N 0 0 567.064 3.499 40 5 KGBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223826804 571557495 /nfs/dbraw/zinc/55/74/95/571557495.db2.gz ROOUZQNOKCGRET-QGZVFWFLSA-N 0 0 525.027 3.266 40 5 KGBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223826859 571557403 /nfs/dbraw/zinc/55/74/03/571557403.db2.gz ROOUZQNOKCGRET-KRWDZBQOSA-N 0 0 525.027 3.266 40 5 KGBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223846401 571560797 /nfs/dbraw/zinc/56/07/97/571560797.db2.gz CSJRYLQBCHRLFT-KRWDZBQOSA-N 0 0 537.038 3.490 40 5 KGBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223846461 571560807 /nfs/dbraw/zinc/56/08/07/571560807.db2.gz CSJRYLQBCHRLFT-QGZVFWFLSA-N 0 0 537.038 3.490 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223849545 571561354 /nfs/dbraw/zinc/56/13/54/571561354.db2.gz XDFYGTUDXMUWSL-KRWDZBQOSA-N 0 0 567.064 3.499 40 5 KGBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223855451 571562376 /nfs/dbraw/zinc/56/23/76/571562376.db2.gz FUHZHSFAJMWBQL-CQSZACIVSA-N 0 0 531.418 3.221 40 5 KGBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223855500 571562418 /nfs/dbraw/zinc/56/24/18/571562418.db2.gz FUHZHSFAJMWBQL-AWEZNQCLSA-N 0 0 531.418 3.221 40 5 KGBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223859210 571563166 /nfs/dbraw/zinc/56/31/66/571563166.db2.gz VVBQPVXSSLJMKF-CQSZACIVSA-N 0 0 561.444 3.230 40 5 KGBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223859266 571563197 /nfs/dbraw/zinc/56/31/97/571563197.db2.gz VVBQPVXSSLJMKF-AWEZNQCLSA-N 0 0 561.444 3.230 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223888150 571568652 /nfs/dbraw/zinc/56/86/52/571568652.db2.gz CIMKTKRMBDGPHM-SFHVURJKSA-N 0 0 534.610 3.284 40 5 KGBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223898773 571570696 /nfs/dbraw/zinc/57/06/96/571570696.db2.gz XAZJAVHUXBIQIA-CQSZACIVSA-N 0 0 531.418 3.221 40 5 KGBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223898823 571570616 /nfs/dbraw/zinc/57/06/16/571570616.db2.gz XAZJAVHUXBIQIA-AWEZNQCLSA-N 0 0 531.418 3.221 40 5 KGBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223902477 571571469 /nfs/dbraw/zinc/57/14/69/571571469.db2.gz ADFOKHPKQPFRNF-CQSZACIVSA-N 0 0 561.444 3.230 40 5 KGBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223902539 571571524 /nfs/dbraw/zinc/57/15/24/571571524.db2.gz ADFOKHPKQPFRNF-AWEZNQCLSA-N 0 0 561.444 3.230 40 5 KGBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223909685 571573101 /nfs/dbraw/zinc/57/31/01/571573101.db2.gz VCONNHABCZPBJT-MRXNPFEDSA-N 0 0 555.451 3.067 40 5 KGBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223909738 571573133 /nfs/dbraw/zinc/57/31/33/571573133.db2.gz VCONNHABCZPBJT-INIZCTEOSA-N 0 0 555.451 3.067 40 5 KGBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223913490 571574140 /nfs/dbraw/zinc/57/41/40/571574140.db2.gz RISFNRPOAQDCDJ-MRXNPFEDSA-N 0 0 585.477 3.075 40 5 KGBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223913553 571574066 /nfs/dbraw/zinc/57/40/66/571574066.db2.gz RISFNRPOAQDCDJ-INIZCTEOSA-N 0 0 585.477 3.075 40 5 KGBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223916761 571574900 /nfs/dbraw/zinc/57/49/00/571574900.db2.gz NWZGUUFISBJFBZ-QGZVFWFLSA-N 0 0 569.478 3.375 40 5 KGBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223916820 571574969 /nfs/dbraw/zinc/57/49/69/571574969.db2.gz NWZGUUFISBJFBZ-KRWDZBQOSA-N 0 0 569.478 3.375 40 5 KGBBRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223943062 571580306 /nfs/dbraw/zinc/58/03/06/571580306.db2.gz BKOPOPBAHSEJRN-CQSZACIVSA-N 0 0 531.418 3.221 40 5 KGBBRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223943113 571580327 /nfs/dbraw/zinc/58/03/27/571580327.db2.gz BKOPOPBAHSEJRN-AWEZNQCLSA-N 0 0 531.418 3.221 40 5 KGBBRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223946811 571581119 /nfs/dbraw/zinc/58/11/19/571581119.db2.gz LSEJNOJNNXHCBA-CQSZACIVSA-N 0 0 561.444 3.230 40 5 KGBBRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223946872 571581022 /nfs/dbraw/zinc/58/10/22/571581022.db2.gz LSEJNOJNNXHCBA-AWEZNQCLSA-N 0 0 561.444 3.230 40 5 KGBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223954502 571582900 /nfs/dbraw/zinc/58/29/00/571582900.db2.gz VDZITICUEKMHJI-MRXNPFEDSA-N 0 0 555.451 3.067 40 5 KGBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223954555 571582962 /nfs/dbraw/zinc/58/29/62/571582962.db2.gz VDZITICUEKMHJI-INIZCTEOSA-N 0 0 555.451 3.067 40 5 KGBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223958334 571583747 /nfs/dbraw/zinc/58/37/47/571583747.db2.gz NKHDSDLOCGVCQF-MRXNPFEDSA-N 0 0 585.477 3.075 40 5 KGBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223958384 571583768 /nfs/dbraw/zinc/58/37/68/571583768.db2.gz NKHDSDLOCGVCQF-INIZCTEOSA-N 0 0 585.477 3.075 40 5 KGBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223961598 571584549 /nfs/dbraw/zinc/58/45/49/571584549.db2.gz VDTVXNABVYVSAT-QGZVFWFLSA-N 0 0 569.478 3.375 40 5 KGBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223961653 571584537 /nfs/dbraw/zinc/58/45/37/571584537.db2.gz VDTVXNABVYVSAT-KRWDZBQOSA-N 0 0 569.478 3.375 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223966836 571585292 /nfs/dbraw/zinc/58/52/92/571585292.db2.gz ACSMLZKBXIKPGG-HSZRJFAPSA-N 0 0 534.635 3.093 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223966897 571585415 /nfs/dbraw/zinc/58/54/15/571585415.db2.gz ACSMLZKBXIKPGG-QHCPKHFHSA-N 0 0 534.635 3.093 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223970689 571586005 /nfs/dbraw/zinc/58/60/05/571586005.db2.gz SFAIPDYXUPVTLW-JOCHJYFZSA-N 0 0 564.661 3.102 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223970750 571586025 /nfs/dbraw/zinc/58/60/25/571586025.db2.gz SFAIPDYXUPVTLW-QFIPXVFZSA-N 0 0 564.661 3.102 40 5 KGBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223973334 571586642 /nfs/dbraw/zinc/58/66/42/571586642.db2.gz YHXIUWFGRMLZTR-HXUWFJFHSA-N 0 0 554.625 3.352 40 5 KGBBRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223973388 571586578 /nfs/dbraw/zinc/58/65/78/571586578.db2.gz YHXIUWFGRMLZTR-FQEVSTJZSA-N 0 0 554.625 3.352 40 5 KGBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223973459 571586573 /nfs/dbraw/zinc/58/65/73/571586573.db2.gz HIIFJUNLFJEQFA-HXUWFJFHSA-N 0 0 554.625 3.352 40 5 KGBBRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223973517 571586537 /nfs/dbraw/zinc/58/65/37/571586537.db2.gz HIIFJUNLFJEQFA-FQEVSTJZSA-N 0 0 554.625 3.352 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223973882 571586766 /nfs/dbraw/zinc/58/67/66/571586766.db2.gz PUAUEQJDPYAIPH-HSZRJFAPSA-N 0 0 548.662 3.402 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223973934 571586811 /nfs/dbraw/zinc/58/68/11/571586811.db2.gz PUAUEQJDPYAIPH-QHCPKHFHSA-N 0 0 548.662 3.402 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224010257 571594705 /nfs/dbraw/zinc/59/47/05/571594705.db2.gz WAOFOAALPFBVMB-HSZRJFAPSA-N 0 0 534.635 3.093 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224010315 571594678 /nfs/dbraw/zinc/59/46/78/571594678.db2.gz WAOFOAALPFBVMB-QHCPKHFHSA-N 0 0 534.635 3.093 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224014035 571595376 /nfs/dbraw/zinc/59/53/76/571595376.db2.gz FQOOGKUKGZZSAJ-JOCHJYFZSA-N 0 0 564.661 3.102 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224014096 571595324 /nfs/dbraw/zinc/59/53/24/571595324.db2.gz FQOOGKUKGZZSAJ-QFIPXVFZSA-N 0 0 564.661 3.102 40 5 KGBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224016009 571595619 /nfs/dbraw/zinc/59/56/19/571595619.db2.gz OMIKCIRTZIEKKX-HXUWFJFHSA-N 0 0 554.625 3.352 40 5 KGBBRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224016065 571595837 /nfs/dbraw/zinc/59/58/37/571595837.db2.gz OMIKCIRTZIEKKX-FQEVSTJZSA-N 0 0 554.625 3.352 40 5 KGBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224016149 571595818 /nfs/dbraw/zinc/59/58/18/571595818.db2.gz XKMLMZCJUYYCLH-HXUWFJFHSA-N 0 0 554.625 3.352 40 5 KGBBRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224016210 571595839 /nfs/dbraw/zinc/59/58/39/571595839.db2.gz XKMLMZCJUYYCLH-FQEVSTJZSA-N 0 0 554.625 3.352 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224017155 571595995 /nfs/dbraw/zinc/59/59/95/571595995.db2.gz NUEBDSYGXPYRDZ-HSZRJFAPSA-N 0 0 548.662 3.402 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224017212 571595879 /nfs/dbraw/zinc/59/58/79/571595879.db2.gz NUEBDSYGXPYRDZ-QHCPKHFHSA-N 0 0 548.662 3.402 40 5 KGBBRN COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224032839 571598871 /nfs/dbraw/zinc/59/88/71/571598871.db2.gz NIAWYYOKUJHWHG-IBGZPJMESA-N 0 0 546.646 3.154 40 5 KGBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224033246 571598997 /nfs/dbraw/zinc/59/89/97/571598997.db2.gz TZYNJXDVCOZXLV-INIZCTEOSA-N 0 0 525.027 3.346 40 5 KGBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224033305 571598914 /nfs/dbraw/zinc/59/89/14/571598914.db2.gz TZYNJXDVCOZXLV-MRXNPFEDSA-N 0 0 525.027 3.346 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224036113 571599459 /nfs/dbraw/zinc/59/94/59/571599459.db2.gz YFPWDOSMMGIMJV-INIZCTEOSA-N 0 0 555.053 3.355 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224053534 571602678 /nfs/dbraw/zinc/60/26/78/571602678.db2.gz BBBIUCCYEZPAPS-HSZRJFAPSA-N 0 0 518.636 3.127 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224053595 571602645 /nfs/dbraw/zinc/60/26/45/571602645.db2.gz BBBIUCCYEZPAPS-QHCPKHFHSA-N 0 0 518.636 3.127 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224057319 571603587 /nfs/dbraw/zinc/60/35/87/571603587.db2.gz SZGHKHXOIXOQQA-JOCHJYFZSA-N 0 0 548.662 3.136 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224057380 571603668 /nfs/dbraw/zinc/60/36/68/571603668.db2.gz SZGHKHXOIXOQQA-QFIPXVFZSA-N 0 0 548.662 3.136 40 5 KGBBRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224058306 571603959 /nfs/dbraw/zinc/60/39/59/571603959.db2.gz LKVSCGZOLABKEC-OAQYLSRUSA-N 0 0 538.626 3.386 40 5 KGBBRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224058360 571604012 /nfs/dbraw/zinc/60/40/12/571604012.db2.gz LKVSCGZOLABKEC-NRFANRHFSA-N 0 0 538.626 3.386 40 5 KGBBRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224058436 571604009 /nfs/dbraw/zinc/60/40/09/571604009.db2.gz AXGFJBYLLYXLLV-OAQYLSRUSA-N 0 0 538.626 3.386 40 5 KGBBRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224058483 571603966 /nfs/dbraw/zinc/60/39/66/571603966.db2.gz AXGFJBYLLYXLLV-NRFANRHFSA-N 0 0 538.626 3.386 40 5 KGBBRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224060480 571604448 /nfs/dbraw/zinc/60/44/48/571604448.db2.gz JNZQQIKLBPZXGA-HSZRJFAPSA-N 0 0 532.663 3.435 40 5 KGBBRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224060533 571604591 /nfs/dbraw/zinc/60/45/91/571604591.db2.gz JNZQQIKLBPZXGA-QHCPKHFHSA-N 0 0 532.663 3.435 40 5 KGBBRN COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000224064314 571605305 /nfs/dbraw/zinc/60/53/05/571605305.db2.gz QVTQSLOCVXMFLK-IBGZPJMESA-N 0 0 546.646 3.154 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224073887 571606659 /nfs/dbraw/zinc/60/66/59/571606659.db2.gz BCYGHPNJQPOCRD-KRWDZBQOSA-N 0 0 522.599 3.140 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224098192 571609679 /nfs/dbraw/zinc/60/96/79/571609679.db2.gz ASGNAIYIYOKXHU-FQEVSTJZSA-N 0 0 530.647 3.188 40 5 KGBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224103181 571610269 /nfs/dbraw/zinc/61/02/69/571610269.db2.gz IRVYUKVUHWEJTG-INIZCTEOSA-N 0 0 569.478 3.455 40 5 KGBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224103236 571610436 /nfs/dbraw/zinc/61/04/36/571610436.db2.gz IRVYUKVUHWEJTG-MRXNPFEDSA-N 0 0 569.478 3.455 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224106184 571610870 /nfs/dbraw/zinc/61/08/70/571610870.db2.gz AGFOAMYOXUXIGO-INIZCTEOSA-N 0 0 599.504 3.464 40 5 KGBBRN Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C ZINC000224130255 571482476 /nfs/dbraw/zinc/48/24/76/571482476.db2.gz QJFGMLOEMFKGKD-FQEVSTJZSA-N 0 0 518.636 3.167 40 5 KGBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224133376 571483183 /nfs/dbraw/zinc/48/31/83/571483183.db2.gz NTHNHPAKIPJZAF-QHCPKHFHSA-N 0 0 516.620 3.227 40 5 KGBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224133429 571483083 /nfs/dbraw/zinc/48/30/83/571483083.db2.gz NTHNHPAKIPJZAF-HSZRJFAPSA-N 0 0 516.620 3.227 40 5 KGBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224136948 571483917 /nfs/dbraw/zinc/48/39/17/571483917.db2.gz YAWJEEPVRQIFMW-QFIPXVFZSA-N 0 0 546.646 3.236 40 5 KGBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224136997 571483953 /nfs/dbraw/zinc/48/39/53/571483953.db2.gz YAWJEEPVRQIFMW-JOCHJYFZSA-N 0 0 546.646 3.236 40 5 KGBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224138499 571484310 /nfs/dbraw/zinc/48/43/10/571484310.db2.gz DATPRPBMNCBWEM-INIZCTEOSA-N 0 0 569.478 3.455 40 5 KGBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224138548 571484324 /nfs/dbraw/zinc/48/43/24/571484324.db2.gz DATPRPBMNCBWEM-MRXNPFEDSA-N 0 0 569.478 3.455 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224141394 571484902 /nfs/dbraw/zinc/48/49/02/571484902.db2.gz SPKGLTDIPPXULE-INIZCTEOSA-N 0 0 599.504 3.464 40 5 KGBBRN Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224162045 571488659 /nfs/dbraw/zinc/48/86/59/571488659.db2.gz ASNUMWZCQFEZAT-FQEVSTJZSA-N 0 0 518.636 3.167 40 5 KGBBRN Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224194485 571494310 /nfs/dbraw/zinc/49/43/10/571494310.db2.gz OHWRIZGMKKECGC-FQEVSTJZSA-N 0 0 518.636 3.167 40 5 KGBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224223808 571500686 /nfs/dbraw/zinc/50/06/86/571500686.db2.gz DPGLVGBWSGQFRC-QGZVFWFLSA-N 0 0 525.027 3.204 40 5 KGBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224223863 571500631 /nfs/dbraw/zinc/50/06/31/571500631.db2.gz DPGLVGBWSGQFRC-KRWDZBQOSA-N 0 0 525.027 3.204 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000224226781 571501225 /nfs/dbraw/zinc/50/12/25/571501225.db2.gz RUHQTIQPKYAFCA-KRWDZBQOSA-N 0 0 555.053 3.212 40 5 KGBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224259542 571508454 /nfs/dbraw/zinc/50/84/54/571508454.db2.gz DUADYSGLDPYZSL-QGZVFWFLSA-N 0 0 525.027 3.204 40 5 KGBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224259601 571508532 /nfs/dbraw/zinc/50/85/32/571508532.db2.gz DUADYSGLDPYZSL-KRWDZBQOSA-N 0 0 525.027 3.204 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000224262484 571509113 /nfs/dbraw/zinc/50/91/13/571509113.db2.gz BZKGHRSOIWVQNT-KRWDZBQOSA-N 0 0 555.053 3.212 40 5 KGBBRN COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224291834 571514902 /nfs/dbraw/zinc/51/49/02/571514902.db2.gz OATBOGUDHSMQFP-UHFFFAOYSA-N 0 0 632.717 3.087 40 5 KGBBRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224295685 571515805 /nfs/dbraw/zinc/51/58/05/571515805.db2.gz UKVDKFVZJISDJP-HXUWFJFHSA-N 0 0 525.027 3.266 40 5 KGBBRN CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224295740 571515816 /nfs/dbraw/zinc/51/58/16/571515816.db2.gz UKVDKFVZJISDJP-FQEVSTJZSA-N 0 0 525.027 3.266 40 5 KGBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224337811 571525230 /nfs/dbraw/zinc/52/52/30/571525230.db2.gz QMHHKGJJWOKPJH-HXUWFJFHSA-N 0 0 525.027 3.266 40 5 KGBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224337864 571525190 /nfs/dbraw/zinc/52/51/90/571525190.db2.gz QMHHKGJJWOKPJH-FQEVSTJZSA-N 0 0 525.027 3.266 40 5 KGBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224362061 571530166 /nfs/dbraw/zinc/53/01/66/571530166.db2.gz LIXIIYYGMIMHBH-UHFFFAOYSA-N 0 0 602.691 3.160 40 5 KGBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224362141 571530179 /nfs/dbraw/zinc/53/01/79/571530179.db2.gz HYQCOCKXNZRWKD-UHFFFAOYSA-N 0 0 602.691 3.160 40 5 KGBBRN COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224369165 571531465 /nfs/dbraw/zinc/53/14/65/571531465.db2.gz REPDTDOEYOGEFO-UHFFFAOYSA-N 0 0 646.744 3.477 40 5 KGBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224386394 571535440 /nfs/dbraw/zinc/53/54/40/571535440.db2.gz RHVKWBXYDMSHCS-QHCPKHFHSA-N 0 0 534.610 3.366 40 5 KGBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224386447 571535397 /nfs/dbraw/zinc/53/53/97/571535397.db2.gz RHVKWBXYDMSHCS-HSZRJFAPSA-N 0 0 534.610 3.366 40 5 KGBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224389919 571536137 /nfs/dbraw/zinc/53/61/37/571536137.db2.gz OTPPXEKHHCFBRV-QFIPXVFZSA-N 0 0 564.636 3.375 40 5 KGBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224389971 571536160 /nfs/dbraw/zinc/53/61/60/571536160.db2.gz OTPPXEKHHCFBRV-JOCHJYFZSA-N 0 0 564.636 3.375 40 5 KGBBRN O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000224432481 571544679 /nfs/dbraw/zinc/54/46/79/571544679.db2.gz IQADODCDFDIJGJ-LHLOQNFPSA-N 0 0 537.594 3.352 40 5 KGBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224541354 571570234 /nfs/dbraw/zinc/57/02/34/571570234.db2.gz NDYTYHMZIIVBQH-QFIPXVFZSA-N 0 0 518.636 3.249 40 5 KGBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224541408 571570200 /nfs/dbraw/zinc/57/02/00/571570200.db2.gz NDYTYHMZIIVBQH-JOCHJYFZSA-N 0 0 518.636 3.249 40 5 KGBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224546863 571571533 /nfs/dbraw/zinc/57/15/33/571571533.db2.gz HNFSWXIAKPSIPG-DEOSSOPVSA-N 0 0 546.646 3.236 40 5 KGBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224546910 571571658 /nfs/dbraw/zinc/57/16/58/571571658.db2.gz HNFSWXIAKPSIPG-XMMPIXPASA-N 0 0 546.646 3.236 40 5 KGBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224550084 571572446 /nfs/dbraw/zinc/57/24/46/571572446.db2.gz CGRXALITKOWMPR-QHCPKHFHSA-N 0 0 576.672 3.244 40 5 KGBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224550134 571572443 /nfs/dbraw/zinc/57/24/43/571572443.db2.gz CGRXALITKOWMPR-HSZRJFAPSA-N 0 0 576.672 3.244 40 5 KGBBRN COc1ccc(N(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224550942 571572573 /nfs/dbraw/zinc/57/25/73/571572573.db2.gz SMGSMDPACFJNPC-UHFFFAOYSA-N 0 0 568.652 3.256 40 5 KGBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224573407 571577829 /nfs/dbraw/zinc/57/78/29/571577829.db2.gz REOZQYGWOJGJOO-QHCPKHFHSA-N 0 0 518.636 3.249 40 5 KGBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224573460 571577817 /nfs/dbraw/zinc/57/78/17/571577817.db2.gz REOZQYGWOJGJOO-HSZRJFAPSA-N 0 0 518.636 3.249 40 5 KGBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224576671 571578495 /nfs/dbraw/zinc/57/84/95/571578495.db2.gz ZMTVDIMPOOZVLV-QFIPXVFZSA-N 0 0 548.662 3.257 40 5 KGBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224576727 571578652 /nfs/dbraw/zinc/57/86/52/571578652.db2.gz ZMTVDIMPOOZVLV-JOCHJYFZSA-N 0 0 548.662 3.257 40 5 KGBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224584423 571580481 /nfs/dbraw/zinc/58/04/81/571580481.db2.gz IMCOAJQXYLLSMB-DEOSSOPVSA-N 0 0 546.646 3.236 40 5 KGBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224584470 571580547 /nfs/dbraw/zinc/58/05/47/571580547.db2.gz IMCOAJQXYLLSMB-XMMPIXPASA-N 0 0 546.646 3.236 40 5 KGBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224587684 571581365 /nfs/dbraw/zinc/58/13/65/571581365.db2.gz SFNWKUWRXBDOSK-QHCPKHFHSA-N 0 0 576.672 3.244 40 5 KGBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224587739 571581375 /nfs/dbraw/zinc/58/13/75/571581375.db2.gz SFNWKUWRXBDOSK-HSZRJFAPSA-N 0 0 576.672 3.244 40 5 KGBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224611570 571586395 /nfs/dbraw/zinc/58/63/95/571586395.db2.gz NRYLVWKWNJLART-QHCPKHFHSA-N 0 0 518.636 3.249 40 5 KGBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224611614 571586416 /nfs/dbraw/zinc/58/64/16/571586416.db2.gz NRYLVWKWNJLART-HSZRJFAPSA-N 0 0 518.636 3.249 40 5 KGBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224614768 571587106 /nfs/dbraw/zinc/58/71/06/571587106.db2.gz QEHWEWIXPKYXLU-QFIPXVFZSA-N 0 0 548.662 3.257 40 5 KGBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224614825 571587076 /nfs/dbraw/zinc/58/70/76/571587076.db2.gz QEHWEWIXPKYXLU-JOCHJYFZSA-N 0 0 548.662 3.257 40 5 KGBBRN CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224621326 571588563 /nfs/dbraw/zinc/58/85/63/571588563.db2.gz XMCHYTUDWJEMKM-DEOSSOPVSA-N 0 0 530.647 3.270 40 5 KGBBRN CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224621371 571588820 /nfs/dbraw/zinc/58/88/20/571588820.db2.gz XMCHYTUDWJEMKM-XMMPIXPASA-N 0 0 530.647 3.270 40 5 KGBBRN CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224624453 571589258 /nfs/dbraw/zinc/58/92/58/571589258.db2.gz ZMECMTQEXUGKFB-QHCPKHFHSA-N 0 0 560.673 3.278 40 5 KGBBRN CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224624504 571589287 /nfs/dbraw/zinc/58/92/87/571589287.db2.gz ZMECMTQEXUGKFB-HSZRJFAPSA-N 0 0 560.673 3.278 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000224632036 571590972 /nfs/dbraw/zinc/59/09/72/571590972.db2.gz YFBNNUJADVXWBM-KRWDZBQOSA-N 0 0 525.027 3.265 40 5 KGBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224647782 571594396 /nfs/dbraw/zinc/59/43/96/571594396.db2.gz JWILDFJCOOCGNO-QHCPKHFHSA-N 0 0 518.636 3.249 40 5 KGBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224647825 571594426 /nfs/dbraw/zinc/59/44/26/571594426.db2.gz JWILDFJCOOCGNO-HSZRJFAPSA-N 0 0 518.636 3.249 40 5 KGBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224650699 571595319 /nfs/dbraw/zinc/59/53/19/571595319.db2.gz WRQHHSQEYRRWTL-QFIPXVFZSA-N 0 0 548.662 3.257 40 5 KGBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224650748 571595281 /nfs/dbraw/zinc/59/52/81/571595281.db2.gz WRQHHSQEYRRWTL-JOCHJYFZSA-N 0 0 548.662 3.257 40 5 KGBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224655556 571596574 /nfs/dbraw/zinc/59/65/74/571596574.db2.gz PKGUFJJIOYMBSN-KRWDZBQOSA-N 0 0 537.038 3.490 40 5 KGBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224655611 571596568 /nfs/dbraw/zinc/59/65/68/571596568.db2.gz PKGUFJJIOYMBSN-QGZVFWFLSA-N 0 0 537.038 3.490 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224658084 571597162 /nfs/dbraw/zinc/59/71/62/571597162.db2.gz JSIMSEFSWCPANW-KRWDZBQOSA-N 0 0 567.064 3.499 40 5 KGBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224660173 571597635 /nfs/dbraw/zinc/59/76/35/571597635.db2.gz PXZZTYULHUBLES-IBGZPJMESA-N 0 0 516.620 3.227 40 5 KGBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224660215 571597742 /nfs/dbraw/zinc/59/77/42/571597742.db2.gz PXZZTYULHUBLES-LJQANCHMSA-N 0 0 516.620 3.227 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000224662757 571598365 /nfs/dbraw/zinc/59/83/65/571598365.db2.gz OPHFUURETFDRAP-IBGZPJMESA-N 0 0 546.646 3.236 40 5 KGBBRN CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224689221 571604853 /nfs/dbraw/zinc/60/48/53/571604853.db2.gz YPXYNSWUHWQLAT-MRXNPFEDSA-N 0 0 555.451 3.065 40 5 KGBBRN CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224689265 571604787 /nfs/dbraw/zinc/60/47/87/571604787.db2.gz YPXYNSWUHWQLAT-INIZCTEOSA-N 0 0 555.451 3.065 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224690859 571605212 /nfs/dbraw/zinc/60/52/12/571605212.db2.gz ZGSFNLDTFGCRFW-SFHVURJKSA-N 0 0 534.610 3.284 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000224691802 571605556 /nfs/dbraw/zinc/60/55/56/571605556.db2.gz UTPUAKMCMWANRY-INIZCTEOSA-N 0 0 585.477 3.074 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000224693952 571605763 /nfs/dbraw/zinc/60/57/63/571605763.db2.gz NPGNVXLCQNQVPO-KRWDZBQOSA-N 0 0 569.478 3.374 40 5 KGBBRN COc1ccc(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224716669 571609358 /nfs/dbraw/zinc/60/93/58/571609358.db2.gz BXULQBRGPQPUBU-UHFFFAOYSA-N 0 0 568.652 3.256 40 5 KGBBRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224719967 571610082 /nfs/dbraw/zinc/61/00/82/571610082.db2.gz NQYGBDMHPPWDRS-MRXNPFEDSA-N 0 0 555.451 3.065 40 5 KGBBRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224720027 571610100 /nfs/dbraw/zinc/61/01/00/571610100.db2.gz NQYGBDMHPPWDRS-INIZCTEOSA-N 0 0 555.451 3.065 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000224722496 571610612 /nfs/dbraw/zinc/61/06/12/571610612.db2.gz TXUKWXDLOYPIPY-INIZCTEOSA-N 0 0 585.477 3.074 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000224724691 571611114 /nfs/dbraw/zinc/61/11/14/571611114.db2.gz HVJXIKUVNAVVRS-KRWDZBQOSA-N 0 0 569.478 3.374 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1nnc(SCc2ccccc2)s1)S(C)(=O)=O ZINC000224733202 571612248 /nfs/dbraw/zinc/61/22/48/571612248.db2.gz HZBLIFDHPMZRKI-UHFFFAOYSA-N 0 0 509.591 3.152 40 5 KGBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224756105 571614292 /nfs/dbraw/zinc/61/42/92/571614292.db2.gz MGQPLMPORBRLPV-QFIPXVFZSA-N 0 0 522.599 3.080 40 5 KGBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224756157 571614300 /nfs/dbraw/zinc/61/43/00/571614300.db2.gz MGQPLMPORBRLPV-JOCHJYFZSA-N 0 0 522.599 3.080 40 5 KGBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224759082 571614540 /nfs/dbraw/zinc/61/45/40/571614540.db2.gz PAWVUXRLGHQLFF-NRFANRHFSA-N 0 0 552.625 3.088 40 5 KGBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224759132 571614533 /nfs/dbraw/zinc/61/45/33/571614533.db2.gz PAWVUXRLGHQLFF-OAQYLSRUSA-N 0 0 552.625 3.088 40 5 KGBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224761939 571614741 /nfs/dbraw/zinc/61/47/41/571614741.db2.gz MRCOZTVSTOCREQ-QFIPXVFZSA-N 0 0 536.626 3.388 40 5 KGBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224761983 571614761 /nfs/dbraw/zinc/61/47/61/571614761.db2.gz MRCOZTVSTOCREQ-JOCHJYFZSA-N 0 0 536.626 3.388 40 5 KGBBRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224799973 571618346 /nfs/dbraw/zinc/61/83/46/571618346.db2.gz IOVPORLNGPHIJF-QGZVFWFLSA-N 0 0 525.027 3.266 40 5 KGBBRN CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224800033 571618350 /nfs/dbraw/zinc/61/83/50/571618350.db2.gz IOVPORLNGPHIJF-KRWDZBQOSA-N 0 0 525.027 3.266 40 5 KGBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224832096 571621432 /nfs/dbraw/zinc/62/14/32/571621432.db2.gz XCLKLJLNRFCAIL-SFHVURJKSA-N 0 0 534.610 3.366 40 5 KGBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224832140 571621447 /nfs/dbraw/zinc/62/14/47/571621447.db2.gz XCLKLJLNRFCAIL-GOSISDBHSA-N 0 0 534.610 3.366 40 5 KGBBRN COc1ccccc1OCCNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 ZINC000224833479 571621555 /nfs/dbraw/zinc/62/15/55/571621555.db2.gz ZVAMGUIEAMSKBG-UHFFFAOYSA-N 0 0 529.571 3.387 40 5 KGBBRN COc1cccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3OC)S(C)(=O)=O)cc2)c1 ZINC000224833698 571621614 /nfs/dbraw/zinc/62/16/14/571621614.db2.gz HEQOKHYXRVZJFA-UHFFFAOYSA-N 0 0 529.571 3.387 40 5 KGBBRN COc1ccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3OC)S(C)(=O)=O)cc2)cc1 ZINC000224833765 571621604 /nfs/dbraw/zinc/62/16/04/571621604.db2.gz LDTUMUUVAUUVTP-UHFFFAOYSA-N 0 0 529.571 3.387 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000224834571 571621706 /nfs/dbraw/zinc/62/17/06/571621706.db2.gz APQLWBKVWWDJAI-SFHVURJKSA-N 0 0 564.636 3.375 40 5 KGBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224835076 571621747 /nfs/dbraw/zinc/62/17/47/571621747.db2.gz WVJAUHZYZDVIST-QGZVFWFLSA-N 0 0 525.027 3.266 40 5 KGBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224835118 571621752 /nfs/dbraw/zinc/62/17/52/571621752.db2.gz WVJAUHZYZDVIST-KRWDZBQOSA-N 0 0 525.027 3.266 40 5 KGBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224898805 571628060 /nfs/dbraw/zinc/62/80/60/571628060.db2.gz BJHCLUZPBLZVGR-QHCPKHFHSA-N 0 0 548.662 3.257 40 5 KGBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224898854 571628050 /nfs/dbraw/zinc/62/80/50/571628050.db2.gz BJHCLUZPBLZVGR-HSZRJFAPSA-N 0 0 548.662 3.257 40 5 KGBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224930207 571631085 /nfs/dbraw/zinc/63/10/85/571631085.db2.gz GQDGTADWXCACNI-QHCPKHFHSA-N 0 0 548.662 3.257 40 5 KGBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224930261 571631090 /nfs/dbraw/zinc/63/10/90/571631090.db2.gz GQDGTADWXCACNI-HSZRJFAPSA-N 0 0 548.662 3.257 40 5 KGBBRN COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224941822 571632273 /nfs/dbraw/zinc/63/22/73/571632273.db2.gz ZCSBMVBZJWYICI-IBGZPJMESA-N 0 0 546.646 3.236 40 5 KGBBRN COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224943625 571632482 /nfs/dbraw/zinc/63/24/82/571632482.db2.gz ZKKUOMMBGHWHAS-IBGZPJMESA-N 0 0 576.672 3.244 40 5 KGBBRN CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224961684 571634181 /nfs/dbraw/zinc/63/41/81/571634181.db2.gz QYBKUQNVPZRAJT-QHCPKHFHSA-N 0 0 532.663 3.291 40 5 KGBBRN CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224961731 571634190 /nfs/dbraw/zinc/63/41/90/571634190.db2.gz QYBKUQNVPZRAJT-HSZRJFAPSA-N 0 0 532.663 3.291 40 5 KGBBRN COc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224965838 571634650 /nfs/dbraw/zinc/63/46/50/571634650.db2.gz WUSAMCYNHCNHDK-IBGZPJMESA-N 0 0 546.646 3.236 40 5 KGBBRN COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224967587 571634803 /nfs/dbraw/zinc/63/48/03/571634803.db2.gz LACMIEMJWPFSOY-IBGZPJMESA-N 0 0 576.672 3.244 40 5 KGBBRN C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224990202 571636964 /nfs/dbraw/zinc/63/69/64/571636964.db2.gz UQZMSYZBTWCSGG-FQEVSTJZSA-N 0 0 530.647 3.270 40 5 KGBBRN C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224990244 571636967 /nfs/dbraw/zinc/63/69/67/571636967.db2.gz UQZMSYZBTWCSGG-HXUWFJFHSA-N 0 0 530.647 3.270 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000224992299 571637205 /nfs/dbraw/zinc/63/72/05/571637205.db2.gz ZVZSNJTXAMWJJN-FQEVSTJZSA-N 0 0 560.673 3.278 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224995407 571637515 /nfs/dbraw/zinc/63/75/15/571637515.db2.gz IESSTNBJIWNXIA-RTBURBONSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224995445 571637520 /nfs/dbraw/zinc/63/75/20/571637520.db2.gz IESSTNBJIWNXIA-RBUKOAKNSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225030155 571640525 /nfs/dbraw/zinc/64/05/25/571640525.db2.gz JTMJODZOXPFPEA-RTBURBONSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225030198 571640538 /nfs/dbraw/zinc/64/05/38/571640538.db2.gz JTMJODZOXPFPEA-RBUKOAKNSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225033547 571640777 /nfs/dbraw/zinc/64/07/77/571640777.db2.gz PSMMDQCFNLEHKR-RTBURBONSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225033585 571640745 /nfs/dbraw/zinc/64/07/45/571640745.db2.gz PSMMDQCFNLEHKR-RBUKOAKNSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225036018 571640987 /nfs/dbraw/zinc/64/09/87/571640987.db2.gz JYNTXCIAXPDGNL-WOJBJXKFSA-N 0 0 518.636 3.310 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225036065 571640948 /nfs/dbraw/zinc/64/09/48/571640948.db2.gz JYNTXCIAXPDGNL-VQTJNVASSA-N 0 0 518.636 3.310 40 5 KGBBRN CC[C@@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225057517 571642799 /nfs/dbraw/zinc/64/27/99/571642799.db2.gz RZWLZQXOLMDEIH-INIZCTEOSA-N 0 0 521.577 3.314 40 5 KGBBRN CC[C@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225057560 571642797 /nfs/dbraw/zinc/64/27/97/571642797.db2.gz RZWLZQXOLMDEIH-MRXNPFEDSA-N 0 0 521.577 3.314 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225069944 571643941 /nfs/dbraw/zinc/64/39/41/571643941.db2.gz GSVBMJVYZDLWOA-RTBURBONSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225069970 571643948 /nfs/dbraw/zinc/64/39/48/571643948.db2.gz GSVBMJVYZDLWOA-RBUKOAKNSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225072775 571644282 /nfs/dbraw/zinc/64/42/82/571644282.db2.gz XTLPDVJKHZVRND-RTBURBONSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225072812 571644262 /nfs/dbraw/zinc/64/42/62/571644262.db2.gz XTLPDVJKHZVRND-RBUKOAKNSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225075799 571644591 /nfs/dbraw/zinc/64/45/91/571644591.db2.gz NVKDSCPKBNSHOM-WOJBJXKFSA-N 0 0 518.636 3.310 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225075842 571644566 /nfs/dbraw/zinc/64/45/66/571644566.db2.gz NVKDSCPKBNSHOM-VQTJNVASSA-N 0 0 518.636 3.310 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225091698 571646428 /nfs/dbraw/zinc/64/64/28/571646428.db2.gz RJVVDKFVNABZCH-OAQYLSRUSA-N 0 0 504.609 3.003 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225091731 571646498 /nfs/dbraw/zinc/64/64/98/571646498.db2.gz RJVVDKFVNABZCH-NRFANRHFSA-N 0 0 504.609 3.003 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCC1(c2ccccc2)CCOCC1)S(C)(=O)=O ZINC000225109021 571648152 /nfs/dbraw/zinc/64/81/52/571648152.db2.gz KXHJLDZOIHGETD-UHFFFAOYSA-N 0 0 505.593 3.014 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225109920 571648296 /nfs/dbraw/zinc/64/82/96/571648296.db2.gz PIHBQLOQWOOVHW-RTBURBONSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225109963 571648253 /nfs/dbraw/zinc/64/82/53/571648253.db2.gz PIHBQLOQWOOVHW-RBUKOAKNSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225112670 571648646 /nfs/dbraw/zinc/64/86/46/571648646.db2.gz PHGOOJUESLWWLN-RTBURBONSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225112711 571648601 /nfs/dbraw/zinc/64/86/01/571648601.db2.gz PHGOOJUESLWWLN-RBUKOAKNSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225115096 571648889 /nfs/dbraw/zinc/64/88/89/571648889.db2.gz FGHURTISUVWJKG-WOJBJXKFSA-N 0 0 518.636 3.310 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225115131 571648863 /nfs/dbraw/zinc/64/88/63/571648863.db2.gz FGHURTISUVWJKG-VQTJNVASSA-N 0 0 518.636 3.310 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225117656 571649113 /nfs/dbraw/zinc/64/91/13/571649113.db2.gz MBWVTTDERFYIKJ-JOCHJYFZSA-N 0 0 504.609 3.003 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225117698 571649138 /nfs/dbraw/zinc/64/91/38/571649138.db2.gz MBWVTTDERFYIKJ-QFIPXVFZSA-N 0 0 504.609 3.003 40 5 KGBBRN CC[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2CC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225117842 571649107 /nfs/dbraw/zinc/64/91/07/571649107.db2.gz DVCUGZDIUGUUEP-HNNXBMFYSA-N 0 0 508.578 3.183 40 5 KGBBRN CC[C@H](C(=O)Nc1ccc2c(c1)sc(=O)n2CC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225117881 571649203 /nfs/dbraw/zinc/64/92/03/571649203.db2.gz DVCUGZDIUGUUEP-OAHLLOKOSA-N 0 0 508.578 3.183 40 5 KGBBRN CCn1c(=O)sc2cc(NC(=O)CCCN(c3cc([N+](=O)[O-])ccc3OC)S(C)(=O)=O)ccc21 ZINC000225118807 571649222 /nfs/dbraw/zinc/64/92/22/571649222.db2.gz YBUMMVCCYQAYCT-UHFFFAOYSA-N 0 0 508.578 3.185 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225120329 571649359 /nfs/dbraw/zinc/64/93/59/571649359.db2.gz MFRUBSHJQGPIDB-OAQYLSRUSA-N 0 0 534.635 3.011 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225120368 571649431 /nfs/dbraw/zinc/64/94/31/571649431.db2.gz MFRUBSHJQGPIDB-NRFANRHFSA-N 0 0 534.635 3.011 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225122536 571649572 /nfs/dbraw/zinc/64/95/72/571649572.db2.gz BBXJGEZJQMGPAY-JOCHJYFZSA-N 0 0 518.636 3.311 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225122575 571649582 /nfs/dbraw/zinc/64/95/82/571649582.db2.gz BBXJGEZJQMGPAY-QFIPXVFZSA-N 0 0 518.636 3.311 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225147748 571652170 /nfs/dbraw/zinc/65/21/70/571652170.db2.gz HYMJQSHPDHZVOU-JOCHJYFZSA-N 0 0 504.609 3.003 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225147791 571652148 /nfs/dbraw/zinc/65/21/48/571652148.db2.gz HYMJQSHPDHZVOU-QFIPXVFZSA-N 0 0 504.609 3.003 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225149781 571652383 /nfs/dbraw/zinc/65/23/83/571652383.db2.gz PXFPJZDTGDAAIV-IAGOWNOFSA-N 0 0 525.027 3.346 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225149823 571652382 /nfs/dbraw/zinc/65/23/82/571652382.db2.gz PXFPJZDTGDAAIV-DLBZAZTESA-N 0 0 525.027 3.346 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225150385 571652422 /nfs/dbraw/zinc/65/24/22/571652422.db2.gz GRJOBYMMTXVSOC-OAQYLSRUSA-N 0 0 534.635 3.011 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225150422 571652447 /nfs/dbraw/zinc/65/24/47/571652447.db2.gz GRJOBYMMTXVSOC-NRFANRHFSA-N 0 0 534.635 3.011 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225152283 571652602 /nfs/dbraw/zinc/65/26/02/571652602.db2.gz HTLIMQNRPHAIDB-QGZVFWFLSA-N 0 0 525.027 3.348 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225152326 571652603 /nfs/dbraw/zinc/65/26/03/571652603.db2.gz HTLIMQNRPHAIDB-KRWDZBQOSA-N 0 0 525.027 3.348 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225152519 571652635 /nfs/dbraw/zinc/65/26/35/571652635.db2.gz LPBHAQISAZLXRV-IAGOWNOFSA-N 0 0 555.053 3.355 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225152561 571652614 /nfs/dbraw/zinc/65/26/14/571652614.db2.gz LPBHAQISAZLXRV-DLBZAZTESA-N 0 0 555.053 3.355 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225152669 571652637 /nfs/dbraw/zinc/65/26/37/571652637.db2.gz LBLTVNUKCGVYKT-JOCHJYFZSA-N 0 0 518.636 3.311 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225152699 571652623 /nfs/dbraw/zinc/65/26/23/571652623.db2.gz LBLTVNUKCGVYKT-QFIPXVFZSA-N 0 0 518.636 3.311 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225154953 571652835 /nfs/dbraw/zinc/65/28/35/571652835.db2.gz BUKCDIBYOOUXHV-QGZVFWFLSA-N 0 0 555.053 3.356 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225154990 571652805 /nfs/dbraw/zinc/65/28/05/571652805.db2.gz BUKCDIBYOOUXHV-KRWDZBQOSA-N 0 0 555.053 3.356 40 5 KGBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225162255 571653508 /nfs/dbraw/zinc/65/35/08/571653508.db2.gz DCUPRSXVVFJJQY-SFHVURJKSA-N 0 0 534.610 3.366 40 5 KGBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225162297 571653492 /nfs/dbraw/zinc/65/34/92/571653492.db2.gz DCUPRSXVVFJJQY-GOSISDBHSA-N 0 0 534.610 3.366 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000225164383 571653722 /nfs/dbraw/zinc/65/37/22/571653722.db2.gz FDQDAPJFVOJNIQ-SFHVURJKSA-N 0 0 564.636 3.375 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225178406 571654962 /nfs/dbraw/zinc/65/49/62/571654962.db2.gz BCROWCSIEIRLFX-JOCHJYFZSA-N 0 0 504.609 3.003 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225178444 571654994 /nfs/dbraw/zinc/65/49/94/571654994.db2.gz BCROWCSIEIRLFX-QFIPXVFZSA-N 0 0 504.609 3.003 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225181098 571655272 /nfs/dbraw/zinc/65/52/72/571655272.db2.gz OYRCRSVCJIMBCM-OAQYLSRUSA-N 0 0 534.635 3.011 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225181134 571655270 /nfs/dbraw/zinc/65/52/70/571655270.db2.gz OYRCRSVCJIMBCM-NRFANRHFSA-N 0 0 534.635 3.011 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225183327 571655525 /nfs/dbraw/zinc/65/55/25/571655525.db2.gz OVJXHTZOLUGDJO-JOCHJYFZSA-N 0 0 518.636 3.311 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225183365 571655522 /nfs/dbraw/zinc/65/55/22/571655522.db2.gz OVJXHTZOLUGDJO-QFIPXVFZSA-N 0 0 518.636 3.311 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225187441 571655962 /nfs/dbraw/zinc/65/59/62/571655962.db2.gz CJUZAKWJCQZDPX-IAGOWNOFSA-N 0 0 525.027 3.346 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225187477 571655984 /nfs/dbraw/zinc/65/59/84/571655984.db2.gz CJUZAKWJCQZDPX-DLBZAZTESA-N 0 0 525.027 3.346 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225188823 571656094 /nfs/dbraw/zinc/65/60/94/571656094.db2.gz OVXCBDHJNFSJQK-GOSISDBHSA-N 0 0 522.599 3.142 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225188862 571656084 /nfs/dbraw/zinc/65/60/84/571656084.db2.gz OVXCBDHJNFSJQK-SFHVURJKSA-N 0 0 522.599 3.142 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225190263 571656256 /nfs/dbraw/zinc/65/62/56/571656256.db2.gz SASPNEGZKDLSOX-IAGOWNOFSA-N 0 0 555.053 3.355 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225190298 571656251 /nfs/dbraw/zinc/65/62/51/571656251.db2.gz SASPNEGZKDLSOX-DLBZAZTESA-N 0 0 555.053 3.355 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225196124 571656795 /nfs/dbraw/zinc/65/67/95/571656795.db2.gz ZXNJJYCJIPUTLX-HXUWFJFHSA-N 0 0 554.625 3.270 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225196168 571656817 /nfs/dbraw/zinc/65/68/17/571656817.db2.gz ZXNJJYCJIPUTLX-FQEVSTJZSA-N 0 0 554.625 3.270 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225209186 571658151 /nfs/dbraw/zinc/65/81/51/571658151.db2.gz QOZYQUKLCVKHKM-OAQYLSRUSA-N 0 0 525.027 3.348 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225209227 571658175 /nfs/dbraw/zinc/65/81/75/571658175.db2.gz QOZYQUKLCVKHKM-NRFANRHFSA-N 0 0 525.027 3.348 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225211790 571658339 /nfs/dbraw/zinc/65/83/39/571658339.db2.gz UTQMZYMKZFLZBD-HXUWFJFHSA-N 0 0 555.053 3.356 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225211833 571658374 /nfs/dbraw/zinc/65/83/74/571658374.db2.gz UTQMZYMKZFLZBD-FQEVSTJZSA-N 0 0 555.053 3.356 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225215731 571658736 /nfs/dbraw/zinc/65/87/36/571658736.db2.gz ODJYOZITKBXDNY-QGZVFWFLSA-N 0 0 569.478 3.457 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225215766 571658774 /nfs/dbraw/zinc/65/87/74/571658774.db2.gz ODJYOZITKBXDNY-KRWDZBQOSA-N 0 0 569.478 3.457 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225218499 571659072 /nfs/dbraw/zinc/65/90/72/571659072.db2.gz RIDQYXZEKHPWJI-QGZVFWFLSA-N 0 0 599.504 3.466 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225218538 571659065 /nfs/dbraw/zinc/65/90/65/571659065.db2.gz RIDQYXZEKHPWJI-KRWDZBQOSA-N 0 0 599.504 3.466 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225218856 571659137 /nfs/dbraw/zinc/65/91/37/571659137.db2.gz OLBSKOHIUKQBPX-HXUWFJFHSA-N 0 0 524.599 3.262 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225218893 571659118 /nfs/dbraw/zinc/65/91/18/571659118.db2.gz OLBSKOHIUKQBPX-FQEVSTJZSA-N 0 0 524.599 3.262 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225218955 571659140 /nfs/dbraw/zinc/65/91/40/571659140.db2.gz BKSKUEMWYVBCNI-HXUWFJFHSA-N 0 0 524.599 3.262 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225218990 571659099 /nfs/dbraw/zinc/65/90/99/571659099.db2.gz BKSKUEMWYVBCNI-FQEVSTJZSA-N 0 0 524.599 3.262 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225231055 571660496 /nfs/dbraw/zinc/66/04/96/571660496.db2.gz SAKOFDPWJMYZAS-QZTJIDSGSA-N 0 0 522.599 3.140 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225231097 571660567 /nfs/dbraw/zinc/66/05/67/571660567.db2.gz SAKOFDPWJMYZAS-ZWKOTPCHSA-N 0 0 522.599 3.140 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225238895 571661338 /nfs/dbraw/zinc/66/13/38/571661338.db2.gz MAGRATXKTPPNGP-OAQYLSRUSA-N 0 0 525.027 3.348 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225238936 571661344 /nfs/dbraw/zinc/66/13/44/571661344.db2.gz MAGRATXKTPPNGP-NRFANRHFSA-N 0 0 525.027 3.348 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225241517 571661666 /nfs/dbraw/zinc/66/16/66/571661666.db2.gz AUOIXGJXJWLMNQ-HXUWFJFHSA-N 0 0 555.053 3.356 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225241558 571661678 /nfs/dbraw/zinc/66/16/78/571661678.db2.gz AUOIXGJXJWLMNQ-FQEVSTJZSA-N 0 0 555.053 3.356 40 5 KGBBRN COc1ccc(N(CC(=O)NC[C@@H]2COc3ccccc3O2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225245741 571662106 /nfs/dbraw/zinc/66/21/06/571662106.db2.gz XLIHDMVCGNKSIA-HXUWFJFHSA-N 0 0 527.555 3.063 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225246958 571662195 /nfs/dbraw/zinc/66/21/95/571662195.db2.gz NADMNBKQDYMNIQ-QGZVFWFLSA-N 0 0 569.478 3.457 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225246995 571662200 /nfs/dbraw/zinc/66/22/00/571662200.db2.gz NADMNBKQDYMNIQ-KRWDZBQOSA-N 0 0 569.478 3.457 40 5 KGBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225249508 571662478 /nfs/dbraw/zinc/66/24/78/571662478.db2.gz IOEFBQNBCQGGDK-QGZVFWFLSA-N 0 0 599.504 3.466 40 5 KGBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225249543 571662460 /nfs/dbraw/zinc/66/24/60/571662460.db2.gz IOEFBQNBCQGGDK-KRWDZBQOSA-N 0 0 599.504 3.466 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225271648 571665052 /nfs/dbraw/zinc/66/50/52/571665052.db2.gz DANSOPVRPFMPRH-OAQYLSRUSA-N 0 0 522.599 3.142 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225271686 571665149 /nfs/dbraw/zinc/66/51/49/571665149.db2.gz DANSOPVRPFMPRH-NRFANRHFSA-N 0 0 522.599 3.142 40 5 KGBBRN COc1ccc(N(CC(=O)Nc2nnc(SC)s2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225274433 571665357 /nfs/dbraw/zinc/66/53/57/571665357.db2.gz GYJJDUCZVYPREH-UHFFFAOYSA-N 0 0 509.591 3.319 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225366993 571730448 /nfs/dbraw/zinc/73/04/48/571730448.db2.gz SLNJFNPBMVGONI-RTBURBONSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225367027 571730529 /nfs/dbraw/zinc/73/05/29/571730529.db2.gz SLNJFNPBMVGONI-RBUKOAKNSA-N 0 0 534.635 3.010 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225379811 571747188 /nfs/dbraw/zinc/74/71/88/571747188.db2.gz YWHNBAHLILDSEQ-JOCHJYFZSA-N 0 0 534.635 3.011 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225379839 571747160 /nfs/dbraw/zinc/74/71/60/571747160.db2.gz YWHNBAHLILDSEQ-QFIPXVFZSA-N 0 0 534.635 3.011 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225402337 571771749 /nfs/dbraw/zinc/77/17/49/571771749.db2.gz VPMYTLJPNNLYLW-RTBURBONSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225402374 571771951 /nfs/dbraw/zinc/77/19/51/571771951.db2.gz VPMYTLJPNNLYLW-RBUKOAKNSA-N 0 0 534.635 3.010 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225411159 571779238 /nfs/dbraw/zinc/77/92/38/571779238.db2.gz DIGXLPDJBLYGRF-JOCHJYFZSA-N 0 0 534.635 3.011 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225411201 571779212 /nfs/dbraw/zinc/77/92/12/571779212.db2.gz DIGXLPDJBLYGRF-QFIPXVFZSA-N 0 0 534.635 3.011 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225416953 571784189 /nfs/dbraw/zinc/78/41/89/571784189.db2.gz ISJBADGDKPWDNI-GOSISDBHSA-N 0 0 528.562 3.093 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225416998 571784242 /nfs/dbraw/zinc/78/42/42/571784242.db2.gz ISJBADGDKPWDNI-SFHVURJKSA-N 0 0 528.562 3.093 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225417061 571784145 /nfs/dbraw/zinc/78/41/45/571784145.db2.gz WBNNGPZURGJPPI-GOSISDBHSA-N 0 0 528.562 3.093 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225417098 571784133 /nfs/dbraw/zinc/78/41/33/571784133.db2.gz WBNNGPZURGJPPI-SFHVURJKSA-N 0 0 528.562 3.093 40 5 KGBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225425098 571791577 /nfs/dbraw/zinc/79/15/77/571791577.db2.gz KMRAGOPZXGYFIT-LJQANCHMSA-N 0 0 572.615 3.410 40 5 KGBBRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225425139 571791426 /nfs/dbraw/zinc/79/14/26/571791426.db2.gz KMRAGOPZXGYFIT-IBGZPJMESA-N 0 0 572.615 3.410 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225442598 571813200 /nfs/dbraw/zinc/81/32/00/571813200.db2.gz VOSYWGQFJBOBFH-WOJBJXKFSA-N 0 0 518.636 3.044 40 5 KGBBRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225442638 571813359 /nfs/dbraw/zinc/81/33/59/571813359.db2.gz VOSYWGQFJBOBFH-VQTJNVASSA-N 0 0 518.636 3.044 40 5 KGBBRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225442978 571813923 /nfs/dbraw/zinc/81/39/23/571813923.db2.gz YQBFSQSMTRZIID-JOCHJYFZSA-N 0 0 518.636 3.045 40 5 KGBBRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225443016 571813841 /nfs/dbraw/zinc/81/38/41/571813841.db2.gz YQBFSQSMTRZIID-QFIPXVFZSA-N 0 0 518.636 3.045 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225472973 571843194 /nfs/dbraw/zinc/84/31/94/571843194.db2.gz ITJXUNASHDRJAB-XMSQKQJNSA-N 0 0 504.609 3.083 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225473023 571843165 /nfs/dbraw/zinc/84/31/65/571843165.db2.gz ITJXUNASHDRJAB-PGRDOPGGSA-N 0 0 504.609 3.083 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225475434 571845882 /nfs/dbraw/zinc/84/58/82/571845882.db2.gz OUJSCQAYRKZVAM-WIYYLYMNSA-N 0 0 534.635 3.092 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225475473 571845710 /nfs/dbraw/zinc/84/57/10/571845710.db2.gz OUJSCQAYRKZVAM-GHTZIAJQSA-N 0 0 534.635 3.092 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225477606 571847763 /nfs/dbraw/zinc/84/77/63/571847763.db2.gz HXWGIXHRFMOYQI-DENIHFKCSA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225477635 571848222 /nfs/dbraw/zinc/84/82/22/571848222.db2.gz HXWGIXHRFMOYQI-SIKLNZKXSA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225506908 571877563 /nfs/dbraw/zinc/87/75/63/571877563.db2.gz MNDWWPCUACGCSQ-AUSIDOKSSA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225506941 571877588 /nfs/dbraw/zinc/87/75/88/571877588.db2.gz MNDWWPCUACGCSQ-WMZHIEFXSA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225509385 571880507 /nfs/dbraw/zinc/88/05/07/571880507.db2.gz XNWKFSJVQKWMJD-DENIHFKCSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225509422 571880442 /nfs/dbraw/zinc/88/04/42/571880442.db2.gz XNWKFSJVQKWMJD-SIKLNZKXSA-N 0 0 548.662 3.400 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225513362 571884352 /nfs/dbraw/zinc/88/43/52/571884352.db2.gz IMXNKIYNAYOUJK-RUZDIDTESA-N 0 0 538.626 3.055 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225513400 571884394 /nfs/dbraw/zinc/88/43/94/571884394.db2.gz IMXNKIYNAYOUJK-VWLOTQADSA-N 0 0 538.626 3.055 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225535693 193969137 /nfs/dbraw/zinc/96/91/37/193969137.db2.gz CYAYJVVCTDHDJH-RUZDIDTESA-N 0 0 538.626 3.055 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225535729 571901116 /nfs/dbraw/zinc/90/11/16/571901116.db2.gz CYAYJVVCTDHDJH-VWLOTQADSA-N 0 0 538.626 3.055 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225537756 571903189 /nfs/dbraw/zinc/90/31/89/571903189.db2.gz KNJVLVRLCAEJRC-RUZDIDTESA-N 0 0 568.652 3.064 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225537786 571903328 /nfs/dbraw/zinc/90/33/28/571903328.db2.gz KNJVLVRLCAEJRC-VWLOTQADSA-N 0 0 568.652 3.064 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225539441 571904991 /nfs/dbraw/zinc/90/49/91/571904991.db2.gz CMUNRMIFBPUUHJ-AREMUKBSSA-N 0 0 552.653 3.364 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225539472 571904868 /nfs/dbraw/zinc/90/48/68/571904868.db2.gz CMUNRMIFBPUUHJ-SANMLTNESA-N 0 0 552.653 3.364 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225539671 571904981 /nfs/dbraw/zinc/90/49/81/571904981.db2.gz GTDOEOSTGFNQSN-AUSIDOKSSA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225539701 193972527 /nfs/dbraw/zinc/97/25/27/193972527.db2.gz GTDOEOSTGFNQSN-WMZHIEFXSA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225541772 571906553 /nfs/dbraw/zinc/90/65/53/571906553.db2.gz DXRUKONPUAMJKQ-DENIHFKCSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225541792 571906513 /nfs/dbraw/zinc/90/65/13/571906513.db2.gz DXRUKONPUAMJKQ-SIKLNZKXSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225546573 571910527 /nfs/dbraw/zinc/91/05/27/571910527.db2.gz RHAVFLJVFOHYAL-FQEVSTJZSA-N 0 0 505.593 3.013 40 5 KGBBRN CC[C@H](C(=O)NCC1(c2ccccc2)CCOCC1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225546603 571910602 /nfs/dbraw/zinc/91/06/02/571910602.db2.gz RHAVFLJVFOHYAL-HXUWFJFHSA-N 0 0 505.593 3.013 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225547205 571910545 /nfs/dbraw/zinc/91/05/45/571910545.db2.gz MLDRZFPNVQANAW-KRWDZBQOSA-N 0 0 525.027 3.265 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225560414 571922442 /nfs/dbraw/zinc/92/24/42/571922442.db2.gz OZWBSPNLLMLTEB-RUZDIDTESA-N 0 0 538.626 3.055 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225560443 571922465 /nfs/dbraw/zinc/92/24/65/571922465.db2.gz OZWBSPNLLMLTEB-VWLOTQADSA-N 0 0 538.626 3.055 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225562366 571924496 /nfs/dbraw/zinc/92/44/96/571924496.db2.gz RMZZJPYUUSWRQK-RUZDIDTESA-N 0 0 568.652 3.064 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225562399 571924415 /nfs/dbraw/zinc/92/44/15/571924415.db2.gz RMZZJPYUUSWRQK-VWLOTQADSA-N 0 0 568.652 3.064 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225564060 571925924 /nfs/dbraw/zinc/92/59/24/571925924.db2.gz PXMOZXCYNQNPIH-AREMUKBSSA-N 0 0 552.653 3.364 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225564089 571926410 /nfs/dbraw/zinc/92/64/10/571926410.db2.gz PXMOZXCYNQNPIH-SANMLTNESA-N 0 0 552.653 3.364 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000225567341 571929088 /nfs/dbraw/zinc/92/90/88/571929088.db2.gz AXGXENDFFSDFAB-KRWDZBQOSA-N 0 0 525.027 3.265 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225569200 571931104 /nfs/dbraw/zinc/93/11/04/571931104.db2.gz JHLBPQQVRYRVQT-AUSIDOKSSA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225569220 571930960 /nfs/dbraw/zinc/93/09/60/571930960.db2.gz JHLBPQQVRYRVQT-WMZHIEFXSA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225571724 571932973 /nfs/dbraw/zinc/93/29/73/571932973.db2.gz VNSNSUIFKKETOJ-DENIHFKCSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225571759 571932978 /nfs/dbraw/zinc/93/29/78/571932978.db2.gz VNSNSUIFKKETOJ-SIKLNZKXSA-N 0 0 548.662 3.400 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225584364 571943004 /nfs/dbraw/zinc/94/30/04/571943004.db2.gz LOPMMNOQDCMXOW-RUZDIDTESA-N 0 0 538.626 3.055 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225584383 571943062 /nfs/dbraw/zinc/94/30/62/571943062.db2.gz LOPMMNOQDCMXOW-VWLOTQADSA-N 0 0 538.626 3.055 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225586120 571944374 /nfs/dbraw/zinc/94/43/74/571944374.db2.gz QPLUJINLJFAYRU-RUZDIDTESA-N 0 0 568.652 3.064 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225586150 571944403 /nfs/dbraw/zinc/94/44/03/571944403.db2.gz QPLUJINLJFAYRU-VWLOTQADSA-N 0 0 568.652 3.064 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225587785 571945377 /nfs/dbraw/zinc/94/53/77/571945377.db2.gz GPSGOMLGMKBPHX-AREMUKBSSA-N 0 0 552.653 3.364 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225587819 571945458 /nfs/dbraw/zinc/94/54/58/571945458.db2.gz GPSGOMLGMKBPHX-SANMLTNESA-N 0 0 552.653 3.364 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225607479 571959900 /nfs/dbraw/zinc/95/99/00/571959900.db2.gz RVJQPJQZDUAPDE-XMMPIXPASA-N 0 0 559.044 3.400 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225607510 571959818 /nfs/dbraw/zinc/95/98/18/571959818.db2.gz RVJQPJQZDUAPDE-DEOSSOPVSA-N 0 0 559.044 3.400 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225609377 571961305 /nfs/dbraw/zinc/96/13/05/571961305.db2.gz VNNKJKCGOVSVPX-XMMPIXPASA-N 0 0 589.070 3.409 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225609412 571961317 /nfs/dbraw/zinc/96/13/17/571961317.db2.gz VNNKJKCGOVSVPX-DEOSSOPVSA-N 0 0 589.070 3.409 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225630063 571981966 /nfs/dbraw/zinc/98/19/66/571981966.db2.gz MVIRFFKYCDNYRG-XMMPIXPASA-N 0 0 559.044 3.400 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225630093 571982247 /nfs/dbraw/zinc/98/22/47/571982247.db2.gz MVIRFFKYCDNYRG-DEOSSOPVSA-N 0 0 559.044 3.400 40 5 KGBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225632132 571984239 /nfs/dbraw/zinc/98/42/39/571984239.db2.gz KOKWYRMRJGAJRY-XMMPIXPASA-N 0 0 589.070 3.409 40 5 KGBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225632163 571984142 /nfs/dbraw/zinc/98/41/42/571984142.db2.gz KOKWYRMRJGAJRY-DEOSSOPVSA-N 0 0 589.070 3.409 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225653237 572000843 /nfs/dbraw/zinc/00/08/43/572000843.db2.gz NJZCVHHZPOPGKN-VGOFRKELSA-N 0 0 522.599 3.222 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225653266 572000784 /nfs/dbraw/zinc/00/07/84/572000784.db2.gz NJZCVHHZPOPGKN-HTAPYJJXSA-N 0 0 522.599 3.222 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225654919 572002422 /nfs/dbraw/zinc/00/24/22/572002422.db2.gz QTUXAEJGHMMCFR-DYESRHJHSA-N 0 0 552.625 3.231 40 5 KGBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225654946 572002440 /nfs/dbraw/zinc/00/24/40/572002440.db2.gz QTUXAEJGHMMCFR-LAUBAEHRSA-N 0 0 552.625 3.231 40 5 KGBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225666211 572009418 /nfs/dbraw/zinc/00/94/18/572009418.db2.gz VGZVLXAYWLEEQM-QGZVFWFLSA-N 0 0 525.027 3.204 40 5 KGBBRN CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225666237 572009481 /nfs/dbraw/zinc/00/94/81/572009481.db2.gz VGZVLXAYWLEEQM-KRWDZBQOSA-N 0 0 525.027 3.204 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000225667798 572009854 /nfs/dbraw/zinc/00/98/54/572009854.db2.gz UYQIPRYKTRLFCE-KRWDZBQOSA-N 0 0 555.053 3.212 40 5 KGBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225701564 572032399 /nfs/dbraw/zinc/03/23/99/572032399.db2.gz JGBGCAHZBRHSSU-QGZVFWFLSA-N 0 0 569.478 3.313 40 5 KGBBRN CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225701599 572032491 /nfs/dbraw/zinc/03/24/91/572032491.db2.gz JGBGCAHZBRHSSU-KRWDZBQOSA-N 0 0 569.478 3.313 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000225702939 572033545 /nfs/dbraw/zinc/03/35/45/572033545.db2.gz VZUKCAPJHMXHRC-KRWDZBQOSA-N 0 0 599.504 3.321 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225712263 572041789 /nfs/dbraw/zinc/04/17/89/572041789.db2.gz PAIHKFWRSBHWTF-NRFANRHFSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225712292 572041762 /nfs/dbraw/zinc/04/17/62/572041762.db2.gz PAIHKFWRSBHWTF-OAQYLSRUSA-N 0 0 504.609 3.001 40 5 KGBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225718568 572046253 /nfs/dbraw/zinc/04/62/53/572046253.db2.gz JFXPSZAUBSHZEF-QGZVFWFLSA-N 0 0 569.478 3.313 40 5 KGBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225718590 572046101 /nfs/dbraw/zinc/04/61/01/572046101.db2.gz JFXPSZAUBSHZEF-KRWDZBQOSA-N 0 0 569.478 3.313 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000225720040 572046444 /nfs/dbraw/zinc/04/64/44/572046444.db2.gz PMHWTTRSPAGOSI-KRWDZBQOSA-N 0 0 599.504 3.321 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225730129 572051481 /nfs/dbraw/zinc/05/14/81/572051481.db2.gz BZRYJBGBWMKCNM-QFIPXVFZSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225730150 572051587 /nfs/dbraw/zinc/05/15/87/572051587.db2.gz BZRYJBGBWMKCNM-JOCHJYFZSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225731978 572052656 /nfs/dbraw/zinc/05/26/56/572052656.db2.gz WAFRHSFWTUPAHG-NRFANRHFSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225732008 572052638 /nfs/dbraw/zinc/05/26/38/572052638.db2.gz WAFRHSFWTUPAHG-OAQYLSRUSA-N 0 0 534.635 3.010 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1nnc(SCC(C)C)s1)S(C)(=O)=O ZINC000225775489 572066475 /nfs/dbraw/zinc/06/64/75/572066475.db2.gz QHKXBXPGNQVDFL-UHFFFAOYSA-N 0 0 503.628 3.388 40 5 KGBBRN CCOC(=O)C1=C(C)C2(Br)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000245231648 572209188 /nfs/dbraw/zinc/20/91/88/572209188.db2.gz HKTOWLWRBVMDOR-ROVDASJOSA-N 0 0 667.425 3.461 40 5 KGBBRN C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000257345202 572320353 /nfs/dbraw/zinc/32/03/53/572320353.db2.gz UMCMPZBLKLEWAF-QHPIBNJCSA-O 0 0 615.898 3.225 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260704516 572322824 /nfs/dbraw/zinc/32/28/24/572322824.db2.gz AXGXENDFFSDFAB-QGZVFWFLSA-N 0 0 525.027 3.265 40 5 KGBBRN COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000260738327 572324617 /nfs/dbraw/zinc/32/46/17/572324617.db2.gz AHTINBWPJJXANR-GOSISDBHSA-N 0 0 534.635 3.010 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260738356 572324611 /nfs/dbraw/zinc/32/46/11/572324611.db2.gz ALCBBQKWWGEYRO-LJQANCHMSA-N 0 0 546.646 3.154 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260740447 572324714 /nfs/dbraw/zinc/32/47/14/572324714.db2.gz MLDRZFPNVQANAW-QGZVFWFLSA-N 0 0 525.027 3.265 40 5 KGBBRN COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000260745299 572325067 /nfs/dbraw/zinc/32/50/67/572325067.db2.gz BNGYHJTZRYAQHU-GOSISDBHSA-N 0 0 534.635 3.010 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000260747687 572325328 /nfs/dbraw/zinc/32/53/28/572325328.db2.gz APQLWBKVWWDJAI-GOSISDBHSA-N 0 0 564.636 3.375 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260747744 572325333 /nfs/dbraw/zinc/32/53/33/572325333.db2.gz ASGNAIYIYOKXHU-HXUWFJFHSA-N 0 0 530.647 3.188 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260749000 572325477 /nfs/dbraw/zinc/32/54/77/572325477.db2.gz CIMKTKRMBDGPHM-GOSISDBHSA-N 0 0 534.610 3.284 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260752902 572326088 /nfs/dbraw/zinc/32/60/88/572326088.db2.gz DKWWCAGUUQDJKX-LJQANCHMSA-N 0 0 516.620 3.145 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000260756023 571670347 /nfs/dbraw/zinc/67/03/47/571670347.db2.gz DVYLVCGHJVYYGZ-LJQANCHMSA-N 0 0 518.636 3.044 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260756105 571670359 /nfs/dbraw/zinc/67/03/59/571670359.db2.gz FBGILXKLLHFECN-LJQANCHMSA-N 0 0 546.646 3.154 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000260773195 571683464 /nfs/dbraw/zinc/68/34/64/571683464.db2.gz IKMRGCPFBWQUTG-QGZVFWFLSA-N 0 0 522.599 3.140 40 5 KGBBRN Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000260773323 571684188 /nfs/dbraw/zinc/68/41/88/571684188.db2.gz IQUSBYWSOZQOGO-HXUWFJFHSA-N 0 0 530.647 3.454 40 5 KGBBRN Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000260779124 571689400 /nfs/dbraw/zinc/68/94/00/571689400.db2.gz KAGNLHHEZSDVAA-LJQANCHMSA-N 0 0 516.620 3.145 40 5 KGBBRN COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000260787202 571695550 /nfs/dbraw/zinc/69/55/50/571695550.db2.gz LACMIEMJWPFSOY-LJQANCHMSA-N 0 0 576.672 3.244 40 5 KGBBRN COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000260795486 571703289 /nfs/dbraw/zinc/70/32/89/571703289.db2.gz NIAWYYOKUJHWHG-LJQANCHMSA-N 0 0 546.646 3.154 40 5 KGBBRN Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@H](C)C(=O)NC1CCCC1 ZINC000260797257 571704449 /nfs/dbraw/zinc/70/44/49/571704449.db2.gz PCFZHAXOXONFPR-HXUWFJFHSA-N 0 0 530.647 3.454 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260797297 571704651 /nfs/dbraw/zinc/70/46/51/571704651.db2.gz PFHUIBZMNAPEOI-QGZVFWFLSA-N 0 0 567.064 3.499 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000260800090 571708091 /nfs/dbraw/zinc/70/80/91/571708091.db2.gz OPHFUURETFDRAP-LJQANCHMSA-N 0 0 546.646 3.236 40 5 KGBBRN COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000260807060 571714633 /nfs/dbraw/zinc/71/46/33/571714633.db2.gz QVTQSLOCVXMFLK-LJQANCHMSA-N 0 0 546.646 3.154 40 5 KGBBRN Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000260811011 571718557 /nfs/dbraw/zinc/71/85/57/571718557.db2.gz UJWZWYASDXLSIW-LJQANCHMSA-N 0 0 516.620 3.145 40 5 KGBBRN Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000260813163 571720693 /nfs/dbraw/zinc/72/06/93/571720693.db2.gz UYPQJVXVPRPPBP-HXUWFJFHSA-N 0 0 530.647 3.454 40 5 KGBBRN Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)[C@H](C)C(=O)NC1CCCC1 ZINC000260813208 571720634 /nfs/dbraw/zinc/72/06/34/571720634.db2.gz VBBYFPJFNYGFDU-LJQANCHMSA-N 0 0 516.620 3.145 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260815407 571723790 /nfs/dbraw/zinc/72/37/90/571723790.db2.gz VXGPVWQVHPBJST-LJQANCHMSA-N 0 0 546.646 3.154 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260819630 571727412 /nfs/dbraw/zinc/72/74/12/571727412.db2.gz XDFYGTUDXMUWSL-QGZVFWFLSA-N 0 0 567.064 3.499 40 5 KGBBRN COc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000260821925 571731010 /nfs/dbraw/zinc/73/10/10/571731010.db2.gz WUSAMCYNHCNHDK-LJQANCHMSA-N 0 0 546.646 3.236 40 5 KGBBRN COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000260827832 571738014 /nfs/dbraw/zinc/73/80/14/571738014.db2.gz ZCSBMVBZJWYICI-LJQANCHMSA-N 0 0 546.646 3.236 40 5 KGBBRN COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000260827974 571738499 /nfs/dbraw/zinc/73/84/99/571738499.db2.gz ZKKUOMMBGHWHAS-LJQANCHMSA-N 0 0 576.672 3.244 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000260828975 571740215 /nfs/dbraw/zinc/74/02/15/571740215.db2.gz ZVZSNJTXAMWJJN-HXUWFJFHSA-N 0 0 560.673 3.278 40 5 KGBBRN Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 ZINC000260858633 571759139 /nfs/dbraw/zinc/75/91/39/571759139.db2.gz ASNUMWZCQFEZAT-HXUWFJFHSA-N 0 0 518.636 3.167 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260860246 571760092 /nfs/dbraw/zinc/76/00/92/571760092.db2.gz HVJXIKUVNAVVRS-QGZVFWFLSA-N 0 0 569.478 3.374 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260863440 571764457 /nfs/dbraw/zinc/76/44/57/571764457.db2.gz BZKGHRSOIWVQNT-QGZVFWFLSA-N 0 0 555.053 3.212 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260879769 571786070 /nfs/dbraw/zinc/78/60/70/571786070.db2.gz NPGNVXLCQNQVPO-QGZVFWFLSA-N 0 0 569.478 3.374 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260880315 571788346 /nfs/dbraw/zinc/78/83/46/571788346.db2.gz IESSTNBJIWNXIA-MOPGFXCFSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260880317 571788303 /nfs/dbraw/zinc/78/83/03/571788303.db2.gz IESSTNBJIWNXIA-OALUTQOASA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260885743 571796193 /nfs/dbraw/zinc/79/61/93/571796193.db2.gz CJUZAKWJCQZDPX-IRXDYDNUSA-N 0 0 525.027 3.346 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260885744 571796095 /nfs/dbraw/zinc/79/60/95/571796095.db2.gz CJUZAKWJCQZDPX-SJORKVTESA-N 0 0 525.027 3.346 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000260888039 571800354 /nfs/dbraw/zinc/80/03/54/571800354.db2.gz FDQDAPJFVOJNIQ-GOSISDBHSA-N 0 0 564.636 3.375 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260897492 571816594 /nfs/dbraw/zinc/81/65/94/571816594.db2.gz TXUKWXDLOYPIPY-MRXNPFEDSA-N 0 0 585.477 3.074 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260900082 571820388 /nfs/dbraw/zinc/82/03/88/571820388.db2.gz UTPUAKMCMWANRY-MRXNPFEDSA-N 0 0 585.477 3.074 40 5 KGBBRN Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260902071 571823503 /nfs/dbraw/zinc/82/35/03/571823503.db2.gz OHWRIZGMKKECGC-HXUWFJFHSA-N 0 0 518.636 3.167 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260902593 571825502 /nfs/dbraw/zinc/82/55/02/571825502.db2.gz DXRUKONPUAMJKQ-KNQAVFIVSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260902602 571825718 /nfs/dbraw/zinc/82/57/18/571825718.db2.gz DXRUKONPUAMJKQ-UGKGYDQZSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260904938 571829449 /nfs/dbraw/zinc/82/94/49/571829449.db2.gz FGHURTISUVWJKG-PMACEKPBSA-N 0 0 518.636 3.310 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260904941 571829461 /nfs/dbraw/zinc/82/94/61/571829461.db2.gz FGHURTISUVWJKG-UXHICEINSA-N 0 0 518.636 3.310 40 5 KGBBRN Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C ZINC000260909136 571835654 /nfs/dbraw/zinc/83/56/54/571835654.db2.gz QJFGMLOEMFKGKD-HXUWFJFHSA-N 0 0 518.636 3.167 40 5 KGBBRN COc1ccc(N(CC(=O)NC[C@H]2COc3ccccc3O2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260910253 571837484 /nfs/dbraw/zinc/83/74/84/571837484.db2.gz XLIHDMVCGNKSIA-FQEVSTJZSA-N 0 0 527.555 3.063 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260913037 571841670 /nfs/dbraw/zinc/84/16/70/571841670.db2.gz YFBNNUJADVXWBM-QGZVFWFLSA-N 0 0 525.027 3.265 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000260913881 571843195 /nfs/dbraw/zinc/84/31/95/571843195.db2.gz FYWZMOCWYFUZJK-GOSISDBHSA-N 0 0 504.609 3.001 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260915144 571846185 /nfs/dbraw/zinc/84/61/85/571846185.db2.gz RUHQTIQPKYAFCA-QGZVFWFLSA-N 0 0 555.053 3.212 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260922036 571857924 /nfs/dbraw/zinc/85/79/24/571857924.db2.gz GSVBMJVYZDLWOA-MOPGFXCFSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260922038 571857970 /nfs/dbraw/zinc/85/79/70/571857970.db2.gz GSVBMJVYZDLWOA-OALUTQOASA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260922068 571858526 /nfs/dbraw/zinc/85/85/26/571858526.db2.gz GTDOEOSTGFNQSN-CVDCTZTESA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260922070 571858513 /nfs/dbraw/zinc/85/85/13/571858513.db2.gz GTDOEOSTGFNQSN-XXBNENTESA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260925707 571865069 /nfs/dbraw/zinc/86/50/69/571865069.db2.gz GZNFHPNSFOSURO-JPYJTQIMSA-N 0 0 534.635 3.092 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260925709 571865068 /nfs/dbraw/zinc/86/50/68/571865068.db2.gz GZNFHPNSFOSURO-MBSDFSHPSA-N 0 0 534.635 3.092 40 5 KGBBRN Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000260931565 571876259 /nfs/dbraw/zinc/87/62/59/571876259.db2.gz HREABHXIVARQMV-GOSISDBHSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260933412 571881304 /nfs/dbraw/zinc/88/13/04/571881304.db2.gz HXWGIXHRFMOYQI-KNQAVFIVSA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260933414 571881452 /nfs/dbraw/zinc/88/14/52/571881452.db2.gz HXWGIXHRFMOYQI-UGKGYDQZSA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260942306 571898931 /nfs/dbraw/zinc/89/89/31/571898931.db2.gz ITJXUNASHDRJAB-AVRDEDQJSA-N 0 0 504.609 3.083 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260942307 571898964 /nfs/dbraw/zinc/89/89/64/571898964.db2.gz ITJXUNASHDRJAB-GCJKJVERSA-N 0 0 504.609 3.083 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260943583 571900527 /nfs/dbraw/zinc/90/05/27/571900527.db2.gz PMHWTTRSPAGOSI-QGZVFWFLSA-N 0 0 599.504 3.321 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260946020 571905393 /nfs/dbraw/zinc/90/53/93/571905393.db2.gz JHLBPQQVRYRVQT-CVDCTZTESA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260946025 571905433 /nfs/dbraw/zinc/90/54/33/571905433.db2.gz JHLBPQQVRYRVQT-XXBNENTESA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260950985 571913806 /nfs/dbraw/zinc/91/38/06/571913806.db2.gz JTMJODZOXPFPEA-MOPGFXCFSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260950986 571913769 /nfs/dbraw/zinc/91/37/69/571913769.db2.gz JTMJODZOXPFPEA-OALUTQOASA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260952196 571915879 /nfs/dbraw/zinc/91/58/79/571915879.db2.gz JYNTXCIAXPDGNL-PMACEKPBSA-N 0 0 518.636 3.310 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260952198 571915889 /nfs/dbraw/zinc/91/58/89/571915889.db2.gz JYNTXCIAXPDGNL-UXHICEINSA-N 0 0 518.636 3.310 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260954315 571920057 /nfs/dbraw/zinc/92/00/57/571920057.db2.gz UYQIPRYKTRLFCE-QGZVFWFLSA-N 0 0 555.053 3.212 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260956492 571923095 /nfs/dbraw/zinc/92/30/95/571923095.db2.gz VZUKCAPJHMXHRC-QGZVFWFLSA-N 0 0 599.504 3.321 40 5 KGBBRN Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000260956997 571924807 /nfs/dbraw/zinc/92/48/07/571924807.db2.gz KRVDHGYNCHAQMT-LJQANCHMSA-N 0 0 518.636 3.310 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260964196 571936465 /nfs/dbraw/zinc/93/64/65/571936465.db2.gz LPBHAQISAZLXRV-IRXDYDNUSA-N 0 0 555.053 3.355 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260964198 571936330 /nfs/dbraw/zinc/93/63/30/571936330.db2.gz LPBHAQISAZLXRV-SJORKVTESA-N 0 0 555.053 3.355 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260965625 571938611 /nfs/dbraw/zinc/93/86/11/571938611.db2.gz LPYHALQBGPNQGG-AVRDEDQJSA-N 0 0 564.661 3.100 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260965626 571938647 /nfs/dbraw/zinc/93/86/47/571938647.db2.gz LPYHALQBGPNQGG-GCJKJVERSA-N 0 0 564.661 3.100 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260965776 571938961 /nfs/dbraw/zinc/93/89/61/571938961.db2.gz LTAUCHAKPIBPTM-CVDCTZTESA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260965780 571939149 /nfs/dbraw/zinc/93/91/49/571939149.db2.gz LTAUCHAKPIBPTM-XXBNENTESA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260971100 571944050 /nfs/dbraw/zinc/94/40/50/571944050.db2.gz MNDWWPCUACGCSQ-CVDCTZTESA-N 0 0 518.636 3.391 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260971102 571943877 /nfs/dbraw/zinc/94/38/77/571943877.db2.gz MNDWWPCUACGCSQ-XXBNENTESA-N 0 0 518.636 3.391 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000260974314 571946604 /nfs/dbraw/zinc/94/66/04/571946604.db2.gz AGFOAMYOXUXIGO-MRXNPFEDSA-N 0 0 599.504 3.464 40 5 KGBBRN Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000260974505 571947248 /nfs/dbraw/zinc/94/72/48/571947248.db2.gz NAJWQYIGCNRBFK-GOSISDBHSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260974590 571947323 /nfs/dbraw/zinc/94/73/23/571947323.db2.gz NBRPHXZNFXHKRQ-JPYJTQIMSA-N 0 0 534.635 3.092 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260974592 571947275 /nfs/dbraw/zinc/94/72/75/571947275.db2.gz NBRPHXZNFXHKRQ-MBSDFSHPSA-N 0 0 534.635 3.092 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260974923 571947898 /nfs/dbraw/zinc/94/78/98/571947898.db2.gz JSIMSEFSWCPANW-QGZVFWFLSA-N 0 0 567.064 3.499 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260977113 571950651 /nfs/dbraw/zinc/95/06/51/571950651.db2.gz NJZCVHHZPOPGKN-JTSKRJEESA-N 0 0 522.599 3.222 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260977117 571950700 /nfs/dbraw/zinc/95/07/00/571950700.db2.gz NJZCVHHZPOPGKN-VGSWGCGISA-N 0 0 522.599 3.222 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260979718 571953370 /nfs/dbraw/zinc/95/33/70/571953370.db2.gz NVKDSCPKBNSHOM-PMACEKPBSA-N 0 0 518.636 3.310 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260979724 571953288 /nfs/dbraw/zinc/95/32/88/571953288.db2.gz NVKDSCPKBNSHOM-UXHICEINSA-N 0 0 518.636 3.310 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260979811 571953182 /nfs/dbraw/zinc/95/31/82/571953182.db2.gz NWASOEMJNWWELR-AVRDEDQJSA-N 0 0 564.661 3.100 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260979816 571953187 /nfs/dbraw/zinc/95/31/87/571953187.db2.gz NWASOEMJNWWELR-GCJKJVERSA-N 0 0 564.661 3.100 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000260981621 571956106 /nfs/dbraw/zinc/95/61/06/571956106.db2.gz BCYGHPNJQPOCRD-QGZVFWFLSA-N 0 0 522.599 3.140 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000260982130 571956839 /nfs/dbraw/zinc/95/68/39/571956839.db2.gz OHXPNMOUAUDNII-GOSISDBHSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260984962 571960281 /nfs/dbraw/zinc/96/02/81/571960281.db2.gz OUJSCQAYRKZVAM-NQIIRXRSSA-N 0 0 534.635 3.092 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260984965 571960266 /nfs/dbraw/zinc/96/02/66/571960266.db2.gz OUJSCQAYRKZVAM-RXVVDRJESA-N 0 0 534.635 3.092 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260985050 571960744 /nfs/dbraw/zinc/96/07/44/571960744.db2.gz OVXZIVUZNGKCHO-CVDCTZTESA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260985053 571960748 /nfs/dbraw/zinc/96/07/48/571960748.db2.gz OVXZIVUZNGKCHO-XXBNENTESA-N 0 0 548.662 3.400 40 5 KGBBRN Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C ZINC000260987248 571963459 /nfs/dbraw/zinc/96/34/59/571963459.db2.gz PGOROAYYVHTLIR-GOSISDBHSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260987273 571963412 /nfs/dbraw/zinc/96/34/12/571963412.db2.gz PHGOOJUESLWWLN-MOPGFXCFSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260987276 571963455 /nfs/dbraw/zinc/96/34/55/571963455.db2.gz PHGOOJUESLWWLN-OALUTQOASA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260988122 571965460 /nfs/dbraw/zinc/96/54/60/571965460.db2.gz PIHBQLOQWOOVHW-MOPGFXCFSA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260988123 571965480 /nfs/dbraw/zinc/96/54/80/571965480.db2.gz PIHBQLOQWOOVHW-OALUTQOASA-N 0 0 504.609 3.001 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260989280 571968135 /nfs/dbraw/zinc/96/81/35/571968135.db2.gz PSMMDQCFNLEHKR-MOPGFXCFSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260989282 571968122 /nfs/dbraw/zinc/96/81/22/571968122.db2.gz PSMMDQCFNLEHKR-OALUTQOASA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260990424 571969504 /nfs/dbraw/zinc/96/95/04/571969504.db2.gz PXFPJZDTGDAAIV-IRXDYDNUSA-N 0 0 525.027 3.346 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260990425 571969573 /nfs/dbraw/zinc/96/95/73/571969573.db2.gz PXFPJZDTGDAAIV-SJORKVTESA-N 0 0 525.027 3.346 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260995742 571978397 /nfs/dbraw/zinc/97/83/97/571978397.db2.gz QTUXAEJGHMMCFR-UTKZUKDTSA-N 0 0 552.625 3.231 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000260995744 571978375 /nfs/dbraw/zinc/97/83/75/571978375.db2.gz QTUXAEJGHMMCFR-UWJYYQICSA-N 0 0 552.625 3.231 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260997870 571982335 /nfs/dbraw/zinc/98/23/35/571982335.db2.gz RBONPARGPKEQSG-OFNKIYASSA-N 0 0 532.663 3.434 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260997872 571982225 /nfs/dbraw/zinc/98/22/25/571982225.db2.gz RBONPARGPKEQSG-REWPJTCUSA-N 0 0 532.663 3.434 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261003374 571991498 /nfs/dbraw/zinc/99/14/98/571991498.db2.gz SAKOFDPWJMYZAS-MSOLQXFVSA-N 0 0 522.599 3.140 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261003375 571991383 /nfs/dbraw/zinc/99/13/83/571991383.db2.gz SAKOFDPWJMYZAS-ROUUACIJSA-N 0 0 522.599 3.140 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261003380 571991461 /nfs/dbraw/zinc/99/14/61/571991461.db2.gz SASPNEGZKDLSOX-IRXDYDNUSA-N 0 0 555.053 3.355 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261003381 571991391 /nfs/dbraw/zinc/99/13/91/571991391.db2.gz SASPNEGZKDLSOX-SJORKVTESA-N 0 0 555.053 3.355 40 5 KGBBRN Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C ZINC000261005551 571994678 /nfs/dbraw/zinc/99/46/78/571994678.db2.gz SKZQFDLRIMSDDS-LJQANCHMSA-N 0 0 518.636 3.310 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261005571 571994800 /nfs/dbraw/zinc/99/48/00/571994800.db2.gz SLNJFNPBMVGONI-MOPGFXCFSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261005573 571994701 /nfs/dbraw/zinc/99/47/01/571994701.db2.gz SLNJFNPBMVGONI-OALUTQOASA-N 0 0 534.635 3.010 40 5 KGBBRN Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000261006579 571997066 /nfs/dbraw/zinc/99/70/66/571997066.db2.gz SSLJRVXYXWORRU-LJQANCHMSA-N 0 0 518.636 3.310 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261010378 572004646 /nfs/dbraw/zinc/00/46/46/572004646.db2.gz UFJIJOKCVMIVHO-CVDCTZTESA-N 0 0 518.636 3.125 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261010379 572004694 /nfs/dbraw/zinc/00/46/94/572004694.db2.gz UFJIJOKCVMIVHO-XXBNENTESA-N 0 0 518.636 3.125 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261016991 572015794 /nfs/dbraw/zinc/01/57/94/572015794.db2.gz VNSNSUIFKKETOJ-KNQAVFIVSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261016992 572015726 /nfs/dbraw/zinc/01/57/26/572015726.db2.gz VNSNSUIFKKETOJ-UGKGYDQZSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261017020 572015763 /nfs/dbraw/zinc/01/57/63/572015763.db2.gz VOSYWGQFJBOBFH-PMACEKPBSA-N 0 0 518.636 3.044 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261017022 572015740 /nfs/dbraw/zinc/01/57/40/572015740.db2.gz VOSYWGQFJBOBFH-UXHICEINSA-N 0 0 518.636 3.044 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261017029 572015742 /nfs/dbraw/zinc/01/57/42/572015742.db2.gz VPMYTLJPNNLYLW-MOPGFXCFSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261017030 572015801 /nfs/dbraw/zinc/01/58/01/572015801.db2.gz VPMYTLJPNNLYLW-OALUTQOASA-N 0 0 534.635 3.010 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000261019249 572019327 /nfs/dbraw/zinc/01/93/27/572019327.db2.gz VVJMSOBMWAJMJB-GOSISDBHSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261020967 572021217 /nfs/dbraw/zinc/02/12/17/572021217.db2.gz IKBSIAZDFMPAFP-IRXDYDNUSA-N 0 0 599.504 3.464 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261020968 572021309 /nfs/dbraw/zinc/02/13/09/572021309.db2.gz IKBSIAZDFMPAFP-SJORKVTESA-N 0 0 599.504 3.464 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261028096 572028458 /nfs/dbraw/zinc/02/84/58/572028458.db2.gz WUSBXGQZYRRZEM-KNQAVFIVSA-N 0 0 548.662 3.134 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261028099 572028506 /nfs/dbraw/zinc/02/85/06/572028506.db2.gz WUSBXGQZYRRZEM-UGKGYDQZSA-N 0 0 548.662 3.134 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261033025 572035582 /nfs/dbraw/zinc/03/55/82/572035582.db2.gz XNWKFSJVQKWMJD-KNQAVFIVSA-N 0 0 548.662 3.400 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261033027 572035532 /nfs/dbraw/zinc/03/55/32/572035532.db2.gz XNWKFSJVQKWMJD-UGKGYDQZSA-N 0 0 548.662 3.400 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000261033050 572035550 /nfs/dbraw/zinc/03/55/50/572035550.db2.gz XOHFIMNVWJRZGP-MRXNPFEDSA-N 0 0 555.053 3.355 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000261033148 572035827 /nfs/dbraw/zinc/03/58/27/572035827.db2.gz XPFLLDWIMPTGID-MRXNPFEDSA-N 0 0 555.053 3.355 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261034496 572037224 /nfs/dbraw/zinc/03/72/24/572037224.db2.gz XTLPDVJKHZVRND-MOPGFXCFSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261034497 572037209 /nfs/dbraw/zinc/03/72/09/572037209.db2.gz XTLPDVJKHZVRND-OALUTQOASA-N 0 0 534.635 3.010 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000261041380 572044770 /nfs/dbraw/zinc/04/47/70/572044770.db2.gz ZGSFNLDTFGCRFW-GOSISDBHSA-N 0 0 534.610 3.284 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000261049426 572054369 /nfs/dbraw/zinc/05/43/69/572054369.db2.gz ZUQWMZNQCUWAAR-GOSISDBHSA-N 0 0 534.635 3.010 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261069254 572068406 /nfs/dbraw/zinc/06/84/06/572068406.db2.gz PGSWSPGXTMTVBQ-IRXDYDNUSA-N 0 0 599.504 3.464 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261069256 572068430 /nfs/dbraw/zinc/06/84/30/572068430.db2.gz PGSWSPGXTMTVBQ-SJORKVTESA-N 0 0 599.504 3.464 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261070337 572069837 /nfs/dbraw/zinc/06/98/37/572069837.db2.gz PQPPTLMAAAAKDM-MSOLQXFVSA-N 0 0 522.599 3.140 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261070338 572069789 /nfs/dbraw/zinc/06/97/89/572069789.db2.gz PQPPTLMAAAAKDM-ROUUACIJSA-N 0 0 522.599 3.140 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261084517 572077143 /nfs/dbraw/zinc/07/71/43/572077143.db2.gz RXMGWWKALQHHLP-IRXDYDNUSA-N 0 0 555.053 3.355 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261084518 572077139 /nfs/dbraw/zinc/07/71/39/572077139.db2.gz RXMGWWKALQHHLP-SJORKVTESA-N 0 0 555.053 3.355 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000261087950 572079525 /nfs/dbraw/zinc/07/95/25/572079525.db2.gz SPKGLTDIPPXULE-MRXNPFEDSA-N 0 0 599.504 3.464 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261111975 572095212 /nfs/dbraw/zinc/09/52/12/572095212.db2.gz XXJDZRSBQWIUOF-IRXDYDNUSA-N 0 0 569.478 3.455 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261111976 572095208 /nfs/dbraw/zinc/09/52/08/572095208.db2.gz XXJDZRSBQWIUOF-SJORKVTESA-N 0 0 569.478 3.455 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000261113508 572096298 /nfs/dbraw/zinc/09/62/98/572096298.db2.gz YFPWDOSMMGIMJV-MRXNPFEDSA-N 0 0 555.053 3.355 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261114828 572096759 /nfs/dbraw/zinc/09/67/59/572096759.db2.gz YGSGAHBLWNJCRI-IRXDYDNUSA-N 0 0 569.478 3.455 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261114831 572096656 /nfs/dbraw/zinc/09/66/56/572096656.db2.gz YGSGAHBLWNJCRI-SJORKVTESA-N 0 0 569.478 3.455 40 5 KGBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261121954 572100717 /nfs/dbraw/zinc/10/07/17/572100717.db2.gz ZICKOCPNHGDSAP-IRXDYDNUSA-N 0 0 525.027 3.346 40 5 KGBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261121957 572100622 /nfs/dbraw/zinc/10/06/22/572100622.db2.gz ZICKOCPNHGDSAP-SJORKVTESA-N 0 0 525.027 3.346 40 5 KGBBRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(OC)cc([N+](=O)[O-])c1OC(C)=O ZINC000261363247 572105179 /nfs/dbraw/zinc/10/51/79/572105179.db2.gz QIHWJKWOIJCHLS-JOCHJYFZSA-O 0 0 512.524 3.004 40 5 KGBBRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(OC)cc([N+](=O)[O-])c1OC(C)=O ZINC000261363251 572105315 /nfs/dbraw/zinc/10/53/15/572105315.db2.gz QIHWJKWOIJCHLS-QFIPXVFZSA-O 0 0 512.524 3.004 40 5 KGBBRN CCC(=O)Oc1c([C@@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc(OC)cc1[N+](=O)[O-] ZINC000261363782 572105779 /nfs/dbraw/zinc/10/57/79/572105779.db2.gz IFCJPOAKZWWTNT-HSZRJFAPSA-O 0 0 526.551 3.394 40 5 KGBBRN CCC(=O)Oc1c([C@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc(OC)cc1[N+](=O)[O-] ZINC000261363783 572105974 /nfs/dbraw/zinc/10/59/74/572105974.db2.gz IFCJPOAKZWWTNT-QHCPKHFHSA-O 0 0 526.551 3.394 40 5 KGBBRN CSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000261364980 572107199 /nfs/dbraw/zinc/10/71/99/572107199.db2.gz PCNCEPJOEPTAMY-IBGZPJMESA-O 0 0 533.340 3.171 40 5 KGBBRN CSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000261364981 572107297 /nfs/dbraw/zinc/10/72/97/572107297.db2.gz PCNCEPJOEPTAMY-LJQANCHMSA-O 0 0 533.340 3.171 40 5 KGBBRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@@H]1c1cc(OC)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC000261365297 572108074 /nfs/dbraw/zinc/10/80/74/572108074.db2.gz RFGOKPIPEXNFPH-JOCHJYFZSA-O 0 0 512.524 3.004 40 5 KGBBRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@H]1c1cc(OC)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC000261365298 572107865 /nfs/dbraw/zinc/10/78/65/572107865.db2.gz RFGOKPIPEXNFPH-QFIPXVFZSA-O 0 0 512.524 3.004 40 5 KGBBRN CCC(=O)Oc1ccc([C@@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c([N+](=O)[O-])c1OC ZINC000261365937 572108498 /nfs/dbraw/zinc/10/84/98/572108498.db2.gz WIRYBVCXPBNCSY-HSZRJFAPSA-O 0 0 526.551 3.394 40 5 KGBBRN CCC(=O)Oc1ccc([C@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c([N+](=O)[O-])c1OC ZINC000261365938 572108423 /nfs/dbraw/zinc/10/84/23/572108423.db2.gz WIRYBVCXPBNCSY-QHCPKHFHSA-O 0 0 526.551 3.394 40 5 KGBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)cc1Cl ZINC000408526495 572157739 /nfs/dbraw/zinc/15/77/39/572157739.db2.gz BQBZEUXPHXSPAP-WSVATBPTSA-N 0 0 515.935 3.422 40 5 KGBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)c1 ZINC000408526666 572158090 /nfs/dbraw/zinc/15/80/90/572158090.db2.gz BSZLKAGTSKGAKA-LSCVHKIXSA-N 0 0 513.557 3.182 40 5 KGBBRN Cn1c2cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408527781 572161906 /nfs/dbraw/zinc/16/19/06/572161906.db2.gz FNOOPCBLFBCZSX-IUXPMGMMSA-N 0 0 501.908 3.114 40 5 KGBBRN Cn1c2cc(/C=C3\SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408527861 572161992 /nfs/dbraw/zinc/16/19/92/572161992.db2.gz FVCXTLVHMZSEIE-DVZOWYKESA-N 0 0 502.892 3.404 40 5 KGBBRN Cn1c2cc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408530210 572170846 /nfs/dbraw/zinc/17/08/46/572170846.db2.gz JQEYHSFODWGEAA-IDUWFGFVSA-N 0 0 501.908 3.114 40 5 KGBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)cc1Cl ZINC000408531104 572174431 /nfs/dbraw/zinc/17/44/31/572174431.db2.gz MADGCEASBJFHBY-WSVATBPTSA-N 0 0 531.934 3.122 40 5 KGBBRN Cn1c2cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408531200 572174981 /nfs/dbraw/zinc/17/49/81/572174981.db2.gz MLUIQRYPNHTTQC-IUXPMGMMSA-N 0 0 546.359 3.223 40 5 KGBBRN Cn1c2cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408532037 572178197 /nfs/dbraw/zinc/17/81/97/572178197.db2.gz NCSYSLPCDXNKTC-IUXPMGMMSA-N 0 0 593.359 3.065 40 5 KGBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)ccc1Cl ZINC000408532379 572179731 /nfs/dbraw/zinc/17/97/31/572179731.db2.gz OEDFMWNEJYNDAL-UWVJOHFNSA-N 0 0 573.971 3.290 40 5 KGBBRN Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(C=C3SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)cc21 ZINC000408535127 572187928 /nfs/dbraw/zinc/18/79/28/572187928.db2.gz USWMCCFWMDGPBD-LSCVHKIXSA-N 0 0 531.344 3.467 40 5 KGBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1=O ZINC000408535811 572189655 /nfs/dbraw/zinc/18/96/55/572189655.db2.gz WUEDZNOIWZAHII-WSVATBPTSA-N 0 0 515.935 3.422 40 5 KGBBRN Cn1c2cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408535827 572189514 /nfs/dbraw/zinc/18/95/14/572189514.db2.gz XAERZPKXLUEBGG-IUXPMGMMSA-N 0 0 546.359 3.223 40 5 KGBBRN Cn1c2cc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(N3CCN(c4ccccc4)CC3)cc2n(C)c1=O ZINC000408536521 572191262 /nfs/dbraw/zinc/19/12/62/572191262.db2.gz WRFGIJIBXNTDQN-UHFFFAOYSA-N 0 0 531.529 3.272 40 5 KGBBRN CCn1c(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)nnc1-c1cc(Br)ccc1O ZINC000408542147 572210082 /nfs/dbraw/zinc/21/00/82/572210082.db2.gz HBHRHXLGGGBKHZ-UHFFFAOYSA-N 0 0 562.406 3.263 40 5 KGBBRN Cn1c2cc(NC(=O)CSc3nnc(-c4ccccc4O)n3-c3ccccc3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408542565 572210692 /nfs/dbraw/zinc/21/06/92/572210692.db2.gz JQOHVJXHDOCJSG-UHFFFAOYSA-N 0 0 531.554 3.469 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1)S(C)(=O)=O ZINC000408543053 572211752 /nfs/dbraw/zinc/21/17/52/572211752.db2.gz CHSZJRZZGLWOLK-UHFFFAOYSA-N 0 0 562.626 3.426 40 5 KGBBRN Cn1c2cc(NC(=O)CSc3nc4ccccc4c(=O)n3-c3ccccc3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408543501 572212640 /nfs/dbraw/zinc/21/26/40/572212640.db2.gz PNMBWTSOYWVQJQ-UHFFFAOYSA-N 0 0 516.539 3.215 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1)S(C)(=O)=O ZINC000408547299 572225299 /nfs/dbraw/zinc/22/52/99/572225299.db2.gz YOQWZHYPRWBFTR-UHFFFAOYSA-N 0 0 548.599 3.117 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC000408547525 572225828 /nfs/dbraw/zinc/22/58/28/572225828.db2.gz ZGDYAFYRPCTECB-KRWDZBQOSA-N 0 0 526.571 3.499 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O ZINC000408547526 572225655 /nfs/dbraw/zinc/22/56/55/572225655.db2.gz ZGDYAFYRPCTECB-QGZVFWFLSA-N 0 0 526.571 3.499 40 5 KGBBRN COC(=O)CN1C(=O)N/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000408547934 572227872 /nfs/dbraw/zinc/22/78/72/572227872.db2.gz AWDFBGIZHZOEOC-LZYBPNLTSA-N 0 0 520.292 3.011 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1)S(C)(=O)=O ZINC000408548146 572228302 /nfs/dbraw/zinc/22/83/02/572228302.db2.gz PSHVRTNARDQWPF-UHFFFAOYSA-N 0 0 562.626 3.426 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1)S(C)(=O)=O ZINC000408548177 572228325 /nfs/dbraw/zinc/22/83/25/572228325.db2.gz QFYZPZZCNTVYKT-UHFFFAOYSA-N 0 0 562.626 3.426 40 5 KGBBRN COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000408548530 572229389 /nfs/dbraw/zinc/22/93/89/572229389.db2.gz IGJBGHRQCRLFRO-LZYBPNLTSA-N 0 0 663.162 3.449 40 5 KGBBRN COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000408548631 572229569 /nfs/dbraw/zinc/22/95/69/572229569.db2.gz KBFTYGUGJOEMAG-LZYBPNLTSA-N 0 0 520.292 3.011 40 5 KGBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408548647 572229617 /nfs/dbraw/zinc/22/96/17/572229617.db2.gz KKFXKJDYZSHJGT-CAOOACKPSA-N 0 0 534.319 3.401 40 5 KGBBRN COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000408548836 572230159 /nfs/dbraw/zinc/23/01/59/572230159.db2.gz LXOXOBBBGHVYBV-FRKPEAEDSA-N 0 0 520.292 3.011 40 5 KGBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408548963 572230197 /nfs/dbraw/zinc/23/01/97/572230197.db2.gz OIIPTEWWKIOPHT-CAOOACKPSA-N 0 0 534.319 3.401 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)S(C)(=O)=O ZINC000408549018 572230185 /nfs/dbraw/zinc/23/01/85/572230185.db2.gz VSPUWFLJOYSQMK-UHFFFAOYSA-N 0 0 569.017 3.462 40 5 KGBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408549148 572231086 /nfs/dbraw/zinc/23/10/86/572231086.db2.gz PXEKMRIHERARIS-RQZCQDPDSA-N 0 0 534.319 3.401 40 5 KGBBRN COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000408549175 572230751 /nfs/dbraw/zinc/23/07/51/572230751.db2.gz QIFVQJJDICWDHV-LZYBPNLTSA-N 0 0 663.162 3.449 40 5 KGBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408549229 572231293 /nfs/dbraw/zinc/23/12/93/572231293.db2.gz RDXLYUIXQVOOAU-RQZCQDPDSA-N 0 0 534.319 3.401 40 5 KGBBRN COC(=O)CN1C(=O)N/C(=C\c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O ZINC000408549426 572232184 /nfs/dbraw/zinc/23/21/84/572232184.db2.gz SOWQLBAVTPVSIY-FRKPEAEDSA-N 0 0 520.292 3.011 40 5 KGBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408549626 572232424 /nfs/dbraw/zinc/23/24/24/572232424.db2.gz VWRGTESHJHTGSS-RQZCQDPDSA-N 0 0 581.319 3.243 40 5 KGBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408549819 572232393 /nfs/dbraw/zinc/23/23/93/572232393.db2.gz ZQQGVQXVWNDZIJ-RQZCQDPDSA-N 0 0 581.319 3.243 40 5 KGBBRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1OC ZINC000408554535 572241820 /nfs/dbraw/zinc/24/18/20/572241820.db2.gz TWFTTWYUZJDGNR-UHFFFAOYSA-N 0 0 529.571 3.459 40 5 KGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(I)c3)CC2)c([N+](=O)[O-])c1 ZINC000408571419 572257031 /nfs/dbraw/zinc/25/70/31/572257031.db2.gz AURLEAQBKWUOQN-UHFFFAOYSA-N 0 0 509.300 3.339 40 5 KGBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccccc3I)CC2)c([N+](=O)[O-])c1 ZINC000408571738 572257238 /nfs/dbraw/zinc/25/72/38/572257238.db2.gz DWHCLHYPSAIIBJ-UHFFFAOYSA-N 0 0 568.393 3.213 40 5 KGBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc(Cl)ccc3OC)CC2)c([N+](=O)[O-])c1 ZINC000408571824 572257398 /nfs/dbraw/zinc/25/73/98/572257398.db2.gz GEEHZJBFFQJOJY-UHFFFAOYSA-N 0 0 506.968 3.270 40 5 KGBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cccc(OC(C)C)c3)CC2)c([N+](=O)[O-])c1 ZINC000408572495 572257870 /nfs/dbraw/zinc/25/78/70/572257870.db2.gz IPCCWFAJMARZJX-UHFFFAOYSA-N 0 0 500.577 3.396 40 5 KGBBRN CCCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc(C(=O)OCC)cc3[N+](=O)[O-])CC2)c1 ZINC000408572586 572257854 /nfs/dbraw/zinc/25/78/54/572257854.db2.gz KQRQVXZTDBYHPD-UHFFFAOYSA-N 0 0 500.577 3.397 40 5 KGBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3c(F)c(F)c(OC)c(F)c3F)CC2)c([N+](=O)[O-])c1 ZINC000408573055 572258495 /nfs/dbraw/zinc/25/84/95/572258495.db2.gz LKZBDXRPBIRDPX-UHFFFAOYSA-N 0 0 544.483 3.173 40 5 KGBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 ZINC000408573101 572258633 /nfs/dbraw/zinc/25/86/33/572258633.db2.gz LXJYOMOTJXSJNG-UHFFFAOYSA-N 0 0 556.601 3.117 40 5 KGBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cccc(Br)c3)CC2)c([N+](=O)[O-])c1 ZINC000408573722 572259145 /nfs/dbraw/zinc/25/91/45/572259145.db2.gz NOPDLNUMTFCFDT-UHFFFAOYSA-N 0 0 521.393 3.371 40 5 KGBBRN CCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(=O)OCC)cc3[N+](=O)[O-])CC2)cc1 ZINC000408573797 572259150 /nfs/dbraw/zinc/25/91/50/572259150.db2.gz OIBWJJBHSUUSGX-UHFFFAOYSA-N 0 0 500.577 3.397 40 5 KGBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(OC)c(Br)c3)CC2)c([N+](=O)[O-])c1 ZINC000408573836 572259144 /nfs/dbraw/zinc/25/91/44/572259144.db2.gz ORSZZYPGYFCEEV-UHFFFAOYSA-N 0 0 551.419 3.380 40 5 KGBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(OC(C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408574582 572259762 /nfs/dbraw/zinc/25/97/62/572259762.db2.gz SEXCPSVVBXTWFV-UHFFFAOYSA-N 0 0 500.577 3.396 40 5 KGBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc(Br)ccc3OC)CC2)c([N+](=O)[O-])c1 ZINC000408574585 572259773 /nfs/dbraw/zinc/25/97/73/572259773.db2.gz SHKDJUWTIWPLIX-UHFFFAOYSA-N 0 0 551.419 3.380 40 5 KGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3I)CC2)c([N+](=O)[O-])c1 ZINC000408575212 572260425 /nfs/dbraw/zinc/26/04/25/572260425.db2.gz SXJHIKZBNMTNMH-UHFFFAOYSA-N 0 0 509.300 3.339 40 5 KGBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccccc3Br)CC2)c([N+](=O)[O-])c1 ZINC000408575475 572260462 /nfs/dbraw/zinc/26/04/62/572260462.db2.gz VCEVQHQRBLEQGC-UHFFFAOYSA-N 0 0 521.393 3.371 40 5 KGBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408576314 572261175 /nfs/dbraw/zinc/26/11/75/572261175.db2.gz XFKFLMISQMJAMR-UHFFFAOYSA-N 0 0 521.393 3.371 40 5 KGBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(OC)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000408576348 572261165 /nfs/dbraw/zinc/26/11/65/572261165.db2.gz XJEXQWJOGYCKJO-UHFFFAOYSA-N 0 0 506.968 3.270 40 5 KGBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cccc(I)c3)CC2)c([N+](=O)[O-])c1 ZINC000408576416 572261264 /nfs/dbraw/zinc/26/12/64/572261264.db2.gz XXNQTIDJPVRVQC-UHFFFAOYSA-N 0 0 568.393 3.213 40 5 KGBBRN CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)CCCC3 ZINC000408599373 572272202 /nfs/dbraw/zinc/27/22/02/572272202.db2.gz GTBOMCPNPURIFJ-UHFFFAOYSA-N 0 0 528.616 3.186 40 5 KGBBRN Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)COC(=O)c3cc(-c4ccc(C=O)o4)ccc3Cl)cc21 ZINC000408600490 572272552 /nfs/dbraw/zinc/27/25/52/572272552.db2.gz ZWICTKXKWVHPKZ-UHFFFAOYSA-N 0 0 512.862 3.307 40 5 KGBBRN O=C(COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000408602512 572273308 /nfs/dbraw/zinc/27/33/08/572273308.db2.gz CCDGOUXVKBYXRB-FPYGCLRLSA-N 0 0 527.921 3.474 40 5 KGBBRN COCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000408608483 572275523 /nfs/dbraw/zinc/27/55/23/572275523.db2.gz NGRWFNVAWAWWSE-UHFFFAOYSA-N 0 0 526.571 3.195 40 5 KGBBRN COc1ccc(Cl)cc1N(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408612119 572276764 /nfs/dbraw/zinc/27/67/64/572276764.db2.gz UGFLGYKDQJDETE-UHFFFAOYSA-N 0 0 521.983 3.164 40 5 KGBBRN COC(=O)c1cc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000408613286 572277099 /nfs/dbraw/zinc/27/70/99/572277099.db2.gz WDGWUZQGMYAJTC-UHFFFAOYSA-N 0 0 571.564 3.319 40 5 KGBBRN COC(=O)c1cc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc(C(=O)OC)c1 ZINC000408617782 572279773 /nfs/dbraw/zinc/27/97/73/572279773.db2.gz JRVAVOUFMLFEFC-UHFFFAOYSA-N 0 0 527.511 3.002 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCCCC1)S(C)(=O)=O ZINC000408617812 572279754 /nfs/dbraw/zinc/27/97/54/572279754.db2.gz JWBWTBQMPOKIMY-UHFFFAOYSA-N 0 0 504.565 3.024 40 5 KGBBRN COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000408622156 572281939 /nfs/dbraw/zinc/28/19/39/572281939.db2.gz BCYULSNDDJSYLY-UHFFFAOYSA-N 0 0 526.571 3.195 40 5 KGBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000408622830 572282387 /nfs/dbraw/zinc/28/23/87/572282387.db2.gz WBGOUZLHKVXXDA-NRFANRHFSA-N 0 0 538.582 3.338 40 5 KGBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000408622831 572282371 /nfs/dbraw/zinc/28/23/71/572282371.db2.gz WBGOUZLHKVXXDA-OAQYLSRUSA-N 0 0 538.582 3.338 40 5 KGBBRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000408622893 572282347 /nfs/dbraw/zinc/28/23/47/572282347.db2.gz WSHWGPPNUIJYMO-UHFFFAOYSA-N 0 0 529.527 3.233 40 5 KGBBRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000408625111 572283319 /nfs/dbraw/zinc/28/33/19/572283319.db2.gz IDMZAYAIQGQYOX-UHFFFAOYSA-N 0 0 529.527 3.233 40 5 KGBBRN COC(=O)c1cc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc(C(=O)OC)c1 ZINC000408627318 572284366 /nfs/dbraw/zinc/28/43/66/572284366.db2.gz ZDPITUWNIBRHRV-UHFFFAOYSA-N 0 0 527.511 3.002 40 5 KGBBRN COc1cc(OC)cc(-c2nc(SC(=Cc3cc([N+](=O)[O-])ccc3N3CC[NH+](C)CC3)C(=O)[O-])n[nH]2)c1 ZINC000408634044 572290994 /nfs/dbraw/zinc/29/09/94/572290994.db2.gz RIPQJZRSUFXDNH-FYJGNVAPSA-N 0 0 526.575 3.367 40 5 KGBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1 ZINC000408637376 572294389 /nfs/dbraw/zinc/29/43/89/572294389.db2.gz JNWODCQSDWPOJT-IBGZPJMESA-N 0 0 538.534 3.450 40 5 KGBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1 ZINC000408637377 572294437 /nfs/dbraw/zinc/29/44/37/572294437.db2.gz JNWODCQSDWPOJT-LJQANCHMSA-N 0 0 538.534 3.450 40 5 KGBBRN COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408637602 572294547 /nfs/dbraw/zinc/29/45/47/572294547.db2.gz AQNFZSWRQBOGKD-UHFFFAOYSA-N 0 0 504.411 3.048 40 5 KGBBRN COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408638264 572294986 /nfs/dbraw/zinc/29/49/86/572294986.db2.gz QKYNFOHDTZQRFK-FQEVSTJZSA-N 0 0 546.488 3.380 40 5 KGBBRN COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408638265 572295004 /nfs/dbraw/zinc/29/50/04/572295004.db2.gz QKYNFOHDTZQRFK-HXUWFJFHSA-N 0 0 546.488 3.380 40 5 KGBBRN COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408638926 572295455 /nfs/dbraw/zinc/29/54/55/572295455.db2.gz DPEPQFLXPHDMKL-AWEZNQCLSA-N 0 0 518.438 3.436 40 5 KGBBRN COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408638927 572295465 /nfs/dbraw/zinc/29/54/65/572295465.db2.gz DPEPQFLXPHDMKL-CQSZACIVSA-N 0 0 518.438 3.436 40 5 KGBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408639899 572296151 /nfs/dbraw/zinc/29/61/51/572296151.db2.gz GNUOPECCBZVRJB-UHFFFAOYSA-N 0 0 546.448 3.111 40 5 KGBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)CCC3=O)cc2)cc1 ZINC000408639941 572296254 /nfs/dbraw/zinc/29/62/54/572296254.db2.gz GUKXYTGZGZXLNO-UHFFFAOYSA-N 0 0 551.533 3.060 40 5 KGBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3)cc2)cc1 ZINC000408641878 572297256 /nfs/dbraw/zinc/29/72/56/572297256.db2.gz DHXTZKZOIZIMJO-IBGZPJMESA-N 0 0 538.534 3.450 40 5 KGBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3)cc2)cc1 ZINC000408641879 572297252 /nfs/dbraw/zinc/29/72/52/572297252.db2.gz DHXTZKZOIZIMJO-LJQANCHMSA-N 0 0 538.534 3.450 40 5 KGBBRN COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000408642248 572297596 /nfs/dbraw/zinc/29/75/96/572297596.db2.gz MHPJSWXMDPHXIF-UHFFFAOYSA-N 0 0 504.411 3.048 40 5 KGBBRN COc1cccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)c1 ZINC000408642948 572298024 /nfs/dbraw/zinc/29/80/24/572298024.db2.gz PXHHMCJBGSVPFC-HNNXBMFYSA-N 0 0 501.451 3.363 40 5 KGBBRN COc1cccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)c1 ZINC000408642949 572298027 /nfs/dbraw/zinc/29/80/27/572298027.db2.gz PXHHMCJBGSVPFC-OAHLLOKOSA-N 0 0 501.451 3.363 40 5 KGBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)CCCC3=O)cc2)cc1 ZINC000408645397 572299173 /nfs/dbraw/zinc/29/91/73/572299173.db2.gz SHUAKUSUOQGDKJ-UHFFFAOYSA-N 0 0 565.560 3.450 40 5 KGBBRN NC(=O)C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408647311 572300441 /nfs/dbraw/zinc/30/04/41/572300441.db2.gz BQADLYZTEOCGSP-AAWHCLRQSA-N 0 0 594.407 3.475 40 5 KGBBRN NC(=O)C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408647316 572300450 /nfs/dbraw/zinc/30/04/50/572300450.db2.gz BQADLYZTEOCGSP-VRTXKXEJSA-N 0 0 594.407 3.475 40 5 KGBBRN NC(=O)C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408647321 572300459 /nfs/dbraw/zinc/30/04/59/572300459.db2.gz BQADLYZTEOCGSP-XYZPLQHNSA-N 0 0 594.407 3.475 40 5 KGBBRN COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)CCC3=O)cc2)c1 ZINC000408648507 572301208 /nfs/dbraw/zinc/30/12/08/572301208.db2.gz WMWDXLUEVSHUFA-UHFFFAOYSA-N 0 0 531.477 3.212 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1=O ZINC000408649830 572302192 /nfs/dbraw/zinc/30/21/92/572302192.db2.gz AJUSOBKEZNVRHQ-CDHQVMDDSA-N 0 0 505.483 3.018 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1=O ZINC000408649833 572302157 /nfs/dbraw/zinc/30/21/57/572302157.db2.gz AJUSOBKEZNVRHQ-RYGJVYDSSA-N 0 0 505.483 3.018 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1=O ZINC000408649836 572302194 /nfs/dbraw/zinc/30/21/94/572302194.db2.gz AJUSOBKEZNVRHQ-XPGWFJOJSA-N 0 0 505.483 3.018 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1=O ZINC000408649839 572302218 /nfs/dbraw/zinc/30/22/18/572302218.db2.gz AJUSOBKEZNVRHQ-YSGRDPCXSA-N 0 0 505.483 3.018 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@@H]4C3=O)cc2)CC1=O ZINC000408651448 572303195 /nfs/dbraw/zinc/30/31/95/572303195.db2.gz CJPYGMBSKKBKEB-BMYILPHFSA-N 0 0 519.510 3.264 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@@H]4C3=O)cc2)CC1=O ZINC000408651450 572303278 /nfs/dbraw/zinc/30/32/78/572303278.db2.gz CJPYGMBSKKBKEB-JCRNEGGVSA-N 0 0 519.510 3.264 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)CC1=O ZINC000408651451 572303285 /nfs/dbraw/zinc/30/32/85/572303285.db2.gz CJPYGMBSKKBKEB-VLHJDKHSSA-N 0 0 519.510 3.264 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)CC1=O ZINC000408651453 572303287 /nfs/dbraw/zinc/30/32/87/572303287.db2.gz CJPYGMBSKKBKEB-ZMTGESCRSA-N 0 0 519.510 3.264 40 5 KGBBRN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000408651731 572303446 /nfs/dbraw/zinc/30/34/46/572303446.db2.gz DRJSVBYJKTZIIU-GOSISDBHSA-N 0 0 518.482 3.062 40 5 KGBBRN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000408651732 572303459 /nfs/dbraw/zinc/30/34/59/572303459.db2.gz DRJSVBYJKTZIIU-SFHVURJKSA-N 0 0 518.482 3.062 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)c2)CC1=O ZINC000408652637 572303967 /nfs/dbraw/zinc/30/39/67/572303967.db2.gz DQRYPVPAOPEADW-HDIOYNLWSA-N 0 0 521.526 3.488 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)CC1=O ZINC000408652638 572303956 /nfs/dbraw/zinc/30/39/56/572303956.db2.gz DQRYPVPAOPEADW-IMAQQZIHSA-N 0 0 521.526 3.488 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)c2)CC1=O ZINC000408652640 572303989 /nfs/dbraw/zinc/30/39/89/572303989.db2.gz DQRYPVPAOPEADW-NBJYBMASSA-N 0 0 521.526 3.488 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)CC1=O ZINC000408652643 572303972 /nfs/dbraw/zinc/30/39/72/572303972.db2.gz DQRYPVPAOPEADW-OBNJBMLMSA-N 0 0 521.526 3.488 40 5 KGBBRN CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(OC)ccc3[N+](=O)[O-])CC2=O)cc1 ZINC000408653292 572304304 /nfs/dbraw/zinc/30/43/04/572304304.db2.gz FALYDVLBMFLFET-KRWDZBQOSA-N 0 0 513.503 3.095 40 5 KGBBRN CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(OC)ccc3[N+](=O)[O-])CC2=O)cc1 ZINC000408653293 572304311 /nfs/dbraw/zinc/30/43/11/572304311.db2.gz FALYDVLBMFLFET-QGZVFWFLSA-N 0 0 513.503 3.095 40 5 KGBBRN NC(=O)C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408654175 572304906 /nfs/dbraw/zinc/30/49/06/572304906.db2.gz JYDUQTDTEHDYBW-RGMHLAMDSA-N 0 0 622.417 3.158 40 5 KGBBRN NC(=O)C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408654176 572304871 /nfs/dbraw/zinc/30/48/71/572304871.db2.gz JYDUQTDTEHDYBW-XVJHOOSSSA-N 0 0 622.417 3.158 40 5 KGBBRN NC(=O)C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408654177 572304908 /nfs/dbraw/zinc/30/49/08/572304908.db2.gz JYDUQTDTEHDYBW-ZZSBRQPYSA-N 0 0 622.417 3.158 40 5 KGBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000408655231 572305519 /nfs/dbraw/zinc/30/55/19/572305519.db2.gz LTCUVUJMZQENQI-NRFANRHFSA-N 0 0 530.537 3.097 40 5 KGBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000408655232 572305510 /nfs/dbraw/zinc/30/55/10/572305510.db2.gz LTCUVUJMZQENQI-OAQYLSRUSA-N 0 0 530.537 3.097 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@H]4CC=C(C)C[C@@H]4C3=O)c2)CC1=O ZINC000408655249 572305520 /nfs/dbraw/zinc/30/55/20/572305520.db2.gz GTBBTKSWELFWJS-CZAAIQMYSA-N 0 0 519.510 3.408 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CC=C(C)C[C@@H]4C3=O)c2)CC1=O ZINC000408655251 572305512 /nfs/dbraw/zinc/30/55/12/572305512.db2.gz GTBBTKSWELFWJS-HBGVWJBISA-N 0 0 519.510 3.408 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CC=C(C)C[C@H]4C3=O)c2)CC1=O ZINC000408655253 572305509 /nfs/dbraw/zinc/30/55/09/572305509.db2.gz GTBBTKSWELFWJS-MAODMQOUSA-N 0 0 519.510 3.408 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CC(C)=CC[C@@H]4C3=O)c2)CC1=O ZINC000408655254 572305490 /nfs/dbraw/zinc/30/54/90/572305490.db2.gz GTBBTKSWELFWJS-TYCQWZJGSA-N 0 0 519.510 3.408 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c(C)c2)CC1=O ZINC000408655333 572305521 /nfs/dbraw/zinc/30/55/21/572305521.db2.gz GZXBSVTXKBVJFH-AHRSYUTCSA-N 0 0 519.510 3.326 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c(C)c2)CC1=O ZINC000408655335 572305501 /nfs/dbraw/zinc/30/55/01/572305501.db2.gz GZXBSVTXKBVJFH-FFZOFVMBSA-N 0 0 519.510 3.326 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c(C)c2)CC1=O ZINC000408655337 572305495 /nfs/dbraw/zinc/30/54/95/572305495.db2.gz GZXBSVTXKBVJFH-NSISKUIASA-N 0 0 519.510 3.326 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c(C)c2)CC1=O ZINC000408655339 572305524 /nfs/dbraw/zinc/30/55/24/572305524.db2.gz GZXBSVTXKBVJFH-UXPWSPDFSA-N 0 0 519.510 3.326 40 5 KGBBRN COc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)cc1 ZINC000408656191 572305903 /nfs/dbraw/zinc/30/59/03/572305903.db2.gz HKGMHSBZSYAFEW-HNNXBMFYSA-N 0 0 501.451 3.363 40 5 KGBBRN COc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)cc1 ZINC000408656194 572305921 /nfs/dbraw/zinc/30/59/21/572305921.db2.gz HKGMHSBZSYAFEW-OAHLLOKOSA-N 0 0 501.451 3.363 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1=O ZINC000408657007 572306421 /nfs/dbraw/zinc/30/64/21/572306421.db2.gz IDPXXYRSCUEFRN-HNNXBMFYSA-N 0 0 501.451 3.363 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1=O ZINC000408657009 572306452 /nfs/dbraw/zinc/30/64/52/572306452.db2.gz IDPXXYRSCUEFRN-OAHLLOKOSA-N 0 0 501.451 3.363 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)CC1=O ZINC000408657454 572306648 /nfs/dbraw/zinc/30/66/48/572306648.db2.gz UGKWUOYSLFDJIU-IBGZPJMESA-N 0 0 568.560 3.459 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)CC1=O ZINC000408657455 572306616 /nfs/dbraw/zinc/30/66/16/572306616.db2.gz UGKWUOYSLFDJIU-LJQANCHMSA-N 0 0 568.560 3.459 40 5 KGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(=O)OCC(C)C)c2)c1 ZINC000408657591 572306779 /nfs/dbraw/zinc/30/67/79/572306779.db2.gz HCXVFPXSRMGHFK-UHFFFAOYSA-N 0 0 501.492 3.317 40 5 KGBBRN NC(=O)C[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408657703 572306860 /nfs/dbraw/zinc/30/68/60/572306860.db2.gz NKMFWUPNXDPLAP-AAWHCLRQSA-N 0 0 594.407 3.475 40 5 KGBBRN NC(=O)C[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408657707 572306882 /nfs/dbraw/zinc/30/68/82/572306882.db2.gz NKMFWUPNXDPLAP-VRTXKXEJSA-N 0 0 594.407 3.475 40 5 KGBBRN NC(=O)C[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408657711 572306895 /nfs/dbraw/zinc/30/68/95/572306895.db2.gz NKMFWUPNXDPLAP-XYZPLQHNSA-N 0 0 594.407 3.475 40 5 KGBBRN CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])c1 ZINC000408658242 572307069 /nfs/dbraw/zinc/30/70/69/572307069.db2.gz IHVJUUXBFUEPAC-UHFFFAOYSA-N 0 0 501.492 3.461 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@@H]4C3=O)c2)CC1=O ZINC000408658635 572307364 /nfs/dbraw/zinc/30/73/64/572307364.db2.gz JWEZVDBKOXAWEN-BMYILPHFSA-N 0 0 519.510 3.264 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@@H]4C3=O)c2)CC1=O ZINC000408658640 572307400 /nfs/dbraw/zinc/30/74/00/572307400.db2.gz JWEZVDBKOXAWEN-JCRNEGGVSA-N 0 0 519.510 3.264 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)c2)CC1=O ZINC000408658644 572307406 /nfs/dbraw/zinc/30/74/06/572307406.db2.gz JWEZVDBKOXAWEN-VLHJDKHSSA-N 0 0 519.510 3.264 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)c2)CC1=O ZINC000408658649 572307355 /nfs/dbraw/zinc/30/73/55/572307355.db2.gz JWEZVDBKOXAWEN-ZMTGESCRSA-N 0 0 519.510 3.264 40 5 KGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1 ZINC000408658759 572307473 /nfs/dbraw/zinc/30/74/73/572307473.db2.gz IRDOWSLBAZHYEP-UHFFFAOYSA-N 0 0 501.492 3.317 40 5 KGBBRN NC(=O)C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408659665 572307991 /nfs/dbraw/zinc/30/79/91/572307991.db2.gz OXWCKICHOMXHET-RGMHLAMDSA-N 0 0 622.417 3.158 40 5 KGBBRN NC(=O)C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408659668 572307978 /nfs/dbraw/zinc/30/79/78/572307978.db2.gz OXWCKICHOMXHET-XVJHOOSSSA-N 0 0 622.417 3.158 40 5 KGBBRN NC(=O)C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408659670 572307989 /nfs/dbraw/zinc/30/79/89/572307989.db2.gz OXWCKICHOMXHET-ZZSBRQPYSA-N 0 0 622.417 3.158 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)CC1=O ZINC000408662312 572309536 /nfs/dbraw/zinc/30/95/36/572309536.db2.gz XTHLQZVFXQSPMF-INIZCTEOSA-N 0 0 508.439 3.195 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)CC1=O ZINC000408662313 572309538 /nfs/dbraw/zinc/30/95/38/572309538.db2.gz XTHLQZVFXQSPMF-MRXNPFEDSA-N 0 0 508.439 3.195 40 5 KGBBRN CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])cc1 ZINC000408662539 572309654 /nfs/dbraw/zinc/30/96/54/572309654.db2.gz JNLVHBJTVCOSPB-UHFFFAOYSA-N 0 0 501.492 3.461 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)CC1=O ZINC000408664143 572310625 /nfs/dbraw/zinc/31/06/25/572310625.db2.gz NTHPLBOJTUMQOX-HNNXBMFYSA-N 0 0 501.451 3.363 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)CC1=O ZINC000408664145 572310669 /nfs/dbraw/zinc/31/06/69/572310669.db2.gz NTHPLBOJTUMQOX-OAHLLOKOSA-N 0 0 501.451 3.363 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4CC=C(C)C[C@@H]4C3=O)cc2)CC1=O ZINC000408664188 572310672 /nfs/dbraw/zinc/31/06/72/572310672.db2.gz NXMXASJEUOAPCL-CZAAIQMYSA-N 0 0 519.510 3.408 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=C(C)C[C@@H]4C3=O)cc2)CC1=O ZINC000408664189 572310667 /nfs/dbraw/zinc/31/06/67/572310667.db2.gz NXMXASJEUOAPCL-HBGVWJBISA-N 0 0 519.510 3.408 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=C(C)C[C@H]4C3=O)cc2)CC1=O ZINC000408664190 572310650 /nfs/dbraw/zinc/31/06/50/572310650.db2.gz NXMXASJEUOAPCL-MAODMQOUSA-N 0 0 519.510 3.408 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC(C)=CC[C@@H]4C3=O)cc2)CC1=O ZINC000408664191 572310674 /nfs/dbraw/zinc/31/06/74/572310674.db2.gz NXMXASJEUOAPCL-TYCQWZJGSA-N 0 0 519.510 3.408 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O ZINC000408664207 572310660 /nfs/dbraw/zinc/31/06/60/572310660.db2.gz OBRIQVSFXPBCII-AWEZNQCLSA-N 0 0 546.448 3.271 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O ZINC000408664208 572310657 /nfs/dbraw/zinc/31/06/57/572310657.db2.gz OBRIQVSFXPBCII-CQSZACIVSA-N 0 0 546.448 3.271 40 5 KGBBRN CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(OC)ccc3[N+](=O)[O-])CC2=O)cc1 ZINC000408665240 572311226 /nfs/dbraw/zinc/31/12/26/572311226.db2.gz RBNBKURSPVVDEJ-GOSISDBHSA-N 0 0 527.530 3.485 40 5 KGBBRN CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(OC)ccc3[N+](=O)[O-])CC2=O)cc1 ZINC000408665242 572311241 /nfs/dbraw/zinc/31/12/41/572311241.db2.gz RBNBKURSPVVDEJ-SFHVURJKSA-N 0 0 527.530 3.485 40 5 KGBBRN CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])cc1 ZINC000408666028 572311789 /nfs/dbraw/zinc/31/17/89/572311789.db2.gz NIYLMPFIDUUVIF-UHFFFAOYSA-N 0 0 501.492 3.461 40 5 KGBBRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000408667060 572312414 /nfs/dbraw/zinc/31/24/14/572312414.db2.gz IYICTHGLOZAIJC-KRWDZBQOSA-N 0 0 513.503 3.095 40 5 KGBBRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000408667061 572312411 /nfs/dbraw/zinc/31/24/11/572312411.db2.gz IYICTHGLOZAIJC-QGZVFWFLSA-N 0 0 513.503 3.095 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)CC1=O ZINC000408668136 572313153 /nfs/dbraw/zinc/31/31/53/572313153.db2.gz QXASSMIZNJTQQZ-CDHQVMDDSA-N 0 0 507.499 3.242 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)CC1=O ZINC000408668138 572313131 /nfs/dbraw/zinc/31/31/31/572313131.db2.gz QXASSMIZNJTQQZ-RYGJVYDSSA-N 0 0 507.499 3.242 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)CC1=O ZINC000408668141 572313170 /nfs/dbraw/zinc/31/31/70/572313170.db2.gz QXASSMIZNJTQQZ-XPGWFJOJSA-N 0 0 507.499 3.242 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)CC1=O ZINC000408668142 572313139 /nfs/dbraw/zinc/31/31/39/572313139.db2.gz QXASSMIZNJTQQZ-YSGRDPCXSA-N 0 0 507.499 3.242 40 5 KGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 ZINC000408670283 572314578 /nfs/dbraw/zinc/31/45/78/572314578.db2.gz ZFFMQYGITPTSGN-UHFFFAOYSA-N 0 0 501.492 3.459 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)cc2C)CC1=O ZINC000408671808 572315663 /nfs/dbraw/zinc/31/56/63/572315663.db2.gz UWYXIXDKWFFIKZ-CYBMUJFWSA-N 0 0 506.309 3.209 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)cc2C)CC1=O ZINC000408671811 572315676 /nfs/dbraw/zinc/31/56/76/572315676.db2.gz UWYXIXDKWFFIKZ-ZDUSSCGKSA-N 0 0 506.309 3.209 40 5 KGBBRN COc1ccccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O ZINC000408671872 572315802 /nfs/dbraw/zinc/31/58/02/572315802.db2.gz UIQICRMEIBFLBF-HNNXBMFYSA-N 0 0 501.451 3.363 40 5 KGBBRN COc1ccccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O ZINC000408671874 572315763 /nfs/dbraw/zinc/31/57/63/572315763.db2.gz UIQICRMEIBFLBF-OAHLLOKOSA-N 0 0 501.451 3.363 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)CC1=O ZINC000408672846 572316382 /nfs/dbraw/zinc/31/63/82/572316382.db2.gz XMYHZIJNYKAQGO-CYBMUJFWSA-N 0 0 506.309 3.209 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)CC1=O ZINC000408672847 572316385 /nfs/dbraw/zinc/31/63/85/572316385.db2.gz XMYHZIJNYKAQGO-ZDUSSCGKSA-N 0 0 506.309 3.209 40 5 KGBBRN CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000408673093 572316490 /nfs/dbraw/zinc/31/64/90/572316490.db2.gz YOFMRFVXBQXMME-AWEZNQCLSA-N 0 0 520.336 3.463 40 5 KGBBRN CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000408673095 572316511 /nfs/dbraw/zinc/31/65/11/572316511.db2.gz YOFMRFVXBQXMME-CQSZACIVSA-N 0 0 520.336 3.463 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)cc2)CC1=O ZINC000408673690 572316873 /nfs/dbraw/zinc/31/68/73/572316873.db2.gz XOXRECRTXYOHOK-HDIOYNLWSA-N 0 0 521.526 3.488 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)CC1=O ZINC000408673691 572316863 /nfs/dbraw/zinc/31/68/63/572316863.db2.gz XOXRECRTXYOHOK-IMAQQZIHSA-N 0 0 521.526 3.488 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2)CC1=O ZINC000408673692 572316854 /nfs/dbraw/zinc/31/68/54/572316854.db2.gz XOXRECRTXYOHOK-NBJYBMASSA-N 0 0 521.526 3.488 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)CC1=O ZINC000408673693 572316857 /nfs/dbraw/zinc/31/68/57/572316857.db2.gz XOXRECRTXYOHOK-OBNJBMLMSA-N 0 0 521.526 3.488 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)CC1=O ZINC000408673911 572316928 /nfs/dbraw/zinc/31/69/28/572316928.db2.gz XZWYSYLYTWIKMH-CDHQVMDDSA-N 0 0 507.499 3.242 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)CC1=O ZINC000408673914 572316938 /nfs/dbraw/zinc/31/69/38/572316938.db2.gz XZWYSYLYTWIKMH-RYGJVYDSSA-N 0 0 507.499 3.242 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)CC1=O ZINC000408673916 572316953 /nfs/dbraw/zinc/31/69/53/572316953.db2.gz XZWYSYLYTWIKMH-XPGWFJOJSA-N 0 0 507.499 3.242 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)CC1=O ZINC000408673919 572316926 /nfs/dbraw/zinc/31/69/26/572316926.db2.gz XZWYSYLYTWIKMH-YSGRDPCXSA-N 0 0 507.499 3.242 40 5 KGBBRN O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408673957 572317036 /nfs/dbraw/zinc/31/70/36/572317036.db2.gz YAZFSZXHPAXNRJ-AWEZNQCLSA-N 0 0 516.422 3.262 40 5 KGBBRN O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408673960 572317027 /nfs/dbraw/zinc/31/70/27/572317027.db2.gz YAZFSZXHPAXNRJ-CQSZACIVSA-N 0 0 516.422 3.262 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)CC1=O ZINC000408674057 572317035 /nfs/dbraw/zinc/31/70/35/572317035.db2.gz YHUDCWOFQZNKNZ-CDHQVMDDSA-N 0 0 505.483 3.018 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)CC1=O ZINC000408674059 572317051 /nfs/dbraw/zinc/31/70/51/572317051.db2.gz YHUDCWOFQZNKNZ-RYGJVYDSSA-N 0 0 505.483 3.018 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)CC1=O ZINC000408674060 572317048 /nfs/dbraw/zinc/31/70/48/572317048.db2.gz YHUDCWOFQZNKNZ-XPGWFJOJSA-N 0 0 505.483 3.018 40 5 KGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)CC1=O ZINC000408674062 572317049 /nfs/dbraw/zinc/31/70/49/572317049.db2.gz YHUDCWOFQZNKNZ-YSGRDPCXSA-N 0 0 505.483 3.018 40 5 KGBBRN Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408681999 1059682662 /nfs/dbraw/zinc/68/26/62/1059682662.db2.gz FULVATDYGKRLFZ-ATEVHTGXSA-N 0 0 525.517 3.277 40 5 KGBBRN Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408682004 1059682645 /nfs/dbraw/zinc/68/26/45/1059682645.db2.gz FULVATDYGKRLFZ-LEABRGHYSA-N 0 0 525.517 3.277 40 5 KGBBRN Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408682006 1059682672 /nfs/dbraw/zinc/68/26/72/1059682672.db2.gz FULVATDYGKRLFZ-NBAFEDJBSA-N 0 0 525.517 3.277 40 5 KGBBRN C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408683830 1059679904 /nfs/dbraw/zinc/67/99/04/1059679904.db2.gz NPUXLAPBEPRMJM-JIKSBOAXSA-N 0 0 525.517 3.357 40 5 KGBBRN C[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408683834 1059679962 /nfs/dbraw/zinc/67/99/62/1059679962.db2.gz NPUXLAPBEPRMJM-NZJUZQPCSA-N 0 0 525.517 3.357 40 5 KGBBRN C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408683837 1059679934 /nfs/dbraw/zinc/67/99/34/1059679934.db2.gz NPUXLAPBEPRMJM-QIVAEQKXSA-N 0 0 525.517 3.357 40 5 KGBBRN C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408683839 1059680726 /nfs/dbraw/zinc/68/07/26/1059680726.db2.gz NPUXLAPBEPRMJM-ZYEGKOGWSA-N 0 0 525.517 3.357 40 5 KGBBRN COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408684124 1059673761 /nfs/dbraw/zinc/67/37/61/1059673761.db2.gz MWEOPQOUYGNAEI-UHFFFAOYSA-N 0 0 504.411 3.048 40 5 KGBBRN COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000408688690 1059697598 /nfs/dbraw/zinc/69/75/98/1059697598.db2.gz WROOERYFNZEBFM-UHFFFAOYSA-N 0 0 504.411 3.048 40 5 KGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408689406 1059696591 /nfs/dbraw/zinc/69/65/91/1059696591.db2.gz YXTKAUQGXRFLAH-IJWNJUOGSA-N 0 0 555.543 3.366 40 5 KGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408689407 1059696605 /nfs/dbraw/zinc/69/66/05/1059696605.db2.gz YXTKAUQGXRFLAH-KIXOFYLOSA-N 0 0 555.543 3.366 40 5 KGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408689408 1059696535 /nfs/dbraw/zinc/69/65/35/1059696535.db2.gz YXTKAUQGXRFLAH-LKOBKGDTSA-N 0 0 555.543 3.366 40 5 KGBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408689409 1059697678 /nfs/dbraw/zinc/69/76/78/1059697678.db2.gz YXTKAUQGXRFLAH-NQNGDELMSA-N 0 0 555.543 3.366 40 5 KGBBRN COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000408689664 1059696581 /nfs/dbraw/zinc/69/65/81/1059696581.db2.gz YUBROMQNRIVBHW-UHFFFAOYSA-N 0 0 504.411 3.048 40 5 KGBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000408711190 1059708290 /nfs/dbraw/zinc/70/82/90/1059708290.db2.gz GECPDEPDHYJCCL-UHFFFAOYSA-N 0 0 536.563 3.248 40 5 KGBBRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000408711308 1059708333 /nfs/dbraw/zinc/70/83/33/1059708333.db2.gz GNHIHXXPZWHDDM-UHFFFAOYSA-N 0 0 532.600 3.417 40 5 KGBBRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1OC ZINC000408712217 1059707758 /nfs/dbraw/zinc/70/77/58/1059707758.db2.gz VSSIKPWMJIJRRF-UHFFFAOYSA-N 0 0 570.624 3.298 40 5 KGBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000408712236 1059707571 /nfs/dbraw/zinc/70/75/71/1059707571.db2.gz ZDVFOWIHYBQCSN-UHFFFAOYSA-N 0 0 532.600 3.417 40 5 KGBBRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000408712268 1059707714 /nfs/dbraw/zinc/70/77/14/1059707714.db2.gz FYPLKSLUPUWTCX-UHFFFAOYSA-N 0 0 548.599 3.117 40 5 KGBBRN Cc1c(Nc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3nc2Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000408719143 1059712124 /nfs/dbraw/zinc/71/21/24/1059712124.db2.gz JVOLRDBLTWGPOJ-UHFFFAOYSA-N 0 0 622.602 3.373 40 5 KGBBRN COc1c(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)cc(Br)cc1[N+](=O)[O-] ZINC000408720820 1059711464 /nfs/dbraw/zinc/71/14/64/1059711464.db2.gz DQFKVYUMUJDBRC-BASWHVEKSA-N 0 0 512.139 3.294 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408722908 1059710683 /nfs/dbraw/zinc/71/06/83/1059710683.db2.gz HSTLUIAAXVHWER-WQLLJXGDSA-N 0 0 527.942 3.089 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408722910 1059710787 /nfs/dbraw/zinc/71/07/87/1059710787.db2.gz HSTLUIAAXVHWER-YOGOOIESSA-N 0 0 527.942 3.089 40 5 KGBBRN O=C(CSCc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CSCc2cccc([N+](=O)[O-])c2)CC1 ZINC000408723877 1059710196 /nfs/dbraw/zinc/71/01/96/1059710196.db2.gz XTGYLBBRQNADES-UHFFFAOYSA-N 0 0 504.590 3.340 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408724677 1059710179 /nfs/dbraw/zinc/71/01/79/1059710179.db2.gz AYTWJGGPLBVSAH-PRWBYUBPSA-N 0 0 513.959 3.369 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408724681 1059710158 /nfs/dbraw/zinc/71/01/58/1059710158.db2.gz AYTWJGGPLBVSAH-SRKIZSPNSA-N 0 0 513.959 3.369 40 5 KGBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C\c3ccc([N+](=O)[O-])o3)sc2=N[C@H]1c1ccc(Br)cc1 ZINC000408729121 1059715634 /nfs/dbraw/zinc/71/56/34/1059715634.db2.gz AQMQYNQYBXUYRI-KAPURRDVSA-N 0 0 518.345 3.171 40 5 KGBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C\c3ccc([N+](=O)[O-])o3)sc2=N[C@@H]1c1ccc(Br)cc1 ZINC000408729122 1059715722 /nfs/dbraw/zinc/71/57/22/1059715722.db2.gz AQMQYNQYBXUYRI-SPQRHKFCSA-N 0 0 518.345 3.171 40 5 KGBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cccc(Br)c3)sc2=N[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000408729183 1059715655 /nfs/dbraw/zinc/71/56/55/1059715655.db2.gz AFLRLBGEHPOQEO-BXBOZWQASA-N 0 0 518.345 3.171 40 5 KGBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cccc(Br)c3)sc2=N[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000408729185 1059715597 /nfs/dbraw/zinc/71/55/97/1059715597.db2.gz AFLRLBGEHPOQEO-QWSHFYNQSA-N 0 0 518.345 3.171 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729694 1059715700 /nfs/dbraw/zinc/71/57/00/1059715700.db2.gz IEJZEPYBIVBWJS-QCHPHUCNSA-N 0 0 516.535 3.362 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729695 1059715618 /nfs/dbraw/zinc/71/56/18/1059715618.db2.gz IEJZEPYBIVBWJS-VZIOXZNFSA-N 0 0 516.535 3.362 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729965 1059715055 /nfs/dbraw/zinc/71/50/55/1059715055.db2.gz LWWBLIMJWIHMMV-JUTHHCEFSA-N 0 0 516.535 3.362 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729966 1059715149 /nfs/dbraw/zinc/71/51/49/1059715149.db2.gz LWWBLIMJWIHMMV-VVOOWDFBSA-N 0 0 516.535 3.362 40 5 KGBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3c(O)ccc4ccccc43)sc2=N[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000408731623 1059714616 /nfs/dbraw/zinc/71/46/16/1059714616.db2.gz MLEMNPTXXXFAOG-BHSBJAHRSA-N 0 0 505.508 3.267 40 5 KGBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3c(O)ccc4ccccc43)sc2=N[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000408731624 1059714675 /nfs/dbraw/zinc/71/46/75/1059714675.db2.gz MLEMNPTXXXFAOG-LPRAYXGFSA-N 0 0 505.508 3.267 40 5 KGBBRN COc1ccc(-n2c(=O)c3ccc4c(=O)n(-c5ccc(OC)cc5OC)c(=O)c5ccc(c2=O)c3c45)c(OC)c1 ZINC000408732431 1059714028 /nfs/dbraw/zinc/71/40/28/1059714028.db2.gz RIFVHLIPMSZXEM-UHFFFAOYSA-N 0 0 538.512 3.078 40 5 KGBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Br)cc3)sc2=N[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000408733491 1059712670 /nfs/dbraw/zinc/71/26/70/1059712670.db2.gz YJULVNGCZYNION-BXBOZWQASA-N 0 0 518.345 3.171 40 5 KGBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Br)cc3)sc2=N[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000408733492 1059712742 /nfs/dbraw/zinc/71/27/42/1059712742.db2.gz YJULVNGCZYNION-QWSHFYNQSA-N 0 0 518.345 3.171 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408733835 1059713481 /nfs/dbraw/zinc/71/34/81/1059713481.db2.gz AXBBMSVRFKLWDH-UTWPHBJQSA-N 0 0 581.603 3.233 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408733836 1059713456 /nfs/dbraw/zinc/71/34/56/1059713456.db2.gz AXBBMSVRFKLWDH-VPVLBGOXSA-N 0 0 581.603 3.233 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734855 1059713543 /nfs/dbraw/zinc/71/35/43/1059713543.db2.gz KQJMLJPTCMZNKZ-DUBROFONSA-N 0 0 527.555 3.097 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408734856 1059713248 /nfs/dbraw/zinc/71/32/48/1059713248.db2.gz KQJMLJPTCMZNKZ-QUYTYNJFSA-N 0 0 527.555 3.097 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408737247 1059017015 /nfs/dbraw/zinc/01/70/15/1059017015.db2.gz AZTYXOKSFFSCJT-CVGPFBNFSA-N 0 0 507.568 3.414 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408737248 1059712825 /nfs/dbraw/zinc/71/28/25/1059712825.db2.gz AZTYXOKSFFSCJT-LJJBLSSYSA-N 0 0 507.568 3.414 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1OCC ZINC000408737614 1059717217 /nfs/dbraw/zinc/71/72/17/1059717217.db2.gz DWMVXSVDQSTRCO-MFUBYVTQSA-N 0 0 553.593 3.122 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408737616 1059717236 /nfs/dbraw/zinc/71/72/36/1059717236.db2.gz DWMVXSVDQSTRCO-RWTNITNYSA-N 0 0 553.593 3.122 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2C1 ZINC000408752954 1059719154 /nfs/dbraw/zinc/71/91/54/1059719154.db2.gz MNIUCFHSVHXWOV-NVMNQCDNSA-N 0 0 518.345 3.140 40 5 KGBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408753652 1059719179 /nfs/dbraw/zinc/71/91/79/1059719179.db2.gz HAIQAYBTRZYWBJ-IJKLPWTBSA-N 0 0 561.572 3.454 40 5 KGBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408753654 1059719230 /nfs/dbraw/zinc/71/92/30/1059719230.db2.gz HAIQAYBTRZYWBJ-KQQLFIIESA-N 0 0 561.572 3.454 40 5 KGBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408754105 1059719202 /nfs/dbraw/zinc/71/92/02/1059719202.db2.gz PJYFUBKRVLXPGM-UJWNWPGJSA-N 0 0 531.546 3.445 40 5 KGBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408754108 1059719353 /nfs/dbraw/zinc/71/93/53/1059719353.db2.gz PJYFUBKRVLXPGM-ZTTNJJDWSA-N 0 0 531.546 3.445 40 5 KGBBRN COc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408757399 1059720962 /nfs/dbraw/zinc/72/09/62/1059720962.db2.gz ZMTQHXATUVWAHJ-AUWJEWJLSA-N 0 0 514.335 3.272 40 5 KGBBRN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408761596 1059723025 /nfs/dbraw/zinc/72/30/25/1059723025.db2.gz GUTSPUTYHFIUNI-CIAFOILYSA-N 0 0 509.521 3.141 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408765773 1059020670 /nfs/dbraw/zinc/02/06/70/1059020670.db2.gz BKRYBHCIMAUYNZ-IGSGOFENSA-N 0 0 632.445 3.215 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408765779 1059020714 /nfs/dbraw/zinc/02/07/14/1059020714.db2.gz BKRYBHCIMAUYNZ-YRTOUZDRSA-N 0 0 632.445 3.215 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408765975 1059021263 /nfs/dbraw/zinc/02/12/63/1059021263.db2.gz CFIVPKCIFBQUIO-WNOXZJQASA-N 0 0 618.462 3.495 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408765976 1059721087 /nfs/dbraw/zinc/72/10/87/1059721087.db2.gz CFIVPKCIFBQUIO-YVLHRROSSA-N 0 0 618.462 3.495 40 5 KGBBRN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408766300 1059721043 /nfs/dbraw/zinc/72/10/43/1059721043.db2.gz UDSLGXVNGJFQBY-FYJGNVAPSA-N 0 0 509.521 3.141 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769502 1059726571 /nfs/dbraw/zinc/72/65/71/1059726571.db2.gz NDCPYQUJXJOITC-HSELDNCXSA-N 0 0 588.436 3.486 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769503 1059726695 /nfs/dbraw/zinc/72/66/95/1059726695.db2.gz NDCPYQUJXJOITC-OFHGOEMBSA-N 0 0 588.436 3.486 40 5 KGBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc([N+](=O)[O-])o4)c(=O)n32)c1 ZINC000408769955 1059726676 /nfs/dbraw/zinc/72/66/76/1059726676.db2.gz RBTQURJYBMROAG-CBIIRDDDSA-N 0 0 516.535 3.384 40 5 KGBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc([N+](=O)[O-])o4)c(=O)n32)c1 ZINC000408769956 1059726527 /nfs/dbraw/zinc/72/65/27/1059726527.db2.gz RBTQURJYBMROAG-QFXXMJIKSA-N 0 0 516.535 3.384 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770029 1059723440 /nfs/dbraw/zinc/72/34/40/1059723440.db2.gz RXBRXZNOJYSFNL-HSELDNCXSA-N 0 0 588.436 3.486 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770030 1059723533 /nfs/dbraw/zinc/72/35/33/1059723533.db2.gz RXBRXZNOJYSFNL-OFHGOEMBSA-N 0 0 588.436 3.486 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770467 1059723452 /nfs/dbraw/zinc/72/34/52/1059723452.db2.gz XUWJZASUSJHFCY-MBNKTHEGSA-N 0 0 578.397 3.079 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770468 1059723496 /nfs/dbraw/zinc/72/34/96/1059723496.db2.gz XUWJZASUSJHFCY-WRFQGRBFSA-N 0 0 578.397 3.079 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408789605 1059730134 /nfs/dbraw/zinc/73/01/34/1059730134.db2.gz MWJSZLSFRJNDDR-VLOXRPPESA-N 0 0 525.608 3.437 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408789607 1059730844 /nfs/dbraw/zinc/73/08/44/1059730844.db2.gz MWJSZLSFRJNDDR-WLJFKGHSSA-N 0 0 525.608 3.437 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408821395 1059735076 /nfs/dbraw/zinc/73/50/76/1059735076.db2.gz GYGLQTRZOUKEPE-QJWUKVPRSA-N 0 0 551.577 3.222 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408821396 1059734893 /nfs/dbraw/zinc/73/48/93/1059734893.db2.gz GYGLQTRZOUKEPE-ZYDFGXJWSA-N 0 0 551.577 3.222 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408823644 1059733664 /nfs/dbraw/zinc/73/36/64/1059733664.db2.gz FQWKXAPBUWVQDG-XOYGFPHKSA-N 0 0 507.568 3.494 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408823646 1059733768 /nfs/dbraw/zinc/73/37/68/1059733768.db2.gz FQWKXAPBUWVQDG-YJADQXIJSA-N 0 0 507.568 3.494 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408826054 1059024713 /nfs/dbraw/zinc/02/47/13/1059024713.db2.gz BKUBXWHRVHTPBM-NWKGEQBZSA-N 0 0 523.567 3.032 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408826057 1059024668 /nfs/dbraw/zinc/02/46/68/1059024668.db2.gz BKUBXWHRVHTPBM-YOKWNPFVSA-N 0 0 523.567 3.032 40 5 KGBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408829349 1059740792 /nfs/dbraw/zinc/74/07/92/1059740792.db2.gz PJIZRNQTTHEITO-OVHOFWQVSA-N 0 0 527.864 3.495 40 5 KGBBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408829476 1059740849 /nfs/dbraw/zinc/74/08/49/1059740849.db2.gz PJIZRNQTTHEITO-RCBBPTIPSA-N 0 0 527.864 3.495 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408832969 1059738910 /nfs/dbraw/zinc/73/89/10/1059738910.db2.gz SLLWMKAFSOHGFI-XOYGFPHKSA-N 0 0 507.568 3.494 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408832973 1059738979 /nfs/dbraw/zinc/73/89/79/1059738979.db2.gz SLLWMKAFSOHGFI-YJADQXIJSA-N 0 0 507.568 3.494 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408836046 1059025927 /nfs/dbraw/zinc/02/59/27/1059025927.db2.gz PNUNVZUNQFVFGD-XOYGFPHKSA-N 0 0 507.568 3.494 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408836047 1059026589 /nfs/dbraw/zinc/02/65/89/1059026589.db2.gz PNUNVZUNQFVFGD-YJADQXIJSA-N 0 0 507.568 3.494 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408845940 1059026888 /nfs/dbraw/zinc/02/68/88/1059026888.db2.gz NSRFNYZTVOTTED-CVGPFBNFSA-N 0 0 507.568 3.494 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408845943 1059027047 /nfs/dbraw/zinc/02/70/47/1059027047.db2.gz NSRFNYZTVOTTED-LJJBLSSYSA-N 0 0 507.568 3.494 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408854214 1059744916 /nfs/dbraw/zinc/74/49/16/1059744916.db2.gz ZWJDCRCPQHJTJJ-QJWUKVPRSA-N 0 0 551.577 3.222 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408854215 1059744896 /nfs/dbraw/zinc/74/48/96/1059744896.db2.gz ZWJDCRCPQHJTJJ-ZYDFGXJWSA-N 0 0 551.577 3.222 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408854285 1059744877 /nfs/dbraw/zinc/74/48/77/1059744877.db2.gz BOFNVCPBLCFKIW-CVGPFBNFSA-N 0 0 507.568 3.494 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408854286 1059027874 /nfs/dbraw/zinc/02/78/74/1059027874.db2.gz BOFNVCPBLCFKIW-LJJBLSSYSA-N 0 0 507.568 3.494 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408855881 1059743416 /nfs/dbraw/zinc/74/34/16/1059743416.db2.gz OOFDHGLCBOZMLP-CMISJSSVSA-N 0 0 592.674 3.330 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408855884 1059743363 /nfs/dbraw/zinc/74/33/63/1059743363.db2.gz OOFDHGLCBOZMLP-DBXPASCUSA-N 0 0 592.674 3.330 40 5 KGBBRN COc1cc(/C=C2\SC(=N)NC2=O)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408889815 1059753669 /nfs/dbraw/zinc/75/36/69/1059753669.db2.gz JJFAEZPHTRNTRC-ZSOIEALJSA-N 0 0 561.335 3.114 40 5 KGBBRN COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408892197 1059752719 /nfs/dbraw/zinc/75/27/19/1059752719.db2.gz XTTAIQAQJDKOTF-MOSHPQCFSA-N 0 0 509.521 3.141 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408905668 1059754741 /nfs/dbraw/zinc/75/47/41/1059754741.db2.gz CBVCUIWFSALZFV-XOYGFPHKSA-N 0 0 553.593 3.122 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408905669 1059754628 /nfs/dbraw/zinc/75/46/28/1059754628.db2.gz CBVCUIWFSALZFV-YJADQXIJSA-N 0 0 553.593 3.122 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408905813 1059754162 /nfs/dbraw/zinc/75/41/62/1059754162.db2.gz FCSBJDGUVAWEQK-XOYGFPHKSA-N 0 0 537.594 3.422 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408905814 1059754121 /nfs/dbraw/zinc/75/41/21/1059754121.db2.gz FCSBJDGUVAWEQK-YJADQXIJSA-N 0 0 537.594 3.422 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408905969 1059754187 /nfs/dbraw/zinc/75/41/87/1059754187.db2.gz GSRCNZPOVNNUOP-JGTYQCAFSA-N 0 0 583.619 3.131 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408905971 1059754073 /nfs/dbraw/zinc/75/40/73/1059754073.db2.gz GSRCNZPOVNNUOP-LYRGBEMXSA-N 0 0 583.619 3.131 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408913356 1059758606 /nfs/dbraw/zinc/75/86/06/1059758606.db2.gz SZDLQXGSLYQVOX-FGGAIWKESA-N 0 0 523.567 3.114 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408913358 1059758750 /nfs/dbraw/zinc/75/87/50/1059758750.db2.gz SZDLQXGSLYQVOX-VOSMRYOYSA-N 0 0 523.567 3.114 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408913360 1059031073 /nfs/dbraw/zinc/03/10/73/1059031073.db2.gz SZTASKDVSJWXQY-FGGAIWKESA-N 0 0 523.567 3.114 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408913363 1059758549 /nfs/dbraw/zinc/75/85/49/1059758549.db2.gz SZTASKDVSJWXQY-VOSMRYOYSA-N 0 0 523.567 3.114 40 5 KGBBRN COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408914250 1059758734 /nfs/dbraw/zinc/75/87/34/1059758734.db2.gz OYPYJVPMPHKRME-UHFFFAOYSA-N 0 0 501.517 3.455 40 5 KGBBRN COc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000408926648 1059760024 /nfs/dbraw/zinc/76/00/24/1059760024.db2.gz VPJABXQZLSVBIE-UHFFFAOYSA-N 0 0 535.600 3.450 40 5 KGBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OC)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408932659 1059769171 /nfs/dbraw/zinc/76/91/71/1059769171.db2.gz DHNWAVDNCPKJCY-PBDXZUMESA-N 0 0 665.462 3.337 40 5 KGBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OC)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408932660 1059769037 /nfs/dbraw/zinc/76/90/37/1059769037.db2.gz DHNWAVDNCPKJCY-ZXJHQIPZSA-N 0 0 665.462 3.337 40 5 KGBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Cl)c(=O)n32)cc1OCC ZINC000408933088 1059034047 /nfs/dbraw/zinc/03/40/47/1059034047.db2.gz HJCVZSLIRWFFRH-BYUJNSPJSA-N 0 0 543.985 3.377 40 5 KGBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Cl)c(=O)n32)cc1OCC ZINC000408933089 1059768405 /nfs/dbraw/zinc/76/84/05/1059768405.db2.gz HJCVZSLIRWFFRH-ZAAFRKLLSA-N 0 0 543.985 3.377 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408934399 1059004202 /nfs/dbraw/zinc/00/42/02/1059004202.db2.gz CMABBLCUWLVFJG-ABBNRAPFSA-N 0 0 592.674 3.330 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408934401 1059004130 /nfs/dbraw/zinc/00/41/30/1059004130.db2.gz CMABBLCUWLVFJG-CSJROMOCSA-N 0 0 592.674 3.330 40 5 KGBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(Cl)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408941365 1059036586 /nfs/dbraw/zinc/03/65/86/1059036586.db2.gz VQJVLMUENOQFTH-PBDXZUMESA-N 0 0 543.985 3.377 40 5 KGBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(Cl)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408941370 1059036879 /nfs/dbraw/zinc/03/68/79/1059036879.db2.gz VQJVLMUENOQFTH-ZXJHQIPZSA-N 0 0 543.985 3.377 40 5 KGBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OC)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408941575 1059037017 /nfs/dbraw/zinc/03/70/17/1059037017.db2.gz WFEQSBHJAMGTIO-PBDXZUMESA-N 0 0 618.462 3.495 40 5 KGBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OC)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408941578 1059778560 /nfs/dbraw/zinc/77/85/60/1059778560.db2.gz WFEQSBHJAMGTIO-ZXJHQIPZSA-N 0 0 618.462 3.495 40 5 KGBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(C)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408943094 1059776635 /nfs/dbraw/zinc/77/66/35/1059776635.db2.gz XZAGXZQZFHTDHW-HIFDDZRDSA-N 0 0 523.567 3.032 40 5 KGBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(C)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408943098 1059038254 /nfs/dbraw/zinc/03/82/54/1059038254.db2.gz XZAGXZQZFHTDHW-TYBHGIAWSA-N 0 0 523.567 3.032 40 5 KGBBRN CCOC(=O)COc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1[N+](=O)[O-] ZINC000408954417 1059793218 /nfs/dbraw/zinc/79/32/18/1059793218.db2.gz WXDHRXXJFAGYPO-RLGZEVEKSA-N 0 0 690.525 3.428 40 5 KGBBRN CCOC(=O)COc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1[N+](=O)[O-] ZINC000408954421 1059793103 /nfs/dbraw/zinc/79/31/03/1059793103.db2.gz WXDHRXXJFAGYPO-WLPTYJMBSA-N 0 0 690.525 3.428 40 5 KGBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n21 ZINC000408959114 1059798889 /nfs/dbraw/zinc/79/88/89/1059798889.db2.gz YIFSPJMZDOJSEH-PLMLNFJUSA-N 0 0 562.398 3.459 40 5 KGBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n21 ZINC000408959115 1059042274 /nfs/dbraw/zinc/04/22/74/1059042274.db2.gz YIFSPJMZDOJSEH-PSXSOWLISA-N 0 0 562.398 3.459 40 5 KGBBRN CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc([N+](=O)[O-])cc1OC ZINC000408970595 1059045320 /nfs/dbraw/zinc/04/53/20/1059045320.db2.gz JALYPAGROCIXLC-XSZPGNIMSA-N 0 0 627.672 3.148 40 5 KGBBRN CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc([N+](=O)[O-])cc1OC ZINC000408970596 1059045050 /nfs/dbraw/zinc/04/50/50/1059045050.db2.gz JALYPAGROCIXLC-XXMKCSCWSA-N 0 0 627.672 3.148 40 5 KGBBRN CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)n21 ZINC000408970737 1059804665 /nfs/dbraw/zinc/80/46/65/1059804665.db2.gz CTXYVZLCYQKHEB-XOYGFPHKSA-N 0 0 588.038 3.394 40 5 KGBBRN CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)n21 ZINC000408970738 1059804702 /nfs/dbraw/zinc/80/47/02/1059804702.db2.gz CTXYVZLCYQKHEB-YJADQXIJSA-N 0 0 588.038 3.394 40 5 KGBBRN CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000408971910 1059044531 /nfs/dbraw/zinc/04/45/31/1059044531.db2.gz LUBRKTHKSLKGSH-OWXSRONMSA-N 0 0 597.646 3.139 40 5 KGBBRN CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000408971911 1059044604 /nfs/dbraw/zinc/04/46/04/1059044604.db2.gz LUBRKTHKSLKGSH-ZMIGGIFCSA-N 0 0 597.646 3.139 40 5 KGBBRN CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(C)c([N+](=O)[O-])c3)c(=O)n21 ZINC000408974116 1059802306 /nfs/dbraw/zinc/80/23/06/1059802306.db2.gz XJHCHPGJLOHBHM-NLZIUFDSSA-N 0 0 567.620 3.049 40 5 KGBBRN CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(C)c([N+](=O)[O-])c3)c(=O)n21 ZINC000408974117 1059802655 /nfs/dbraw/zinc/80/26/55/1059802655.db2.gz XJHCHPGJLOHBHM-WLGHQHAYSA-N 0 0 567.620 3.049 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408981847 1059045752 /nfs/dbraw/zinc/04/57/52/1059045752.db2.gz CHLXRQPAFVYYIM-QCHPHUCNSA-N 0 0 523.567 3.114 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408981849 1059809492 /nfs/dbraw/zinc/80/94/92/1059809492.db2.gz CHLXRQPAFVYYIM-VZIOXZNFSA-N 0 0 523.567 3.114 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408987530 1059046111 /nfs/dbraw/zinc/04/61/11/1059046111.db2.gz OZJLAODXKLFMFT-QCHPHUCNSA-N 0 0 523.567 3.114 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408987533 1059812052 /nfs/dbraw/zinc/81/20/52/1059812052.db2.gz OZJLAODXKLFMFT-VZIOXZNFSA-N 0 0 523.567 3.114 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N(C)C)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408995868 1059046508 /nfs/dbraw/zinc/04/65/08/1059046508.db2.gz BSFYETDYYWPYMG-VLOXRPPESA-N 0 0 527.002 3.426 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N(C)C)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408995869 1059812820 /nfs/dbraw/zinc/81/28/20/1059812820.db2.gz BSFYETDYYWPYMG-WLJFKGHSSA-N 0 0 527.002 3.426 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N(C)C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408995872 1059812794 /nfs/dbraw/zinc/81/27/94/1059812794.db2.gz FKQQYPZFABADRE-NLZIUFDSSA-N 0 0 536.610 3.171 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N(C)C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408995875 1059812641 /nfs/dbraw/zinc/81/26/41/1059812641.db2.gz FKQQYPZFABADRE-WLGHQHAYSA-N 0 0 536.610 3.171 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408996435 1059812232 /nfs/dbraw/zinc/81/22/32/1059812232.db2.gz DSNZAFWAGAFYDP-NLZIUFDSSA-N 0 0 569.039 3.197 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408996436 1059812135 /nfs/dbraw/zinc/81/21/35/1059812135.db2.gz DSNZAFWAGAFYDP-WLGHQHAYSA-N 0 0 569.039 3.197 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N(C)C)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000409002454 1059813581 /nfs/dbraw/zinc/81/35/81/1059813581.db2.gz UXIQRXGPACDZCS-XOYGFPHKSA-N 0 0 506.584 3.081 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N(C)C)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000409002455 1059813523 /nfs/dbraw/zinc/81/35/23/1059813523.db2.gz UXIQRXGPACDZCS-YJADQXIJSA-N 0 0 506.584 3.081 40 5 KGBBRN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n21 ZINC000409011231 1059819102 /nfs/dbraw/zinc/81/91/02/1059819102.db2.gz FJAPVGHPQZYEHA-GOOXQAOHSA-N 0 0 567.620 3.130 40 5 KGBBRN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n21 ZINC000409011235 1059819320 /nfs/dbraw/zinc/81/93/20/1059819320.db2.gz FJAPVGHPQZYEHA-KZVLXBEFSA-N 0 0 567.620 3.130 40 5 KGBBRN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n21 ZINC000409012070 1059817827 /nfs/dbraw/zinc/81/78/27/1059817827.db2.gz HLAMNQHDAREPFV-GOOXQAOHSA-N 0 0 567.620 3.130 40 5 KGBBRN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n21 ZINC000409012073 1059047702 /nfs/dbraw/zinc/04/77/02/1059047702.db2.gz HLAMNQHDAREPFV-KZVLXBEFSA-N 0 0 567.620 3.130 40 5 KGBBRN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000409012502 1059818020 /nfs/dbraw/zinc/81/80/20/1059818020.db2.gz IKMYXMPBMKWOTK-XSZPGNIMSA-N 0 0 567.620 3.129 40 5 KGBBRN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000409012503 1059047657 /nfs/dbraw/zinc/04/76/57/1059047657.db2.gz IKMYXMPBMKWOTK-XXMKCSCWSA-N 0 0 567.620 3.129 40 5 KGBBRN CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409014593 1059816299 /nfs/dbraw/zinc/81/62/99/1059816299.db2.gz NDNIGFWNUHYZGZ-OWXSRONMSA-N 0 0 567.620 3.130 40 5 KGBBRN CCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409014595 1059816781 /nfs/dbraw/zinc/81/67/81/1059816781.db2.gz NDNIGFWNUHYZGZ-ZMIGGIFCSA-N 0 0 567.620 3.130 40 5 KGBBRN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000409015188 1059816059 /nfs/dbraw/zinc/81/60/59/1059816059.db2.gz OESYPDIFCOQEFR-NLZIUFDSSA-N 0 0 537.594 3.120 40 5 KGBBRN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000409015191 1059816331 /nfs/dbraw/zinc/81/63/31/1059816331.db2.gz OESYPDIFCOQEFR-WLGHQHAYSA-N 0 0 537.594 3.120 40 5 KGBBRN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000409016634 1059048472 /nfs/dbraw/zinc/04/84/72/1059048472.db2.gz QYKKKNSCXLAGNK-NLZIUFDSSA-N 0 0 537.594 3.120 40 5 KGBBRN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000409016635 1059048564 /nfs/dbraw/zinc/04/85/64/1059048564.db2.gz QYKKKNSCXLAGNK-WLGHQHAYSA-N 0 0 537.594 3.120 40 5 KGBBRN CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n21 ZINC000409019252 1059825031 /nfs/dbraw/zinc/82/50/31/1059825031.db2.gz WEZJJTFEHUVYBP-GOOXQAOHSA-N 0 0 537.594 3.122 40 5 KGBBRN CCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n21 ZINC000409019255 1059825067 /nfs/dbraw/zinc/82/50/67/1059825067.db2.gz WEZJJTFEHUVYBP-KZVLXBEFSA-N 0 0 537.594 3.122 40 5 KGBBRN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409019833 1059824126 /nfs/dbraw/zinc/82/41/26/1059824126.db2.gz XSLRIDCNJBPOSF-OWXSRONMSA-N 0 0 597.646 3.139 40 5 KGBBRN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409019834 1059049280 /nfs/dbraw/zinc/04/92/80/1059049280.db2.gz XSLRIDCNJBPOSF-ZMIGGIFCSA-N 0 0 597.646 3.139 40 5 KGBBRN CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n21 ZINC000409020083 1059823687 /nfs/dbraw/zinc/82/36/87/1059823687.db2.gz ZCNHTZXMVYCJHO-GOOXQAOHSA-N 0 0 537.594 3.122 40 5 KGBBRN CCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n21 ZINC000409020084 1059823580 /nfs/dbraw/zinc/82/35/80/1059823580.db2.gz ZCNHTZXMVYCJHO-KZVLXBEFSA-N 0 0 537.594 3.122 40 5 KGBBRN COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409026478 1059820261 /nfs/dbraw/zinc/82/02/61/1059820261.db2.gz QISOJOKGFLOYCC-UHFFFAOYSA-N 0 0 529.527 3.217 40 5 KGBBRN COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409027322 1059837523 /nfs/dbraw/zinc/83/75/23/1059837523.db2.gz AEBLOXRKIBQIAR-UHFFFAOYSA-N 0 0 516.488 3.354 40 5 KGBBRN COc1ccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409027505 1059837440 /nfs/dbraw/zinc/83/74/40/1059837440.db2.gz DCTVSCINPQAOGY-UHFFFAOYSA-N 0 0 582.635 3.180 40 5 KGBBRN CCOC(=O)COc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000409030763 1059834665 /nfs/dbraw/zinc/83/46/65/1059834665.db2.gz FORMCPPYVYSMPC-KKCNHZNWSA-N 0 0 762.588 3.361 40 5 KGBBRN CCOC(=O)COc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000409030768 1059834764 /nfs/dbraw/zinc/83/47/64/1059834764.db2.gz FORMCPPYVYSMPC-WDFUUOLCSA-N 0 0 762.588 3.361 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409031526 1059833901 /nfs/dbraw/zinc/83/39/01/1059833901.db2.gz GZWNVHJKWRKVSC-GOWBIRFASA-N 0 0 690.525 3.428 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409031528 1059834051 /nfs/dbraw/zinc/83/40/51/1059834051.db2.gz GZWNVHJKWRKVSC-VCDQAHEJSA-N 0 0 690.525 3.428 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033987 1059830742 /nfs/dbraw/zinc/83/07/42/1059830742.db2.gz GGQPDRDDFMIJTB-BHSBJAHRSA-N 0 0 527.555 3.095 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033989 1059830828 /nfs/dbraw/zinc/83/08/28/1059830828.db2.gz GGQPDRDDFMIJTB-LPRAYXGFSA-N 0 0 527.555 3.095 40 5 KGBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c(OC)c([N+](=O)[O-])c3)sc2=N1 ZINC000409034593 1059830359 /nfs/dbraw/zinc/83/03/59/1059830359.db2.gz OGYANKJBMVNBBR-JKALPCAWSA-N 0 0 605.410 3.320 40 5 KGBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c(OC)c([N+](=O)[O-])c3)sc2=N1 ZINC000409034597 1059830382 /nfs/dbraw/zinc/83/03/82/1059830382.db2.gz OGYANKJBMVNBBR-SQWSFHKJSA-N 0 0 605.410 3.320 40 5 KGBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n32)cc1 ZINC000409036482 1059827952 /nfs/dbraw/zinc/82/79/52/1059827952.db2.gz LITXEUDJDKARQR-PMPAQKPWSA-N 0 0 551.577 3.222 40 5 KGBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n32)cc1 ZINC000409036486 1059827522 /nfs/dbraw/zinc/82/75/22/1059827522.db2.gz LITXEUDJDKARQR-SPVXFMEISA-N 0 0 551.577 3.222 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036704 1059827407 /nfs/dbraw/zinc/82/74/07/1059827407.db2.gz LPPPQBAICXAHHZ-GOWBIRFASA-N 0 0 616.048 3.310 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036705 1059827387 /nfs/dbraw/zinc/82/73/87/1059827387.db2.gz LPPPQBAICXAHHZ-VCDQAHEJSA-N 0 0 616.048 3.310 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039689 1059845417 /nfs/dbraw/zinc/84/54/17/1059845417.db2.gz XFOYNBIYWJUECG-FLWFWKMMSA-N 0 0 581.603 3.231 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409039693 1059052101 /nfs/dbraw/zinc/05/21/01/1059052101.db2.gz XFOYNBIYWJUECG-HGKWLZTNSA-N 0 0 581.603 3.231 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Cl)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409040981 1059844030 /nfs/dbraw/zinc/84/40/30/1059844030.db2.gz ZKPFGGUUBFAHCH-AOLPSBPOSA-N 0 0 616.048 3.310 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Cl)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409040983 1059844005 /nfs/dbraw/zinc/84/40/05/1059844005.db2.gz ZKPFGGUUBFAHCH-QDNAUZDWSA-N 0 0 616.048 3.310 40 5 KGBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4N4CCOCC4)c(=O)n32)cc1 ZINC000409042043 1059843544 /nfs/dbraw/zinc/84/35/44/1059843544.db2.gz BBNVONUSQOAVLQ-ABBNRAPFSA-N 0 0 592.674 3.330 40 5 KGBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4N4CCOCC4)c(=O)n32)cc1 ZINC000409042045 1059843603 /nfs/dbraw/zinc/84/36/03/1059843603.db2.gz BBNVONUSQOAVLQ-CSJROMOCSA-N 0 0 592.674 3.330 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409043789 1059841262 /nfs/dbraw/zinc/84/12/62/1059841262.db2.gz FMPHHAFUVKMZLJ-ASZNLBCTSA-N 0 0 622.700 3.339 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409043827 1059841203 /nfs/dbraw/zinc/84/12/03/1059841203.db2.gz FMPHHAFUVKMZLJ-YNMQQHPQSA-N 0 0 622.700 3.339 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409049706 1059055513 /nfs/dbraw/zinc/05/55/13/1059055513.db2.gz ZQIVJOIBAGAHFL-ASZNLBCTSA-N 0 0 622.700 3.339 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409049707 1059850178 /nfs/dbraw/zinc/85/01/78/1059850178.db2.gz ZQIVJOIBAGAHFL-YNMQQHPQSA-N 0 0 622.700 3.339 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409050685 1059055443 /nfs/dbraw/zinc/05/54/43/1059055443.db2.gz YNOGDEQCIYGNOQ-GOWBIRFASA-N 0 0 737.525 3.270 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409050686 195500513 /nfs/dbraw/zinc/50/05/13/195500513.db2.gz YNOGDEQCIYGNOQ-VCDQAHEJSA-N 0 0 737.525 3.270 40 5 KGBBRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409067712 1059859210 /nfs/dbraw/zinc/85/92/10/1059859210.db2.gz ZBAFXHJLYQLPLN-UUYOSTAYSA-N 0 0 502.508 3.391 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409076481 1059856078 /nfs/dbraw/zinc/85/60/78/1059856078.db2.gz AEAIBQZTBWIKKF-MRCZTLKWSA-N 0 0 558.410 3.478 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409076483 1059056217 /nfs/dbraw/zinc/05/62/17/1059056217.db2.gz AEAIBQZTBWIKKF-ZNQKWNQWSA-N 0 0 558.410 3.478 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409077797 1059860431 /nfs/dbraw/zinc/86/04/31/1059860431.db2.gz GFSKPFRHNKWXBP-JGZDWKDESA-N 0 0 588.436 3.486 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409077800 1059860313 /nfs/dbraw/zinc/86/03/13/1059860313.db2.gz GFSKPFRHNKWXBP-WYWXSHKMSA-N 0 0 588.436 3.486 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409079651 1059859786 /nfs/dbraw/zinc/85/97/86/1059859786.db2.gz LJCVJMOHDBHZFV-OUQXZNHLSA-N 0 0 548.371 3.071 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409079653 1059859560 /nfs/dbraw/zinc/85/95/60/1059859560.db2.gz LJCVJMOHDBHZFV-XLCPLWEUSA-N 0 0 548.371 3.071 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409082378 1059863317 /nfs/dbraw/zinc/86/33/17/1059863317.db2.gz SJCZQTJKFUNAEH-IYMWYRQMSA-N 0 0 618.462 3.495 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409082383 1059863062 /nfs/dbraw/zinc/86/30/62/1059863062.db2.gz SJCZQTJKFUNAEH-VMOHIOPYSA-N 0 0 618.462 3.495 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409083406 1059862500 /nfs/dbraw/zinc/86/25/00/1059862500.db2.gz VGYCZLHSVAOPPO-HMEHKCSNSA-N 0 0 602.419 3.206 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409083407 1059862762 /nfs/dbraw/zinc/86/27/62/1059862762.db2.gz VGYCZLHSVAOPPO-QVFHAIOXSA-N 0 0 602.419 3.206 40 5 KGBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc([N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000409083862 1059861977 /nfs/dbraw/zinc/86/19/77/1059861977.db2.gz OTJWMOJAKZNGTR-POEBIKTISA-N 0 0 516.535 3.384 40 5 KGBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc([N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000409083865 1059862003 /nfs/dbraw/zinc/86/20/03/1059862003.db2.gz OTJWMOJAKZNGTR-YSSBIZNGSA-N 0 0 516.535 3.384 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409084053 1059862095 /nfs/dbraw/zinc/86/20/95/1059862095.db2.gz WGYYOPKTJUYREM-MRCZTLKWSA-N 0 0 558.410 3.478 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409084055 1059862068 /nfs/dbraw/zinc/86/20/68/1059862068.db2.gz WGYYOPKTJUYREM-ZNQKWNQWSA-N 0 0 558.410 3.478 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409085404 1059861318 /nfs/dbraw/zinc/86/13/18/1059861318.db2.gz CYWJODCNSYVUSN-KIHONOKQSA-N 0 0 555.012 3.394 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409085414 1059861560 /nfs/dbraw/zinc/86/15/60/1059861560.db2.gz CYWJODCNSYVUSN-YLVTVWEBSA-N 0 0 555.012 3.394 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409085721 1059860976 /nfs/dbraw/zinc/86/09/76/1059860976.db2.gz ZTDYAJRCIDQJRV-MZPCATCRSA-N 0 0 592.424 3.469 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409085723 1059861442 /nfs/dbraw/zinc/86/14/42/1059861442.db2.gz ZTDYAJRCIDQJRV-RXPRDNMRSA-N 0 0 592.424 3.469 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409086144 1059057459 /nfs/dbraw/zinc/05/74/59/1059057459.db2.gz FVFLUXNABVAJFS-JDCXBEBJSA-N 0 0 506.584 3.020 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409086145 1059860848 /nfs/dbraw/zinc/86/08/48/1059860848.db2.gz FVFLUXNABVAJFS-QFVBLGFASA-N 0 0 506.584 3.020 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(OC)c3OC)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409086777 1059860791 /nfs/dbraw/zinc/86/07/91/1059860791.db2.gz HAAMSEGQYMCXSA-IGSWSUAKSA-N 0 0 566.636 3.038 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(OC)c3OC)c(=O)n2[C@H]1c1ccccc1OC ZINC000409086782 1059860883 /nfs/dbraw/zinc/86/08/83/1059860883.db2.gz HAAMSEGQYMCXSA-YMSBRDKKSA-N 0 0 566.636 3.038 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409092447 1059868193 /nfs/dbraw/zinc/86/81/93/1059868193.db2.gz YIERIVDOMGZESL-CBYYHRJHSA-N 0 0 550.637 3.337 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409092448 1059868047 /nfs/dbraw/zinc/86/80/47/1059868047.db2.gz YIERIVDOMGZESL-PNZYDNNZSA-N 0 0 550.637 3.337 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(OC)c3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409093550 1059867680 /nfs/dbraw/zinc/86/76/80/1059867680.db2.gz AGZOQFOUBQWSQP-PLQXQRLBSA-N 0 0 596.662 3.046 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(OC)c3OC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409093552 1059867487 /nfs/dbraw/zinc/86/74/87/1059867487.db2.gz AGZOQFOUBQWSQP-VVNKCDPRSA-N 0 0 596.662 3.046 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409095170 1059865588 /nfs/dbraw/zinc/86/55/88/1059865588.db2.gz HFBBQLGFPDNHFX-DLBLZJNESA-N 0 0 520.611 3.329 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409095171 1059865781 /nfs/dbraw/zinc/86/57/81/1059865781.db2.gz HFBBQLGFPDNHFX-FCKOQQNDSA-N 0 0 520.611 3.329 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409097937 1059873083 /nfs/dbraw/zinc/87/30/83/1059873083.db2.gz MWQFQLUKISCJQV-MGSPXPDISA-N 0 0 536.610 3.029 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409097942 1059873241 /nfs/dbraw/zinc/87/32/41/1059873241.db2.gz MWQFQLUKISCJQV-XPCGLTFESA-N 0 0 536.610 3.029 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409100675 1059871402 /nfs/dbraw/zinc/87/14/02/1059871402.db2.gz WDJUBGWQWNSNTB-KGONEIDKSA-N 0 0 633.664 3.390 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409100680 1059871212 /nfs/dbraw/zinc/87/12/12/1059871212.db2.gz WDJUBGWQWNSNTB-LWRBDHNKSA-N 0 0 633.664 3.390 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409100867 1059870863 /nfs/dbraw/zinc/87/08/63/1059870863.db2.gz XCYPLKYEXVEJKB-JDCXBEBJSA-N 0 0 506.584 3.020 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409100870 1059870669 /nfs/dbraw/zinc/87/06/69/1059870669.db2.gz XCYPLKYEXVEJKB-QFVBLGFASA-N 0 0 506.584 3.020 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409101601 1059870255 /nfs/dbraw/zinc/87/02/55/1059870255.db2.gz PTRQZINAHMVZPP-WRQIZBEHSA-N 0 0 633.664 3.390 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409101605 1059870618 /nfs/dbraw/zinc/87/06/18/1059870618.db2.gz PTRQZINAHMVZPP-YENNPUADSA-N 0 0 633.664 3.390 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409101906 1059870180 /nfs/dbraw/zinc/87/01/80/1059870180.db2.gz BXCHXVKRIKUYMN-KEWOFRHOSA-N 0 0 500.964 3.258 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409101910 1059870031 /nfs/dbraw/zinc/87/00/31/1059870031.db2.gz BXCHXVKRIKUYMN-KZFLWGQDSA-N 0 0 500.964 3.258 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409102078 1059869415 /nfs/dbraw/zinc/86/94/15/1059869415.db2.gz CJZLZEKVZBSREG-NLZIUFDSSA-N 0 0 536.610 3.029 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409102081 1059870155 /nfs/dbraw/zinc/87/01/55/1059870155.db2.gz CJZLZEKVZBSREG-WLGHQHAYSA-N 0 0 536.610 3.029 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409102998 1059877566 /nfs/dbraw/zinc/87/75/66/1059877566.db2.gz CHFATMPFWCBEQX-AQIZGWBQSA-N 0 0 566.636 3.038 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409103000 1059877816 /nfs/dbraw/zinc/87/78/16/1059877816.db2.gz CHFATMPFWCBEQX-ZDGAQAAHSA-N 0 0 566.636 3.038 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409104575 1059877062 /nfs/dbraw/zinc/87/70/62/1059877062.db2.gz JVVDKBHDZDRELH-SEXPAEGTSA-N 0 0 603.638 3.376 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409104578 1059877028 /nfs/dbraw/zinc/87/70/28/1059877028.db2.gz JVVDKBHDZDRELH-XOBACGFXSA-N 0 0 603.638 3.376 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409105011 1059875946 /nfs/dbraw/zinc/87/59/46/1059875946.db2.gz HPHDCFOZPHBHPR-JGTYQCAFSA-N 0 0 603.638 3.376 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409105012 1059876100 /nfs/dbraw/zinc/87/61/00/1059876100.db2.gz HPHDCFOZPHBHPR-LYRGBEMXSA-N 0 0 603.638 3.376 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409107542 1059883920 /nfs/dbraw/zinc/88/39/20/1059883920.db2.gz RWSHKSDDHCNJQI-MGSPXPDISA-N 0 0 536.610 3.029 40 5 KGBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409107552 1059058836 /nfs/dbraw/zinc/05/88/36/1059058836.db2.gz RWSHKSDDHCNJQI-XPCGLTFESA-N 0 0 536.610 3.029 40 5 KGBBRN CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(I)cc1 ZINC000409124251 1059888909 /nfs/dbraw/zinc/88/89/09/1059888909.db2.gz ATBYTRGXEKKDLJ-UHFFFAOYSA-N 0 0 566.381 3.472 40 5 KGBBRN COc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c([N+](=O)[O-])c1 ZINC000409124773 1059888883 /nfs/dbraw/zinc/88/88/83/1059888883.db2.gz BRPLZTFDIGYJBP-FQEVSTJZSA-N 0 0 543.562 3.498 40 5 KGBBRN COc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c([N+](=O)[O-])c1 ZINC000409125038 1059888070 /nfs/dbraw/zinc/88/80/70/1059888070.db2.gz BRPLZTFDIGYJBP-HXUWFJFHSA-N 0 0 543.562 3.498 40 5 KGBBRN COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409125093 1059888840 /nfs/dbraw/zinc/88/88/40/1059888840.db2.gz BZNJTVFERYTQAS-UHFFFAOYSA-N 0 0 546.514 3.363 40 5 KGBBRN Cc1cc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)ccc1Br ZINC000409125486 1059888384 /nfs/dbraw/zinc/88/83/84/1059888384.db2.gz FSJGQPVCRBAZDN-UHFFFAOYSA-N 0 0 519.381 3.455 40 5 KGBBRN CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000409125722 1059888358 /nfs/dbraw/zinc/88/83/58/1059888358.db2.gz JZOMLIQMSIRAON-UHFFFAOYSA-N 0 0 526.575 3.432 40 5 KGBBRN Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000409126757 1059887613 /nfs/dbraw/zinc/88/76/13/1059887613.db2.gz FYQKESYAYZICPT-UHFFFAOYSA-N 0 0 554.570 3.416 40 5 KGBBRN COC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1 ZINC000409128837 1059891364 /nfs/dbraw/zinc/89/13/64/1059891364.db2.gz ULXLHIZYECHXTR-FQEVSTJZSA-N 0 0 526.575 3.368 40 5 KGBBRN COC(=O)c1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1 ZINC000409128840 1059891174 /nfs/dbraw/zinc/89/11/74/1059891174.db2.gz ULXLHIZYECHXTR-HXUWFJFHSA-N 0 0 526.575 3.368 40 5 KGBBRN COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000409130742 1059060172 /nfs/dbraw/zinc/06/01/72/1059060172.db2.gz UPJPVRWDIMXPPD-UHFFFAOYSA-N 0 0 501.517 3.455 40 5 KGBBRN Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000409132759 1059007186 /nfs/dbraw/zinc/00/71/86/1059007186.db2.gz KTMOFDCOYRPFPW-UHFFFAOYSA-N 0 0 505.354 3.147 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 ZINC000409133647 1059889874 /nfs/dbraw/zinc/88/98/74/1059889874.db2.gz MUAXPSBYFHMHKV-UHFFFAOYSA-N 0 0 501.517 3.455 40 5 KGBBRN Cc1cc(I)ccc1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000409134153 1059890056 /nfs/dbraw/zinc/89/00/56/1059890056.db2.gz NKGFAKMPEGDPPM-UHFFFAOYSA-N 0 0 566.381 3.297 40 5 KGBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000409135806 1059889327 /nfs/dbraw/zinc/88/93/27/1059889327.db2.gz QSHBUOITJIAUPV-IBGZPJMESA-N 0 0 513.536 3.489 40 5 KGBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000409135813 1059890119 /nfs/dbraw/zinc/89/01/19/1059890119.db2.gz QSHBUOITJIAUPV-LJQANCHMSA-N 0 0 513.536 3.489 40 5 KGBBRN COc1ccc(N(CC(=O)Nc2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409136173 1059889417 /nfs/dbraw/zinc/88/94/17/1059889417.db2.gz TZUYLNICDYLZAP-UHFFFAOYSA-N 0 0 528.543 3.404 40 5 KGBBRN CCCOC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2CC)c1 ZINC000409136497 1059889464 /nfs/dbraw/zinc/88/94/64/1059889464.db2.gz WXBASVCVAPEQBN-UHFFFAOYSA-N 0 0 526.575 3.434 40 5 KGBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C ZINC000409138056 1059060131 /nfs/dbraw/zinc/06/01/31/1059060131.db2.gz ZJLSKRKDTAWLPF-HSZRJFAPSA-N 0 0 537.646 3.291 40 5 KGBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C ZINC000409138057 1059894420 /nfs/dbraw/zinc/89/44/20/1059894420.db2.gz ZJLSKRKDTAWLPF-QHCPKHFHSA-N 0 0 537.646 3.291 40 5 KGBBRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000409138117 1059894839 /nfs/dbraw/zinc/89/48/39/1059894839.db2.gz YXFDLLLKQRXXLW-UHFFFAOYSA-N 0 0 560.614 3.133 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3O)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409139134 1059894271 /nfs/dbraw/zinc/89/42/71/1059894271.db2.gz ADWYWVMEODSPJY-MRCZTLKWSA-N 0 0 558.410 3.483 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409139135 1059894239 /nfs/dbraw/zinc/89/42/39/1059894239.db2.gz ADWYWVMEODSPJY-ZNQKWNQWSA-N 0 0 558.410 3.483 40 5 KGBBRN CCOC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2CC)c1 ZINC000409139558 1059893725 /nfs/dbraw/zinc/89/37/25/1059893725.db2.gz BJGANORVMLHNHS-UHFFFAOYSA-N 0 0 512.548 3.044 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409140569 1059893673 /nfs/dbraw/zinc/89/36/73/1059893673.db2.gz JHYGEFKIFTWWKC-OUQXZNHLSA-N 0 0 579.372 3.213 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409140570 1059893581 /nfs/dbraw/zinc/89/35/81/1059893581.db2.gz JHYGEFKIFTWWKC-XLCPLWEUSA-N 0 0 579.372 3.213 40 5 KGBBRN Cc1cc(Br)ccc1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000409141802 1059893166 /nfs/dbraw/zinc/89/31/66/1059893166.db2.gz IZPMEICUWYZRRM-UHFFFAOYSA-N 0 0 519.381 3.455 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409141964 1059060519 /nfs/dbraw/zinc/06/05/19/1059060519.db2.gz OXMTVDXYFDCSFY-JGTYQCAFSA-N 0 0 537.594 3.422 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409141968 1059893252 /nfs/dbraw/zinc/89/32/52/1059893252.db2.gz OXMTVDXYFDCSFY-LYRGBEMXSA-N 0 0 537.594 3.422 40 5 KGBBRN O=C(CN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O)N1CCOCC1 ZINC000409142431 1059060592 /nfs/dbraw/zinc/06/05/92/1059060592.db2.gz LKBSXGKLYDYXNN-LPYMAVHISA-N 0 0 506.540 3.493 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409144371 1059060958 /nfs/dbraw/zinc/06/09/58/1059060958.db2.gz LBMOSZJQIJRMRZ-JGZDWKDESA-N 0 0 522.539 3.232 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409144375 1059891390 /nfs/dbraw/zinc/89/13/90/1059891390.db2.gz JWIQKWILGPVBPL-IDQDRXHYSA-N 0 0 635.436 3.334 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409144383 1059891315 /nfs/dbraw/zinc/89/13/15/1059891315.db2.gz JWIQKWILGPVBPL-KEBMYNNESA-N 0 0 635.436 3.334 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409144384 1059891405 /nfs/dbraw/zinc/89/14/05/1059891405.db2.gz LBMOSZJQIJRMRZ-WYWXSHKMSA-N 0 0 522.539 3.232 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409145835 1059895526 /nfs/dbraw/zinc/89/55/26/1059895526.db2.gz QEMLYGLBUPWCCD-OUQXZNHLSA-N 0 0 532.372 3.370 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409145838 1059895583 /nfs/dbraw/zinc/89/55/83/1059895583.db2.gz QEMLYGLBUPWCCD-XLCPLWEUSA-N 0 0 532.372 3.370 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409146477 1059895409 /nfs/dbraw/zinc/89/54/09/1059895409.db2.gz TWLTXOJAQJNOOC-IMEWXKHHSA-N 0 0 523.567 3.032 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409146483 1059061538 /nfs/dbraw/zinc/06/15/38/1059061538.db2.gz TWLTXOJAQJNOOC-WVWKGNOCSA-N 0 0 523.567 3.032 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409147089 1059894898 /nfs/dbraw/zinc/89/48/98/1059894898.db2.gz WFYRFSLRCGHNKP-JGTYQCAFSA-N 0 0 537.594 3.422 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409147093 1059894862 /nfs/dbraw/zinc/89/48/62/1059894862.db2.gz WFYRFSLRCGHNKP-LYRGBEMXSA-N 0 0 537.594 3.422 40 5 KGBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1C ZINC000409147891 1059903408 /nfs/dbraw/zinc/90/34/08/1059903408.db2.gz WIEZQVOUBSLJFK-IBGZPJMESA-N 0 0 513.536 3.489 40 5 KGBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1C ZINC000409147893 1059903569 /nfs/dbraw/zinc/90/35/69/1059903569.db2.gz WIEZQVOUBSLJFK-LJQANCHMSA-N 0 0 513.536 3.489 40 5 KGBBRN COC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1 ZINC000409148690 1059902931 /nfs/dbraw/zinc/90/29/31/1059902931.db2.gz ZTLWGSANGRXZTN-FQEVSTJZSA-N 0 0 526.575 3.368 40 5 KGBBRN COC(=O)c1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1 ZINC000409148691 1059903363 /nfs/dbraw/zinc/90/33/63/1059903363.db2.gz ZTLWGSANGRXZTN-HXUWFJFHSA-N 0 0 526.575 3.368 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409149449 1059902967 /nfs/dbraw/zinc/90/29/67/1059902967.db2.gz GMKVSUABLCOOTD-HMEHKCSNSA-N 0 0 541.969 3.397 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409149450 1059060545 /nfs/dbraw/zinc/06/05/45/1059060545.db2.gz GMKVSUABLCOOTD-QVFHAIOXSA-N 0 0 541.969 3.397 40 5 KGBBRN CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2C)cc1 ZINC000409150455 1059901479 /nfs/dbraw/zinc/90/14/79/1059901479.db2.gz BVBYSFCNTSJKGG-HNNXBMFYSA-N 0 0 528.591 3.109 40 5 KGBBRN CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2C)cc1 ZINC000409150458 1059901427 /nfs/dbraw/zinc/90/14/27/1059901427.db2.gz BVBYSFCNTSJKGG-OAHLLOKOSA-N 0 0 528.591 3.109 40 5 KGBBRN CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1 ZINC000409155863 1059897348 /nfs/dbraw/zinc/89/73/48/1059897348.db2.gz DRMOULWDLZTNDZ-INIZCTEOSA-N 0 0 512.592 3.409 40 5 KGBBRN CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1 ZINC000409155865 1059897432 /nfs/dbraw/zinc/89/74/32/1059897432.db2.gz DRMOULWDLZTNDZ-MRXNPFEDSA-N 0 0 512.592 3.409 40 5 KGBBRN COc1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c([N+](=O)[O-])c1 ZINC000409156471 1059896765 /nfs/dbraw/zinc/89/67/65/1059896765.db2.gz OKDPAVFQEYWACH-IBGZPJMESA-N 0 0 529.535 3.488 40 5 KGBBRN COc1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c([N+](=O)[O-])c1 ZINC000409156474 1059896600 /nfs/dbraw/zinc/89/66/00/1059896600.db2.gz OKDPAVFQEYWACH-LJQANCHMSA-N 0 0 529.535 3.488 40 5 KGBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N2CCN(c3ccccc3)CC2)n[nH]1 ZINC000409157162 1059896274 /nfs/dbraw/zinc/89/62/74/1059896274.db2.gz HXJYPWJPISHXHG-JOCHJYFZSA-N 0 0 523.619 3.281 40 5 KGBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N2CCN(c3ccccc3)CC2)n[nH]1 ZINC000409157170 1059896089 /nfs/dbraw/zinc/89/60/89/1059896089.db2.gz HXJYPWJPISHXHG-QFIPXVFZSA-N 0 0 523.619 3.281 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409161240 1059909069 /nfs/dbraw/zinc/90/90/69/1059909069.db2.gz LIJHLSOIGHFRHT-FJWZAKCXSA-N 0 0 507.568 3.414 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409161243 1059909132 /nfs/dbraw/zinc/90/91/32/1059909132.db2.gz LIJHLSOIGHFRHT-RQLGBQGVSA-N 0 0 507.568 3.414 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409161292 1059908556 /nfs/dbraw/zinc/90/85/56/1059908556.db2.gz MPNXXILNHWCSQH-POEBIKTISA-N 0 0 524.599 3.454 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409161293 1059062385 /nfs/dbraw/zinc/06/23/85/1059062385.db2.gz MPNXXILNHWCSQH-YSSBIZNGSA-N 0 0 524.599 3.454 40 5 KGBBRN COC(=O)c1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 ZINC000409163361 1059906238 /nfs/dbraw/zinc/90/62/38/1059906238.db2.gz QILAWRPCNYGGGW-IBGZPJMESA-N 0 0 512.548 3.357 40 5 KGBBRN COC(=O)c1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 ZINC000409163362 1059906275 /nfs/dbraw/zinc/90/62/75/1059906275.db2.gz QILAWRPCNYGGGW-LJQANCHMSA-N 0 0 512.548 3.357 40 5 KGBBRN CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1 ZINC000409164350 1059905583 /nfs/dbraw/zinc/90/55/83/1059905583.db2.gz HIUSAPKIPPCPJA-INIZCTEOSA-N 0 0 512.592 3.409 40 5 KGBBRN CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1 ZINC000409164351 1059062359 /nfs/dbraw/zinc/06/23/59/1059062359.db2.gz HIUSAPKIPPCPJA-MRXNPFEDSA-N 0 0 512.592 3.409 40 5 KGBBRN COC(=O)c1cccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1 ZINC000409166719 1059911862 /nfs/dbraw/zinc/91/18/62/1059911862.db2.gz GGEMRJNMYPTTBC-IBGZPJMESA-N 0 0 512.548 3.357 40 5 KGBBRN COC(=O)c1cccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1 ZINC000409166722 1059911909 /nfs/dbraw/zinc/91/19/09/1059911909.db2.gz GGEMRJNMYPTTBC-LJQANCHMSA-N 0 0 512.548 3.357 40 5 KGBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409168702 1059917779 /nfs/dbraw/zinc/91/77/79/1059917779.db2.gz RRMWRLPPUWHBEB-UHFFFAOYSA-N 0 0 639.108 3.420 40 5 KGBBRN CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1 ZINC000409169881 1059916660 /nfs/dbraw/zinc/91/66/60/1059916660.db2.gz SQUPOBHSSAJPEF-INIZCTEOSA-N 0 0 512.592 3.409 40 5 KGBBRN CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1 ZINC000409169883 1059916689 /nfs/dbraw/zinc/91/66/89/1059916689.db2.gz SQUPOBHSSAJPEF-MRXNPFEDSA-N 0 0 512.592 3.409 40 5 KGBBRN Cc1ccc(C(=O)COC(=O)CN2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3C2=O)cc1[N+](=O)[O-] ZINC000409172424 1059914837 /nfs/dbraw/zinc/91/48/37/1059914837.db2.gz HSSIGMXVEGFKNI-UHFFFAOYSA-N 0 0 603.496 3.182 40 5 KGBBRN O=C(CN1C(=O)c2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2C1=O)OCc1ccccc1[N+](=O)[O-] ZINC000409176147 1059912508 /nfs/dbraw/zinc/91/25/08/1059912508.db2.gz IMYVREQBOWTRLL-UHFFFAOYSA-N 0 0 519.422 3.199 40 5 KGBBRN O=C(CN1C(=O)c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2C1=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000409176724 1059912577 /nfs/dbraw/zinc/91/25/77/1059912577.db2.gz WAHZVRLBRXJHDJ-UHFFFAOYSA-N 0 0 519.422 3.199 40 5 KGBBRN CS(=O)(=O)CC[C@H](C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409177282 1059007520 /nfs/dbraw/zinc/00/75/20/1059007520.db2.gz CMRKQTZSWCHVFA-JOCHJYFZSA-N 0 0 583.531 3.438 40 5 KGBBRN CS(=O)(=O)CC[C@@H](C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409177284 1059007498 /nfs/dbraw/zinc/00/74/98/1059007498.db2.gz CMRKQTZSWCHVFA-QFIPXVFZSA-N 0 0 583.531 3.438 40 5 KGBBRN CS(=O)(=O)CC[C@@H](C(=O)OCc1ccccc1[N+](=O)[O-])N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409177485 1059921242 /nfs/dbraw/zinc/92/12/42/1059921242.db2.gz BGLXHJZOMPIIBA-KRWDZBQOSA-N 0 0 515.327 3.044 40 5 KGBBRN CS(=O)(=O)CC[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409177487 1059921270 /nfs/dbraw/zinc/92/12/70/1059921270.db2.gz BGLXHJZOMPIIBA-QGZVFWFLSA-N 0 0 515.327 3.044 40 5 KGBBRN CS(=O)(=O)CC[C@@H](C(=O)OCc1ccccc1[N+](=O)[O-])N1C(=O)c2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2C1=O ZINC000409177500 1059921399 /nfs/dbraw/zinc/92/13/99/1059921399.db2.gz BLXHDSRFKQYMHM-DEOSSOPVSA-N 0 0 625.568 3.003 40 5 KGBBRN CS(=O)(=O)CC[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])N1C(=O)c2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2C1=O ZINC000409177503 1059921310 /nfs/dbraw/zinc/92/13/10/1059921310.db2.gz BLXHDSRFKQYMHM-XMMPIXPASA-N 0 0 625.568 3.003 40 5 KGBBRN COc1ccc(OC)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409177859 1059921379 /nfs/dbraw/zinc/92/13/79/1059921379.db2.gz JUBZTXZOGIQETC-UHFFFAOYSA-N 0 0 561.569 3.472 40 5 KGBBRN CS(=O)(=O)CC[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409178059 1059920748 /nfs/dbraw/zinc/92/07/48/1059920748.db2.gz DUENUMYCEQWBCK-DEOSSOPVSA-N 0 0 625.568 3.003 40 5 KGBBRN CS(=O)(=O)CC[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409178064 1059920684 /nfs/dbraw/zinc/92/06/84/1059920684.db2.gz DUENUMYCEQWBCK-XMMPIXPASA-N 0 0 625.568 3.003 40 5 KGBBRN Cc1ccc(C(=O)COC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1[N+](=O)[O-] ZINC000409178164 1059920772 /nfs/dbraw/zinc/92/07/72/1059920772.db2.gz GXDGLQBXUKTDDZ-KRWDZBQOSA-N 0 0 557.364 3.035 40 5 KGBBRN Cc1ccc(C(=O)COC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1[N+](=O)[O-] ZINC000409178171 1059921361 /nfs/dbraw/zinc/92/13/61/1059921361.db2.gz GXDGLQBXUKTDDZ-QGZVFWFLSA-N 0 0 557.364 3.035 40 5 KGBBRN O=C(CN1C(=O)c2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2C1=O)OCc1cccc([N+](=O)[O-])c1 ZINC000409178283 1059920800 /nfs/dbraw/zinc/92/08/00/1059920800.db2.gz LTTINMVDMZTQNQ-UHFFFAOYSA-N 0 0 519.422 3.199 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178519 1059919989 /nfs/dbraw/zinc/91/99/89/1059919989.db2.gz JFDZLRHDVOZORQ-IDQDRXHYSA-N 0 0 558.410 3.483 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178521 1059920708 /nfs/dbraw/zinc/92/07/08/1059920708.db2.gz JFDZLRHDVOZORQ-KEBMYNNESA-N 0 0 558.410 3.483 40 5 KGBBRN CS(=O)(=O)CC[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000409179118 1059920034 /nfs/dbraw/zinc/92/00/34/1059920034.db2.gz KGYCXFNXAYAHLY-DEOSSOPVSA-N 0 0 625.568 3.003 40 5 KGBBRN CS(=O)(=O)CC[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000409179123 1059063735 /nfs/dbraw/zinc/06/37/35/1059063735.db2.gz KGYCXFNXAYAHLY-XMMPIXPASA-N 0 0 625.568 3.003 40 5 KGBBRN COc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(OC(C)=O)cc4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000409180356 1059063256 /nfs/dbraw/zinc/06/32/56/1059063256.db2.gz RLPGFGONWNIBFB-UHFFFAOYSA-N 0 0 518.434 3.369 40 5 KGBBRN CS(=O)(=O)CC[C@@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409180861 1059919855 /nfs/dbraw/zinc/91/98/55/1059919855.db2.gz SVGUJSVQWVVHRT-NRFANRHFSA-N 0 0 522.535 3.327 40 5 KGBBRN CS(=O)(=O)CC[C@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000409180862 1059919960 /nfs/dbraw/zinc/91/99/60/1059919960.db2.gz SVGUJSVQWVVHRT-OAQYLSRUSA-N 0 0 522.535 3.327 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182767 1059919542 /nfs/dbraw/zinc/91/95/42/1059919542.db2.gz NRZDJEJJMFZLSL-NWKGEQBZSA-N 0 0 523.567 3.032 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182769 1059919578 /nfs/dbraw/zinc/91/95/78/1059919578.db2.gz NRZDJEJJMFZLSL-YOKWNPFVSA-N 0 0 523.567 3.032 40 5 KGBBRN COc1ccc(OC)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409183056 1059919462 /nfs/dbraw/zinc/91/94/62/1059919462.db2.gz QSHCPNHRPJYUGZ-UHFFFAOYSA-N 0 0 531.543 3.463 40 5 KGBBRN COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409190467 1059925179 /nfs/dbraw/zinc/92/51/79/1059925179.db2.gz OBWOZBCGSXENKZ-OVCLIPMQSA-N 0 0 509.256 3.310 40 5 KGBBRN COCCN1C(=O)S/C(=C/c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409193231 1059921790 /nfs/dbraw/zinc/92/17/90/1059921790.db2.gz FXALYFNHNRPULJ-ODLFYWEKSA-N 0 0 508.530 3.362 40 5 KGBBRN COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409194591 1059923099 /nfs/dbraw/zinc/92/30/99/1059923099.db2.gz PKUHZDVALSMCHA-OVCLIPMQSA-N 0 0 509.256 3.310 40 5 KGBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409198525 1059928670 /nfs/dbraw/zinc/92/86/70/1059928670.db2.gz BSNJIGQPMRZFRV-AQTBWJFISA-N 0 0 509.496 3.464 40 5 KGBBRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1OC ZINC000409206779 1059925456 /nfs/dbraw/zinc/92/54/56/1059925456.db2.gz PUAZCZDXQLPADB-UHFFFAOYSA-N 0 0 515.544 3.151 40 5 KGBBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409214198 1059930237 /nfs/dbraw/zinc/93/02/37/1059930237.db2.gz WUJTVYZBJRJSAU-VCHYOVAHSA-N 0 0 507.434 3.461 40 5 KGBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O ZINC000409239046 1059940187 /nfs/dbraw/zinc/94/01/87/1059940187.db2.gz FSIIFUVGQIPWRI-WOJGMQOQSA-N 0 0 519.470 3.331 40 5 KGBBRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1OC ZINC000409239972 1059940093 /nfs/dbraw/zinc/94/00/93/1059940093.db2.gz ITRNPBUJQXJDOT-UHFFFAOYSA-N 0 0 529.571 3.459 40 5 KGBBRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 ZINC000409256724 1059941935 /nfs/dbraw/zinc/94/19/35/1059941935.db2.gz PFCZXAKZKQYPGU-UHFFFAOYSA-N 0 0 527.511 3.002 40 5 KGBBRN O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000409263143 1059067705 /nfs/dbraw/zinc/06/77/05/1059067705.db2.gz AMCQHDQBHWNJBG-UHFFFAOYSA-N 0 0 544.611 3.213 40 5 KGBBRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1 ZINC000409264729 1059944879 /nfs/dbraw/zinc/94/48/79/1059944879.db2.gz PRXIKQQBHWOWOU-UHFFFAOYSA-N 0 0 527.511 3.002 40 5 KGBBRN COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409264923 1059944583 /nfs/dbraw/zinc/94/45/83/1059944583.db2.gz LUXRNJQCQQSCQC-UHFFFAOYSA-N 0 0 556.597 3.122 40 5 KGBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000409265619 1059944034 /nfs/dbraw/zinc/94/40/34/1059944034.db2.gz UFGVSCDQEUAXKC-UHFFFAOYSA-N 0 0 544.611 3.213 40 5 KGBBRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000409267076 1059944009 /nfs/dbraw/zinc/94/40/09/1059944009.db2.gz SEXYQOODRQPYOV-UHFFFAOYSA-N 0 0 571.564 3.319 40 5 KGBBRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000409267576 1059947814 /nfs/dbraw/zinc/94/78/14/1059947814.db2.gz OCZVJMKAQREXHE-UHFFFAOYSA-N 0 0 527.511 3.002 40 5 KGBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)OC ZINC000409269487 1059947861 /nfs/dbraw/zinc/94/78/61/1059947861.db2.gz CFARNLNRXOAGQA-RGVLZGJSSA-N 0 0 500.485 3.465 40 5 KGBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409273396 1059949665 /nfs/dbraw/zinc/94/96/65/1059949665.db2.gz QOMOOTUBJJPDDL-UCQKPKSFSA-N 0 0 555.565 3.150 40 5 KGBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)Nc1ccc(F)cc1F ZINC000409274884 1059068084 /nfs/dbraw/zinc/06/80/84/1059068084.db2.gz QWUYUXNNARYQTJ-GRSHGNNSSA-N 0 0 504.471 3.385 40 5 KGBBRN CCOC(=O)COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC ZINC000409275769 1059948487 /nfs/dbraw/zinc/94/84/87/1059948487.db2.gz WQUZCVHGXDERLS-JAIQZWGSSA-N 0 0 500.485 3.465 40 5 KGBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)N1CCc2ccccc2C1 ZINC000409276096 1059948628 /nfs/dbraw/zinc/94/86/28/1059948628.db2.gz YMMFKPPSGMRBSB-HMAPJEAMSA-N 0 0 508.556 3.053 40 5 KGBBRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000409310195 1059068702 /nfs/dbraw/zinc/06/87/02/1059068702.db2.gz RXTKINJHGMNHHK-UHFFFAOYSA-N 0 0 546.627 3.459 40 5 KGBBRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409322009 1059956760 /nfs/dbraw/zinc/95/67/60/1059956760.db2.gz INBSDKPJGFERJO-UHFFFAOYSA-N 0 0 568.608 3.218 40 5 KGBBRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000409322299 1059956280 /nfs/dbraw/zinc/95/62/80/1059956280.db2.gz JTLMJLAMQNSVKW-UHFFFAOYSA-N 0 0 606.679 3.477 40 5 KGBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnnn4C)cc3s2)c([N+](=O)[O-])c1 ZINC000409333311 1059957820 /nfs/dbraw/zinc/95/78/20/1059957820.db2.gz GIZGCQXTXPDNST-UHFFFAOYSA-N 0 0 546.616 3.198 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000409335154 1059957746 /nfs/dbraw/zinc/95/77/46/1059957746.db2.gz JYCYYSQRSXLMTA-PLQXQRLBSA-N 0 0 583.619 3.131 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000409335163 1059069451 /nfs/dbraw/zinc/06/94/51/1059069451.db2.gz JYCYYSQRSXLMTA-VVNKCDPRSA-N 0 0 583.619 3.131 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000409337376 1059069520 /nfs/dbraw/zinc/06/95/20/1059069520.db2.gz SXXSCTLDSFKFCO-MFUBYVTQSA-N 0 0 553.593 3.122 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000409337380 1059960552 /nfs/dbraw/zinc/96/05/52/1059960552.db2.gz SXXSCTLDSFKFCO-RWTNITNYSA-N 0 0 553.593 3.122 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409341633 1059959874 /nfs/dbraw/zinc/95/98/74/1059959874.db2.gz DOJFPDMDOZOKHS-NWKGEQBZSA-N 0 0 523.567 3.119 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409341635 1059960090 /nfs/dbraw/zinc/96/00/90/1059960090.db2.gz DOJFPDMDOZOKHS-YOKWNPFVSA-N 0 0 523.567 3.119 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409354854 1059961421 /nfs/dbraw/zinc/96/14/21/1059961421.db2.gz ARHFBBDQERJTJM-FJWZAKCXSA-N 0 0 523.567 3.032 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409354859 1059961637 /nfs/dbraw/zinc/96/16/37/1059961637.db2.gz ARHFBBDQERJTJM-RQLGBQGVSA-N 0 0 523.567 3.032 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409355037 1059961025 /nfs/dbraw/zinc/96/10/25/1059961025.db2.gz BEOXRKKCJVKODL-IDQDRXHYSA-N 0 0 588.436 3.492 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409355040 1059961514 /nfs/dbraw/zinc/96/15/14/1059961514.db2.gz BEOXRKKCJVKODL-KEBMYNNESA-N 0 0 588.436 3.492 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409359674 1059965599 /nfs/dbraw/zinc/96/55/99/1059965599.db2.gz NKBFYJVHRLJTMI-NWKGEQBZSA-N 0 0 502.552 3.496 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409359682 1059965445 /nfs/dbraw/zinc/96/54/45/1059965445.db2.gz NKBFYJVHRLJTMI-YOKWNPFVSA-N 0 0 502.552 3.496 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409361401 1059965542 /nfs/dbraw/zinc/96/55/42/1059965542.db2.gz RQWGUAKBPQPHCW-NWKGEQBZSA-N 0 0 523.567 3.032 40 5 KGBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409361404 1059965427 /nfs/dbraw/zinc/96/54/27/1059965427.db2.gz RQWGUAKBPQPHCW-YOKWNPFVSA-N 0 0 523.567 3.032 40 5 KGBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)ccc1Cl ZINC000409361671 1059965612 /nfs/dbraw/zinc/96/56/12/1059965612.db2.gz QOVMNFDLTMXTAE-ZWSORDCHSA-N 0 0 519.875 3.439 40 5 KGBBRN O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409390734 1059981402 /nfs/dbraw/zinc/98/14/02/1059981402.db2.gz LGARNMUWAXUOGH-UHFFFAOYSA-N 0 0 501.956 3.166 40 5 KGBBRN O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000409392168 1059980733 /nfs/dbraw/zinc/98/07/33/1059980733.db2.gz PSXCSZJHLQQNQT-UHFFFAOYSA-N 0 0 501.956 3.166 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409397999 1059992098 /nfs/dbraw/zinc/99/20/98/1059992098.db2.gz ATPJYIFXHCKGEO-ZDLGFXPLSA-N 0 0 538.444 3.224 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)Nc4cccc(F)c4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398011 1059991982 /nfs/dbraw/zinc/99/19/82/1059991982.db2.gz AXBXGIUIXMRXCU-LSCVHKIXSA-N 0 0 568.470 3.233 40 5 KGBBRN CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-] ZINC000409398020 1059992120 /nfs/dbraw/zinc/99/21/20/1059992120.db2.gz AYVNGQUHRQPMLI-LWHXSLQUSA-N 0 0 521.866 3.051 40 5 KGBBRN CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-] ZINC000409398022 1059991958 /nfs/dbraw/zinc/99/19/58/1059991958.db2.gz AYVNGQUHRQPMLI-SHLUWWQESA-N 0 0 521.866 3.051 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398037 1059991908 /nfs/dbraw/zinc/99/19/08/1059991908.db2.gz BGHNPHLXDBSPJM-ZDLGFXPLSA-N 0 0 538.444 3.224 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3cccc(F)c3)C2=O)o1 ZINC000409398064 1059991544 /nfs/dbraw/zinc/99/15/44/1059991544.db2.gz BQESKSRJHGLYJL-GRSHGNNSSA-N 0 0 538.444 3.224 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OCC(=O)Nc3ccc(F)cc3)C2=O)o1 ZINC000409398197 1059075179 /nfs/dbraw/zinc/07/51/79/1059075179.db2.gz BULLBSRGRIEBMH-WQRHYEAKSA-N 0 0 538.444 3.224 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398206 1059991618 /nfs/dbraw/zinc/99/16/18/1059991618.db2.gz BWBKHJHDKLVREB-ZDLGFXPLSA-N 0 0 550.480 3.093 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)Nc4ccc(F)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398234 1059991721 /nfs/dbraw/zinc/99/17/21/1059991721.db2.gz CCEUFOVVEXKPMN-NVMNQCDNSA-N 0 0 568.470 3.233 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OCC(=O)Nc3ccccc3)C2=O)o1 ZINC000409398251 1059991745 /nfs/dbraw/zinc/99/17/45/1059991745.db2.gz CGUSCFUNWMREMY-PDGQHHTCSA-N 0 0 520.454 3.085 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3ccccc3)C2=O)o1 ZINC000409398345 1059991769 /nfs/dbraw/zinc/99/17/69/1059991769.db2.gz DAOLDDQTNKCKPN-UNOMPAQXSA-N 0 0 520.454 3.085 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC(=O)OC(C)C)C2=O)o1 ZINC000409398576 1059990482 /nfs/dbraw/zinc/99/04/82/1059990482.db2.gz DPVXJJQXURFWEW-CHHVJCJISA-N 0 0 521.866 3.051 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc5c(c4)OCO5)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398586 1059073446 /nfs/dbraw/zinc/07/34/46/1059073446.db2.gz DVTSSFYKYLTQRC-IDUWFGFVSA-N 0 0 551.464 3.384 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3ccc(C)cc3)C2=O)o1 ZINC000409398663 1059990458 /nfs/dbraw/zinc/99/04/58/1059990458.db2.gz FRIZHEITYOSSPI-NDENLUEZSA-N 0 0 534.481 3.393 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OCC(=O)Nc3cccc(F)c3)C2=O)o1 ZINC000409398735 1059073424 /nfs/dbraw/zinc/07/34/24/1059073424.db2.gz GCDPKXULBHYGMN-ZDLGFXPLSA-N 0 0 538.444 3.224 40 5 KGBBRN CCOC(=O)[C@H](C)Oc1c(Br)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-] ZINC000409398979 1059990062 /nfs/dbraw/zinc/99/00/62/1059990062.db2.gz GPOHYHNBFINAQK-LWHXSLQUSA-N 0 0 566.317 3.160 40 5 KGBBRN CCOC(=O)[C@@H](C)Oc1c(Br)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-] ZINC000409398980 1059990111 /nfs/dbraw/zinc/99/01/11/1059990111.db2.gz GPOHYHNBFINAQK-SHLUWWQESA-N 0 0 566.317 3.160 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OCC(=O)Nc3ccccc3F)C2=O)o1 ZINC000409398995 1059073895 /nfs/dbraw/zinc/07/38/95/1059073895.db2.gz GVLXURKLHSNHSO-WQRHYEAKSA-N 0 0 538.444 3.224 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3Oc3ccc([N+](=O)[O-])cn3)C2=O)o1 ZINC000409399137 1059989979 /nfs/dbraw/zinc/98/99/79/1059989979.db2.gz HZQGIGXPIMZEGT-SXGWCWSVSA-N 0 0 509.387 3.163 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)Nc4ccccc4C)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409399681 1059987402 /nfs/dbraw/zinc/98/74/02/1059987402.db2.gz KRESZYZNBKEDGY-GRSHGNNSSA-N 0 0 564.507 3.402 40 5 KGBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1 ZINC000409399712 1059987804 /nfs/dbraw/zinc/98/78/04/1059987804.db2.gz KVYRUDGIHQAKDC-ODLFYWEKSA-N 0 0 564.507 3.484 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)Nc4ccccc4C)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409399736 1059987275 /nfs/dbraw/zinc/98/72/75/1059987275.db2.gz LFVHYFWNAISAIR-ODLFYWEKSA-N 0 0 534.481 3.393 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OCC(=O)Nc3ccccc3C)C2=O)o1 ZINC000409399938 1059074410 /nfs/dbraw/zinc/07/44/10/1059074410.db2.gz MDNOGTIHFCPYPD-UNOMPAQXSA-N 0 0 534.481 3.393 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)o1 ZINC000409399980 1059986825 /nfs/dbraw/zinc/98/68/25/1059986825.db2.gz MOWHJBSGCGTDTH-PXNMLYILSA-N 0 0 524.442 3.272 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCc3ccc4c(c3)OCO4)C2=O)o1 ZINC000409400299 1059017538 /nfs/dbraw/zinc/01/75/38/1059017538.db2.gz NXWVJGTZYQDVJY-ZDLGFXPLSA-N 0 0 521.438 3.375 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)Nc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409400363 1059986089 /nfs/dbraw/zinc/98/60/89/1059986089.db2.gz PHQFSVPQEBJZRT-GRSHGNNSSA-N 0 0 564.507 3.402 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(OC)c(Oc4ccc([N+](=O)[O-])cn4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409400366 1059986265 /nfs/dbraw/zinc/98/62/65/1059986265.db2.gz PKBYLNGRAGWKNH-CHHVJCJISA-N 0 0 539.413 3.171 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409400591 1059985776 /nfs/dbraw/zinc/98/57/76/1059985776.db2.gz PPRVIWOXTQCTJL-CHHVJCJISA-N 0 0 521.866 3.051 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3OCc3ccc4c(c3)OCO4)C2=O)o1 ZINC000409400682 1059985698 /nfs/dbraw/zinc/98/56/98/1059985698.db2.gz QCCYDUWDLHDUBV-YVLHZVERSA-N 0 0 521.438 3.375 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)Nc4cccc(F)c4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409400782 1059997089 /nfs/dbraw/zinc/99/70/89/1059997089.db2.gz QXVJXOZNYQIXRU-NVMNQCDNSA-N 0 0 538.444 3.224 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCC(=O)OC(C)C)C2=O)o1 ZINC000409401273 1059993078 /nfs/dbraw/zinc/99/30/78/1059993078.db2.gz RXEZOGZMOKREFU-CHHVJCJISA-N 0 0 566.317 3.160 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3ccccc3C)C2=O)o1 ZINC000409401294 1059074334 /nfs/dbraw/zinc/07/43/34/1059074334.db2.gz SERCAMRMPMCEER-NDENLUEZSA-N 0 0 534.481 3.393 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(=O)OC(C)C)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409401407 1059074432 /nfs/dbraw/zinc/07/44/32/1059074432.db2.gz TUMQIPCIYSUEPV-CHHVJCJISA-N 0 0 566.317 3.160 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409401469 1059996055 /nfs/dbraw/zinc/99/60/55/1059996055.db2.gz UEFIWWGRKRCSFQ-ODLFYWEKSA-N 0 0 534.481 3.393 40 5 KGBBRN CCOC(=O)[C@H](C)Oc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000409401975 1059996030 /nfs/dbraw/zinc/99/60/30/1059996030.db2.gz USEUAJWJTOLSOY-LWHXSLQUSA-N 0 0 521.866 3.051 40 5 KGBBRN CCOC(=O)[C@@H](C)Oc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000409401978 1059995959 /nfs/dbraw/zinc/99/59/59/1059995959.db2.gz USEUAJWJTOLSOY-SHLUWWQESA-N 0 0 521.866 3.051 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)Nc4ccccc4F)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409402102 1059996007 /nfs/dbraw/zinc/99/60/07/1059996007.db2.gz VHCUXUDYBOMQRA-NVMNQCDNSA-N 0 0 568.470 3.233 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3ccc(F)cc3)C2=O)o1 ZINC000409402566 1059074745 /nfs/dbraw/zinc/07/47/45/1059074745.db2.gz WTHBIKJFCVJTOL-ODLFYWEKSA-N 0 0 538.444 3.224 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409402595 1059995099 /nfs/dbraw/zinc/99/50/99/1059995099.db2.gz XEKKNRCIFXJZJU-NVNXTCNLSA-N 0 0 509.387 3.163 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc5c(c4)OCO5)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409402607 1059995541 /nfs/dbraw/zinc/99/55/41/1059995541.db2.gz XHQVPPYORDGXIB-IUXPMGMMSA-N 0 0 521.438 3.375 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3Oc3ccc([N+](=O)[O-])cn3)C2=O)o1 ZINC000409402969 1059995080 /nfs/dbraw/zinc/99/50/80/1059995080.db2.gz XXGFIPRITLVQHD-DHDCSXOGSA-N 0 0 509.387 3.163 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409403012 1059995029 /nfs/dbraw/zinc/99/50/29/1059995029.db2.gz YDFYMQBIZZBMSP-WQRHYEAKSA-N 0 0 520.454 3.085 40 5 KGBBRN CCOC(=O)[C@H](C)Oc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000409403054 1059994953 /nfs/dbraw/zinc/99/49/53/1059994953.db2.gz YLAPOCJRSYGJRM-LWHXSLQUSA-N 0 0 566.317 3.160 40 5 KGBBRN CCOC(=O)[C@@H](C)Oc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000409403057 1059994987 /nfs/dbraw/zinc/99/49/87/1059994987.db2.gz YLAPOCJRSYGJRM-SHLUWWQESA-N 0 0 566.317 3.160 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OCC(=O)Nc3ccc(C)cc3)C2=O)o1 ZINC000409403143 1059995058 /nfs/dbraw/zinc/99/50/58/1059995058.db2.gz YVJDUGLFPMESGM-UNOMPAQXSA-N 0 0 534.481 3.393 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3ccccc3F)C2=O)o1 ZINC000409403362 1059994542 /nfs/dbraw/zinc/99/45/42/1059994542.db2.gz ZXAKTUYBVAXWCF-ODLFYWEKSA-N 0 0 538.444 3.224 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc4c(c3)OCO4)C2=O)o1 ZINC000409406204 1059993414 /nfs/dbraw/zinc/99/34/14/1059993414.db2.gz ASYHZGQNUHWHSB-SXGWCWSVSA-N 0 0 535.421 3.015 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(OC)cc3)C2=O)o1 ZINC000409406235 1059993482 /nfs/dbraw/zinc/99/34/82/1059993482.db2.gz AWQUNNCTBBQOSR-PDGQHHTCSA-N 0 0 521.438 3.295 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)o1 ZINC000409406744 1059993458 /nfs/dbraw/zinc/99/34/58/1059993458.db2.gz CITDBIMWAYRENE-WQRHYEAKSA-N 0 0 521.438 3.295 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3OC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)o1 ZINC000409407694 1059075056 /nfs/dbraw/zinc/07/50/56/1059075056.db2.gz GURMSVCOLNQBMM-YVLHZVERSA-N 0 0 581.490 3.312 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC(=O)c3cccc(OC)c3)C2=O)o1 ZINC000409407796 1060000494 /nfs/dbraw/zinc/00/04/94/1060000494.db2.gz HWYZQHRVOQNNJG-PDGQHHTCSA-N 0 0 521.438 3.295 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000409408956 1059999437 /nfs/dbraw/zinc/99/94/37/1059999437.db2.gz FJSGZCHYSFCSPK-UHFFFAOYSA-N 0 0 569.017 3.462 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(OC(C)=O)c(OC)c3)C2=O)o1 ZINC000409409159 1059999185 /nfs/dbraw/zinc/99/91/85/1059999185.db2.gz NLOCCUWBRAKCES-WQRHYEAKSA-N 0 0 579.474 3.220 40 5 KGBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)o1 ZINC000409409953 1059998912 /nfs/dbraw/zinc/99/89/12/1059998912.db2.gz SCVGIRYHPWSHFR-BOPFTXTBSA-N 0 0 536.409 3.195 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1)S(C)(=O)=O ZINC000409410014 1059998785 /nfs/dbraw/zinc/99/87/85/1059998785.db2.gz KMVZBHOUGXRMDT-UHFFFAOYSA-N 0 0 548.599 3.117 40 5 KGBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1)S(C)(=O)=O ZINC000409411627 1059998249 /nfs/dbraw/zinc/99/82/49/1059998249.db2.gz YDMQTNOACCGAMU-UHFFFAOYSA-N 0 0 562.626 3.426 40 5 KGBBRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3OC)S(C)(=O)=O)cc2)cc1 ZINC000409411706 1059998170 /nfs/dbraw/zinc/99/81/70/1059998170.db2.gz KGLODOPFQICCOW-UHFFFAOYSA-N 0 0 578.625 3.208 40 5 KGBBRN CSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)N2N1 ZINC000588225459 1059544653 /nfs/dbraw/zinc/54/46/53/1059544653.db2.gz JVKCTYQAYLFFGL-FQEVSTJZSA-N 0 0 526.372 3.432 40 5 KGBBRN CSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)N2N1 ZINC000588225460 1059544743 /nfs/dbraw/zinc/54/47/43/1059544743.db2.gz JVKCTYQAYLFFGL-HXUWFJFHSA-N 0 0 526.372 3.432 40 5 KGBBRN CCOc1ccc([N+](=O)[O-])cc1[C@@H]1N=c2ccccc2=C2C(=O)N=C(SCc3ccccc3F)NN21 ZINC000588226451 1059545309 /nfs/dbraw/zinc/54/53/09/1059545309.db2.gz ZVMNWYSFDYACEH-HSZRJFAPSA-N 0 0 505.531 3.209 40 5 KGBBRN CCOc1ccc([N+](=O)[O-])cc1[C@H]1N=c2ccccc2=C2C(=O)N=C(SCc3ccccc3F)NN21 ZINC000588226457 1059545266 /nfs/dbraw/zinc/54/52/66/1059545266.db2.gz ZVMNWYSFDYACEH-QHCPKHFHSA-N 0 0 505.531 3.209 40 5 KGBBRN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N3C[C@H]4C[C@@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)[C@@H]21 ZINC000604405277 1059550418 /nfs/dbraw/zinc/55/04/18/1059550418.db2.gz YJNHSGDZOPNADW-RMYSCLOFSA-N 0 0 613.627 3.315 40 5 KGBBRN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N3C[C@H]4C[C@@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)[C@H]21 ZINC000604405283 1059550434 /nfs/dbraw/zinc/55/04/34/1059550434.db2.gz YJNHSGDZOPNADW-ZPJKGSQLSA-N 0 0 613.627 3.315 40 5 KGBBRN COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@@H](Cn5c(=O)cccc54)[C@@H]23)cc1OC ZINC001547205844 1060044513 /nfs/dbraw/zinc/04/45/13/1060044513.db2.gz VLQURQZVBVCIQC-QPQWRFRXSA-N 0 0 544.608 3.297 40 5 KGBBRN COc1ccc(CNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@@H](Cn5c(=O)cccc54)[C@@H]23)cc1 ZINC001547205954 1060044425 /nfs/dbraw/zinc/04/44/25/1060044425.db2.gz BAJKZOCHVLWNJL-LVKNLMQBSA-N 0 0 500.555 3.246 40 5 KGBBRN O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c(=O)cccc43)[C@@H]12 ZINC001547208566 1060045010 /nfs/dbraw/zinc/04/50/10/1060045010.db2.gz PFVUGFNFKNWTJF-PKFOGQQESA-N 0 0 524.581 3.156 40 5 KGBBRN