smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)ccc2[N+](=O)[O-])n1 ZINC000010231829 132335086 /nfs/dbraw/zinc/33/50/86/132335086.db2.gz VFYLJDWFYIYLLB-UHFFFAOYSA-N 0 0 433.512 3.977 40 5 IHBBRN COc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016216367 523759404 /nfs/dbraw/zinc/75/94/04/523759404.db2.gz WJMNPBPNWXZTIR-UHFFFAOYSA-N 0 0 434.404 3.895 40 5 IHBBRN Cc1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000022393037 525832989 /nfs/dbraw/zinc/83/29/89/525832989.db2.gz ASHUQHGENJQZNX-UHFFFAOYSA-N 0 0 449.485 3.938 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(OC2CCCC2)cc1)S(C)(=O)=O ZINC000022374819 526076652 /nfs/dbraw/zinc/07/66/52/526076652.db2.gz OWNSCUVBNPJHTG-UHFFFAOYSA-N 0 0 447.513 3.629 40 5 IHBBRN O=c1nc2n(c3[nH]ncc31)[C@@H](c1ccccc1)[C@H](Sc1ccc([N+](=O)[O-])cc1)CS2 ZINC000032594525 556406639 /nfs/dbraw/zinc/40/66/39/556406639.db2.gz BLPPGPYKUIPODE-SJORKVTESA-N 0 0 437.506 3.884 40 5 IHBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000408688395 556616620 /nfs/dbraw/zinc/61/66/20/556616620.db2.gz WEYNGCBSKYZGEP-QZTJIDSGSA-N 0 0 439.855 3.757 40 5 IHBBRN O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408682137 556617226 /nfs/dbraw/zinc/61/72/26/556617226.db2.gz IZONQLBWPARQLE-CALCHBBNSA-N 0 0 441.871 3.981 40 5 IHBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1 ZINC000409099908 556630183 /nfs/dbraw/zinc/63/01/83/556630183.db2.gz RKGKSYYRLPYTLZ-UNOMPAQXSA-N 0 0 446.419 3.695 40 5 IHBBRN Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000409179464 556633028 /nfs/dbraw/zinc/63/30/28/556633028.db2.gz OPAURZTYVHGHTO-UHFFFAOYSA-N 0 0 441.421 3.897 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000409265314 556636202 /nfs/dbraw/zinc/63/62/02/556636202.db2.gz SDHVNTKVZATTDI-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1O ZINC000409412571 556639572 /nfs/dbraw/zinc/63/95/72/556639572.db2.gz XTQHVVVKALUJBD-UHFFFAOYSA-N 0 0 433.877 3.963 40 5 IHBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c(C)c1 ZINC000013879476 556748322 /nfs/dbraw/zinc/74/83/22/556748322.db2.gz VREZTHSJYIKDCZ-UHFFFAOYSA-N 0 0 427.486 3.650 40 5 IHBBRN CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000220037501 556810527 /nfs/dbraw/zinc/81/05/27/556810527.db2.gz FVLNGAOYNKYMME-GOSISDBHSA-N 0 0 433.530 3.554 40 5 IHBBRN S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCOCC1 ZINC000408975466 556905676 /nfs/dbraw/zinc/90/56/76/556905676.db2.gz KQXONTZUGSGKPV-UHFFFAOYSA-N 0 0 426.505 3.908 40 5 IHBBRN COc1cc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)ccc1[N+](=O)[O-] ZINC000219822285 556917875 /nfs/dbraw/zinc/91/78/75/556917875.db2.gz TVJXKSFGQXAXSD-UHFFFAOYSA-N 0 0 435.436 3.551 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)o1 ZINC000409045714 556930633 /nfs/dbraw/zinc/93/06/33/556930633.db2.gz HFZYPGAAYNKEIN-UHFFFAOYSA-N 0 0 425.401 3.518 40 5 IHBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409067899 556942321 /nfs/dbraw/zinc/94/23/21/556942321.db2.gz QNTWAOCZQZKZBI-VBEHJTROSA-N 0 0 442.449 3.772 40 5 IHBBRN COc1ccc(NC(=O)Cn2nc(COc3cccc(C)c3)oc2=S)c([N+](=O)[O-])c1 ZINC000409164050 556981671 /nfs/dbraw/zinc/98/16/71/556981671.db2.gz BTSBYRPDFDILHI-UHFFFAOYSA-N 0 0 430.442 3.649 40 5 IHBBRN CCN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409172254 556983947 /nfs/dbraw/zinc/98/39/47/556983947.db2.gz FJSKUJKIKZNVPP-MHWRWJLKSA-N 0 0 446.257 3.849 40 5 IHBBRN Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409176461 556985969 /nfs/dbraw/zinc/98/59/69/556985969.db2.gz OCKLLSPAGOMEGO-UHFFFAOYSA-N 0 0 441.421 3.897 40 5 IHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409180228 556988977 /nfs/dbraw/zinc/98/89/77/556988977.db2.gz VATKDNFYDKIVLP-UHFFFAOYSA-N 0 0 427.394 3.588 40 5 IHBBRN CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000409209522 557003849 /nfs/dbraw/zinc/00/38/49/557003849.db2.gz GBRGNJMFEYOQJF-MLPAPPSSSA-N 0 0 443.275 3.593 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000220197308 557005531 /nfs/dbraw/zinc/00/55/31/557005531.db2.gz HHHQRJDGKCOSOU-LBPRGKRZSA-N 0 0 445.419 3.715 40 5 IHBBRN COc1ccc(Cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1OC ZINC000020759944 557126288 /nfs/dbraw/zinc/12/62/88/557126288.db2.gz TZHLPSSCXDUCNV-UHFFFAOYSA-N 0 0 444.469 3.625 40 5 IHBBRN CC[C@H](NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1 ZINC000220396524 557135945 /nfs/dbraw/zinc/13/59/45/557135945.db2.gz AGOQXIHTIBNKQQ-LPHOPBHVSA-N 0 0 433.530 3.634 40 5 IHBBRN C[C@@H](C(=O)Nc1ccc(OC2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220419020 557149813 /nfs/dbraw/zinc/14/98/13/557149813.db2.gz ALLOAIOOPMUWLM-HNNXBMFYSA-N 0 0 447.513 3.709 40 5 IHBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000021578205 557152414 /nfs/dbraw/zinc/15/24/14/557152414.db2.gz MZCJHIQFJHIPAY-UHFFFAOYSA-N 0 0 430.892 3.949 40 5 IHBBRN CC(C)C[C@@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 ZINC000220422260 557154442 /nfs/dbraw/zinc/15/44/42/557154442.db2.gz NLYXXLLAQTWRNA-OXJNMPFZSA-N 0 0 433.530 3.653 40 5 IHBBRN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101074526 557224895 /nfs/dbraw/zinc/22/48/95/557224895.db2.gz MXBNLMMPMIDQOU-FKBYEOEOSA-N 0 0 429.432 3.954 40 5 IHBBRN Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc(C)c1I ZINC000057312809 557238395 /nfs/dbraw/zinc/23/83/95/557238395.db2.gz KYXXRHBFIVQHNT-UHFFFAOYSA-N 0 0 426.210 3.834 40 5 IHBBRN CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000014122420 557307073 /nfs/dbraw/zinc/30/70/73/557307073.db2.gz CNFQRQKHCQJQHP-UHFFFAOYSA-N 0 0 427.486 3.824 40 5 IHBBRN Cc1c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000014412500 557337148 /nfs/dbraw/zinc/33/71/48/557337148.db2.gz KNIBBNOFIPWBGL-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(OC)c1OC ZINC000408564962 557418343 /nfs/dbraw/zinc/41/83/43/557418343.db2.gz ATSDHTJQDCBQGJ-SFHVURJKSA-N 0 0 430.486 3.712 40 5 IHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408571792 557419726 /nfs/dbraw/zinc/41/97/26/557419726.db2.gz GABKTYPMPVKKBO-BJMVGYQFSA-N 0 0 443.887 3.787 40 5 IHBBRN CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(NC(C)=O)cc1 ZINC000408636604 557423333 /nfs/dbraw/zinc/42/33/33/557423333.db2.gz AYZOPEMMLWMPRF-UHFFFAOYSA-N 0 0 425.470 3.807 40 5 IHBBRN CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408641763 557424524 /nfs/dbraw/zinc/42/45/24/557424524.db2.gz MSFGJRCVMRQOGQ-MRXNPFEDSA-N 0 0 425.441 3.543 40 5 IHBBRN O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000408660564 557426046 /nfs/dbraw/zinc/42/60/46/557426046.db2.gz ATJZCZIWNMKOSI-UHFFFAOYSA-N 0 0 440.239 3.802 40 5 IHBBRN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014269937 557429184 /nfs/dbraw/zinc/42/91/84/557429184.db2.gz JNPIUOVZHVHADH-UHFFFAOYSA-N 0 0 449.876 3.883 40 5 IHBBRN O=C(Nc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000014273002 557432654 /nfs/dbraw/zinc/43/26/54/557432654.db2.gz MHUZPSYQGICMQV-UHFFFAOYSA-N 0 0 446.463 3.936 40 5 IHBBRN Cc1c(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000014412658 557444913 /nfs/dbraw/zinc/44/49/13/557444913.db2.gz IYJCQJVUUVAWAP-UHFFFAOYSA-N 0 0 425.466 3.981 40 5 IHBBRN Cc1cccc(CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c1 ZINC000106707512 557531626 /nfs/dbraw/zinc/53/16/26/557531626.db2.gz OJLMXOCDPAQIAT-MOSHPQCFSA-N 0 0 439.493 3.976 40 5 IHBBRN CCOC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000106728540 557532235 /nfs/dbraw/zinc/53/22/35/557532235.db2.gz KXVIRFLGTBSXNN-WQRHYEAKSA-N 0 0 442.449 3.773 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2c(C)cccc2C)n1C ZINC000000888388 557851613 /nfs/dbraw/zinc/85/16/13/557851613.db2.gz WAPDTPUXKPBRHS-UHFFFAOYSA-N 0 0 440.529 3.991 40 5 IHBBRN O=C(N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)C(Cl)(Cl)Cl ZINC000033795475 568622638 /nfs/dbraw/zinc/62/26/38/568622638.db2.gz PMSHJIAANBLQAD-UHFFFAOYSA-N 0 0 435.739 3.604 40 5 IHBBRN CC[C@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000222367645 568638288 /nfs/dbraw/zinc/63/82/88/568638288.db2.gz UXELZQUEIMRDND-FQEVSTJZSA-N 0 0 433.530 3.717 40 5 IHBBRN CC[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222515986 568649801 /nfs/dbraw/zinc/64/98/01/568649801.db2.gz MCJFOHQGIIOZPS-INIZCTEOSA-N 0 0 445.419 3.797 40 5 IHBBRN CC[C@@H](C(=O)N[C@@H](C)c1cc(C)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222526537 568650498 /nfs/dbraw/zinc/65/04/98/568650498.db2.gz ZHGMIJINILINQG-JXFKEZNVSA-N 0 0 433.530 3.634 40 5 IHBBRN CC[C@H](C(=O)N[C@@H](CC)c1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222529588 568650534 /nfs/dbraw/zinc/65/05/34/568650534.db2.gz CXJLEZUZQSZLIT-VQTJNVASSA-N 0 0 433.530 3.715 40 5 IHBBRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222532443 568651525 /nfs/dbraw/zinc/65/15/25/568651525.db2.gz UMZPWBVTWBKIEZ-INIZCTEOSA-N 0 0 425.894 3.740 40 5 IHBBRN CC[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222542369 568652176 /nfs/dbraw/zinc/65/21/76/568652176.db2.gz BOMNQVPWNSRZCS-UXHICEINSA-N 0 0 445.541 3.642 40 5 IHBBRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000001363553 568782126 /nfs/dbraw/zinc/78/21/26/568782126.db2.gz KMDAXCRPAMJXLW-AWEZNQCLSA-N 0 0 448.888 3.867 40 5 IHBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223588760 568875769 /nfs/dbraw/zinc/87/57/69/568875769.db2.gz YDLZEUFXVCIBDA-HXUWFJFHSA-N 0 0 441.528 3.868 40 5 IHBBRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223639963 568876067 /nfs/dbraw/zinc/87/60/67/568876067.db2.gz NUQDEAYCJNKJJU-KRWDZBQOSA-N 0 0 429.542 3.690 40 5 IHBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223836742 568877363 /nfs/dbraw/zinc/87/73/63/568877363.db2.gz KEBKWWBIFVNGBM-ZDUSSCGKSA-N 0 0 438.311 3.998 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc2c3c(cccc31)CC2)S(C)(=O)=O ZINC000224059458 568889467 /nfs/dbraw/zinc/88/94/67/568889467.db2.gz MNOSXXCMCUZUQS-UHFFFAOYSA-N 0 0 439.493 3.560 40 5 IHBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000006600324 568934602 /nfs/dbraw/zinc/93/46/02/568934602.db2.gz MMVDIIRJWJBXRG-UHFFFAOYSA-N 0 0 442.424 3.825 40 5 IHBBRN CCCOc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccccc2[C@H]2C(=O)NC(SC)=NN12 ZINC000588229107 569145662 /nfs/dbraw/zinc/14/56/62/569145662.db2.gz FDGZPTMNJUPALL-ZWKOTPCHSA-N 0 0 427.486 3.615 40 5 IHBBRN COc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1N1C(=O)c2ccccc2C1=O ZINC000017097434 569172359 /nfs/dbraw/zinc/17/23/59/569172359.db2.gz AKKYETCZXHWBDS-UHFFFAOYSA-N 0 0 431.404 3.965 40 5 IHBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1[N+](=O)[O-] ZINC000017103029 569173303 /nfs/dbraw/zinc/17/33/03/569173303.db2.gz ZSGPYKJNYRFITI-UHFFFAOYSA-N 0 0 439.247 3.701 40 5 IHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017096438 569172953 /nfs/dbraw/zinc/17/29/53/569172953.db2.gz VUFIYELBLMXULB-UHFFFAOYSA-N 0 0 429.458 3.538 40 5 IHBBRN Cc1ccc(Cl)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017099248 569173731 /nfs/dbraw/zinc/17/37/31/569173731.db2.gz BDIDOEAHTMUZAN-UHFFFAOYSA-N 0 0 434.905 3.520 40 5 IHBBRN COC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224776132 569186312 /nfs/dbraw/zinc/18/63/12/569186312.db2.gz RSUCEPNVSIGGAY-UHFFFAOYSA-N 0 0 433.269 3.578 40 5 IHBBRN CCOC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224776272 569186351 /nfs/dbraw/zinc/18/63/51/569186351.db2.gz LFYIZIIUMQZDRX-UHFFFAOYSA-N 0 0 447.296 3.968 40 5 IHBBRN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)c([N+](=O)[O-])c1 ZINC000009810630 569220128 /nfs/dbraw/zinc/22/01/28/569220128.db2.gz DTMJPJOBUDEOCB-UHFFFAOYSA-N 0 0 433.877 3.783 40 5 IHBBRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1C ZINC000035105190 569248271 /nfs/dbraw/zinc/24/82/71/569248271.db2.gz YCBAIEVILREHHY-UHFFFAOYSA-N 0 0 427.486 3.650 40 5 IHBBRN S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCOCC1 ZINC000104353210 569250371 /nfs/dbraw/zinc/25/03/71/569250371.db2.gz VIQURIYBFGBHJW-UHFFFAOYSA-N 0 0 426.505 3.908 40 5 IHBBRN CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OC ZINC000108989786 569253421 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569255116 /nfs/dbraw/zinc/25/51/16/569255116.db2.gz YBBRJOQZFNGSKW-BKUYFWCQSA-N 0 0 429.457 3.944 40 5 IHBBRN COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000009076367 569293594 /nfs/dbraw/zinc/29/35/94/569293594.db2.gz SJZVHCSHLUOAHU-BDTNDASRSA-N 0 0 445.431 3.655 40 5 IHBBRN CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113885201 569297075 /nfs/dbraw/zinc/29/70/75/569297075.db2.gz NOUPHQLMMJJOMQ-UHFFFAOYSA-N 0 0 433.269 3.660 40 5 IHBBRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225454494 569302010 /nfs/dbraw/zinc/30/20/10/569302010.db2.gz NUUHBDXVNHPERR-QGZVFWFLSA-N 0 0 429.542 3.770 40 5 IHBBRN O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000011851806 569303001 /nfs/dbraw/zinc/30/30/01/569303001.db2.gz IEYIAQKUFZAYBP-UONOGXRCSA-N 0 0 439.855 3.929 40 5 IHBBRN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1cccc([N+](=O)[O-])c1 ZINC000019869052 569331137 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RHNOFPQPPYQWRU-SNVBAGLBSA-N 0 0 432.285 3.695 40 5 IHBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223320367 193966417 /nfs/dbraw/zinc/96/64/17/193966417.db2.gz XRYVWVRGNHPBNC-NYVOZVTQSA-N 0 0 449.536 3.932 40 5 IHBBRN O=[N+]([O-])c1ccc(N2CCN([C@H](c3nnnn3C3CCCCC3)c3ccccc3)CC2)cc1 ZINC000013503721 132347239 /nfs/dbraw/zinc/34/72/39/132347239.db2.gz PAIJYIYJVDTXOF-QHCPKHFHSA-N 0 0 447.543 3.998 40 5 IHBBRN CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000020488046 523814895 /nfs/dbraw/zinc/81/48/95/523814895.db2.gz ZPWGLDTWMASKJY-UHFFFAOYSA-N 0 0 431.514 3.581 40 5 IHBBRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc1 ZINC000022258851 525531407 /nfs/dbraw/zinc/53/14/07/525531407.db2.gz LLFFIBCXBZSAGV-CQSZACIVSA-N 0 0 437.905 3.596 40 5 IHBBRN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1 ZINC000012475574 527354268 /nfs/dbraw/zinc/35/42/68/527354268.db2.gz MJRSKUZQBNMJEU-UHFFFAOYSA-N 0 0 446.510 3.722 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000010324790 556330925 /nfs/dbraw/zinc/33/09/25/556330925.db2.gz WQEZSQUMDKBZIG-CYBMUJFWSA-N 0 0 425.894 3.658 40 5 IHBBRN O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2cccc(Cl)c2)cc1 ZINC000032640721 556413290 /nfs/dbraw/zinc/41/32/90/556413290.db2.gz DUXFNMUDNROHOL-DLBZAZTESA-N 0 0 437.930 3.523 40 5 IHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000408676198 556615153 /nfs/dbraw/zinc/61/51/53/556615153.db2.gz AKXUOMWMKJEZJK-QZTJIDSGSA-N 0 0 439.855 3.757 40 5 IHBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408685726 556616717 /nfs/dbraw/zinc/61/67/17/556616717.db2.gz QEGOTGBRWRYOIB-MOPGFXCFSA-N 0 0 437.427 3.633 40 5 IHBBRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408714712 556617748 /nfs/dbraw/zinc/61/77/48/556617748.db2.gz WARJBTSVFMUTKQ-UHFFFAOYSA-N 0 0 430.486 3.763 40 5 IHBBRN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000408728444 556618296 /nfs/dbraw/zinc/61/82/96/556618296.db2.gz MNBQNXKSADPHCH-VUUXHMSQSA-N 0 0 438.439 3.735 40 5 IHBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000409102634 556630463 /nfs/dbraw/zinc/63/04/63/556630463.db2.gz DTDWDJJEZSSYNF-FHXOWUIVSA-N 0 0 442.449 3.772 40 5 IHBBRN CC(=O)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000409189601 556633897 /nfs/dbraw/zinc/63/38/97/556633897.db2.gz RHBFHGXSQVMFRO-DHDCSXOGSA-N 0 0 431.198 3.627 40 5 IHBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc1[N+](=O)[O-] ZINC000409350529 556637477 /nfs/dbraw/zinc/63/74/77/556637477.db2.gz UBUXPJWKTBYFLH-VCHYOVAHSA-N 0 0 441.465 3.895 40 5 IHBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713944 556714793 /nfs/dbraw/zinc/71/47/93/556714793.db2.gz NLJQXFOKMIPMIG-KRWDZBQOSA-N 0 0 425.894 3.740 40 5 IHBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714763 556714862 /nfs/dbraw/zinc/71/48/62/556714862.db2.gz AZZNJVKYNASAOE-KRWDZBQOSA-N 0 0 425.894 3.740 40 5 IHBBRN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)C1 ZINC000408976451 556906225 /nfs/dbraw/zinc/90/62/25/556906225.db2.gz RHMAAQWOGNVPKS-QGZVFWFLSA-N 0 0 429.524 3.985 40 5 IHBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O ZINC000409060262 556937282 /nfs/dbraw/zinc/93/72/82/556937282.db2.gz YYNGCJHZFPXGDW-WOJGMQOQSA-N 0 0 442.449 3.773 40 5 IHBBRN CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409169323 556983427 /nfs/dbraw/zinc/98/34/27/556983427.db2.gz XJUZCFXDKFLMMS-CXUHLZMHSA-N 0 0 431.832 3.748 40 5 IHBBRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220251422 557027603 /nfs/dbraw/zinc/02/76/03/557027603.db2.gz BRKKWLRFSCPFAW-SNVBAGLBSA-N 0 0 432.285 3.695 40 5 IHBBRN COc1ccc(OC)c(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409347461 557075642 /nfs/dbraw/zinc/07/56/42/557075642.db2.gz PUAVLXAOAFCPHR-VCHYOVAHSA-N 0 0 428.422 3.531 40 5 IHBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000205778335 557093900 /nfs/dbraw/zinc/09/39/00/557093900.db2.gz FVQXZYDPOHYMSF-RQZCQDPDSA-N 0 0 446.437 3.851 40 5 IHBBRN CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220388484 557134285 /nfs/dbraw/zinc/13/42/85/557134285.db2.gz KLWOKKNUQMEUQG-OAHLLOKOSA-N 0 0 433.530 3.821 40 5 IHBBRN CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220388547 557134567 /nfs/dbraw/zinc/13/45/67/557134567.db2.gz KLWOKKNUQMEUQG-HNNXBMFYSA-N 0 0 433.530 3.821 40 5 IHBBRN CC[C@H](NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1 ZINC000220396378 557135911 /nfs/dbraw/zinc/13/59/11/557135911.db2.gz AGOQXIHTIBNKQQ-APWZRJJASA-N 0 0 433.530 3.634 40 5 IHBBRN Cc1ccccc1N1C(=O)[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)C1=O ZINC000101136392 557261379 /nfs/dbraw/zinc/26/13/79/557261379.db2.gz LYHURZVPPLFWJW-VSKRKVRLSA-N 0 0 429.432 3.954 40 5 IHBBRN COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000000823223 557266357 /nfs/dbraw/zinc/26/63/57/557266357.db2.gz OOGLDNSTGLWODG-UHFFFAOYSA-N 0 0 427.438 3.657 40 5 IHBBRN O=C1[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102709079 557365289 /nfs/dbraw/zinc/36/52/89/557365289.db2.gz BTYKVKZKPFZZEW-HKBOAZHASA-N 0 0 433.395 3.785 40 5 IHBBRN CN1C[C@H](c2ccc(OCc3ccccc3)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564425 557419269 /nfs/dbraw/zinc/41/92/69/557419269.db2.gz CTZLCAYQFSRUGT-PBXXJUDPSA-N 0 0 429.476 3.788 40 5 IHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)n[nH]1 ZINC000408582750 557420595 /nfs/dbraw/zinc/42/05/95/557420595.db2.gz PWPRYTNHBRENJK-UHFFFAOYSA-N 0 0 443.529 3.920 40 5 IHBBRN Cc1cccc(NC(=O)c2ccccc2NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000408598729 557421663 /nfs/dbraw/zinc/42/16/63/557421663.db2.gz AEWDUSAVYYJTIQ-UHFFFAOYSA-N 0 0 433.420 3.951 40 5 IHBBRN CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408637918 557423616 /nfs/dbraw/zinc/42/36/16/557423616.db2.gz AVFWPXVAPANYFK-ZDUSSCGKSA-N 0 0 432.274 3.911 40 5 IHBBRN CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408641762 557424472 /nfs/dbraw/zinc/42/44/72/557424472.db2.gz MSFGJRCVMRQOGQ-INIZCTEOSA-N 0 0 425.441 3.543 40 5 IHBBRN CCc1cccc(CC)c1NC(=O)COC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408660543 557426078 /nfs/dbraw/zinc/42/60/78/557426078.db2.gz AJAJLQNCXQOSLK-UHFFFAOYSA-N 0 0 427.457 3.620 40 5 IHBBRN O=C(Nc1cccc(F)c1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000015676028 560094692 /nfs/dbraw/zinc/09/46/92/560094692.db2.gz DOSRWESMEFTOGF-SFHVURJKSA-N 0 0 449.402 3.839 40 5 biogenic,in-vitro IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O ZINC000222376400 568639430 /nfs/dbraw/zinc/63/94/30/568639430.db2.gz WQKSULSICQUVMJ-SFHVURJKSA-N 0 0 447.557 3.587 40 5 IHBBRN CC[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222523975 568650275 /nfs/dbraw/zinc/65/02/75/568650275.db2.gz DAUDXTNVTUNMKX-INIZCTEOSA-N 0 0 445.419 3.797 40 5 IHBBRN CCSc1ccccc1NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222529818 568650524 /nfs/dbraw/zinc/65/05/24/568650524.db2.gz IAHYBVRKRBWFJY-QGZVFWFLSA-N 0 0 437.543 3.890 40 5 IHBBRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222542816 568652158 /nfs/dbraw/zinc/65/21/58/568652158.db2.gz YYMWAMBVIBFTAU-PXNSSMCTSA-N 0 0 447.557 3.942 40 5 IHBBRN CS(=O)(=O)N(CCCC(=O)Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000222685348 568657190 /nfs/dbraw/zinc/65/71/90/568657190.db2.gz LTDRNKLEZBUTLD-UHFFFAOYSA-N 0 0 445.419 3.799 40 5 IHBBRN CC[C@H](C(=O)NCc1cccc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222886261 568736538 /nfs/dbraw/zinc/73/65/38/568736538.db2.gz GZIJXDPHAJUMKI-OAQYLSRUSA-N 0 0 441.509 3.609 40 5 IHBBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000223067284 568778826 /nfs/dbraw/zinc/77/88/26/568778826.db2.gz OLLOPNXNDYWBAI-NHCUHLMSSA-N 0 0 437.525 3.790 40 5 IHBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223243214 568787031 /nfs/dbraw/zinc/78/70/31/568787031.db2.gz SPYJXLNCPQPOGG-QGZVFWFLSA-N 0 0 438.311 3.998 40 5 IHBBRN Cc1ccc(C2=N/C(=C/c3ccc(I)cc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000001435640 568794508 /nfs/dbraw/zinc/79/45/08/568794508.db2.gz GSRCHNJLLRYYCE-RIYZIHGNSA-N 0 0 434.189 3.852 40 5 IHBBRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223331274 568807347 /nfs/dbraw/zinc/80/73/47/568807347.db2.gz JATOWZWYZVRRRW-QGZVFWFLSA-N 0 0 438.311 3.998 40 5 IHBBRN Cc1c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000016250190 568874884 /nfs/dbraw/zinc/87/48/84/568874884.db2.gz LONFDYIYUBETKJ-UHFFFAOYSA-N 0 0 439.493 3.733 40 5 IHBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223632964 568876048 /nfs/dbraw/zinc/87/60/48/568876048.db2.gz PNLLPINRJQUNCG-FQEVSTJZSA-N 0 0 441.528 3.868 40 5 IHBBRN Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000016347815 568877549 /nfs/dbraw/zinc/87/75/49/568877549.db2.gz OMRSCZIKESSCNR-UHFFFAOYSA-N 0 0 438.362 3.793 40 5 IHBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223992235 568880285 /nfs/dbraw/zinc/88/02/85/568880285.db2.gz ZKENZQYLMVNTTM-OAQYLSRUSA-N 0 0 441.528 3.870 40 5 IHBBRN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224293852 568917369 /nfs/dbraw/zinc/91/73/69/568917369.db2.gz FWNNZIOBUHQACQ-UHFFFAOYSA-N 0 0 425.466 3.981 40 5 IHBBRN COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 ZINC000224532096 568937536 /nfs/dbraw/zinc/93/75/36/568937536.db2.gz IUWDDABALNTPJF-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1 ZINC000224538629 568937651 /nfs/dbraw/zinc/93/76/51/568937651.db2.gz OOFAVCFPVJFHDQ-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN COc1ccc(-c2ccc(-c3nnn(CC(=O)Nc4ccccc4[N+](=O)[O-])n3)cc2)cc1 ZINC000007060301 569127853 /nfs/dbraw/zinc/12/78/53/569127853.db2.gz ONYDZBMKMYIYID-UHFFFAOYSA-N 0 0 430.424 3.563 40 5 IHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000139152309 569138865 /nfs/dbraw/zinc/13/88/65/569138865.db2.gz ULQWDEVSJCJVLY-KDURUIRLSA-N 0 0 439.855 3.757 40 5 IHBBRN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2Cl)CC1 ZINC000017097233 569172360 /nfs/dbraw/zinc/17/23/60/569172360.db2.gz RVNGJOYTCWYMMJ-UHFFFAOYSA-N 0 0 430.892 3.868 40 5 IHBBRN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000017097235 569172938 /nfs/dbraw/zinc/17/29/38/569172938.db2.gz OHSQSZQQVXKUHA-UHFFFAOYSA-N 0 0 430.892 3.868 40 5 IHBBRN O=C(NC(=S)Nc1nc2ccccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017095439 569172957 /nfs/dbraw/zinc/17/29/57/569172957.db2.gz JABDICBSNUTPRZ-UHFFFAOYSA-N 0 0 427.511 3.932 40 5 IHBBRN CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224774446 569186339 /nfs/dbraw/zinc/18/63/39/569186339.db2.gz YAVOVGKNLYSYMO-UHFFFAOYSA-N 0 0 447.296 3.968 40 5 IHBBRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000010433906 569224199 /nfs/dbraw/zinc/22/41/99/569224199.db2.gz GIAITYIBBGSMCG-UHFFFAOYSA-N 0 0 425.894 3.742 40 5 IHBBRN CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCC(C)CC1 ZINC000026118840 569242510 /nfs/dbraw/zinc/24/25/10/569242510.db2.gz XCSCVQLULQHHBP-UHFFFAOYSA-N 0 0 449.554 3.990 40 5 IHBBRN O=C(c1cccnc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000034720487 569247489 /nfs/dbraw/zinc/24/74/89/569247489.db2.gz HTOSHVQUQCBNPB-UHFFFAOYSA-N 0 0 429.908 3.596 40 5 IHBBRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000068968091 569250053 /nfs/dbraw/zinc/25/00/53/569250053.db2.gz ZYFFHEGGBUUZFM-UHFFFAOYSA-N 0 0 447.513 3.729 40 5 IHBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)C(=O)N1Cc1ccccc1 ZINC000009210499 569294359 /nfs/dbraw/zinc/29/43/59/569294359.db2.gz UGOQNYOQKXHMQB-VSKRKVRLSA-N 0 0 429.432 3.642 40 5 IHBBRN CCNc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328998686 569321738 /nfs/dbraw/zinc/32/17/38/569321738.db2.gz JULYTHPFIMAHOW-UHFFFAOYSA-N 0 0 433.390 3.838 40 5 IHBBRN O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000019630074 569324085 /nfs/dbraw/zinc/32/40/85/569324085.db2.gz UKNUZQDUKRMHBJ-UHFFFAOYSA-N 0 0 439.541 3.922 40 5 IHBBRN CCOc1cc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc(OCC)c1OCC ZINC000020529110 569371562 /nfs/dbraw/zinc/37/15/62/569371562.db2.gz SWJSNPZYVWZNFK-UHFFFAOYSA-N 0 0 449.416 3.960 40 5 IHBBRN CCOC(=O)C1=C(C)N(C)[C@@]2(CC(C(=O)c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)C1 ZINC000096191959 569386193 /nfs/dbraw/zinc/38/61/93/569386193.db2.gz RZJQXAHSVCTSCE-DEOSSOPVSA-N 0 0 448.479 3.913 40 5 IHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225524997 569403576 /nfs/dbraw/zinc/40/35/76/569403576.db2.gz VTCNYEHBVXTGSB-DEOSSOPVSA-N 0 0 445.519 3.832 40 5 IHBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225659288 569406472 /nfs/dbraw/zinc/40/64/72/569406472.db2.gz SSQQZKUMXNGEBA-MRXNPFEDSA-N 0 0 431.920 3.980 40 5 IHBBRN CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000225731238 569407679 /nfs/dbraw/zinc/40/76/79/569407679.db2.gz CHBQEYNYBKJJDQ-UHFFFAOYSA-N 0 0 427.891 3.835 40 5 IHBBRN O=c1sc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc2n1Cc1ccccc1 ZINC000225742377 569407932 /nfs/dbraw/zinc/40/79/32/569407932.db2.gz BBGNJMNQSPGLPB-UHFFFAOYSA-N 0 0 441.490 3.820 40 5 IHBBRN CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000218163368 569456532 /nfs/dbraw/zinc/45/65/32/569456532.db2.gz ZLWMSONJQPYVCR-UHFFFAOYSA-N 0 0 431.246 3.608 40 5 IHBBRN O=C(/N=c1\sn(-c2ccccc2)c(=O)n1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000003844397 569456598 /nfs/dbraw/zinc/45/65/98/569456598.db2.gz BNOLMNFZJUVGFA-ATJXCDBQSA-N 0 0 433.449 3.731 40 5 IHBBRN CCOC(=O)C1CCN(c2ncnc(Nc3ccc(C(F)(F)F)cc3)c2[N+](=O)[O-])CC1 ZINC000040618861 569510692 /nfs/dbraw/zinc/51/06/92/569510692.db2.gz KUKGOKIDSIFIDN-UHFFFAOYSA-N 0 0 439.394 3.927 40 5 IHBBRN CCCCN1c2nc3ccccc3n2[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)OCC)C1=O ZINC000020638227 520600366 /nfs/dbraw/zinc/60/03/66/520600366.db2.gz RGAYYSIJPFOEBF-VQTJNVASSA-N 0 0 436.468 3.860 40 5 IHBBRN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012640332 526993311 /nfs/dbraw/zinc/99/33/11/526993311.db2.gz RXLIMWSBYKRKJS-UHFFFAOYSA-N 0 0 440.437 3.636 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1c(Cl)cccc1Cl)S(C)(=O)=O ZINC000010337415 556333224 /nfs/dbraw/zinc/33/32/24/556333224.db2.gz AEFQFPCQNPSEAU-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000408728442 556618182 /nfs/dbraw/zinc/61/81/82/556618182.db2.gz MNBQNXKSADPHCH-FGEXJBCWSA-N 0 0 438.439 3.735 40 5 IHBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000409181310 556632288 /nfs/dbraw/zinc/63/22/88/556632288.db2.gz ATRXMFOSLNMFDB-UHFFFAOYSA-N 0 0 447.359 3.661 40 5 IHBBRN COc1ccccc1N1C(=O)c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000409178877 556632823 /nfs/dbraw/zinc/63/28/23/556632823.db2.gz OEZJLFLMOIMQIS-UHFFFAOYSA-N 0 0 432.388 3.761 40 5 IHBBRN CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409209104 556634329 /nfs/dbraw/zinc/63/43/29/556634329.db2.gz FUVYTPOMSMBNTC-BOPFTXTBSA-N 0 0 429.454 3.760 40 5 IHBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714772 556714803 /nfs/dbraw/zinc/71/48/03/556714803.db2.gz XSXVDMAQXNPYAV-INIZCTEOSA-N 0 0 425.894 3.740 40 5 IHBBRN COc1ccc(NC(=O)Cn2nc(COc3ccc(C)cc3)oc2=S)c([N+](=O)[O-])c1 ZINC000409175121 556985212 /nfs/dbraw/zinc/98/52/12/556985212.db2.gz QEESDABEHRMEAQ-UHFFFAOYSA-N 0 0 430.442 3.649 40 5 IHBBRN CCc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 ZINC000220280975 557037515 /nfs/dbraw/zinc/03/75/15/557037515.db2.gz HUISIFLELRIPDD-GFCCVEGCSA-N 0 0 425.894 3.604 40 5 IHBBRN O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000409264389 557038444 /nfs/dbraw/zinc/03/84/44/557038444.db2.gz FMAIEPSZHIFWQJ-UHFFFAOYSA-N 0 0 447.419 3.707 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000409272500 557043272 /nfs/dbraw/zinc/04/32/72/557043272.db2.gz QRVOTEOZIHPWLD-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409340688 557068372 /nfs/dbraw/zinc/06/83/72/557068372.db2.gz AIJIYJIQSONEMD-NTUHNPAUSA-N 0 0 437.355 3.687 40 5 IHBBRN Cc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1Cl ZINC000220364070 557121239 /nfs/dbraw/zinc/12/12/39/557121239.db2.gz RHGIVVAIHOQDOO-ZDUSSCGKSA-N 0 0 425.894 3.658 40 5 IHBBRN Cc1cccc(N2C(=O)[C@@H]3[C@H](c4cccc([N+](=O)[O-])c4)N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000100985356 557209958 /nfs/dbraw/zinc/20/99/58/557209958.db2.gz FNORUDMBNCDKKE-FSSWDIPSSA-N 0 0 429.432 3.954 40 5 IHBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)N1CCCCC1 ZINC000205910527 557226582 /nfs/dbraw/zinc/22/65/82/557226582.db2.gz ICIANGZMNJKLKO-LDADJPATSA-N 0 0 441.465 3.904 40 5 IHBBRN COc1cccc(N2C(=O)[C@@H]3[C@H](c4ccccc4[N+](=O)[O-])N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000101224659 557266100 /nfs/dbraw/zinc/26/61/00/557266100.db2.gz OZVWQMZSXNUHBB-FSSWDIPSSA-N 0 0 445.431 3.655 40 5 IHBBRN CCc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000000835176 557278318 /nfs/dbraw/zinc/27/83/18/557278318.db2.gz BCRNXRMSECXLGM-UHFFFAOYSA-N 0 0 439.493 3.991 40 5 IHBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102733856 557371248 /nfs/dbraw/zinc/37/12/48/557371248.db2.gz MXBNLMMPMIDQOU-BHIFYINESA-N 0 0 429.432 3.954 40 5 IHBBRN COc1ccccc1N1C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)N(c3ccccc3)O[C@@H]2C1=O ZINC000100379040 557401090 /nfs/dbraw/zinc/40/10/90/557401090.db2.gz ZGJQSPINOPAOTC-FSSWDIPSSA-N 0 0 445.431 3.655 40 5 IHBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(OC)ccc2OC)cc1 ZINC000408565278 557417247 /nfs/dbraw/zinc/41/72/47/557417247.db2.gz BMZKDRROZXDXHW-LJQANCHMSA-N 0 0 430.486 3.712 40 5 IHBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(OC)c1OC ZINC000408570273 557417533 /nfs/dbraw/zinc/41/75/33/557417533.db2.gz KRKOLNURCVESLZ-SFHVURJKSA-N 0 0 448.476 3.851 40 5 IHBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F ZINC000408563267 557418645 /nfs/dbraw/zinc/41/86/45/557418645.db2.gz 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IHBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1Cl ZINC000408658443 556613938 /nfs/dbraw/zinc/61/39/38/556613938.db2.gz VAMKJEPYOKXBBL-NSHDSACASA-N 0 0 437.235 3.681 40 5 IHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000408676156 556614284 /nfs/dbraw/zinc/61/42/84/556614284.db2.gz AETKJPDMURMFQU-IAGOWNOFSA-N 0 0 439.855 3.757 40 5 IHBBRN COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c1 ZINC000408671878 556614500 /nfs/dbraw/zinc/61/45/00/556614500.db2.gz LUSBVYYGSLMUTH-UHFFFAOYSA-N 0 0 447.403 3.665 40 5 IHBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000408679416 556614827 /nfs/dbraw/zinc/61/48/27/556614827.db2.gz DYXVCPZKFOTQCJ-NIKGAXFTSA-N 0 0 439.443 3.713 40 5 IHBBRN Cc1c(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cccc1[N+](=O)[O-] ZINC000408704819 556618234 /nfs/dbraw/zinc/61/82/34/556618234.db2.gz TXSOFTUFMPWHHS-UHFFFAOYSA-N 0 0 425.466 3.984 40 5 IHBBRN 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COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O ZINC000409182020 556634082 /nfs/dbraw/zinc/63/40/82/556634082.db2.gz HOKPWRPAOPOSBE-VCHYOVAHSA-N 0 0 441.465 3.895 40 5 IHBBRN CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1O ZINC000409412582 556640003 /nfs/dbraw/zinc/64/00/03/556640003.db2.gz YAQXMHIZQZWAPP-UHFFFAOYSA-N 0 0 433.877 3.963 40 5 IHBBRN O=c1c2cc3c(ccn(C4CCCC4)c3=O)nc2ccn1-c1nc(C2CCCCC2)n[nH]1 ZINC000040399027 556641489 /nfs/dbraw/zinc/64/14/89/556641489.db2.gz WFRODJWBNFEZPB-UHFFFAOYSA-N 0 0 430.512 3.982 40 5 IHBBRN Cc1cc(C)c(OCC(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)c(Br)c1 ZINC000073642506 556706866 /nfs/dbraw/zinc/70/68/66/556706866.db2.gz RBTMCYGJEVDPMP-UHFFFAOYSA-N 0 0 432.274 3.819 40 5 IHBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713941 556714838 /nfs/dbraw/zinc/71/48/38/556714838.db2.gz NLJQXFOKMIPMIG-QGZVFWFLSA-N 0 0 425.894 3.740 40 5 IHBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715944 556715248 /nfs/dbraw/zinc/71/52/48/556715248.db2.gz SGOCPLTWYKDOMT-MRXNPFEDSA-N 0 0 429.857 3.571 40 5 IHBBRN CCOc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000004966687 556826023 /nfs/dbraw/zinc/82/60/23/556826023.db2.gz QOHSIRMHWRDYIF-UHFFFAOYSA-N 0 0 425.485 3.835 40 5 IHBBRN CN(C)c1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408959771 556899755 /nfs/dbraw/zinc/89/97/55/556899755.db2.gz FRBJWEQPANLJIS-STZFKDTASA-N 0 0 431.452 3.544 40 5 IHBBRN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409080163 556947162 /nfs/dbraw/zinc/94/71/62/556947162.db2.gz MFCONNCGJPKALK-UHFFFAOYSA-N 0 0 435.440 3.828 40 5 IHBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000409184497 556990689 /nfs/dbraw/zinc/99/06/89/556990689.db2.gz YOSSUPYENRUCLM-UHFFFAOYSA-N 0 0 447.359 3.661 40 5 IHBBRN Cc1c(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000409250923 557031236 /nfs/dbraw/zinc/03/12/36/557031236.db2.gz NLRISIMPDXACPE-UHFFFAOYSA-N 0 0 443.456 3.876 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1cccc2ccccc21)S(C)(=O)=O ZINC000220379972 557125867 /nfs/dbraw/zinc/12/58/67/557125867.db2.gz YLLWLTIKYOGGAF-HNNXBMFYSA-N 0 0 427.482 3.850 40 5 IHBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)o2)cc1[N+](=O)[O-] ZINC000205910635 557296457 /nfs/dbraw/zinc/29/64/57/557296457.db2.gz WWCHLVUGKYUEEX-WOJGMQOQSA-N 0 0 441.465 3.822 40 5 IHBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000408571788 557419687 /nfs/dbraw/zinc/41/96/87/557419687.db2.gz PNBOSOPJISWGPT-SFHVURJKSA-N 0 0 429.458 3.993 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000408583027 557420449 /nfs/dbraw/zinc/42/04/49/557420449.db2.gz RAXLJRBIIVXCSN-UHFFFAOYSA-N 0 0 449.876 3.685 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCC2 ZINC000408583837 557420536 /nfs/dbraw/zinc/42/05/36/557420536.db2.gz XGJWRCNMZGHXFH-UHFFFAOYSA-N 0 0 428.392 3.632 40 5 IHBBRN C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2/C=C(/Sc2nc3ccccc3o2)C(=O)[O-])CC1 ZINC000408633891 557422964 /nfs/dbraw/zinc/42/29/64/557422964.db2.gz MVIAMCLSEFTRFA-CPNJWEJPSA-N 0 0 440.481 3.706 40 5 IHBBRN Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408663262 557427710 /nfs/dbraw/zinc/42/77/10/557427710.db2.gz HGRIIRIKNKAPOV-UHFFFAOYSA-N 0 0 433.848 3.847 40 5 IHBBRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-] ZINC000014271020 557430304 /nfs/dbraw/zinc/43/03/04/557430304.db2.gz NMMFAEVGRWVOFS-UHFFFAOYSA-N 0 0 442.409 3.898 40 5 IHBBRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000014291153 557434293 /nfs/dbraw/zinc/43/42/93/557434293.db2.gz KLGDSKASLKVMAS-UHFFFAOYSA-N 0 0 430.892 3.805 40 5 IHBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-] ZINC000105394422 557497461 /nfs/dbraw/zinc/49/74/61/557497461.db2.gz KBEILWIQSLPPTH-UHFFFAOYSA-N 0 0 428.313 3.932 40 5 IHBBRN CCCCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000014862231 557507214 /nfs/dbraw/zinc/50/72/14/557507214.db2.gz MRKAOFSFMDHMAT-UHFFFAOYSA-N 0 0 427.457 3.641 40 5 IHBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224741696 557646604 /nfs/dbraw/zinc/64/66/04/557646604.db2.gz WFXSXEGVIWBMLM-HXUWFJFHSA-N 0 0 429.492 3.856 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC1CCCCCCC1)S(C)(=O)=O ZINC000222376474 568639525 /nfs/dbraw/zinc/63/95/25/568639525.db2.gz JQTWXAIZANGNAU-UHFFFAOYSA-N 0 0 425.551 3.679 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O ZINC000222372402 568640165 /nfs/dbraw/zinc/64/01/65/568640165.db2.gz VVEMVZLQZOMFRF-UHFFFAOYSA-N 0 0 425.894 3.742 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222374970 568640465 /nfs/dbraw/zinc/64/04/65/568640465.db2.gz RHOUYPBEENYDQK-UHFFFAOYSA-N 0 0 443.884 3.881 40 5 IHBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222505243 568649310 /nfs/dbraw/zinc/64/93/10/568649310.db2.gz VZCZQSJDVVMIAS-INIZCTEOSA-N 0 0 429.857 3.571 40 5 IHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222495973 568650033 /nfs/dbraw/zinc/65/00/33/568650033.db2.gz PECFSKSLECXROH-QHCPKHFHSA-N 0 0 449.482 3.663 40 5 IHBBRN CC[C@H](C(=O)N[C@@H](C)c1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222540726 568652095 /nfs/dbraw/zinc/65/20/95/568652095.db2.gz OPBNIELTEXJZAB-FXAWDEMLSA-N 0 0 447.557 3.942 40 5 IHBBRN Cc1c(Cl)cccc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222666021 568657757 /nfs/dbraw/zinc/65/77/57/568657757.db2.gz BAVLCPYCUYJLKW-UHFFFAOYSA-N 0 0 425.894 3.742 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000015271393 568752751 /nfs/dbraw/zinc/75/27/51/568752751.db2.gz SVACBUKTTAYKBT-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN CC[C@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223483348 568848612 /nfs/dbraw/zinc/84/86/12/568848612.db2.gz GTDZHQAEWXZFLE-LAUBAEHRSA-N 0 0 447.557 3.942 40 5 IHBBRN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017097228 569172409 /nfs/dbraw/zinc/17/24/09/569172409.db2.gz YITZNDZXQZYCSF-UHFFFAOYSA-N 0 0 430.892 3.937 40 5 IHBBRN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000017100194 569173312 /nfs/dbraw/zinc/17/33/12/569173312.db2.gz PRXKTKYSXDGQAP-UHFFFAOYSA-N 0 0 436.493 3.871 40 5 IHBBRN Cc1c(Cl)cccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017099241 569173832 /nfs/dbraw/zinc/17/38/32/569173832.db2.gz WRFLYSSYRUYUCI-UHFFFAOYSA-N 0 0 434.905 3.520 40 5 IHBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224674830 569179538 /nfs/dbraw/zinc/17/95/38/569179538.db2.gz UUDGTETUEXDNKU-MRXNPFEDSA-N 0 0 427.476 3.753 40 5 IHBBRN C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@H](O)CC[C@]54C)[C@@H]3C[N@@+]2([O-])C1 ZINC000252462366 569184629 /nfs/dbraw/zinc/18/46/29/569184629.db2.gz RTQDXHMAHWNJLQ-IMNHPGOESA-N 0 0 445.644 3.899 40 5 biogenic IHBBRN COC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224786581 569186827 /nfs/dbraw/zinc/18/68/27/569186827.db2.gz HRXJZZQBGOPHNF-UHFFFAOYSA-N 0 0 433.269 3.578 40 5 IHBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000009062458 569219632 /nfs/dbraw/zinc/21/96/32/569219632.db2.gz MEVYPMXVYCVBKA-UHFFFAOYSA-N 0 0 437.359 3.866 40 5 IHBBRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000034930497 569248150 /nfs/dbraw/zinc/24/81/50/569248150.db2.gz AZTOPIOBQBIRKU-UHFFFAOYSA-N 0 0 430.486 3.859 40 5 IHBBRN CC[C@@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225217883 569274018 /nfs/dbraw/zinc/27/40/18/569274018.db2.gz FAVMGVNDEVEMQU-IBGZPJMESA-N 0 0 447.557 3.585 40 5 IHBBRN CCOc1ccc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1[N+](=O)[O-] ZINC000008831782 569291043 /nfs/dbraw/zinc/29/10/43/569291043.db2.gz YJHANEQWQIYARS-UHFFFAOYSA-N 0 0 445.344 3.651 40 5 IHBBRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225380442 569294800 /nfs/dbraw/zinc/29/48/00/569294800.db2.gz OIRVZJKFHMMBGV-CQSZACIVSA-N 0 0 435.933 3.645 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000010324795 569299609 /nfs/dbraw/zinc/29/96/09/569299609.db2.gz WQEZSQUMDKBZIG-ZDUSSCGKSA-N 0 0 425.894 3.658 40 5 IHBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1Br ZINC000019631094 569324164 /nfs/dbraw/zinc/32/41/64/569324164.db2.gz BPPVIPUIJJNARN-UHFFFAOYSA-N 0 0 440.275 3.501 40 5 IHBBRN CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 ZINC000019929226 569332050 /nfs/dbraw/zinc/33/20/50/569332050.db2.gz NAQJTRFTQRCGNQ-UHFFFAOYSA-N 0 0 447.860 3.987 40 5 IHBBRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000020061540 569332882 /nfs/dbraw/zinc/33/28/82/569332882.db2.gz UVLOBFXOUXUITI-UHFFFAOYSA-N 0 0 437.905 3.984 40 5 IHBBRN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000217874539 569454366 /nfs/dbraw/zinc/45/43/66/569454366.db2.gz BZBHZARQNTUOSZ-UHFFFAOYSA-N 0 0 437.637 3.991 40 5 IHBBRN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000218373619 569457254 /nfs/dbraw/zinc/45/72/54/569457254.db2.gz QNORKSVRSFDPIL-CYBMUJFWSA-N 0 0 425.894 3.658 40 5 IHBBRN COc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000032203993 569460661 /nfs/dbraw/zinc/46/06/61/569460661.db2.gz QEUULIJVPRYFIA-UHFFFAOYSA-N 0 0 448.395 3.806 40 5 IHBBRN Cc1cccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)c1 ZINC000032204080 569460668 /nfs/dbraw/zinc/46/06/68/569460668.db2.gz KYYQNGFJCLSJLP-UHFFFAOYSA-N 0 0 432.465 3.764 40 5 IHBBRN O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1)OCc1ccccc1 ZINC000008435364 569464287 /nfs/dbraw/zinc/46/42/87/569464287.db2.gz ZHYYNFHWOZODAU-QGZVFWFLSA-N 0 0 426.454 3.528 40 5 IHBBRN COc1cccc(OC)c1C(=O)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000019640632 569584755 /nfs/dbraw/zinc/58/47/55/569584755.db2.gz JWEKQBFTHAFPQR-UHFFFAOYSA-N 0 0 444.494 3.862 40 5 IHBBRN CCc1ccc(CC)c(CNC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000223338962 193968233 /nfs/dbraw/zinc/96/82/33/193968233.db2.gz JQQGXWHCOICDCJ-NRFANRHFSA-N 0 0 447.557 3.581 40 5 IHBBRN CCCCN1c2nc3ccccc3n2[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)OCC)C1=O ZINC000020638313 520601515 /nfs/dbraw/zinc/60/15/15/520601515.db2.gz IPHGOTITXFZFKG-WOJBJXKFSA-N 0 0 436.468 3.860 40 5 IHBBRN C[C@H]1CC[C@H]2[C@@](C)(O)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@]54C)[C@@H]3C[N@@+]2([O-])C1 ZINC000252694912 524427767 /nfs/dbraw/zinc/42/77/67/524427767.db2.gz RTQDXHMAHWNJLQ-SIDOSKNHSA-N 0 0 445.644 3.899 40 5 biogenic IHBBRN O=C(Cn1cc([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n1)NCc1ccc(Cl)cc1 ZINC000020530662 527371250 /nfs/dbraw/zinc/37/12/50/527371250.db2.gz OJNQMMLRNYKCBV-UHFFFAOYSA-N 0 0 436.859 3.614 40 5 IHBBRN O=c1nc2n(c3[nH]ncc31)[C@@H](c1ccccc1)[C@@H](Sc1ccc([N+](=O)[O-])cc1)CS2 ZINC000032594526 556406577 /nfs/dbraw/zinc/40/65/77/556406577.db2.gz BLPPGPYKUIPODE-IRXDYDNUSA-N 0 0 437.506 3.884 40 5 IHBBRN CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)CC1 ZINC000220000264 556546570 /nfs/dbraw/zinc/54/65/70/556546570.db2.gz ICHPLJASUYORPG-UHFFFAOYSA-N 0 0 437.905 3.921 40 5 IHBBRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1[N+](=O)[O-] ZINC000408653065 556613172 /nfs/dbraw/zinc/61/31/72/556613172.db2.gz HOEGNOSSELVODC-KRWDZBQOSA-N 0 0 447.447 3.591 40 5 IHBBRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000408702662 556618005 /nfs/dbraw/zinc/61/80/05/556618005.db2.gz NFOUYGYHMGNZMV-UHFFFAOYSA-N 0 0 447.513 3.585 40 5 IHBBRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408996900 556626796 /nfs/dbraw/zinc/62/67/96/556626796.db2.gz BKAGMEKTTZBGSQ-IBGZPJMESA-N 0 0 440.452 3.683 40 5 IHBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000409228294 556635436 /nfs/dbraw/zinc/63/54/36/556635436.db2.gz WXFFGKHHRJMVJZ-CXUHLZMHSA-N 0 0 447.856 3.932 40 5 IHBBRN Cc1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000013574989 556697958 /nfs/dbraw/zinc/69/79/58/556697958.db2.gz VUIDHBLRYRHDEZ-UHFFFAOYSA-N 0 0 425.466 3.737 40 5 IHBBRN Cc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000013758116 556728080 /nfs/dbraw/zinc/72/80/80/556728080.db2.gz KQVZEZIPDVBIAL-FKBYEOEOSA-N 0 0 429.432 3.954 40 5 IHBBRN COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)c1 ZINC000013810677 556743779 /nfs/dbraw/zinc/74/37/79/556743779.db2.gz OZVWQMZSXNUHBB-FKBYEOEOSA-N 0 0 445.431 3.655 40 5 IHBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000096769309 556842493 /nfs/dbraw/zinc/84/24/93/556842493.db2.gz BLGFHWFDAHQYGL-UNOMPAQXSA-N 0 0 443.456 3.807 40 5 IHBBRN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000096786952 556842859 /nfs/dbraw/zinc/84/28/59/556842859.db2.gz SCCPQDAGFFQDBE-FKBYEOEOSA-N 0 0 445.431 3.655 40 5 IHBBRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409002651 556915141 /nfs/dbraw/zinc/91/51/41/556915141.db2.gz OWQNPDHRUDPVGS-NRFANRHFSA-N 0 0 432.432 3.882 40 5 IHBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000409176827 556986279 /nfs/dbraw/zinc/98/62/79/556986279.db2.gz YVPGWWNUJIWYPO-UHFFFAOYSA-N 0 0 447.359 3.661 40 5 IHBBRN COc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409188967 556988975 /nfs/dbraw/zinc/98/89/75/556988975.db2.gz LQNZATVXOSEXAN-LFIBNONCSA-N 0 0 434.360 3.760 40 5 IHBBRN O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409340920 557068427 /nfs/dbraw/zinc/06/84/27/557068427.db2.gz CDYJHDARPOHLRY-NTUHNPAUSA-N 0 0 437.355 3.687 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000220381393 557133959 /nfs/dbraw/zinc/13/39/59/557133959.db2.gz KZDMKVKGRMNKQL-LBPRGKRZSA-N 0 0 445.419 3.715 40 5 IHBBRN COc1c(C)cc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1 ZINC000021124622 557136272 /nfs/dbraw/zinc/13/62/72/557136272.db2.gz NCMJWJHYJAZFRH-UHFFFAOYSA-N 0 0 440.206 3.843 40 5 IHBBRN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220403629 557143472 /nfs/dbraw/zinc/14/34/72/557143472.db2.gz ZHMXXZHTAMOBCM-JTQLQIEISA-N 0 0 432.285 3.695 40 5 IHBBRN CC(C)C[C@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 ZINC000220422184 557154426 /nfs/dbraw/zinc/15/44/26/557154426.db2.gz NLYXXLLAQTWRNA-UZLBHIALSA-N 0 0 433.530 3.653 40 5 IHBBRN CC[C@@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000220423782 557154434 /nfs/dbraw/zinc/15/44/34/557154434.db2.gz QWWISWYWVCWLHR-OXJNMPFZSA-N 0 0 433.530 3.634 40 5 IHBBRN Cc1c(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220030991 557277863 /nfs/dbraw/zinc/27/78/63/557277863.db2.gz FDTJCKOGHQFLKO-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 ZINC000220396169 557293959 /nfs/dbraw/zinc/29/39/59/557293959.db2.gz RRPANXKMAIWSCC-SJORKVTESA-N 0 0 433.530 3.552 40 5 IHBBRN Cc1ccc2nc3nc(NC4CCCCC4)c(C(=O)NCc4cccnc4)cc3c(=O)n2c1 ZINC000013568356 557347243 /nfs/dbraw/zinc/34/72/43/557347243.db2.gz OXFOYEGEJWAHQZ-UHFFFAOYSA-N 0 0 442.523 3.621 40 5 IHBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102755059 557379484 /nfs/dbraw/zinc/37/94/84/557379484.db2.gz FKUSPIUAIQCNHS-XPWALMASSA-N 0 0 443.459 3.950 40 5 IHBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1C ZINC000408554669 557416705 /nfs/dbraw/zinc/41/67/05/557416705.db2.gz DFBAYBXMGKZCMM-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN CCOc1c(Cl)cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1Cl ZINC000408564030 557417054 /nfs/dbraw/zinc/41/70/54/557417054.db2.gz CBLXWIRGHAOWMZ-OPURJYLOSA-N 0 0 436.295 3.914 40 5 IHBBRN COc1ccc(NC(=O)CSc2n[nH]c(-c3cc(Cl)ccc3OC)n2)c([N+](=O)[O-])c1 ZINC000408638832 557423935 /nfs/dbraw/zinc/42/39/35/557423935.db2.gz TVBXARRZNSWBQF-UHFFFAOYSA-N 0 0 449.876 3.781 40 5 IHBBRN CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cccc(NC(C)=O)c1 ZINC000408638222 557423944 /nfs/dbraw/zinc/42/39/44/557423944.db2.gz PUBMPTWFJJQOPY-UHFFFAOYSA-N 0 0 425.470 3.807 40 5 IHBBRN CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000408645375 557424955 /nfs/dbraw/zinc/42/49/55/557424955.db2.gz KJKAKHWIWZMRDO-UHFFFAOYSA-N 0 0 427.457 3.756 40 5 IHBBRN O=C(CCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1 ZINC000408665674 557426401 /nfs/dbraw/zinc/42/64/01/557426401.db2.gz VNXOOGAFIZPQKC-UHFFFAOYSA-N 0 0 440.239 3.802 40 5 IHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)c1 ZINC000408661725 557427957 /nfs/dbraw/zinc/42/79/57/557427957.db2.gz CCOLFZLBBJPQQT-UHFFFAOYSA-N 0 0 449.847 3.548 40 5 IHBBRN CC(=O)Nc1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000024522261 557439447 /nfs/dbraw/zinc/43/94/47/557439447.db2.gz HXVZYZINWBACQD-UHFFFAOYSA-N 0 0 440.433 3.605 40 5 IHBBRN C[C@H]1Cc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1C(=O)c1ccccc1 ZINC000028207032 557647242 /nfs/dbraw/zinc/64/72/42/557647242.db2.gz ILJFXBDYJROSCA-HNNXBMFYSA-N 0 0 437.477 3.987 40 5 IHBBRN Cc1cc(Cl)ccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222361728 568638033 /nfs/dbraw/zinc/63/80/33/568638033.db2.gz DGQKLCLRKXKUJT-UHFFFAOYSA-N 0 0 425.894 3.742 40 5 IHBBRN Cc1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl ZINC000222361992 568638234 /nfs/dbraw/zinc/63/82/34/568638234.db2.gz XOVJLWKFRQOFMJ-UHFFFAOYSA-N 0 0 425.894 3.742 40 5 IHBBRN CC[C@@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000222367588 568638368 /nfs/dbraw/zinc/63/83/68/568638368.db2.gz UXELZQUEIMRDND-HXUWFJFHSA-N 0 0 433.530 3.717 40 5 IHBBRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222538331 568651751 /nfs/dbraw/zinc/65/17/51/568651751.db2.gz CBZYEYOFJKHKFV-CQSZACIVSA-N 0 0 435.933 3.645 40 5 IHBBRN CS(=O)(=O)N(CCCC(=O)NCc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000222811646 568662440 /nfs/dbraw/zinc/66/24/40/568662440.db2.gz IEFVSBGVPCLGJM-UHFFFAOYSA-N 0 0 441.509 3.611 40 5 IHBBRN COc1ccc(CCN2C(=S)N[C@@H]3c4cc([N+](=O)[O-])ccc4O[C@@]2(C)[C@H]3C)cc1OC ZINC000034858328 568738429 /nfs/dbraw/zinc/73/84/29/568738429.db2.gz XCYGEZPDFCZRBO-JYYJXNPCSA-N 0 0 443.525 3.831 40 5 IHBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1[N+](=O)[O-] ZINC000001311863 568779502 /nfs/dbraw/zinc/77/95/02/568779502.db2.gz ILZLYWFNUBKALX-UHFFFAOYSA-N 0 0 440.500 3.550 40 5 IHBBRN Cc1cc(C)c([C@@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000223485228 568848684 /nfs/dbraw/zinc/84/86/84/568848684.db2.gz HWAJBDBJKCGYJW-GOSISDBHSA-N 0 0 447.557 3.944 40 5 IHBBRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223677733 568876283 /nfs/dbraw/zinc/87/62/83/568876283.db2.gz LFXXTONYQYXODQ-HXUWFJFHSA-N 0 0 425.529 3.902 40 5 IHBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000224540330 568937653 /nfs/dbraw/zinc/93/76/53/568937653.db2.gz WHZVFDNJQLPMLO-UHFFFAOYSA-N 0 0 429.429 3.716 40 5 IHBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000138778782 569113383 /nfs/dbraw/zinc/11/33/83/569113383.db2.gz LTKWRWPYKKKUJT-QZTJIDSGSA-N 0 0 441.871 3.981 40 5 IHBBRN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000017083393 569172299 /nfs/dbraw/zinc/17/22/99/569172299.db2.gz APNWYJXJEZLMDN-FQEVSTJZSA-N 0 0 447.285 3.965 40 5 IHBBRN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000017099708 569173895 /nfs/dbraw/zinc/17/38/95/569173895.db2.gz PSDIMKAKSDGOOS-UHFFFAOYSA-N 0 0 435.736 3.906 40 5 IHBBRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224646228 569177830 /nfs/dbraw/zinc/17/78/30/569177830.db2.gz YWDBTOXYOSGJBO-INIZCTEOSA-N 0 0 447.532 3.909 40 5 IHBBRN COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224787710 569186890 /nfs/dbraw/zinc/18/68/90/569186890.db2.gz MEIQRNJCTUEBRN-UHFFFAOYSA-N 0 0 440.477 3.939 40 5 IHBBRN CS(=O)(=O)N(Cc1ccc(C(=O)NCC2=CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000224821227 569188925 /nfs/dbraw/zinc/18/89/25/569188925.db2.gz WEIRMSQKVAFKEP-UHFFFAOYSA-N 0 0 443.525 3.791 40 5 IHBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224880273 569190281 /nfs/dbraw/zinc/19/02/81/569190281.db2.gz YQJAXLLMGGSXFM-NRFANRHFSA-N 0 0 441.528 3.726 40 5 IHBBRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000010370881 569224148 /nfs/dbraw/zinc/22/41/48/569224148.db2.gz GZUTYJPSTJFONV-CYBMUJFWSA-N 0 0 425.894 3.658 40 5 IHBBRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1 ZINC000015439221 569225487 /nfs/dbraw/zinc/22/54/87/569225487.db2.gz GJTQRLGGWUUBCK-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN CCOc1ccccc1-c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000021545449 569241638 /nfs/dbraw/zinc/24/16/38/569241638.db2.gz QCNKKJDAWFFNQU-UHFFFAOYSA-N 0 0 430.442 3.783 40 5 IHBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(C(=O)OCc2ccccc2[N+](=O)[O-])n1 ZINC000025117027 569242050 /nfs/dbraw/zinc/24/20/50/569242050.db2.gz BGTYSEHJSOMXQD-UHFFFAOYSA-N 0 0 437.364 3.612 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2C)n1C ZINC000033662436 569245612 /nfs/dbraw/zinc/24/56/12/569245612.db2.gz CWSTWXHOXDHLCA-UHFFFAOYSA-N 0 0 427.486 3.650 40 5 IHBBRN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000033740033 569246328 /nfs/dbraw/zinc/24/63/28/569246328.db2.gz YEHZTAJNILNVLN-UHFFFAOYSA-N 0 0 428.470 3.769 40 5 IHBBRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1[N+](=O)[O-] ZINC000008831276 569290906 /nfs/dbraw/zinc/29/09/06/569290906.db2.gz XIIIFGWAERTNJA-UHFFFAOYSA-N 0 0 442.409 3.898 40 5 IHBBRN COc1c(Cl)cc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl ZINC000008902380 569292095 /nfs/dbraw/zinc/29/20/95/569292095.db2.gz LWIZNCQMNFYIRY-UHFFFAOYSA-N 0 0 426.256 3.999 40 5 IHBBRN O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000009057068 569293250 /nfs/dbraw/zinc/29/32/50/569293250.db2.gz GPOAERKJYFHAHB-UHFFFAOYSA-N 0 0 436.247 3.533 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010314911 569299611 /nfs/dbraw/zinc/29/96/11/569299611.db2.gz SCECVCSFUJWREQ-UHFFFAOYSA-N 0 0 427.438 3.657 40 5 IHBBRN O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)c1ccco1 ZINC000010722232 569300788 /nfs/dbraw/zinc/30/07/88/569300788.db2.gz SFCCBTLQLFEGQX-UHFFFAOYSA-N 0 0 436.424 3.529 40 5 IHBBRN CC[C@@H](C(=O)N[C@H](C)c1ccc(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260512978 569307171 /nfs/dbraw/zinc/30/71/71/569307171.db2.gz YYMWAMBVIBFTAU-XLIONFOSSA-N 0 0 447.557 3.942 40 5 IHBBRN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000032126825 569460389 /nfs/dbraw/zinc/46/03/89/569460389.db2.gz AQBBWDSEWBNDPJ-UHFFFAOYSA-N 0 0 430.892 3.805 40 5 IHBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000008757442 569473391 /nfs/dbraw/zinc/47/33/91/569473391.db2.gz JZKWMYLBDZSCOC-VSKRKVRLSA-N 0 0 429.432 3.642 40 5 IHBBRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)OCC)C1=O ZINC000020638317 520600474 /nfs/dbraw/zinc/60/04/74/520600474.db2.gz IPHGOTITXFZFKG-PMACEKPBSA-N 0 0 436.468 3.860 40 5 IHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12 ZINC000012491083 522977918 /nfs/dbraw/zinc/97/79/18/522977918.db2.gz ZAQUIIINNAVJLT-UHFFFAOYSA-N 0 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COc1ccc(-c2nnc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)o2)cc1OC ZINC000408713912 556617757 /nfs/dbraw/zinc/61/77/57/556617757.db2.gz COHUGYFZFAGQBI-UHFFFAOYSA-N 0 0 432.820 3.588 40 5 IHBBRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000408702166 556617989 /nfs/dbraw/zinc/61/79/89/556617989.db2.gz KKAXBQFUCCYOKF-UHFFFAOYSA-N 0 0 447.513 3.585 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2C)C1=O ZINC000409164172 556631917 /nfs/dbraw/zinc/63/19/17/556631917.db2.gz DLXNLYJMKFIEKX-LICLKQGHSA-N 0 0 427.438 3.587 40 5 IHBBRN CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000409202727 556634210 /nfs/dbraw/zinc/63/42/10/556634210.db2.gz RQFMJWZHMADUCK-BOPFTXTBSA-N 0 0 429.454 3.807 40 5 IHBBRN CCCCOC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O ZINC000409205344 556634224 /nfs/dbraw/zinc/63/42/24/556634224.db2.gz PWALNXJHFQIMME-ATVHPVEESA-N 0 0 429.454 3.765 40 5 IHBBRN CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409215814 556634922 /nfs/dbraw/zinc/63/49/22/556634922.db2.gz FNFOOPCMHARSIR-BOPFTXTBSA-N 0 0 429.454 3.807 40 5 IHBBRN CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409228761 556635552 /nfs/dbraw/zinc/63/55/52/556635552.db2.gz DRIDWVLMFAIILB-LDADJPATSA-N 0 0 425.441 3.875 40 5 IHBBRN O=C(CN1C(=O)SC(=Cc2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000409362905 556638461 /nfs/dbraw/zinc/63/84/61/556638461.db2.gz SZWQTUSHSNYDJN-WQRHYEAKSA-N 0 0 444.490 3.598 40 5 IHBBRN COc1ccc(N2O[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000013563613 556697432 /nfs/dbraw/zinc/69/74/32/556697432.db2.gz FZKPBSNVJMQEFD-BHIFYINESA-N 0 0 445.431 3.655 40 5 IHBBRN Cc1c(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220032815 556810485 /nfs/dbraw/zinc/81/04/85/556810485.db2.gz QXLVHVQQMUECNV-INIZCTEOSA-N 0 0 447.557 3.844 40 5 IHBBRN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409000385 556914333 /nfs/dbraw/zinc/91/43/33/556914333.db2.gz WCALBJLZTRMOME-YWZLYKJASA-N 0 0 428.441 3.662 40 5 IHBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409067977 556942679 /nfs/dbraw/zinc/94/26/79/556942679.db2.gz RYOUDYPXBONGSW-FHXOWUIVSA-N 0 0 442.449 3.772 40 5 IHBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000409151913 556978391 /nfs/dbraw/zinc/97/83/91/556978391.db2.gz CPWXVYTYPKLHJC-CXUHLZMHSA-N 0 0 429.479 3.992 40 5 IHBBRN CCN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409171396 556983439 /nfs/dbraw/zinc/98/34/39/556983439.db2.gz ALMBBFHDSLFMHP-MHWRWJLKSA-N 0 0 446.257 3.849 40 5 IHBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000409177070 556986408 /nfs/dbraw/zinc/98/64/08/556986408.db2.gz CCSVHSWDNKJJIV-UHFFFAOYSA-N 0 0 447.359 3.661 40 5 IHBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000409217863 557012387 /nfs/dbraw/zinc/01/23/87/557012387.db2.gz XRJDYNGJIPHGSK-XSHGTHSTSA-N 0 0 443.275 3.735 40 5 IHBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1 ZINC000409303142 557055890 /nfs/dbraw/zinc/05/58/90/557055890.db2.gz LRHRZUAXXHOZGK-UHFFFAOYSA-N 0 0 447.419 3.707 40 5 IHBBRN CCSc1ccccc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220396754 557135877 /nfs/dbraw/zinc/13/58/77/557135877.db2.gz VQULLISVDRCBLT-CQSZACIVSA-N 0 0 437.543 3.808 40 5 IHBBRN Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-] ZINC000057327938 557241378 /nfs/dbraw/zinc/24/13/78/557241378.db2.gz YAZGPVJWDAUUEF-UHFFFAOYSA-N 0 0 447.476 3.911 40 5 IHBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000101105894 557255224 /nfs/dbraw/zinc/25/52/24/557255224.db2.gz TVNKGLFFGUBVSO-ACRUOGEOSA-N 0 0 433.395 3.785 40 5 IHBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000101105891 557255310 /nfs/dbraw/zinc/25/53/10/557255310.db2.gz TVNKGLFFGUBVSO-HBMCJLEFSA-N 0 0 433.395 3.785 40 5 IHBBRN COc1cc(OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000219822379 557268845 /nfs/dbraw/zinc/26/88/45/557268845.db2.gz DDIKROMMNUZUDO-UHFFFAOYSA-N 0 0 449.463 3.593 40 5 IHBBRN CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000014091737 557301161 /nfs/dbraw/zinc/30/11/61/557301161.db2.gz BCJWEDFXWZLHOU-UHFFFAOYSA-N 0 0 427.486 3.536 40 5 IHBBRN CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000014273423 557332025 /nfs/dbraw/zinc/33/20/25/557332025.db2.gz RJONTITUGKWYDG-RMKNXTFCSA-N 0 0 442.903 3.959 40 5 IHBBRN Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nn12 ZINC000014273214 557332084 /nfs/dbraw/zinc/33/20/84/557332084.db2.gz HWUDRIVNNAAGHJ-UHFFFAOYSA-N 0 0 449.496 3.922 40 5 IHBBRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000408574919 557420168 /nfs/dbraw/zinc/42/01/68/557420168.db2.gz MQNNTBDEASJVTJ-UHFFFAOYSA-N 0 0 449.463 3.837 40 5 IHBBRN COC(=O)c1ccccc1NC(=O)COc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 ZINC000408602182 557420826 /nfs/dbraw/zinc/42/08/26/557420826.db2.gz AYEXREBKNCVLLW-FMIVXFBMSA-N 0 0 437.408 3.866 40 5 IHBBRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(I)c1OC ZINC000408625059 557422525 /nfs/dbraw/zinc/42/25/25/557422525.db2.gz WRAFQGPOBHTINH-UHFFFAOYSA-N 0 0 442.209 3.777 40 5 IHBBRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c(C)cc1Br ZINC000408643296 557424781 /nfs/dbraw/zinc/42/47/81/557424781.db2.gz RCNFKZOUJWPANG-CYBMUJFWSA-N 0 0 432.274 3.966 40 5 IHBBRN COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408646498 557425033 /nfs/dbraw/zinc/42/50/33/557425033.db2.gz OWTXCYKOXFJITO-UHFFFAOYSA-N 0 0 449.847 3.548 40 5 IHBBRN COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000408666369 557426625 /nfs/dbraw/zinc/42/66/25/557426625.db2.gz YZTGZMYIDLOHGZ-UHFFFAOYSA-N 0 0 449.847 3.548 40 5 IHBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)N1CCCCC1 ZINC000106756392 557532111 /nfs/dbraw/zinc/53/21/11/557532111.db2.gz LASCYAFTAOLNIK-AUWJEWJLSA-N 0 0 444.296 3.950 40 5 IHBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)N1CCCC1 ZINC000106769762 557532406 /nfs/dbraw/zinc/53/24/06/557532406.db2.gz TZJWVGCFKYTPHF-MLPAPPSSSA-N 0 0 430.269 3.560 40 5 IHBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(C)=O ZINC000106745352 557532535 /nfs/dbraw/zinc/53/25/35/557532535.db2.gz CTEHEUCWYLHBIQ-ZDLGFXPLSA-N 0 0 428.422 3.765 40 5 IHBBRN COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000033507472 557808905 /nfs/dbraw/zinc/80/89/05/557808905.db2.gz RTRLXJKMBBKUOG-UHFFFAOYSA-N 0 0 425.422 3.768 40 5 IHBBRN O=[N+]([O-])c1ccc(C(S(=O)(=O)Cc2ccccc2)S(=O)(=O)Cc2ccccc2)cc1 ZINC000001566676 562923006 /nfs/dbraw/zinc/92/30/06/562923006.db2.gz NIYNKYLYIQJQTM-UHFFFAOYSA-N 0 0 445.518 3.823 40 5 IHBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222504664 568649335 /nfs/dbraw/zinc/64/93/35/568649335.db2.gz PRFCWIUFKLRECT-UWJYYQICSA-N 0 0 441.528 3.868 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 ZINC000222533147 568651522 /nfs/dbraw/zinc/65/15/22/568651522.db2.gz KLJUIXKJNOCRMT-UHFFFAOYSA-N 0 0 425.466 3.981 40 5 IHBBRN CC[C@@H](C(=O)Nc1cccc(SC)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222536592 568651698 /nfs/dbraw/zinc/65/16/98/568651698.db2.gz PEMYMBLJZPNOFG-KRWDZBQOSA-N 0 0 437.543 3.808 40 5 IHBBRN CC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222536763 568651741 /nfs/dbraw/zinc/65/17/41/568651741.db2.gz FKNNKOOZKPYTIJ-INIZCTEOSA-N 0 0 443.884 3.879 40 5 IHBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222567845 568653220 /nfs/dbraw/zinc/65/32/20/568653220.db2.gz STONGXNCYVAUEW-WIYYLYMNSA-N 0 0 425.529 3.902 40 5 IHBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222567913 568653247 /nfs/dbraw/zinc/65/32/47/568653247.db2.gz STONGXNCYVAUEW-GHTZIAJQSA-N 0 0 425.529 3.902 40 5 IHBBRN CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223045687 568776510 /nfs/dbraw/zinc/77/65/10/568776510.db2.gz VCBTUGRZFRVRIQ-OAQYLSRUSA-N 0 0 445.541 3.507 40 5 IHBBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000223067427 568778790 /nfs/dbraw/zinc/77/87/90/568778790.db2.gz GHDBVTOGHUKKIN-RTWAWAEBSA-N 0 0 437.525 3.790 40 5 IHBBRN O=C1CCN(S(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)[C@H]2CCCC[C@H]12 ZINC000004126926 568780860 /nfs/dbraw/zinc/78/08/60/568780860.db2.gz MZANFQNQIXOJOX-PMACEKPBSA-N 0 0 430.482 3.909 40 5 IHBBRN CCc1ccc([C@H](C)NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000223465478 568836240 /nfs/dbraw/zinc/83/62/40/568836240.db2.gz BBKWIBIAVFVGFZ-OXJNMPFZSA-N 0 0 447.557 3.888 40 5 IHBBRN Cc1ccc(S[C@]2(CN3CCOCC3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1 ZINC000016310866 568876711 /nfs/dbraw/zinc/87/67/11/568876711.db2.gz CSVMMOHSTIRHJE-JOCHJYFZSA-N 0 0 428.510 3.650 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 ZINC000223938401 568879819 /nfs/dbraw/zinc/87/98/19/568879819.db2.gz GMAMDUAJHHOPFM-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1N1C(=O)c2ccccc2C1=O ZINC000017097435 569172935 /nfs/dbraw/zinc/17/29/35/569172935.db2.gz YSMNGTTXVASLPD-UHFFFAOYSA-N 0 0 431.404 3.965 40 5 IHBBRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC000015439024 569225522 /nfs/dbraw/zinc/22/55/22/569225522.db2.gz DLYXMWSMBQMUGR-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C(=O)N1CCCC1 ZINC000026115198 569242352 /nfs/dbraw/zinc/24/23/52/569242352.db2.gz LDTVRTKWGGJXHF-UHFFFAOYSA-N 0 0 435.527 3.662 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C ZINC000034688214 569247193 /nfs/dbraw/zinc/24/71/93/569247193.db2.gz DDEXFTNWWIDGGN-IBGZPJMESA-N 0 0 429.473 3.952 40 5 IHBBRN Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000108052375 569252173 /nfs/dbraw/zinc/25/21/73/569252173.db2.gz IFRCKBJSXDCVMY-JTQLQIEISA-N 0 0 432.285 3.516 40 5 IHBBRN CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000009043154 569293152 /nfs/dbraw/zinc/29/31/52/569293152.db2.gz AVKPDODUWHDKSE-DOIPELPJSA-N 0 0 445.475 3.725 40 5 IHBBRN Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@@H]3C2=O)c1 ZINC000009216376 569294365 /nfs/dbraw/zinc/29/43/65/569294365.db2.gz KVWRTGLPXOMTMP-BDTNDASRSA-N 0 0 429.432 3.954 40 5 IHBBRN COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009209925 569294389 /nfs/dbraw/zinc/29/43/89/569294389.db2.gz WJWDXWPFSSJJII-OYDLWJJNSA-N 0 0 439.512 3.910 40 5 IHBBRN COc1cc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc(OC)c1OC ZINC000010128006 569299376 /nfs/dbraw/zinc/29/93/76/569299376.db2.gz QPXRWBFJRPLPRF-UHFFFAOYSA-N 0 0 439.877 3.709 40 5 IHBBRN Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000260920115 569312495 /nfs/dbraw/zinc/31/24/95/569312495.db2.gz FOQCTLYXVFVKHM-IRXDYDNUSA-N 0 0 433.530 3.552 40 5 IHBBRN CCC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000019499734 569320202 /nfs/dbraw/zinc/32/02/02/569320202.db2.gz CZRLCKMMEREIRD-LJQANCHMSA-N 0 0 441.561 3.700 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C ZINC000020061795 569332854 /nfs/dbraw/zinc/33/28/54/569332854.db2.gz QBMJCHKLWIRHSE-UHFFFAOYSA-N 0 0 447.513 3.585 40 5 IHBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225644752 569406366 /nfs/dbraw/zinc/40/63/66/569406366.db2.gz SUPGPICOCHSPRA-OXQOHEQNSA-N 0 0 429.492 3.999 40 5 IHBBRN O=C(CSc1nnc(-n2cccc2)n1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000028534845 569410929 /nfs/dbraw/zinc/41/09/29/569410929.db2.gz BAHPJNJGGHPNAQ-UHFFFAOYSA-N 0 0 434.481 3.756 40 5 IHBBRN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2ccc(O)cc2)cc([N+](=O)[O-])c1 ZINC000002761128 569420556 /nfs/dbraw/zinc/42/05/56/569420556.db2.gz CBMYTZXNDAGOLW-UHFFFAOYSA-N 0 0 447.791 3.798 40 5 IHBBRN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000003118079 569440486 /nfs/dbraw/zinc/44/04/86/569440486.db2.gz WZPLRQDZCDQLTK-UHFFFAOYSA-N 0 0 439.482 3.629 40 5 IHBBRN CN1CCN(c2ccc(C(=O)N[C@@]34C[C@H]5C[C@@](C)(C3)C[C@](C)(C5)C4)cc2[N+](=O)[O-])CC1 ZINC000217943269 569455087 /nfs/dbraw/zinc/45/50/87/569455087.db2.gz USSACIZHIQBDOP-XSAWPFNUSA-N 0 0 426.561 3.825 40 5 IHBBRN CN1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2OCCCN2Cc2ccc(Cl)cc2)CC1 ZINC000059490036 569461571 /nfs/dbraw/zinc/46/15/71/569461571.db2.gz CJVZYHBJARLJRM-JOCHJYFZSA-N 0 0 430.936 3.921 40 5 IHBBRN COc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000059502198 569461616 /nfs/dbraw/zinc/46/16/16/569461616.db2.gz QQWZLMILQVTYIJ-UHFFFAOYSA-N 0 0 431.404 3.504 40 5 IHBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223320225 193966439 /nfs/dbraw/zinc/96/64/39/193966439.db2.gz XRYVWVRGNHPBNC-VLCRHTCISA-N 0 0 449.536 3.932 40 5 IHBBRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000020571843 525081289 /nfs/dbraw/zinc/08/12/89/525081289.db2.gz OCWYIIUNOJMFHK-UHFFFAOYSA-N 0 0 427.438 3.657 40 5 IHBBRN Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000020489036 525857701 /nfs/dbraw/zinc/85/77/01/525857701.db2.gz PJBHDXHSDZXUQS-IBGZPJMESA-N 0 0 445.541 3.516 40 5 IHBBRN Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)c1 ZINC000408596058 555962832 /nfs/dbraw/zinc/96/28/32/555962832.db2.gz NSVGPFLAQXKUTG-UHFFFAOYSA-N 0 0 441.513 3.958 40 5 IHBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000408653472 556613142 /nfs/dbraw/zinc/61/31/42/556613142.db2.gz PXFOHTRRHIBAMI-LBPRGKRZSA-N 0 0 437.235 3.681 40 5 IHBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408685728 556616892 /nfs/dbraw/zinc/61/68/92/556616892.db2.gz QEGOTGBRWRYOIB-OALUTQOASA-N 0 0 437.427 3.633 40 5 IHBBRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000409025700 556628414 /nfs/dbraw/zinc/62/84/14/556628414.db2.gz YXHHKUDZWJZQEM-UHFFFAOYSA-N 0 0 425.466 3.813 40 5 IHBBRN CCOc1cc2c(cc1/C=C1/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C1=O)OCO2 ZINC000409100292 556630229 /nfs/dbraw/zinc/63/02/29/556630229.db2.gz UYBVDLHQZNDZQN-QGMBQPNBSA-N 0 0 428.422 3.959 40 5 IHBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000409351000 556637933 /nfs/dbraw/zinc/63/79/33/556637933.db2.gz VHUUKZLFNNCJMU-SXGWCWSVSA-N 0 0 447.856 3.932 40 5 IHBBRN Cc1c(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220025086 556645031 /nfs/dbraw/zinc/64/50/31/556645031.db2.gz AHQBDCXSCVDHIW-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c1 ZINC000013688252 556711430 /nfs/dbraw/zinc/71/14/30/556711430.db2.gz FNORUDMBNCDKKE-FKBYEOEOSA-N 0 0 429.432 3.954 40 5 IHBBRN Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)cc1 ZINC000001363188 556789000 /nfs/dbraw/zinc/78/90/00/556789000.db2.gz ZVBZLKSHXHNZCK-MRXNPFEDSA-N 0 0 428.470 3.522 40 5 IHBBRN COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000409012448 556918641 /nfs/dbraw/zinc/91/86/41/556918641.db2.gz IDSSTBOZTACZJR-UHFFFAOYSA-N 0 0 428.470 3.893 40 5 IHBBRN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409129143 556967021 /nfs/dbraw/zinc/96/70/21/556967021.db2.gz UOKZHCNDQQFZOP-UHFFFAOYSA-N 0 0 427.486 3.921 40 5 IHBBRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000409141504 556972647 /nfs/dbraw/zinc/97/26/47/556972647.db2.gz KBIABZNIIKKAGZ-UHFFFAOYSA-N 0 0 433.877 3.783 40 5 IHBBRN CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000409202515 557001724 /nfs/dbraw/zinc/00/17/24/557001724.db2.gz RLGUMCMXSMUIAV-JYRVWZFOSA-N 0 0 443.275 3.737 40 5 IHBBRN O=C(Oc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000409272393 557043093 /nfs/dbraw/zinc/04/30/93/557043093.db2.gz PXSQKYLOHKOFKV-UHFFFAOYSA-N 0 0 432.348 3.626 40 5 IHBBRN COc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409347781 557075901 /nfs/dbraw/zinc/07/59/01/557075901.db2.gz QVLZJMGBCCIXLM-VCHYOVAHSA-N 0 0 428.422 3.531 40 5 IHBBRN O=C(CN1C(=O)SC(=Cc2cc3ccccc3oc2=O)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409353663 557080562 /nfs/dbraw/zinc/08/05/62/557080562.db2.gz PGNJCJSVESERAI-VCHYOVAHSA-N 0 0 436.401 3.620 40 5 IHBBRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)c(OC)c1 ZINC000021571364 557151572 /nfs/dbraw/zinc/15/15/72/557151572.db2.gz KRZXYGBZZFNXLA-UHFFFAOYSA-N 0 0 430.442 3.701 40 5 IHBBRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000013083891 557276946 /nfs/dbraw/zinc/27/69/46/557276946.db2.gz UNQHODJQRLPPLP-CQSZACIVSA-N 0 0 448.888 3.867 40 5 IHBBRN C[C@H]1CC[C@H]2[C@](C)(O)[C@@H]3CC[C@H]4[C@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N+]2([O-])C1 ZINC000103633001 557317394 /nfs/dbraw/zinc/31/73/94/557317394.db2.gz ZSDBUJBJWGVNKA-NSKPQKTOSA-N 0 0 446.652 3.790 40 5 IHBBRN Cc1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000014269579 557332383 /nfs/dbraw/zinc/33/23/83/557332383.db2.gz UMTTVQKUQIIWDN-UHFFFAOYSA-N 0 0 443.485 3.929 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)n[nH]1 ZINC000408582031 557420564 /nfs/dbraw/zinc/42/05/64/557420564.db2.gz LEYNWWQXQGQSSL-UHFFFAOYSA-N 0 0 443.529 3.920 40 5 IHBBRN O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3cc(Br)ccc3O)n2)c2nonc21 ZINC000408603383 557421102 /nfs/dbraw/zinc/42/11/02/557421102.db2.gz GHABSVGHGYEFEW-UHFFFAOYSA-N 0 0 435.219 3.535 40 5 IHBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1cccc(NC(C)=O)c1 ZINC000408638562 557423907 /nfs/dbraw/zinc/42/39/07/557423907.db2.gz RXFWLZAAMNPHON-UHFFFAOYSA-N 0 0 428.430 3.891 40 5 IHBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408639969 557424237 /nfs/dbraw/zinc/42/42/37/557424237.db2.gz HQMXAIFEAOSKBN-QGZVFWFLSA-N 0 0 439.468 3.708 40 5 IHBBRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1Br ZINC000408642294 557424439 /nfs/dbraw/zinc/42/44/39/557424439.db2.gz NWTVXZFBHPTTGP-CYBMUJFWSA-N 0 0 432.274 3.966 40 5 IHBBRN CSc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1 ZINC000223066617 557424737 /nfs/dbraw/zinc/42/47/37/557424737.db2.gz QEICAPBAIRHHOW-VBHSOAQHSA-N 0 0 436.541 3.538 40 5 IHBBRN COc1ccc(NC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1 ZINC000408667651 557426414 /nfs/dbraw/zinc/42/64/14/557426414.db2.gz CBNWGTIKGRYBAT-UHFFFAOYSA-N 0 0 447.403 3.665 40 5 IHBBRN Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nn12 ZINC000014273220 557432806 /nfs/dbraw/zinc/43/28/06/557432806.db2.gz PBQSFIZOPNOPRW-UHFFFAOYSA-N 0 0 449.496 3.922 40 5 IHBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1[N+](=O)[O-] ZINC000103933330 557442771 /nfs/dbraw/zinc/44/27/71/557442771.db2.gz AIIMVGFDGJAWJX-UHFFFAOYSA-N 0 0 428.313 3.932 40 5 IHBBRN Cc1nc2n(c(=O)c1CC[N@@+]1([O-])CC[C@H](c3noc4cc(F)ccc43)CC1)CCCC2 ZINC000252584763 568639391 /nfs/dbraw/zinc/63/93/91/568639391.db2.gz CQQKMRDMDXQQRT-JIBAXXMISA-N 0 0 426.492 3.603 40 5 IHBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222504601 568649326 /nfs/dbraw/zinc/64/93/26/568649326.db2.gz PRFCWIUFKLRECT-UTKZUKDTSA-N 0 0 441.528 3.868 40 5 IHBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222495907 568649994 /nfs/dbraw/zinc/64/99/94/568649994.db2.gz PECFSKSLECXROH-HSZRJFAPSA-N 0 0 449.482 3.663 40 5 IHBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222491877 568650028 /nfs/dbraw/zinc/65/00/28/568650028.db2.gz GOAIOWIXBLYGCR-CQSZACIVSA-N 0 0 435.933 3.645 40 5 IHBBRN CC[C@@H](C(=O)Nc1ccc(OC(C)C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222524737 568650262 /nfs/dbraw/zinc/65/02/62/568650262.db2.gz PKRWIKQODOBOTO-IBGZPJMESA-N 0 0 435.502 3.565 40 5 IHBBRN CC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222521588 568650279 /nfs/dbraw/zinc/65/02/79/568650279.db2.gz POYGDJZQMNWWQK-INIZCTEOSA-N 0 0 429.857 3.571 40 5 IHBBRN CC[C@@H](C(=O)Nc1cccc(OC(C)C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222524884 568650300 /nfs/dbraw/zinc/65/03/00/568650300.db2.gz QSRRVTVKYJTEBA-IBGZPJMESA-N 0 0 435.502 3.565 40 5 IHBBRN CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222532514 568651438 /nfs/dbraw/zinc/65/14/38/568651438.db2.gz UMZPWBVTWBKIEZ-MRXNPFEDSA-N 0 0 425.894 3.740 40 5 IHBBRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000005945933 568739133 /nfs/dbraw/zinc/73/91/33/568739133.db2.gz XWMXGVHKSBJGLV-UHFFFAOYSA-N 0 0 441.513 3.670 40 5 IHBBRN CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223045739 568776478 /nfs/dbraw/zinc/77/64/78/568776478.db2.gz VCBTUGRZFRVRIQ-NRFANRHFSA-N 0 0 445.541 3.507 40 5 IHBBRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223238331 568786545 /nfs/dbraw/zinc/78/65/45/568786545.db2.gz SHTKQKWLSVWHPB-YCRPNKLZSA-N 0 0 445.541 3.506 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000223265450 568790491 /nfs/dbraw/zinc/79/04/91/568790491.db2.gz FMKDTPWKFBWVBB-UHFFFAOYSA-N 0 0 437.477 3.907 40 5 IHBBRN O=C(c1ccc(F)c([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000059462035 568800398 /nfs/dbraw/zinc/80/03/98/568800398.db2.gz KROMIEJUUBBMIF-UHFFFAOYSA-N 0 0 442.325 3.623 40 5 IHBBRN CCOC(=O)c1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccc(OC)cc2)c1C ZINC000001455190 568817999 /nfs/dbraw/zinc/81/79/99/568817999.db2.gz FRXYBTXKDUSNAX-DQRAZIAOSA-N 0 0 441.465 3.682 40 5 IHBBRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223595373 568875743 /nfs/dbraw/zinc/87/57/43/568875743.db2.gz GVBVXVDHADGAHG-KRWDZBQOSA-N 0 0 429.542 3.690 40 5 IHBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223639915 568875901 /nfs/dbraw/zinc/87/59/01/568875901.db2.gz NUQDEAYCJNKJJU-QGZVFWFLSA-N 0 0 429.542 3.690 40 5 IHBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223992284 568880282 /nfs/dbraw/zinc/88/02/82/568880282.db2.gz ZKENZQYLMVNTTM-NRFANRHFSA-N 0 0 441.528 3.870 40 5 IHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1OC ZINC000006878388 569094692 /nfs/dbraw/zinc/09/46/92/569094692.db2.gz OLJPCMNBBRAXRS-UHFFFAOYSA-N 0 0 427.486 3.921 40 5 IHBBRN CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccccc1[N+](=O)[O-])CCCC3 ZINC000006878232 569094716 /nfs/dbraw/zinc/09/47/16/569094716.db2.gz PWFDPKZFLWZAHJ-UHFFFAOYSA-N 0 0 444.538 3.996 40 5 IHBBRN COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000139074924 569138201 /nfs/dbraw/zinc/13/82/01/569138201.db2.gz SKEUYYNMPHYIDI-UHFFFAOYSA-N 0 0 448.431 3.938 40 5 IHBBRN CCOc1ccc(C(=O)Nc2ccc(I)cc2F)cc1[N+](=O)[O-] ZINC000017096738 569172394 /nfs/dbraw/zinc/17/23/94/569172394.db2.gz IXCFOWSAPZIISF-UHFFFAOYSA-N 0 0 430.173 3.990 40 5 IHBBRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000017095364 569172701 /nfs/dbraw/zinc/17/27/01/569172701.db2.gz QBNMCCKZWQLGQB-UHFFFAOYSA-N 0 0 427.457 3.641 40 5 IHBBRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2c(C)c(C)ccc2[N+](=O)[O-])c(F)c1F ZINC000017097429 569172971 /nfs/dbraw/zinc/17/29/71/569172971.db2.gz XTLFSQAPXGVIPH-UHFFFAOYSA-N 0 0 431.367 3.903 40 5 IHBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224848947 569189318 /nfs/dbraw/zinc/18/93/18/569189318.db2.gz YFAJBVHPIPGBGO-INIZCTEOSA-N 0 0 447.532 3.911 40 5 IHBBRN CCCC[C@@H](CC)CNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224853986 569190011 /nfs/dbraw/zinc/19/00/11/569190011.db2.gz RVJJKBDXNHBARV-QGZVFWFLSA-N 0 0 427.567 3.782 40 5 IHBBRN COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000214892487 569190662 /nfs/dbraw/zinc/19/06/62/569190662.db2.gz OQIIZVNUUUUABQ-GIJQJNRQSA-N 0 0 430.438 3.857 40 5 IHBBRN COC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225022417 569213635 /nfs/dbraw/zinc/21/36/35/569213635.db2.gz LJFLVXWFALXPHQ-UHFFFAOYSA-N 0 0 442.449 3.755 40 5 IHBBRN Cc1ccc(C(=O)NCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000010040048 569220824 /nfs/dbraw/zinc/22/08/24/569220824.db2.gz AGZORYQEOBHXEM-QHCPKHFHSA-N 0 0 432.432 3.800 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000008782753 569290465 /nfs/dbraw/zinc/29/04/65/569290465.db2.gz LLDIUCJNQHWTMT-UHFFFAOYSA-N 0 0 439.493 3.733 40 5 IHBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008902491 569292029 /nfs/dbraw/zinc/29/20/29/569292029.db2.gz MNZHXRIVQQQCSC-QHHAFSJGSA-N 0 0 432.820 3.645 40 5 IHBBRN Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000009059218 569293298 /nfs/dbraw/zinc/29/32/98/569293298.db2.gz JUUMSJWHIMRNDD-UHFFFAOYSA-N 0 0 448.848 3.683 40 5 IHBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nn12 ZINC000010010270 569299071 /nfs/dbraw/zinc/29/90/71/569299071.db2.gz GPCFUWPKGMUHLH-UHFFFAOYSA-N 0 0 438.469 3.893 40 5 IHBBRN CCCCN1C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)N(c3ccc(Cl)cc3)O[C@@H]2C1=O ZINC000012017475 569303566 /nfs/dbraw/zinc/30/35/66/569303566.db2.gz JPFAGBAZQUWDQJ-QYZOEREBSA-N 0 0 429.860 3.895 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@H](CC(C)C)c1ccccc1)S(C)(=O)=O ZINC000260593153 569308765 /nfs/dbraw/zinc/30/87/65/569308765.db2.gz XHBUANQINCMHSV-YLJYHZDGSA-N 0 0 447.557 3.961 40 5 IHBBRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000013083893 569309388 /nfs/dbraw/zinc/30/93/88/569309388.db2.gz UNQHODJQRLPPLP-AWEZNQCLSA-N 0 0 448.888 3.867 40 5 IHBBRN O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013400359 569315374 /nfs/dbraw/zinc/31/53/74/569315374.db2.gz MOEROXZXTYNKAM-UHFFFAOYSA-N 0 0 432.824 3.938 40 5 IHBBRN O=[N+]([O-])c1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CC2)n1 ZINC000329038074 569322201 /nfs/dbraw/zinc/32/22/01/569322201.db2.gz RRAFGJCKWGYSOE-UHFFFAOYSA-N 0 0 445.401 3.981 40 5 IHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccc(C)c(C)c2)o1 ZINC000019928016 569332032 /nfs/dbraw/zinc/33/20/32/569332032.db2.gz XWXKOTXOIHRIKO-UHFFFAOYSA-N 0 0 444.469 3.913 40 5 IHBBRN O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000021577883 569390018 /nfs/dbraw/zinc/39/00/18/569390018.db2.gz RAFHCONNVWCWOH-UHFFFAOYSA-N 0 0 428.464 3.813 40 5 IHBBRN COc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000002502996 569405863 /nfs/dbraw/zinc/40/58/63/569405863.db2.gz MJJYJBCGPXBNIA-NRFANRHFSA-N 0 0 425.466 3.919 40 5 IHBBRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000218489391 569458238 /nfs/dbraw/zinc/45/82/38/569458238.db2.gz MFGSYHXFMOXCNI-SNVBAGLBSA-N 0 0 432.285 3.695 40 5 IHBBRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)OCC)C1=O ZINC000020638320 520600562 /nfs/dbraw/zinc/60/05/62/520600562.db2.gz IPHGOTITXFZFKG-UXHICEINSA-N 0 0 436.468 3.860 40 5 IHBBRN CCCCNC(=S)C(=O)Nc1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC000020582986 520688917 /nfs/dbraw/zinc/68/89/17/520688917.db2.gz URMMJHKGIUYYCC-UHFFFAOYSA-N 0 0 439.129 3.775 40 5 IHBBRN CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000035883600 524013253 /nfs/dbraw/zinc/01/32/53/524013253.db2.gz LNNFASIGHIHUBR-SNYIIPAISA-N 0 0 446.438 3.505 40 5 IHBBRN Cc1c(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000022393031 525833229 /nfs/dbraw/zinc/83/32/29/525833229.db2.gz HXVIUMFFESZBIX-UHFFFAOYSA-N 0 0 449.485 3.938 40 5 IHBBRN CCc1nnc2sc3c(Cl)c4nn5c(CC)nnc5sc4c(Cl)c3nn12 ZINC000001572435 555703694 /nfs/dbraw/zinc/70/36/94/555703694.db2.gz QDFHTFOOBMCTRT-UHFFFAOYSA-N 0 0 425.330 3.985 40 5 IHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408687569 556616106 /nfs/dbraw/zinc/61/61/06/556616106.db2.gz UQHIYFSOBYEOAN-IRXDYDNUSA-N 0 0 441.871 3.981 40 5 IHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)CCCC1=O ZINC000408681350 556616625 /nfs/dbraw/zinc/61/66/25/556616625.db2.gz HVRJIWPHUINXDK-UHFFFAOYSA-N 0 0 436.251 3.998 40 5 IHBBRN CS(=O)(=O)N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000408705354 556618014 /nfs/dbraw/zinc/61/80/14/556618014.db2.gz CWBOHUAQSBCGHU-UHFFFAOYSA-N 0 0 429.857 3.572 40 5 IHBBRN COC(=O)C(=Cc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC ZINC000409086465 556629873 /nfs/dbraw/zinc/62/98/73/556629873.db2.gz VRTFXSMDKLCCMG-UHFFFAOYSA-N 0 0 436.760 3.678 40 5 IHBBRN O=[N+]([O-])c1cnn(-c2cnc3c(Br)c(OCc4ccccc4Cl)nn3c2)c1 ZINC000013642401 556705423 /nfs/dbraw/zinc/70/54/23/556705423.db2.gz LDJVKBDBKIJNCJ-UHFFFAOYSA-N 0 0 449.652 3.818 40 5 IHBBRN CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(C)cc1C ZINC000220037739 556810529 /nfs/dbraw/zinc/81/05/29/556810529.db2.gz ZBADDTJGLQLLTM-SFHVURJKSA-N 0 0 433.530 3.554 40 5 IHBBRN CSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@@H](C)[C@H]5C)c(=O)c4cc3c2=O)n1 ZINC000040398869 556820655 /nfs/dbraw/zinc/82/06/55/556820655.db2.gz QEICAPBAIRHHOW-SNUQEOBHSA-N 0 0 436.541 3.538 40 5 IHBBRN CC(=O)c1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409184072 556990385 /nfs/dbraw/zinc/99/03/85/556990385.db2.gz WNYOLSNTMXELEE-UHFFFAOYSA-N 0 0 425.418 3.849 40 5 IHBBRN Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000220392928 557135544 /nfs/dbraw/zinc/13/55/44/557135544.db2.gz RKHOOBZKGOZSKK-IRXDYDNUSA-N 0 0 433.530 3.552 40 5 IHBBRN CC[C@H](NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1C ZINC000220397654 557136249 /nfs/dbraw/zinc/13/62/49/557136249.db2.gz HOGNSEGFAVGNDR-PXNSSMCTSA-N 0 0 447.557 3.942 40 5 IHBBRN CC(C)C[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 ZINC000220422317 557154437 /nfs/dbraw/zinc/15/44/37/557154437.db2.gz NLYXXLLAQTWRNA-JXFKEZNVSA-N 0 0 433.530 3.653 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O ZINC000260511747 557167088 /nfs/dbraw/zinc/16/70/88/557167088.db2.gz SFDOYFUSJFRJJH-FQEVSTJZSA-N 0 0 445.541 3.643 40 5 IHBBRN CCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(OC)c1[N+](=O)[O-])Nc1ccccc1-2 ZINC000015015752 557242853 /nfs/dbraw/zinc/24/28/53/557242853.db2.gz JASNLTSQUAATGP-KRWDZBQOSA-N 0 0 427.442 3.776 40 5 IHBBRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1F ZINC000014269687 557331988 /nfs/dbraw/zinc/33/19/88/557331988.db2.gz DPEUCJNOQAWKSH-UHFFFAOYSA-N 0 0 442.266 3.940 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000014410799 557337160 /nfs/dbraw/zinc/33/71/60/557337160.db2.gz WQXQCMSDJBMDNB-UHFFFAOYSA-N 0 0 443.456 3.876 40 5 IHBBRN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102718614 557367915 /nfs/dbraw/zinc/36/79/15/557367915.db2.gz MNUHBILPENDACX-FDFHNCONSA-N 0 0 429.432 3.954 40 5 IHBBRN COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102734230 557371172 /nfs/dbraw/zinc/37/11/72/557371172.db2.gz GFEQTTSYRQKZLP-BHIFYINESA-N 0 0 445.431 3.655 40 5 IHBBRN Cc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102737517 557371219 /nfs/dbraw/zinc/37/12/19/557371219.db2.gz KQVZEZIPDVBIAL-BHIFYINESA-N 0 0 429.432 3.954 40 5 IHBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCC(=O)OC ZINC000408543196 557416096 /nfs/dbraw/zinc/41/60/96/557416096.db2.gz NJFCGHUUSYNPMA-AATRIKPKSA-N 0 0 441.234 3.775 40 5 IHBBRN CCOc1c(Cl)cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1Cl ZINC000408564031 557418280 /nfs/dbraw/zinc/41/82/80/557418280.db2.gz CBLXWIRGHAOWMZ-UOXRKKOCSA-N 0 0 436.295 3.914 40 5 IHBBRN CN1C[C@H](c2ccc(OCc3cccc(F)c3)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566366 557419112 /nfs/dbraw/zinc/41/91/12/557419112.db2.gz NRRFMMNDTYKTEA-QFZRFWILSA-N 0 0 447.466 3.927 40 5 IHBBRN CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408662614 557427666 /nfs/dbraw/zinc/42/76/66/557427666.db2.gz FWHVDSJJWMNNFH-UHFFFAOYSA-N 0 0 443.456 3.593 40 5 IHBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000408669039 557427685 /nfs/dbraw/zinc/42/76/85/557427685.db2.gz VUWLPKSCCOQHJR-UHFFFAOYSA-N 0 0 433.848 3.847 40 5 IHBBRN O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000015674162 560230965 /nfs/dbraw/zinc/23/09/65/560230965.db2.gz VXHAFCRZEOQJCS-SJORKVTESA-N 0 0 434.374 3.972 40 5 biogenic,in-vitro IHBBRN Cc1ccc([C@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C ZINC000222378588 568639664 /nfs/dbraw/zinc/63/96/64/568639664.db2.gz FFMSIQMKJUUOBN-SFHVURJKSA-N 0 0 447.557 3.944 40 5 IHBBRN Cc1ccc([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 ZINC000222378233 568639714 /nfs/dbraw/zinc/63/97/14/568639714.db2.gz FEKMVURSAMXSTC-GOSISDBHSA-N 0 0 447.557 3.944 40 5 IHBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222506996 568649566 /nfs/dbraw/zinc/64/95/66/568649566.db2.gz OUZVUXGQVKDGKL-MRXNPFEDSA-N 0 0 443.884 3.879 40 5 IHBBRN CC[C@H](C(=O)Nc1ccc(Cl)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222519670 568650081 /nfs/dbraw/zinc/65/00/81/568650081.db2.gz DVLSPBVJCHCTIU-QGZVFWFLSA-N 0 0 425.894 3.740 40 5 IHBBRN CC[C@H](C(=O)N[C@@H](C)c1ccc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222529444 568650535 /nfs/dbraw/zinc/65/05/35/568650535.db2.gz SUHLOCIZTLDTMC-OXJNMPFZSA-N 0 0 433.530 3.634 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O ZINC000222807072 568661307 /nfs/dbraw/zinc/66/13/07/568661307.db2.gz QCGQZZKNIKWNNL-INIZCTEOSA-N 0 0 441.509 3.527 40 5 IHBBRN O=[N+]([O-])c1nc(Sc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)n(Cc2ccccc2F)n1 ZINC000015321223 568755324 /nfs/dbraw/zinc/75/53/24/568755324.db2.gz FBUJHMIRLBKVEN-UHFFFAOYSA-N 0 0 441.404 3.823 40 5 IHBBRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000015389969 568761611 /nfs/dbraw/zinc/76/16/11/568761611.db2.gz WUFJCJIZNNSHBH-UHFFFAOYSA-N 0 0 425.466 3.981 40 5 IHBBRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223405574 568824706 /nfs/dbraw/zinc/82/47/06/568824706.db2.gz UUKCVMOKSBCSNN-UHFFFAOYSA-N 0 0 429.454 3.569 40 5 IHBBRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223550169 568866234 /nfs/dbraw/zinc/86/62/34/568866234.db2.gz DSCUKFYOGVDICB-QGZVFWFLSA-N 0 0 429.542 3.690 40 5 IHBBRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224034812 568886062 /nfs/dbraw/zinc/88/60/62/568886062.db2.gz RVWMAEBULAEOKK-NRFANRHFSA-N 0 0 425.529 3.904 40 5 IHBBRN COc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000224048628 568887580 /nfs/dbraw/zinc/88/75/80/568887580.db2.gz MDRZLLSGCKABQA-QGZVFWFLSA-N 0 0 439.512 3.622 40 5 IHBBRN CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000224171329 568908521 /nfs/dbraw/zinc/90/85/21/568908521.db2.gz CYUXLBCKGUEMDN-UHFFFAOYSA-N 0 0 429.429 3.811 40 5 IHBBRN CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017095899 569172621 /nfs/dbraw/zinc/17/26/21/569172621.db2.gz BNQKZXTWXOGBLS-UHFFFAOYSA-N 0 0 428.514 3.682 40 5 IHBBRN COc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)c1 ZINC000017227480 569176118 /nfs/dbraw/zinc/17/61/18/569176118.db2.gz FAPMWSZRHLNDNJ-UHFFFAOYSA-N 0 0 430.442 3.605 40 5 IHBBRN CCN(c1ccc(I)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224773368 569186331 /nfs/dbraw/zinc/18/63/31/569186331.db2.gz GUZPMLSDFRVLCN-UHFFFAOYSA-N 0 0 446.266 3.723 40 5 IHBBRN CCOC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224779442 569186341 /nfs/dbraw/zinc/18/63/41/569186341.db2.gz BIJZCRBGSBZLRW-UHFFFAOYSA-N 0 0 426.878 3.623 40 5 IHBBRN CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000027373321 569195388 /nfs/dbraw/zinc/19/53/88/569195388.db2.gz AVKPDODUWHDKSE-UWHLTILDSA-N 0 0 445.475 3.725 40 5 IHBBRN CCOC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225076809 569214296 /nfs/dbraw/zinc/21/42/96/569214296.db2.gz TVMWWGMXIPXXIL-UHFFFAOYSA-N 0 0 446.403 3.680 40 5 IHBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225061687 569215162 /nfs/dbraw/zinc/21/51/62/569215162.db2.gz OSJFXGSRZSGFDB-UHFFFAOYSA-N 0 0 428.466 3.815 40 5 IHBBRN CCOC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225082756 569215583 /nfs/dbraw/zinc/21/55/83/569215583.db2.gz WETDGGPCCQOHRX-UHFFFAOYSA-N 0 0 426.878 3.623 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000010313880 569222412 /nfs/dbraw/zinc/22/24/12/569222412.db2.gz PMWLHTROSHYZKE-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN COc1ccc(OC)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000107738558 569251145 /nfs/dbraw/zinc/25/11/45/569251145.db2.gz SUHOUQRIDMFAEA-UHFFFAOYSA-N 0 0 427.438 3.999 40 5 IHBBRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000109020713 569253430 /nfs/dbraw/zinc/25/34/30/569253430.db2.gz LWQDMSIMTWIJKY-UHFFFAOYSA-N 0 0 441.465 3.722 40 5 IHBBRN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000018009837 569283762 /nfs/dbraw/zinc/28/37/62/569283762.db2.gz MOSFIMPGJSYNDM-FKBYEOEOSA-N 0 0 445.431 3.655 40 5 IHBBRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000010010401 569299087 /nfs/dbraw/zinc/29/90/87/569299087.db2.gz FTZWZBQTVSKVSH-UHFFFAOYSA-N 0 0 446.891 3.568 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C ZINC000020061805 569332912 /nfs/dbraw/zinc/33/29/12/569332912.db2.gz JHBNLIVSKBJRMB-UHFFFAOYSA-N 0 0 431.514 3.885 40 5 IHBBRN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000020410897 569363773 /nfs/dbraw/zinc/36/37/73/569363773.db2.gz RXZXJALTWJCCQD-UHFFFAOYSA-N 0 0 428.514 3.682 40 5 IHBBRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020412547 569363871 /nfs/dbraw/zinc/36/38/71/569363871.db2.gz QDOMFRIYLSOPKG-UHFFFAOYSA-N 0 0 430.892 3.805 40 5 IHBBRN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cc([N+](=O)[O-])ccc1Cl ZINC000218126721 569456419 /nfs/dbraw/zinc/45/64/19/569456419.db2.gz DMGUTAQUBOYQEJ-UHFFFAOYSA-N 0 0 437.637 3.991 40 5 IHBBRN Cc1ccc(Cl)cc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000218268932 569456927 /nfs/dbraw/zinc/45/69/27/569456927.db2.gz REMLVJYACPMBBY-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN CC[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022375300 522682792 /nfs/dbraw/zinc/68/27/92/522682792.db2.gz UYJAKYGFAOOUFW-LJQANCHMSA-N 0 0 433.530 3.554 40 5 IHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408679835 556614258 /nfs/dbraw/zinc/61/42/58/556614258.db2.gz FKCZSWBDBKWNTB-OALUTQOASA-N 0 0 441.871 3.981 40 5 IHBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000408678166 556614875 /nfs/dbraw/zinc/61/48/75/556614875.db2.gz CQVGVGYLPXLYBX-UWWQBHOKSA-N 0 0 439.443 3.713 40 5 IHBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000408702169 556618032 /nfs/dbraw/zinc/61/80/32/556618032.db2.gz KNXPOJQHBFIOIC-UHFFFAOYSA-N 0 0 444.296 3.938 40 5 IHBBRN CCOC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 ZINC000408749189 556619741 /nfs/dbraw/zinc/61/97/41/556619741.db2.gz FIBBXIBJDPJMPQ-UHFFFAOYSA-N 0 0 443.462 3.660 40 5 IHBBRN Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1C ZINC000408850194 556621628 /nfs/dbraw/zinc/62/16/28/556621628.db2.gz HWNNNPSZSIRVEY-KRWDZBQOSA-N 0 0 437.905 3.657 40 5 IHBBRN O=[N+]([O-])c1ccc(Oc2ccc(C=Cc3nc(O)c([N+](=O)[O-])c(O)n3)cc2)c([N+](=O)[O-])c1 ZINC000409340593 556636940 /nfs/dbraw/zinc/63/69/40/556636940.db2.gz ZVTBPRDQTMUQCP-BAQGIRSFSA-N 0 0 441.312 3.575 40 5 IHBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC ZINC000409351061 556637953 /nfs/dbraw/zinc/63/79/53/556637953.db2.gz VUFJEANFAYSVMJ-YBFXNURJSA-N 0 0 442.449 3.921 40 5 IHBBRN O=C(CN1C(=O)SC(=Cc2coc3ccccc3c2=O)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409389465 556639148 /nfs/dbraw/zinc/63/91/48/556639148.db2.gz ZPWZCBKTOLGJTD-NVMNQCDNSA-N 0 0 436.401 3.620 40 5 IHBBRN CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(C)cc1C ZINC000220037686 556810462 /nfs/dbraw/zinc/81/04/62/556810462.db2.gz ZBADDTJGLQLLTM-GOSISDBHSA-N 0 0 433.530 3.554 40 5 IHBBRN COc1cc(OCC(=O)NCCSCc2c(F)cccc2Cl)ccc1[N+](=O)[O-] ZINC000219822104 556917826 /nfs/dbraw/zinc/91/78/26/556917826.db2.gz DMFJFQCVFHWLCF-UHFFFAOYSA-N 0 0 428.869 3.824 40 5 IHBBRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409018938 556923765 /nfs/dbraw/zinc/92/37/65/556923765.db2.gz ZKJPYIOZKOZFIQ-XDHOZWIPSA-N 0 0 446.419 3.695 40 5 IHBBRN COCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O ZINC000409124335 556964362 /nfs/dbraw/zinc/96/43/62/556964362.db2.gz BLSOZESVNRWBNH-YBFXNURJSA-N 0 0 444.465 3.865 40 5 IHBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000409180009 556987602 /nfs/dbraw/zinc/98/76/02/556987602.db2.gz UDPCYQJAGSIACW-UHFFFAOYSA-N 0 0 447.359 3.661 40 5 IHBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O ZINC000409199048 556991985 /nfs/dbraw/zinc/99/19/85/556991985.db2.gz AWEOWOACBUGIIB-GPLLRDDGSA-N 0 0 429.454 3.764 40 5 IHBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409206107 557003861 /nfs/dbraw/zinc/00/38/61/557003861.db2.gz HRIBPFMOEXKREO-WOJGMQOQSA-N 0 0 446.419 3.884 40 5 IHBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000409217862 557012411 /nfs/dbraw/zinc/01/24/11/557012411.db2.gz XRJDYNGJIPHGSK-VAENJDROSA-N 0 0 443.275 3.735 40 5 IHBBRN Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C ZINC000220397095 557136275 /nfs/dbraw/zinc/13/62/75/557136275.db2.gz CAMPKJZCYSGOBV-IRXDYDNUSA-N 0 0 433.530 3.552 40 5 IHBBRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220432791 557155103 /nfs/dbraw/zinc/15/51/03/557155103.db2.gz HDZVQQCWZNRNCL-SNVBAGLBSA-N 0 0 432.285 3.695 40 5 IHBBRN CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000014091735 557301508 /nfs/dbraw/zinc/30/15/08/557301508.db2.gz IZJUEKUQJXBXRF-UHFFFAOYSA-N 0 0 427.486 3.536 40 5 IHBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OC)c(OC)c2)cc1 ZINC000408572440 557420039 /nfs/dbraw/zinc/42/00/39/557420039.db2.gz RDUFVRZLSGINKJ-LJQANCHMSA-N 0 0 430.486 3.712 40 5 IHBBRN CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000103562488 557438938 /nfs/dbraw/zinc/43/89/38/557438938.db2.gz AGYXVVSRSPFRSQ-UWHLTILDSA-N 0 0 445.475 3.725 40 5 IHBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224354616 557597061 /nfs/dbraw/zinc/59/70/61/557597061.db2.gz COZMESQWLDULLK-FQEVSTJZSA-N 0 0 447.532 3.911 40 5 IHBBRN O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(C(F)(F)F)cc3)n2)c1 ZINC000015674869 560095832 /nfs/dbraw/zinc/09/58/32/560095832.db2.gz XAOYXIYDMPJARW-SJORKVTESA-N 0 0 434.374 3.972 40 5 biogenic,in-vitro IHBBRN CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260941286 568631093 /nfs/dbraw/zinc/63/10/93/568631093.db2.gz SHTKQKWLSVWHPB-QVKFZJNVSA-N 0 0 445.541 3.506 40 5 IHBBRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000222362850 568638319 /nfs/dbraw/zinc/63/83/19/568638319.db2.gz CXPDYMWTIXKZNO-UHFFFAOYSA-N 0 0 429.857 3.572 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O ZINC000222377918 568639753 /nfs/dbraw/zinc/63/97/53/568639753.db2.gz SFDOYFUSJFRJJH-HXUWFJFHSA-N 0 0 445.541 3.643 40 5 IHBBRN CC[C@@H](C(=O)Nc1cccc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222514675 568649823 /nfs/dbraw/zinc/64/98/23/568649823.db2.gz NVVWGAZHENOCBS-FQEVSTJZSA-N 0 0 427.482 3.931 40 5 IHBBRN CC[C@H](C(=O)Nc1cccc(OC(C)C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222524946 568650283 /nfs/dbraw/zinc/65/02/83/568650283.db2.gz QSRRVTVKYJTEBA-LJQANCHMSA-N 0 0 435.502 3.565 40 5 IHBBRN CCc1cccc(CC)c1NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222522533 568650288 /nfs/dbraw/zinc/65/02/88/568650288.db2.gz BEMCLIUKABFDOX-LJQANCHMSA-N 0 0 433.530 3.903 40 5 IHBBRN 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439.855 3.757 40 5 IHBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408685732 556616325 /nfs/dbraw/zinc/61/63/25/556616325.db2.gz QEGOTGBRWRYOIB-RTBURBONSA-N 0 0 437.427 3.633 40 5 IHBBRN CC(=O)c1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000409177002 556632365 /nfs/dbraw/zinc/63/23/65/556632365.db2.gz AIBZVRAXVYSMNW-UHFFFAOYSA-N 0 0 425.418 3.849 40 5 IHBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000409202043 556634192 /nfs/dbraw/zinc/63/41/92/556634192.db2.gz OEYIMZDXSJHLCQ-XWAFYUISSA-N 0 0 443.481 3.823 40 5 IHBBRN C[C@H](NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000409263349 556636175 /nfs/dbraw/zinc/63/61/75/556636175.db2.gz MGLQSIMMZCPFLK-KRWDZBQOSA-N 0 0 439.493 3.668 40 5 IHBBRN COc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc([N+](=O)[O-])c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013661189 556708668 /nfs/dbraw/zinc/70/86/68/556708668.db2.gz SJZVHCSHLUOAHU-FSSWDIPSSA-N 0 0 445.431 3.655 40 5 IHBBRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409002652 556915107 /nfs/dbraw/zinc/91/51/07/556915107.db2.gz OWQNPDHRUDPVGS-OAQYLSRUSA-N 0 0 432.432 3.882 40 5 IHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409179730 556987708 /nfs/dbraw/zinc/98/77/08/556987708.db2.gz UNPAUEHELNDTLY-UHFFFAOYSA-N 0 0 427.394 3.588 40 5 IHBBRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409239297 557020777 /nfs/dbraw/zinc/02/07/77/557020777.db2.gz PHHVCWACTLXJNE-UHFFFAOYSA-N 0 0 439.493 3.645 40 5 IHBBRN CCN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409248674 557029499 /nfs/dbraw/zinc/02/94/99/557029499.db2.gz HWWSJKHJZBIPIB-MHWRWJLKSA-N 0 0 446.257 3.849 40 5 IHBBRN Cc1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000409321093 557059461 /nfs/dbraw/zinc/05/94/61/557059461.db2.gz GOEHOOUOISTDOZ-UHFFFAOYSA-N 0 0 425.466 3.737 40 5 IHBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(F)c(F)c1F ZINC000409353133 557080250 /nfs/dbraw/zinc/08/02/50/557080250.db2.gz YLYYADGWLCOGFD-NTUHNPAUSA-N 0 0 437.355 3.687 40 5 IHBBRN Cc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl ZINC000220385806 557134289 /nfs/dbraw/zinc/13/42/89/557134289.db2.gz DMQKEKTVEMCWOO-CYBMUJFWSA-N 0 0 425.894 3.658 40 5 IHBBRN CC[C@H](NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1C ZINC000220397522 557136285 /nfs/dbraw/zinc/13/62/85/557136285.db2.gz HOGNSEGFAVGNDR-XLIONFOSSA-N 0 0 447.557 3.942 40 5 IHBBRN Cc1c(Cl)cccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000218269807 557186357 /nfs/dbraw/zinc/18/63/57/557186357.db2.gz BEXZYHODIFGYRC-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000100937085 557202320 /nfs/dbraw/zinc/20/23/20/557202320.db2.gz KKWLEQOPCNKWOY-FSSWDIPSSA-N 0 0 445.431 3.655 40 5 IHBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000101099160 557243562 /nfs/dbraw/zinc/24/35/62/557243562.db2.gz AYUSIIUDFYQHOF-BDTNDASRSA-N 0 0 429.432 3.954 40 5 IHBBRN COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)c1 ZINC000101224667 557266070 /nfs/dbraw/zinc/26/60/70/557266070.db2.gz OZVWQMZSXNUHBB-BDTNDASRSA-N 0 0 445.431 3.655 40 5 IHBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000205913119 557296451 /nfs/dbraw/zinc/29/64/51/557296451.db2.gz YSOALGSMROEEEC-WOJGMQOQSA-N 0 0 441.465 3.822 40 5 IHBBRN O=C1[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102730200 557368944 /nfs/dbraw/zinc/36/89/44/557368944.db2.gz WHVDSSFOLVXIRF-HKBOAZHASA-N 0 0 433.395 3.785 40 5 IHBBRN COc1cc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCC3)ccc1[N+](=O)[O-] ZINC000408551755 557416682 /nfs/dbraw/zinc/41/66/82/557416682.db2.gz IPRQFXGVUZEIMX-UHFFFAOYSA-N 0 0 428.392 3.632 40 5 IHBBRN O=C(CNC(=O)c1ccc(COc2ccc(Cl)cc2)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000408563757 557418084 /nfs/dbraw/zinc/41/80/84/557418084.db2.gz XBLAUUZGLXEUDD-UHFFFAOYSA-N 0 0 429.816 3.789 40 5 IHBBRN CN1C[C@H](c2ccc(OCc3cccc(F)c3)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566364 557419142 /nfs/dbraw/zinc/41/91/42/557419142.db2.gz NRRFMMNDTYKTEA-PBXXJUDPSA-N 0 0 447.466 3.927 40 5 IHBBRN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000014152609 557423635 /nfs/dbraw/zinc/42/36/35/557423635.db2.gz RMXAAFAXDTULAL-UHFFFAOYSA-N 0 0 443.485 3.525 40 5 IHBBRN Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000408662565 557426054 /nfs/dbraw/zinc/42/60/54/557426054.db2.gz FLIGNCHAHGXZPZ-UHFFFAOYSA-N 0 0 427.457 3.811 40 5 IHBBRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000408666265 557427429 /nfs/dbraw/zinc/42/74/29/557427429.db2.gz XUJDLJDGLKPCSV-UHFFFAOYSA-N 0 0 435.436 3.957 40 5 IHBBRN O=C(COC(=O)CN(Cc1ccccc1)Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000408665506 557427680 /nfs/dbraw/zinc/42/76/80/557427680.db2.gz FPKGDPHAYJCBLG-UHFFFAOYSA-N 0 0 433.464 3.779 40 5 IHBBRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000014269433 557428706 /nfs/dbraw/zinc/42/87/06/557428706.db2.gz GNSHPHUXUCYDMM-UHFFFAOYSA-N 0 0 442.409 3.898 40 5 IHBBRN CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000103517370 557438099 /nfs/dbraw/zinc/43/80/99/557438099.db2.gz AVKPDODUWHDKSE-BURNTYAHSA-N 0 0 445.475 3.725 40 5 IHBBRN CCSc1ccccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222367854 568638227 /nfs/dbraw/zinc/63/82/27/568638227.db2.gz IXHBBEJQXOUNFD-UHFFFAOYSA-N 0 0 437.543 3.892 40 5 IHBBRN Cc1ccc([C@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000222367987 568638336 /nfs/dbraw/zinc/63/83/36/568638336.db2.gz AVACUYMXCROSGG-KRWDZBQOSA-N 0 0 433.530 3.635 40 5 IHBBRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222491926 568650042 /nfs/dbraw/zinc/65/00/42/568650042.db2.gz GOAIOWIXBLYGCR-AWEZNQCLSA-N 0 0 435.933 3.645 40 5 IHBBRN CC[C@H](C(=O)N[C@@H](C)c1ccc(C)c(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222530021 568650496 /nfs/dbraw/zinc/65/04/96/568650496.db2.gz LRZSHUIVQRDLGH-OXJNMPFZSA-N 0 0 433.530 3.634 40 5 IHBBRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)c(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222543147 568652192 /nfs/dbraw/zinc/65/21/92/568652192.db2.gz OUWJFYDMEGYSOU-PXNSSMCTSA-N 0 0 447.557 3.942 40 5 IHBBRN CCc1ccc([C@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222651930 568656463 /nfs/dbraw/zinc/65/64/63/568656463.db2.gz WWLFEQZPNJSOKV-KRWDZBQOSA-N 0 0 447.557 3.889 40 5 IHBBRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223015878 568775259 /nfs/dbraw/zinc/77/52/59/568775259.db2.gz CWMLJGMZVYNWAD-FQEVSTJZSA-N 0 0 429.542 3.690 40 5 IHBBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000223067163 568778760 /nfs/dbraw/zinc/77/87/60/568778760.db2.gz OLLOPNXNDYWBAI-RTWAWAEBSA-N 0 0 437.525 3.790 40 5 IHBBRN COc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000016216370 568872967 /nfs/dbraw/zinc/87/29/67/568872967.db2.gz ZPGWBRUHLOYVTF-UHFFFAOYSA-N 0 0 434.404 3.895 40 5 IHBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000016250198 568874840 /nfs/dbraw/zinc/87/48/40/568874840.db2.gz IMDMIRJQENLNSG-UHFFFAOYSA-N 0 0 441.465 3.722 40 5 IHBBRN CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)oc1ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000223775674 568877301 /nfs/dbraw/zinc/87/73/01/568877301.db2.gz BQKRYXPFCLFXHA-UHFFFAOYSA-N 0 0 439.449 3.899 40 5 IHBBRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223773063 568877330 /nfs/dbraw/zinc/87/73/30/568877330.db2.gz GBUSWMGLCJUWQV-HNNXBMFYSA-N 0 0 433.505 3.521 40 5 IHBBRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1F ZINC000017101702 569173646 /nfs/dbraw/zinc/17/36/46/569173646.db2.gz UYZOSSFHADIJOM-UHFFFAOYSA-N 0 0 437.758 3.940 40 5 IHBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1[N+](=O)[O-] ZINC000017103041 569173823 /nfs/dbraw/zinc/17/38/23/569173823.db2.gz QFLMXNVNNKKBIR-UHFFFAOYSA-N 0 0 439.291 3.586 40 5 IHBBRN Cc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1Cl ZINC000017099247 569173935 /nfs/dbraw/zinc/17/39/35/569173935.db2.gz PDUVYFHCUUCNFK-UHFFFAOYSA-N 0 0 434.905 3.520 40 5 IHBBRN CCOC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224758063 569185157 /nfs/dbraw/zinc/18/51/57/569185157.db2.gz PIUJOYYZCPQVJJ-UHFFFAOYSA-N 0 0 433.269 3.660 40 5 IHBBRN CCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224787119 569186850 /nfs/dbraw/zinc/18/68/50/569186850.db2.gz GZBORNRCEOMBKS-UHFFFAOYSA-N 0 0 447.296 3.968 40 5 IHBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224912189 569191532 /nfs/dbraw/zinc/19/15/32/569191532.db2.gz QCVMWSRCXMUUBO-OAQYLSRUSA-N 0 0 441.528 3.726 40 5 IHBBRN O=c1/c(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)sc2nc3ccccc3n12 ZINC000197586377 569209217 /nfs/dbraw/zinc/20/92/17/569209217.db2.gz FPMFGRLQGUBVRA-BKUYFWCQSA-N 0 0 429.457 3.944 40 5 IHBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccc(OC)cc1 ZINC000021991826 569241641 /nfs/dbraw/zinc/24/16/41/569241641.db2.gz ZKXQHMJPLFTLNW-UHFFFAOYSA-N 0 0 427.486 3.921 40 5 IHBBRN O=[N+]([O-])c1cccc(COc2ccc(Br)cc2C(=S)N2CCOCC2)c1 ZINC000107918790 569251660 /nfs/dbraw/zinc/25/16/60/569251660.db2.gz OTZOUOODCYBPSP-UHFFFAOYSA-N 0 0 437.315 3.944 40 5 IHBBRN CCOC(=O)N1CCN(C(=S)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)CC1 ZINC000038261740 569259103 /nfs/dbraw/zinc/25/91/03/569259103.db2.gz NSTGJKZFWOWLFO-UHFFFAOYSA-N 0 0 435.509 3.702 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000009064616 569293248 /nfs/dbraw/zinc/29/32/48/569293248.db2.gz MMQCJFTWXIVBEE-UHFFFAOYSA-N 0 0 442.409 3.898 40 5 IHBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc([N+](=O)[O-])cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000011582394 569302607 /nfs/dbraw/zinc/30/26/07/569302607.db2.gz XFLYLUWAQGFVEE-FSSWDIPSSA-N 0 0 429.432 3.954 40 5 IHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225498107 569304518 /nfs/dbraw/zinc/30/45/18/569304518.db2.gz BSQQJJXROYQCPW-QHCPKHFHSA-N 0 0 431.492 3.523 40 5 IHBBRN CC[C@@H](C(=O)N[C@H](C)c1cc(C)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260513017 569307166 /nfs/dbraw/zinc/30/71/66/569307166.db2.gz ZHGMIJINILINQG-UZLBHIALSA-N 0 0 433.530 3.634 40 5 IHBBRN COc1ccc(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 ZINC000019928013 569332031 /nfs/dbraw/zinc/33/20/31/569332031.db2.gz MJBVRWGEWHNGPW-UHFFFAOYSA-N 0 0 444.469 3.913 40 5 IHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cc(OC)cc(OC)c1 ZINC000019928845 569332142 /nfs/dbraw/zinc/33/21/42/569332142.db2.gz CAMVLSWHSRWYGH-UHFFFAOYSA-N 0 0 443.485 3.621 40 5 IHBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020410873 569363797 /nfs/dbraw/zinc/36/37/97/569363797.db2.gz OJIGCPKXVQIWLW-UHFFFAOYSA-N 0 0 426.256 3.756 40 5 IHBBRN O=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317243 569430760 /nfs/dbraw/zinc/43/07/60/569430760.db2.gz ZFIJDXJHEBFMOH-UHFFFAOYSA-N 0 0 447.772 3.532 40 5 IHBBRN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000218489308 569458289 /nfs/dbraw/zinc/45/82/89/569458289.db2.gz MFGSYHXFMOXCNI-JTQLQIEISA-N 0 0 432.285 3.695 40 5 IHBBRN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccccn2)n1 ZINC000329002827 569583337 /nfs/dbraw/zinc/58/33/37/569583337.db2.gz KJOHVQJLDIFDKL-KRWDZBQOSA-N 0 0 428.880 4.273 40 5 IHBBRN O=[N+]([O-])c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCCO)n2)cc1 ZINC000329029743 569584253 /nfs/dbraw/zinc/58/42/53/569584253.db2.gz QARHJFMJBSOFLO-UHFFFAOYSA-N 0 0 449.389 4.488 40 5 IHBBRN Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)C1 ZINC000008623931 291374107 /nfs/dbraw/zinc/37/41/07/291374107.db2.gz HTEHHQOFCLVWGB-QZTJIDSGSA-N 0 0 438.509 3.788 40 5 biogenic,in-vitro IHBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 ZINC000223320020 193966432 /nfs/dbraw/zinc/96/64/32/193966432.db2.gz XFFRQQOMRJNGIN-VLCRHTCISA-N 0 0 449.536 3.932 40 5 IHBBRN Cc1c(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000408603895 193973137 /nfs/dbraw/zinc/97/31/37/193973137.db2.gz DJXZIRAMAOHJGJ-UHFFFAOYSA-N 0 0 446.312 3.610 40 5 IHBBRN O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000016450416 527462037 /nfs/dbraw/zinc/46/20/37/527462037.db2.gz ZDBFWHQEMKQUGS-UHFFFAOYSA-N 0 0 429.458 3.620 40 5 IHBBRN O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(Cl)c2)cc1 ZINC000032640723 556413347 /nfs/dbraw/zinc/41/33/47/556413347.db2.gz DUXFNMUDNROHOL-IAGOWNOFSA-N 0 0 437.930 3.523 40 5 IHBBRN O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Cl)c2)cc1 ZINC000032640724 556413351 /nfs/dbraw/zinc/41/33/51/556413351.db2.gz DUXFNMUDNROHOL-SJORKVTESA-N 0 0 437.930 3.523 40 5 IHBBRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1[N+](=O)[O-] ZINC000408653066 556613129 /nfs/dbraw/zinc/61/31/29/556613129.db2.gz HOEGNOSSELVODC-QGZVFWFLSA-N 0 0 447.447 3.591 40 5 IHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408679837 556614858 /nfs/dbraw/zinc/61/48/58/556614858.db2.gz FKCZSWBDBKWNTB-RTBURBONSA-N 0 0 441.871 3.981 40 5 IHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408686001 556616114 /nfs/dbraw/zinc/61/61/14/556616114.db2.gz QVLYREFXBLNRAD-KDURUIRLSA-N 0 0 441.871 3.981 40 5 IHBBRN COc1ccc(-c2nnc(CN(C)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1OC ZINC000408713894 556617234 /nfs/dbraw/zinc/61/72/34/556617234.db2.gz CCVYFIRRJSMRKL-UHFFFAOYSA-N 0 0 432.820 3.588 40 5 IHBBRN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000408728443 556618171 /nfs/dbraw/zinc/61/81/71/556618171.db2.gz MNBQNXKSADPHCH-QQNJPBSNSA-N 0 0 438.439 3.735 40 5 IHBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409095295 556630199 /nfs/dbraw/zinc/63/01/99/556630199.db2.gz HCVCUWQUZCIPQC-WOJGMQOQSA-N 0 0 441.465 3.977 40 5 IHBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409136561 556631052 /nfs/dbraw/zinc/63/10/52/556631052.db2.gz XLCYMZVXQCEGAI-UHFFFAOYSA-N 0 0 442.457 3.821 40 5 IHBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000409179212 556632535 /nfs/dbraw/zinc/63/25/35/556632535.db2.gz PXQNCYSMSDRNLC-UHFFFAOYSA-N 0 0 447.359 3.661 40 5 IHBBRN COc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000409181889 556633372 /nfs/dbraw/zinc/63/33/72/556633372.db2.gz GMFPXVKFAKBFRR-UHFFFAOYSA-N 0 0 436.420 3.901 40 5 IHBBRN COc1ccc(-c2c(C)s/c(=N\C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2C)cc1 ZINC000409205281 556634276 /nfs/dbraw/zinc/63/42/76/556634276.db2.gz GXTCIPWHBYBMLY-VXPUYCOJSA-N 0 0 428.426 3.628 40 5 IHBBRN Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(C)c1 ZINC000017098254 556663034 /nfs/dbraw/zinc/66/30/34/556663034.db2.gz CIIGAQIXOGYRQA-UHFFFAOYSA-N 0 0 432.933 3.702 40 5 IHBBRN COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000409020049 556924310 /nfs/dbraw/zinc/92/43/10/556924310.db2.gz YUCACTHFNVTJQV-UHFFFAOYSA-N 0 0 428.470 3.893 40 5 IHBBRN Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Br)cc1 ZINC000409153701 556978840 /nfs/dbraw/zinc/97/88/40/556978840.db2.gz MQXUXXZQOOLGNA-UHFFFAOYSA-N 0 0 448.302 3.884 40 5 IHBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000409183208 556990245 /nfs/dbraw/zinc/99/02/45/556990245.db2.gz SOTSVWOXSOZDKS-UHFFFAOYSA-N 0 0 447.359 3.661 40 5 IHBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3OC)C2=O)cc1 ZINC000409182991 556990270 /nfs/dbraw/zinc/99/02/70/556990270.db2.gz QNEKCQAWOJTKKP-WOJGMQOQSA-N 0 0 441.465 3.841 40 5 IHBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(C)c1-c1ccc(OC)cc1 ZINC000409197073 556994724 /nfs/dbraw/zinc/99/47/24/556994724.db2.gz VGQIQGWZVLYGDY-MRCUWXFGSA-N 0 0 442.453 3.882 40 5 IHBBRN CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000409208353 556997246 /nfs/dbraw/zinc/99/72/46/556997246.db2.gz AVWHBGMUDOQRIJ-MFOYZWKCSA-N 0 0 429.454 3.663 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O ZINC000409353114 557080297 /nfs/dbraw/zinc/08/02/97/557080297.db2.gz GWCHISFFRWVIMS-VCHYOVAHSA-N 0 0 441.465 3.895 40 5 IHBBRN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220385564 557134177 /nfs/dbraw/zinc/13/41/77/557134177.db2.gz CKQFRLWVPZSSQO-ZDUSSCGKSA-N 0 0 425.894 3.658 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1cccc(Cl)c1C)S(C)(=O)=O ZINC000220385659 557134278 /nfs/dbraw/zinc/13/42/78/557134278.db2.gz IZMXHPNXVYYIFG-ZDUSSCGKSA-N 0 0 425.894 3.658 40 5 IHBBRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000220392859 557135636 /nfs/dbraw/zinc/13/56/36/557135636.db2.gz RKHOOBZKGOZSKK-SJORKVTESA-N 0 0 433.530 3.552 40 5 IHBBRN C[C@@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000220415792 557149765 /nfs/dbraw/zinc/14/97/65/557149765.db2.gz YQWMKULGIUDNRK-CVEARBPZSA-N 0 0 447.557 3.924 40 5 IHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000008640098 557170008 /nfs/dbraw/zinc/17/00/08/557170008.db2.gz BTDUTJDCSPAEBH-UHFFFAOYSA-N 0 0 430.511 3.811 40 5 IHBBRN Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101114866 557255973 /nfs/dbraw/zinc/25/59/73/557255973.db2.gz NMDCUQHAPVTSMT-FSSWDIPSSA-N 0 0 429.432 3.954 40 5 IHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCC2 ZINC000014137231 557308732 /nfs/dbraw/zinc/30/87/32/557308732.db2.gz QDQCYIAZHSSVJE-UHFFFAOYSA-N 0 0 428.392 3.632 40 5 IHBBRN C[C@@H]1CC[C@H]2[C@](C)(O)[C@@H]3CC[C@H]4[C@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N+]2([O-])C1 ZINC000103632997 557317322 /nfs/dbraw/zinc/31/73/22/557317322.db2.gz ZSDBUJBJWGVNKA-CNTYVZLOSA-N 0 0 446.652 3.790 40 5 IHBBRN CC(C)(C)OC(=O)NCCCC(=O)O[C@@H](C(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000014982721 557332052 /nfs/dbraw/zinc/33/20/52/557332052.db2.gz RWDPHHHAJOLVBA-QGZVFWFLSA-N 0 0 438.477 3.826 40 5 IHBBRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c(C)c1 ZINC000408550859 557416217 /nfs/dbraw/zinc/41/62/17/557416217.db2.gz FVGWEHSJIQXTBN-KRWDZBQOSA-N 0 0 431.514 3.559 40 5 IHBBRN Cn1c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2n(C)c1=O ZINC000408578886 557419055 /nfs/dbraw/zinc/41/90/55/557419055.db2.gz WINQXFSIYOBDCK-XSFVSMFZSA-N 0 0 428.448 3.965 40 5 IHBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(OC)c1OC ZINC000408564961 557419282 /nfs/dbraw/zinc/41/92/82/557419282.db2.gz ATSDHTJQDCBQGJ-GOSISDBHSA-N 0 0 430.486 3.712 40 5 IHBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)NCc1ccco1 ZINC000408603805 557421087 /nfs/dbraw/zinc/42/10/87/557421087.db2.gz HHCYKBICWSNLKW-VQHVLOKHSA-N 0 0 427.413 3.749 40 5 IHBBRN CSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1 ZINC000223066563 557424792 /nfs/dbraw/zinc/42/47/92/557424792.db2.gz QEICAPBAIRHHOW-FHSNZYRGSA-N 0 0 436.541 3.538 40 5 IHBBRN CSc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1 ZINC000223066746 557425140 /nfs/dbraw/zinc/42/51/40/557425140.db2.gz QEICAPBAIRHHOW-LXIYXOSZSA-N 0 0 436.541 3.538 40 5 IHBBRN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000408668798 557426859 /nfs/dbraw/zinc/42/68/59/557426859.db2.gz FGYJORNBRWUKGZ-UHFFFAOYSA-N 0 0 428.441 3.755 40 5 IHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000408666075 557427723 /nfs/dbraw/zinc/42/77/23/557427723.db2.gz NPVWBAXLMNKNQH-UHFFFAOYSA-N 0 0 449.847 3.548 40 5 IHBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000014822552 557458919 /nfs/dbraw/zinc/45/89/19/557458919.db2.gz VGFOPYJLAZXGPG-VGOFMYFVSA-N 0 0 429.498 3.811 40 5 IHBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000214764791 557459551 /nfs/dbraw/zinc/45/95/51/557459551.db2.gz UCZFYGAHNZUSPF-GZTJUZNOSA-N 0 0 427.438 3.669 40 5 IHBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccccc1 ZINC000106681326 557531312 /nfs/dbraw/zinc/53/13/12/557531312.db2.gz LVBYERBFTWUTBB-UYRXBGFRSA-N 0 0 425.466 3.668 40 5 IHBBRN CC(C)Oc1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000222364707 568638314 /nfs/dbraw/zinc/63/83/14/568638314.db2.gz VYVQAVNUSSYQRC-UHFFFAOYSA-N 0 0 435.502 3.567 40 5 IHBBRN Cc1ccc([C@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222378078 568639717 /nfs/dbraw/zinc/63/97/17/568639717.db2.gz HQNRVMZRVRJJPS-KRWDZBQOSA-N 0 0 433.530 3.635 40 5 IHBBRN CC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222536833 568651721 /nfs/dbraw/zinc/65/17/21/568651721.db2.gz FKNNKOOZKPYTIJ-MRXNPFEDSA-N 0 0 443.884 3.879 40 5 IHBBRN CS(=O)(=O)N(CCCC(=O)Nc1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000222684445 568657296 /nfs/dbraw/zinc/65/72/96/568657296.db2.gz YJVYRFCQSWQGMA-UHFFFAOYSA-N 0 0 427.482 3.933 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1cccc2ccccc21)S(C)(=O)=O ZINC000222883289 568736511 /nfs/dbraw/zinc/73/65/11/568736511.db2.gz UTSVZYIOGNQKSF-INIZCTEOSA-N 0 0 441.509 3.527 40 5 IHBBRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000218474195 568758719 /nfs/dbraw/zinc/75/87/19/568758719.db2.gz VHINUPPNRQFPDL-JTQLQIEISA-N 0 0 432.285 3.695 40 5 IHBBRN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222985799 568774538 /nfs/dbraw/zinc/77/45/38/568774538.db2.gz OJUVNMMQBZKZPR-JKSUJKDBSA-N 0 0 445.541 3.506 40 5 IHBBRN C[C@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223240202 568786542 /nfs/dbraw/zinc/78/65/42/568786542.db2.gz YLBLRZMYZHVMHT-INIZCTEOSA-N 0 0 445.541 3.507 40 5 IHBBRN CCOc1cc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OC(C)=O ZINC000001439194 568794632 /nfs/dbraw/zinc/79/46/32/568794632.db2.gz FXZBPMIUAAXSAW-OVCLIPMQSA-N 0 0 430.800 3.917 40 5 IHBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223407717 568824807 /nfs/dbraw/zinc/82/48/07/568824807.db2.gz FYZBJFKVYFGKLC-IBGZPJMESA-N 0 0 429.492 3.999 40 5 IHBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223869575 568877826 /nfs/dbraw/zinc/87/78/26/568877826.db2.gz ARNVBVBNMRLKMW-MRXNPFEDSA-N 0 0 427.476 3.753 40 5 IHBBRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 ZINC000223984221 568880318 /nfs/dbraw/zinc/88/03/18/568880318.db2.gz KSAZOENXWZKAGG-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN O=C(Nc1ccccc1-c1nc2ccccc2c(=O)[nH]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000036626608 569125040 /nfs/dbraw/zinc/12/50/40/569125040.db2.gz DXNPHHMSJBHESE-UHFFFAOYSA-N 0 0 431.364 3.659 40 5 IHBBRN O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000017096440 569172416 /nfs/dbraw/zinc/17/24/16/569172416.db2.gz VOEPVSRHDOMGHB-UHFFFAOYSA-N 0 0 429.458 3.620 40 5 IHBBRN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000017094264 569172631 /nfs/dbraw/zinc/17/26/31/569172631.db2.gz LOTZROVNKARITR-UHFFFAOYSA-N 0 0 425.228 3.772 40 5 IHBBRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224646194 569177824 /nfs/dbraw/zinc/17/78/24/569177824.db2.gz YWDBTOXYOSGJBO-MRXNPFEDSA-N 0 0 447.532 3.909 40 5 IHBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224940414 569194088 /nfs/dbraw/zinc/19/40/88/569194088.db2.gz DTJOKPMTKXHLCH-UHFFFAOYSA-N 0 0 433.269 3.578 40 5 IHBBRN CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224943646 569196508 /nfs/dbraw/zinc/19/65/08/569196508.db2.gz ATNZGFWUKYLLQH-OAQYLSRUSA-N 0 0 425.529 3.759 40 5 IHBBRN CCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225081658 569215597 /nfs/dbraw/zinc/21/55/97/569215597.db2.gz ZUIFCLCTRJTKMX-UHFFFAOYSA-N 0 0 426.878 3.623 40 5 IHBBRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 ZINC000015439189 569225482 /nfs/dbraw/zinc/22/54/82/569225482.db2.gz WGWHUGUOQNGANI-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C ZINC000024717568 569241854 /nfs/dbraw/zinc/24/18/54/569241854.db2.gz YPLLBJUUEAJCTL-UHFFFAOYSA-N 0 0 447.904 3.995 40 5 IHBBRN Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000009059166 569293276 /nfs/dbraw/zinc/29/32/76/569293276.db2.gz KRXPRBFQWSYELD-UHFFFAOYSA-N 0 0 432.893 3.720 40 5 IHBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccccc3)C2=O)cc1 ZINC000009216025 569294425 /nfs/dbraw/zinc/29/44/25/569294425.db2.gz AYUSIIUDFYQHOF-VSKRKVRLSA-N 0 0 429.432 3.954 40 5 IHBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000019162855 569316298 /nfs/dbraw/zinc/31/62/98/569316298.db2.gz HMYJQISQKNRJIN-UHFFFAOYSA-N 0 0 444.296 3.938 40 5 IHBBRN Cc1cc2c(c([N+](=O)[O-])c1)OC[C@](Cc1ccc(Cl)cc1)(CN1CCOCC1)C2=O ZINC000019596871 569322242 /nfs/dbraw/zinc/32/22/42/569322242.db2.gz UWTCWMJVGJKMLS-QFIPXVFZSA-N 0 0 430.888 3.693 40 5 IHBBRN Cc1c(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cccc1[N+](=O)[O-] ZINC000019869084 569331142 /nfs/dbraw/zinc/33/11/42/569331142.db2.gz FCBUUFKITVKYLY-UHFFFAOYSA-N 0 0 441.440 3.857 40 5 IHBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225524963 569403574 /nfs/dbraw/zinc/40/35/74/569403574.db2.gz VTCNYEHBVXTGSB-XMMPIXPASA-N 0 0 445.519 3.832 40 5 IHBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225752176 569408066 /nfs/dbraw/zinc/40/80/66/569408066.db2.gz HTKDZIRKRNLOHE-UWJYYQICSA-N 0 0 441.528 3.868 40 5 IHBBRN COc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003097853 569440087 /nfs/dbraw/zinc/44/00/87/569440087.db2.gz OKRPVNBQWMNBEM-UHFFFAOYSA-N 0 0 431.404 3.504 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)S(C)(=O)=O ZINC000030754476 569447666 /nfs/dbraw/zinc/44/76/66/569447666.db2.gz DKQMHLDWQCUYKU-IBGZPJMESA-N 0 0 433.530 3.573 40 5 IHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000217891327 569454589 /nfs/dbraw/zinc/45/45/89/569454589.db2.gz QIKKMPVVECNXSL-BQYQJAHWSA-N 0 0 429.230 3.737 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCc1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000218563362 569458542 /nfs/dbraw/zinc/45/85/42/569458542.db2.gz XXFHEOOOAJUBJR-UHFFFAOYSA-N 0 0 447.557 3.542 40 5 IHBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000008757438 569473403 /nfs/dbraw/zinc/47/34/03/569473403.db2.gz JZKWMYLBDZSCOC-FKBYEOEOSA-N 0 0 429.432 3.642 40 5 IHBBRN CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc21 ZINC000009030721 569497107 /nfs/dbraw/zinc/49/71/07/569497107.db2.gz LPGGCGWAMPTSGN-UHFFFAOYSA-N 0 0 430.438 3.902 40 5 IHBBRN CC[C@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022375306 522381587 /nfs/dbraw/zinc/38/15/87/522381587.db2.gz UYJAKYGFAOOUFW-IBGZPJMESA-N 0 0 433.530 3.554 40 5 IHBBRN Cc1cc(C)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c(C)c1 ZINC000022400400 524277213 /nfs/dbraw/zinc/27/72/13/524277213.db2.gz BKFIFXPHOKWFOD-UHFFFAOYSA-N 0 0 425.894 3.578 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000012403708 525465558 /nfs/dbraw/zinc/46/55/58/525465558.db2.gz IRFVDMSIEMBDIQ-UHFFFAOYSA-N 0 0 446.416 3.658 40 5 IHBBRN COc1ccc2[nH]c3nc(SCc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)nnc3c2c1 ZINC000012498561 525486207 /nfs/dbraw/zinc/48/62/07/525486207.db2.gz FLJBCJGJBZKUKS-UHFFFAOYSA-N 0 0 435.425 3.765 40 5 IHBBRN Cn1c2cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408531137 555729825 /nfs/dbraw/zinc/72/98/25/555729825.db2.gz MGBIANJSEKOYHO-LZYBPNLTSA-N 0 0 444.856 3.680 40 5 IHBBRN COC(=O)[C@H]1[C@H](c2ccccc2[N+](=O)[O-])C=C[C@H](c2ccccc2[N+](=O)[O-])[C@@H]1C(=O)OC ZINC000004551876 556456922 /nfs/dbraw/zinc/45/69/22/556456922.db2.gz CKXDGJUGYNDOKK-JSJNYSNDSA-N 0 0 440.408 3.519 40 5 IHBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408689010 556616642 /nfs/dbraw/zinc/61/66/42/556616642.db2.gz XMDCQXOMJHUDPW-OALUTQOASA-N 0 0 437.427 3.633 40 5 IHBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000408684427 556616660 /nfs/dbraw/zinc/61/66/60/556616660.db2.gz NHPCLFVNHZCURG-KDURUIRLSA-N 0 0 439.855 3.757 40 5 IHBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1CCc1ccccc1 ZINC000409207905 556634280 /nfs/dbraw/zinc/63/42/80/556634280.db2.gz CJWBPEIGNGENOY-HKWRFOASSA-N 0 0 439.493 3.710 40 5 IHBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714761 556714858 /nfs/dbraw/zinc/71/48/58/556714858.db2.gz AZZNJVKYNASAOE-QGZVFWFLSA-N 0 0 425.894 3.740 40 5 IHBBRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c1 ZINC000013749788 556725488 /nfs/dbraw/zinc/72/54/88/556725488.db2.gz QCMIGTMWYPLPKM-FKBYEOEOSA-N 0 0 429.432 3.954 40 5 IHBBRN CCOC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000205693378 556889501 /nfs/dbraw/zinc/88/95/01/556889501.db2.gz BNYDBPOEFZQBLP-WOJGMQOQSA-N 0 0 442.449 3.773 40 5 IHBBRN CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)C1 ZINC000408976446 556906215 /nfs/dbraw/zinc/90/62/15/556906215.db2.gz RHMAAQWOGNVPKS-KRWDZBQOSA-N 0 0 429.524 3.985 40 5 IHBBRN Cc1c(NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220197564 557005620 /nfs/dbraw/zinc/00/56/20/557005620.db2.gz AAMGLTAJRUCGKD-GFCCVEGCSA-N 0 0 445.419 3.715 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O ZINC000111507853 557045207 /nfs/dbraw/zinc/04/52/07/557045207.db2.gz YHRUJXPVGKUSOU-YVLHZVERSA-N 0 0 427.438 3.587 40 5 IHBBRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000220385497 557134282 /nfs/dbraw/zinc/13/42/82/557134282.db2.gz CKQFRLWVPZSSQO-CYBMUJFWSA-N 0 0 425.894 3.658 40 5 IHBBRN Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000220392808 557135627 /nfs/dbraw/zinc/13/56/27/557135627.db2.gz RKHOOBZKGOZSKK-DLBZAZTESA-N 0 0 433.530 3.552 40 5 IHBBRN CC[C@H](NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000220397241 557136096 /nfs/dbraw/zinc/13/60/96/557136096.db2.gz KRKFPKHXTDGTCI-XLIONFOSSA-N 0 0 447.557 3.942 40 5 IHBBRN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220412778 557149413 /nfs/dbraw/zinc/14/94/13/557149413.db2.gz AGMRJTUQBVOROQ-SNVBAGLBSA-N 0 0 432.285 3.695 40 5 IHBBRN C[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000220415644 557149800 /nfs/dbraw/zinc/14/98/00/557149800.db2.gz YQWMKULGIUDNRK-HZPDHXFCSA-N 0 0 447.557 3.924 40 5 IHBBRN COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1C ZINC000000787063 557175839 /nfs/dbraw/zinc/17/58/39/557175839.db2.gz YSSVEQKWJJZZPY-CYBMUJFWSA-N 0 0 427.486 3.827 40 5 IHBBRN COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101076565 557224950 /nfs/dbraw/zinc/22/49/50/557224950.db2.gz GFEQTTSYRQKZLP-FKBYEOEOSA-N 0 0 445.431 3.655 40 5 IHBBRN COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)cc1 ZINC000014375821 557336504 /nfs/dbraw/zinc/33/65/04/557336504.db2.gz JIPHOVVLKHFKRW-UHFFFAOYSA-N 0 0 440.481 3.816 40 5 IHBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220513678 557350545 /nfs/dbraw/zinc/35/05/45/557350545.db2.gz QPGAKJZUWVRSET-QGZVFWFLSA-N 0 0 425.894 3.740 40 5 IHBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220733633 557365554 /nfs/dbraw/zinc/36/55/54/557365554.db2.gz BJVVWAJPNOUKLB-QGZVFWFLSA-N 0 0 425.894 3.740 40 5 IHBBRN CCn1c2cc(Br)c(NC(=O)c3cccc([N+](=O)[O-])c3)cc2n(CC)c1=O ZINC000408534464 557415562 /nfs/dbraw/zinc/41/55/62/557415562.db2.gz QXNRJFXXYLQLCH-UHFFFAOYSA-N 0 0 433.262 3.766 40 5 IHBBRN CN1C[C@H](c2ccc(OCc3ccccc3)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564424 557418322 /nfs/dbraw/zinc/41/83/22/557418322.db2.gz CTZLCAYQFSRUGT-JHMXWDHMSA-N 0 0 429.476 3.788 40 5 IHBBRN Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000014087648 557419030 /nfs/dbraw/zinc/41/90/30/557419030.db2.gz GVIUXWIZZBXEKS-UHFFFAOYSA-N 0 0 433.877 3.687 40 5 IHBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000408571786 557419673 /nfs/dbraw/zinc/41/96/73/557419673.db2.gz PNBOSOPJISWGPT-GOSISDBHSA-N 0 0 429.458 3.993 40 5 IHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)c([N+](=O)[O-])c1 ZINC000408574446 557419990 /nfs/dbraw/zinc/41/99/90/557419990.db2.gz QROMYKURGYLTGJ-UHFFFAOYSA-N 0 0 433.464 3.887 40 5 IHBBRN C[C@H](Oc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1)C(=O)NC1CCCCC1 ZINC000408595822 557420802 /nfs/dbraw/zinc/42/08/02/557420802.db2.gz UZYQOVHVTAPWFH-HNNXBMFYSA-N 0 0 447.513 3.612 40 5 IHBBRN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000014134613 557422737 /nfs/dbraw/zinc/42/27/37/557422737.db2.gz VFVZHLOEPCNKSO-UHFFFAOYSA-N 0 0 435.440 3.828 40 5 IHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Br)cc2C)CC1=O ZINC000408639409 557423923 /nfs/dbraw/zinc/42/39/23/557423923.db2.gz GCRAUUUZAQAKJW-GFCCVEGCSA-N 0 0 448.273 3.666 40 5 IHBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3C)CC2=O)cc1[N+](=O)[O-] ZINC000408641788 557424453 /nfs/dbraw/zinc/42/44/53/557424453.db2.gz MZKDMDWFGQKFMG-CYBMUJFWSA-N 0 0 432.274 3.966 40 5 IHBBRN COc1ccc(-c2csc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 ZINC000014272495 557431892 /nfs/dbraw/zinc/43/18/92/557431892.db2.gz UQGCFIFXFZMMIX-UHFFFAOYSA-N 0 0 440.481 3.816 40 5 IHBBRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225380476 557716463 /nfs/dbraw/zinc/71/64/63/557716463.db2.gz OIRVZJKFHMMBGV-AWEZNQCLSA-N 0 0 435.933 3.645 40 5 IHBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)cc1 ZINC000260927005 568630438 /nfs/dbraw/zinc/63/04/38/568630438.db2.gz XRYVWVRGNHPBNC-STZQEDGTSA-N 0 0 449.536 3.932 40 5 IHBBRN CC[C@H](C(=O)Nc1cc(Cl)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222519803 568650074 /nfs/dbraw/zinc/65/00/74/568650074.db2.gz VSCPTGJJYNGDSP-QGZVFWFLSA-N 0 0 425.894 3.740 40 5 IHBBRN CC[C@@H](NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000222529529 568650528 /nfs/dbraw/zinc/65/05/28/568650528.db2.gz CXJLEZUZQSZLIT-WOJBJXKFSA-N 0 0 433.530 3.715 40 5 IHBBRN CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222537863 568651640 /nfs/dbraw/zinc/65/16/40/568651640.db2.gz RJFGSPVDHPNISM-GOSISDBHSA-N 0 0 433.530 3.957 40 5 IHBBRN CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222537935 568651755 /nfs/dbraw/zinc/65/17/55/568651755.db2.gz RJFGSPVDHPNISM-SFHVURJKSA-N 0 0 433.530 3.957 40 5 IHBBRN CS(=O)(=O)N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1F ZINC000222657740 568656467 /nfs/dbraw/zinc/65/64/67/568656467.db2.gz VXYXYAGJUHVTOX-UHFFFAOYSA-N 0 0 429.857 3.572 40 5 IHBBRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223197789 568784604 /nfs/dbraw/zinc/78/46/04/568784604.db2.gz NSHWFUXJJXXOPV-LJQANCHMSA-N 0 0 433.505 3.521 40 5 IHBBRN Cc1c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000223265526 568790523 /nfs/dbraw/zinc/79/05/23/568790523.db2.gz JPLDGYVZLNZWRB-UHFFFAOYSA-N 0 0 437.477 3.907 40 5 IHBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000006142158 568845255 /nfs/dbraw/zinc/84/52/55/568845255.db2.gz XFLYLUWAQGFVEE-BDTNDASRSA-N 0 0 429.432 3.954 40 5 IHBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223880645 568878209 /nfs/dbraw/zinc/87/82/09/568878209.db2.gz ZIJBLWDKAAICKG-ZDUSSCGKSA-N 0 0 438.311 3.998 40 5 IHBBRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016384014 568885863 /nfs/dbraw/zinc/88/58/63/568885863.db2.gz GETHLZDVKDAHNQ-UHFFFAOYSA-N 0 0 425.228 3.772 40 5 IHBBRN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cc1 ZINC000224041823 568887609 /nfs/dbraw/zinc/88/76/09/568887609.db2.gz CXUBKSIRAIKQTQ-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN COc1cc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1NC(=O)C(C)C ZINC000017096905 569172518 /nfs/dbraw/zinc/17/25/18/569172518.db2.gz JGSVKFBBRDEVTK-UHFFFAOYSA-N 0 0 430.486 3.633 40 5 IHBBRN CC(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000017096186 569172865 /nfs/dbraw/zinc/17/28/65/569172865.db2.gz JWULKNAXMNCKJA-VQHVLOKHSA-N 0 0 428.876 3.569 40 5 IHBBRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)c(F)c1F ZINC000017101705 569173724 /nfs/dbraw/zinc/17/37/24/569173724.db2.gz RFXSHPXOYGOPDB-UHFFFAOYSA-N 0 0 437.758 3.940 40 5 IHBBRN COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225078082 569214243 /nfs/dbraw/zinc/21/42/43/569214243.db2.gz STHUPPPPEUVIKY-UHFFFAOYSA-N 0 0 433.269 3.578 40 5 IHBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccccc2O)cc1 ZINC000009062381 569219493 /nfs/dbraw/zinc/21/94/93/569219493.db2.gz NCHDFAFQAOVXJJ-UHFFFAOYSA-N 0 0 445.391 3.855 40 5 IHBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)c(C)c1 ZINC000034851408 569247782 /nfs/dbraw/zinc/24/77/82/569247782.db2.gz ABEMYJMVXSABLX-UHFFFAOYSA-N 0 0 441.513 3.958 40 5 IHBBRN Cc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1[N+](=O)[O-] ZINC000107584311 569250437 /nfs/dbraw/zinc/25/04/37/569250437.db2.gz JQLKBOFUFSGZSU-ODLFYWEKSA-N 0 0 437.477 3.524 40 5 IHBBRN O=c1/c(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)sc2nc3ccccc3n12 ZINC000166470574 569255262 /nfs/dbraw/zinc/25/52/62/569255262.db2.gz HEHFSBDNFVSRTP-BKUYFWCQSA-N 0 0 429.457 3.944 40 5 IHBBRN CC[C@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225217919 569274053 /nfs/dbraw/zinc/27/40/53/569274053.db2.gz FAVMGVNDEVEMQU-LJQANCHMSA-N 0 0 447.557 3.585 40 5 IHBBRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008831464 569290901 /nfs/dbraw/zinc/29/09/01/569290901.db2.gz CTXOJRFKYKEMDW-UHFFFAOYSA-N 0 0 440.437 3.576 40 5 IHBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nn12 ZINC000010010264 569299091 /nfs/dbraw/zinc/29/90/91/569299091.db2.gz QFQSJPDJNHNWQS-UHFFFAOYSA-N 0 0 438.469 3.893 40 5 IHBBRN CC[C@H](NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000260504140 569306879 /nfs/dbraw/zinc/30/68/79/569306879.db2.gz CXJLEZUZQSZLIT-PMACEKPBSA-N 0 0 433.530 3.715 40 5 IHBBRN CC[C@H](C(=O)N[C@H](C)c1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260507815 569307000 /nfs/dbraw/zinc/30/70/00/569307000.db2.gz OPBNIELTEXJZAB-YLJYHZDGSA-N 0 0 447.557 3.942 40 5 IHBBRN CC[C@@H](C(=O)N[C@H](C)c1ccc(C)c(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260507457 569307006 /nfs/dbraw/zinc/30/70/06/569307006.db2.gz LRZSHUIVQRDLGH-UZLBHIALSA-N 0 0 433.530 3.634 40 5 IHBBRN O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000019630086 569323997 /nfs/dbraw/zinc/32/39/97/569323997.db2.gz GZBTYOSREDPBAK-UHFFFAOYSA-N 0 0 439.541 3.922 40 5 IHBBRN CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000095909134 569375079 /nfs/dbraw/zinc/37/50/79/569375079.db2.gz JPFAGBAZQUWDQJ-OTWHNJEPSA-N 0 0 429.860 3.895 40 5 IHBBRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225575584 569404829 /nfs/dbraw/zinc/40/48/29/569404829.db2.gz IGULUUYKLJXBGI-INIZCTEOSA-N 0 0 447.532 3.909 40 5 IHBBRN CCOc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)cc1 ZINC000012877262 520883807 /nfs/dbraw/zinc/88/38/07/520883807.db2.gz YWUKKNGTORHTHY-UHFFFAOYSA-N 0 0 441.484 3.536 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1 ZINC000022392847 526078410 /nfs/dbraw/zinc/07/84/10/526078410.db2.gz GVRSJZSQGMOKKL-UHFFFAOYSA-N 0 0 449.485 3.938 40 5 IHBBRN Cc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000017098255 526143038 /nfs/dbraw/zinc/14/30/38/526143038.db2.gz BZVJENXGELYCQS-UHFFFAOYSA-N 0 0 432.933 3.702 40 5 IHBBRN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccccc1 ZINC000408551363 555858953 /nfs/dbraw/zinc/85/89/53/555858953.db2.gz KKSBTSOJTOKFEB-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)c(C)c1 ZINC000035201813 555997578 /nfs/dbraw/zinc/99/75/78/555997578.db2.gz LNSYRQUULDIQIA-UHFFFAOYSA-N 0 0 441.513 3.958 40 5 IHBBRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000009664035 556304872 /nfs/dbraw/zinc/30/48/72/556304872.db2.gz AJXLXQFCVVLZFO-UHFFFAOYSA-N 0 0 427.486 3.536 40 5 IHBBRN Cc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408654986 556613485 /nfs/dbraw/zinc/61/34/85/556613485.db2.gz RCANHVUJGWENBY-DZGCQCFKSA-N 0 0 430.844 3.724 40 5 IHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000408676158 556614232 /nfs/dbraw/zinc/61/42/32/556614232.db2.gz AETKJPDMURMFQU-IRXDYDNUSA-N 0 0 439.855 3.757 40 5 IHBBRN COc1ccc(NC(=O)c2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)c(OC)c1 ZINC000408673397 556614269 /nfs/dbraw/zinc/61/42/69/556614269.db2.gz RYJPLGMORZADJY-UHFFFAOYSA-N 0 0 447.403 3.665 40 5 IHBBRN Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cccc1[N+](=O)[O-] ZINC000408701270 556617681 /nfs/dbraw/zinc/61/76/81/556617681.db2.gz VFNLLPCWPNMRHR-UHFFFAOYSA-N 0 0 437.905 3.984 40 5 IHBBRN COCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000409145094 556631540 /nfs/dbraw/zinc/63/15/40/556631540.db2.gz PXPGTEWPQCIYON-LICLKQGHSA-N 0 0 445.409 3.978 40 5 IHBBRN O=C(CSc1nnnn1-c1ccccc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000409412500 556640023 /nfs/dbraw/zinc/64/00/23/556640023.db2.gz PSVKEFPPPZSMAV-UHFFFAOYSA-N 0 0 425.257 3.608 40 5 IHBBRN O=c1c2cc3c(ccn(-c4nc(C5CCCCC5)n[nH]4)c3=O)nc2ccn1Cc1ccco1 ZINC000040399035 556641446 /nfs/dbraw/zinc/64/14/46/556641446.db2.gz XQWZMRXPBWZNPH-UHFFFAOYSA-N 0 0 442.479 3.508 40 5 IHBBRN Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000013689538 556711465 /nfs/dbraw/zinc/71/14/65/556711465.db2.gz IOSCYWBRIHXQPY-FKBYEOEOSA-N 0 0 429.432 3.954 40 5 IHBBRN CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409000383 556914325 /nfs/dbraw/zinc/91/43/25/556914325.db2.gz WCALBJLZTRMOME-QRWLVFNGSA-N 0 0 428.441 3.662 40 5 IHBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCC1=CCCCC1 ZINC000409025738 556925809 /nfs/dbraw/zinc/92/58/09/556925809.db2.gz ZWZUNRGNVUJQBX-UHFFFAOYSA-N 0 0 443.525 3.797 40 5 IHBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409162565 556981219 /nfs/dbraw/zinc/98/12/19/556981219.db2.gz FYTRLOYHCWIBMV-SXGWCWSVSA-N 0 0 447.856 3.932 40 5 IHBBRN COc1ccccc1N1C(=O)c2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000409176716 556986254 /nfs/dbraw/zinc/98/62/54/556986254.db2.gz VWHFIGWJFSYPJS-UHFFFAOYSA-N 0 0 432.388 3.761 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000220197247 557005556 /nfs/dbraw/zinc/00/55/56/557005556.db2.gz HHHQRJDGKCOSOU-GFCCVEGCSA-N 0 0 445.419 3.715 40 5 IHBBRN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000409412276 557104448 /nfs/dbraw/zinc/10/44/48/557104448.db2.gz DVNHGRPSNSFPIC-UHFFFAOYSA-N 0 0 430.631 3.919 40 5 IHBBRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000220392740 557135519 /nfs/dbraw/zinc/13/55/19/557135519.db2.gz RKHOOBZKGOZSKK-IAGOWNOFSA-N 0 0 433.530 3.552 40 5 IHBBRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 ZINC000220396036 557135851 /nfs/dbraw/zinc/13/58/51/557135851.db2.gz RRPANXKMAIWSCC-IAGOWNOFSA-N 0 0 433.530 3.552 40 5 IHBBRN CC[C@@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000220424043 557154765 /nfs/dbraw/zinc/15/47/65/557154765.db2.gz RJTPYAWCGQUDKC-OXJNMPFZSA-N 0 0 433.530 3.634 40 5 IHBBRN CCCOc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccccc2[C@@H]2C(=O)NC(SC)=NN12 ZINC000588229105 557155354 /nfs/dbraw/zinc/15/53/54/557155354.db2.gz FDGZPTMNJUPALL-QZTJIDSGSA-N 0 0 427.486 3.615 40 5 IHBBRN CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000014121485 557307126 /nfs/dbraw/zinc/30/71/26/557307126.db2.gz QMOGGZCITQUUDD-UHFFFAOYSA-N 0 0 427.486 3.824 40 5 IHBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F ZINC000408563264 557417077 /nfs/dbraw/zinc/41/70/77/557417077.db2.gz KJEHHBBPRIBOAD-KRWDZBQOSA-N 0 0 443.765 3.515 40 5 IHBBRN Cn1c(Sc2ccc([N+](=O)[O-])c3nonc32)nnc1-c1cc(Br)ccc1O ZINC000408607450 557421394 /nfs/dbraw/zinc/42/13/94/557421394.db2.gz SCSRVVVIYHKMRB-UHFFFAOYSA-N 0 0 449.246 3.546 40 5 IHBBRN COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(I)c1OC ZINC000408617705 557422210 /nfs/dbraw/zinc/42/22/10/557422210.db2.gz DNLVHIUGTAWWDU-UHFFFAOYSA-N 0 0 442.209 3.777 40 5 IHBBRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408637643 557423645 /nfs/dbraw/zinc/42/36/45/557423645.db2.gz MIAYMSVTYHKQSE-UHFFFAOYSA-N 0 0 445.457 3.874 40 5 IHBBRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1Sc1ccc([N+](=O)[O-])cc1C=O ZINC000408638595 557423854 /nfs/dbraw/zinc/42/38/54/557423854.db2.gz SLSCKZSQBORGJL-UHFFFAOYSA-N 0 0 428.470 3.778 40 5 IHBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000408666018 557426405 /nfs/dbraw/zinc/42/64/05/557426405.db2.gz NFJANNMXVGCCDR-UHFFFAOYSA-N 0 0 433.848 3.847 40 5 IHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)c1 ZINC000408666017 557427328 /nfs/dbraw/zinc/42/73/28/557427328.db2.gz NDTHPTYPXYHZFC-UHFFFAOYSA-N 0 0 449.847 3.548 40 5 IHBBRN CCC(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000014273504 557433261 /nfs/dbraw/zinc/43/32/61/557433261.db2.gz WDRVZLCIFOLFNW-CSKARUKUSA-N 0 0 442.903 3.959 40 5 IHBBRN CCc1ccc(CC)c(CNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000225358913 557713826 /nfs/dbraw/zinc/71/38/26/557713826.db2.gz SSTIVRVUIQIVSE-UHFFFAOYSA-N 0 0 447.557 3.582 40 5 IHBBRN Cc1ccc(-n2c(SCCN3CCOCC3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000886822 557851372 /nfs/dbraw/zinc/85/13/72/557851372.db2.gz FBQFAOAKRSZASO-UHFFFAOYSA-N 0 0 425.514 3.575 40 5 IHBBRN Cc1ccc([C@@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 ZINC000222367451 568638212 /nfs/dbraw/zinc/63/82/12/568638212.db2.gz SSRLTBHJACZDOO-QGZVFWFLSA-N 0 0 433.530 3.635 40 5 IHBBRN Cc1ccc(C)c([C@@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000222365672 568638330 /nfs/dbraw/zinc/63/83/30/568638330.db2.gz WNSDEWMBVRWDIS-QGZVFWFLSA-N 0 0 433.530 3.635 40 5 IHBBRN CC[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222516062 568649843 /nfs/dbraw/zinc/64/98/43/568649843.db2.gz MCJFOHQGIIOZPS-MRXNPFEDSA-N 0 0 445.419 3.797 40 5 IHBBRN CC[C@H](C(=O)Nc1cccc(Cl)c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222519956 568650060 /nfs/dbraw/zinc/65/00/60/568650060.db2.gz TWVLXRUXNCRDPY-QGZVFWFLSA-N 0 0 425.894 3.740 40 5 IHBBRN CC[C@H](C(=O)Nc1ccc(OC(C)C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222524796 568650303 /nfs/dbraw/zinc/65/03/03/568650303.db2.gz PKRWIKQODOBOTO-LJQANCHMSA-N 0 0 435.502 3.565 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000015271452 568752776 /nfs/dbraw/zinc/75/27/76/568752776.db2.gz LHYDSBAPGPCKIS-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN COc1cc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000001438634 568794600 /nfs/dbraw/zinc/79/46/00/568794600.db2.gz WWWKTCVDZFZVIP-OAQYLSRUSA-N 0 0 448.435 3.524 40 5 IHBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 ZINC000223320072 568795606 /nfs/dbraw/zinc/79/56/06/568795606.db2.gz XFFRQQOMRJNGIN-BWAGFHJFSA-N 0 0 449.536 3.932 40 5 IHBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 ZINC000223320168 568795617 /nfs/dbraw/zinc/79/56/17/568795617.db2.gz XFFRQQOMRJNGIN-NYVOZVTQSA-N 0 0 449.536 3.932 40 5 IHBBRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000015961906 568860086 /nfs/dbraw/zinc/86/00/86/568860086.db2.gz RWZIYJQWQUWXBT-UHFFFAOYSA-N 0 0 440.334 3.611 40 5 IHBBRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223845146 568877626 /nfs/dbraw/zinc/87/76/26/568877626.db2.gz BLOASUCXADOBOI-MRXNPFEDSA-N 0 0 447.532 3.911 40 5 IHBBRN COc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000224048558 568887520 /nfs/dbraw/zinc/88/75/20/568887520.db2.gz MDRZLLSGCKABQA-KRWDZBQOSA-N 0 0 439.512 3.622 40 5 IHBBRN COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)cc1 ZINC000224060484 568902901 /nfs/dbraw/zinc/90/29/01/568902901.db2.gz FIIJXEXUMBJVDE-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224095214 568905253 /nfs/dbraw/zinc/90/52/53/568905253.db2.gz SWIOHMRDGKMWLA-HXUWFJFHSA-N 0 0 429.542 3.772 40 5 IHBBRN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000017083392 569172254 /nfs/dbraw/zinc/17/22/54/569172254.db2.gz APNWYJXJEZLMDN-HXUWFJFHSA-N 0 0 447.285 3.965 40 5 IHBBRN CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000017096187 569172491 /nfs/dbraw/zinc/17/24/91/569172491.db2.gz SCEHVNNYUNVXAK-VMPITWQZSA-N 0 0 428.876 3.569 40 5 IHBBRN COc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cccs1 ZINC000017095359 569172527 /nfs/dbraw/zinc/17/25/27/569172527.db2.gz FIBQIOBREVUFSX-UHFFFAOYSA-N 0 0 427.438 3.935 40 5 IHBBRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c(F)c1F ZINC000017101707 569173694 /nfs/dbraw/zinc/17/36/94/569173694.db2.gz FVDKDGUZHVISOE-UHFFFAOYSA-N 0 0 437.758 3.940 40 5 IHBBRN CCOC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224786715 569186814 /nfs/dbraw/zinc/18/68/14/569186814.db2.gz KIYHTSZTIFKZFE-UHFFFAOYSA-N 0 0 447.296 3.968 40 5 IHBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225060228 569215085 /nfs/dbraw/zinc/21/50/85/569215085.db2.gz YTIHRZRLIMJNIC-UHFFFAOYSA-N 0 0 444.465 3.515 40 5 IHBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225068128 569215190 /nfs/dbraw/zinc/21/51/90/569215190.db2.gz GEDLOFSSYCUGMV-UHFFFAOYSA-N 0 0 434.857 3.770 40 5 IHBBRN C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000010111921 569221266 /nfs/dbraw/zinc/22/12/66/569221266.db2.gz IGVFPPIHNFGNIW-HNNXBMFYSA-N 0 0 433.530 3.536 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000010371894 569224163 /nfs/dbraw/zinc/22/41/63/569224163.db2.gz UUMCRLBPESUUNO-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000010433819 569224218 /nfs/dbraw/zinc/22/42/18/569224218.db2.gz SGHRIUQNGRITMP-ZDUSSCGKSA-N 0 0 425.894 3.658 40 5 IHBBRN Cc1cccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 ZINC000033562982 569244544 /nfs/dbraw/zinc/24/45/44/569244544.db2.gz JSKVBOICYULDGR-UHFFFAOYSA-N 0 0 438.528 3.621 40 5 IHBBRN CCc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000109015776 569253418 /nfs/dbraw/zinc/25/34/18/569253418.db2.gz JJNTVVSJTCRWSG-UHFFFAOYSA-N 0 0 432.933 3.648 40 5 IHBBRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018087955 569284782 /nfs/dbraw/zinc/28/47/82/569284782.db2.gz NCUNSLYYVYSWPP-FKBYEOEOSA-N 0 0 445.431 3.655 40 5 IHBBRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008902416 569292091 /nfs/dbraw/zinc/29/20/91/569292091.db2.gz BWKFIWFAEPSVJM-UHFFFAOYSA-N 0 0 426.256 3.999 40 5 IHBBRN O=C(c1ccccc1Br)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000009541870 569297190 /nfs/dbraw/zinc/29/71/90/569297190.db2.gz FBXPOOKLJAVWBX-UHFFFAOYSA-N 0 0 447.314 3.929 40 5 IHBBRN CC[C@@H](NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000260504148 569306903 /nfs/dbraw/zinc/30/69/03/569306903.db2.gz CXJLEZUZQSZLIT-UXHICEINSA-N 0 0 433.530 3.715 40 5 IHBBRN Cc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)n2)cc1 ZINC000013083883 569309389 /nfs/dbraw/zinc/30/93/89/569309389.db2.gz VGXBPSYLTQAABT-INIZCTEOSA-N 0 0 428.470 3.522 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O ZINC000260836505 569311919 /nfs/dbraw/zinc/31/19/19/569311919.db2.gz QCGQZZKNIKWNNL-MRXNPFEDSA-N 0 0 441.509 3.527 40 5 IHBBRN O=[N+]([O-])c1ccc(N2CCN([C@@H](c3cccs3)c3nnnn3C3CCCC3)CC2)cc1 ZINC000019343017 569318748 /nfs/dbraw/zinc/31/87/48/569318748.db2.gz PDDOMAIIKJICJH-FQEVSTJZSA-N 0 0 439.545 3.670 40 5 IHBBRN CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1[N+](=O)[O-] ZINC000019645822 569325009 /nfs/dbraw/zinc/32/50/09/569325009.db2.gz LTBWGXJBBQWBTA-UHFFFAOYSA-N 0 0 447.454 3.638 40 5 IHBBRN Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000022460572 569403158 /nfs/dbraw/zinc/40/31/58/569403158.db2.gz SZBBVHPTBYCOFR-CQSZACIVSA-N 0 0 437.905 3.596 40 5 IHBBRN CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225682829 569406906 /nfs/dbraw/zinc/40/69/06/569406906.db2.gz RKCBVTCIPDNGJI-SFHVURJKSA-N 0 0 443.569 3.812 40 5 IHBBRN COc1ccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1[N+](=O)[O-] ZINC000057317278 569430718 /nfs/dbraw/zinc/43/07/18/569430718.db2.gz GROAWXBUWUHUNC-UHFFFAOYSA-N 0 0 447.772 3.776 40 5 IHBBRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000020611269 523350042 /nfs/dbraw/zinc/35/00/42/523350042.db2.gz MOYDLBPPUYQEMY-UHFFFAOYSA-N 0 0 433.424 3.907 40 5 IHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)c(Br)c1 ZINC000020611600 527629277 /nfs/dbraw/zinc/62/92/77/527629277.db2.gz KXJYZHDWSYTIDE-QPJJXVBHSA-N 0 0 432.274 3.846 40 5 IHBBRN CCOc1ccccc1-c1nc(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)n[nH]1 ZINC000408553583 555871880 /nfs/dbraw/zinc/87/18/80/555871880.db2.gz AUJNOJATHHCHNT-UHFFFAOYSA-N 0 0 429.458 3.518 40 5 IHBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000408684431 556084208 /nfs/dbraw/zinc/08/42/08/556084208.db2.gz NHPCLFVNHZCURG-RTBURBONSA-N 0 0 439.855 3.757 40 5 IHBBRN O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Cl)cc2)cc1 ZINC000032640689 556412982 /nfs/dbraw/zinc/41/29/82/556412982.db2.gz OPAHJUDCDSPLFT-DLBZAZTESA-N 0 0 437.930 3.523 40 5 IHBBRN O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000031904085 556527698 /nfs/dbraw/zinc/52/76/98/556527698.db2.gz ONNUWCJWNIJTJA-UHFFFAOYSA-N 0 0 442.471 3.633 40 5 IHBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408679414 556614520 /nfs/dbraw/zinc/61/45/20/556614520.db2.gz DYXVCPZKFOTQCJ-CCKFTAQKSA-N 0 0 439.443 3.713 40 5 IHBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408678159 556615133 /nfs/dbraw/zinc/61/51/33/556615133.db2.gz CQVGVGYLPXLYBX-HFTRVMKXSA-N 0 0 439.443 3.713 40 5 IHBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408684419 556616304 /nfs/dbraw/zinc/61/63/04/556616304.db2.gz NGLYNGJHGHCLCW-AEFFLSMTSA-N 0 0 437.427 3.633 40 5 IHBBRN CCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408736375 556619205 /nfs/dbraw/zinc/61/92/05/556619205.db2.gz BFZUQJJQFVJZFI-QFIPXVFZSA-N 0 0 431.492 3.590 40 5 IHBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000409090606 556630188 /nfs/dbraw/zinc/63/01/88/556630188.db2.gz ROHXYKTUNITBHS-XDHOZWIPSA-N 0 0 446.419 3.695 40 5 IHBBRN COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409141619 556631676 /nfs/dbraw/zinc/63/16/76/556631676.db2.gz JGTLUTATLHCEPV-XDHOZWIPSA-N 0 0 444.465 3.865 40 5 IHBBRN Cc1c(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220034890 556810244 /nfs/dbraw/zinc/81/02/44/556810244.db2.gz INZDYNGBENGAIN-UHFFFAOYSA-N 0 0 447.513 3.629 40 5 IHBBRN Cc1c(N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220036680 556810415 /nfs/dbraw/zinc/81/04/15/556810415.db2.gz QSXHKQDVBQRGFW-SFHVURJKSA-N 0 0 433.530 3.573 40 5 IHBBRN Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1\N=C(c2ccccc2)OC1=O ZINC000408997447 556912663 /nfs/dbraw/zinc/91/26/63/556912663.db2.gz GEKZTEUYIQEXHQ-BOPFTXTBSA-N 0 0 433.380 3.650 40 5 IHBBRN COc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000409051056 556932795 /nfs/dbraw/zinc/93/27/95/556932795.db2.gz HQWCJIHGCZATKO-WQRHYEAKSA-N 0 0 430.438 3.727 40 5 IHBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000409178224 556986916 /nfs/dbraw/zinc/98/69/16/556986916.db2.gz LFVSBPIVBKGENF-UHFFFAOYSA-N 0 0 447.359 3.661 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1cccc2ccccc21)S(C)(=O)=O ZINC000220380044 557133674 /nfs/dbraw/zinc/13/36/74/557133674.db2.gz YLLWLTIKYOGGAF-OAHLLOKOSA-N 0 0 427.482 3.850 40 5 IHBBRN CC[C@@H](NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1C ZINC000220397589 557136209 /nfs/dbraw/zinc/13/62/09/557136209.db2.gz HOGNSEGFAVGNDR-FXAWDEMLSA-N 0 0 447.557 3.942 40 5 IHBBRN CC[C@@H](NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000220397188 557136270 /nfs/dbraw/zinc/13/62/70/557136270.db2.gz KRKFPKHXTDGTCI-YLJYHZDGSA-N 0 0 447.557 3.942 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O ZINC000260512442 557167954 /nfs/dbraw/zinc/16/79/54/557167954.db2.gz WQKSULSICQUVMJ-GOSISDBHSA-N 0 0 447.557 3.587 40 5 IHBBRN Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C1=O ZINC000101136386 557261409 /nfs/dbraw/zinc/26/14/09/557261409.db2.gz LYHURZVPPLFWJW-FSSWDIPSSA-N 0 0 429.432 3.954 40 5 IHBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)N1CCCC1 ZINC000205911265 557296392 /nfs/dbraw/zinc/29/63/92/557296392.db2.gz IMISUIHWIJWTQM-GZTJUZNOSA-N 0 0 427.438 3.514 40 5 IHBBRN O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014269939 557332701 /nfs/dbraw/zinc/33/27/01/557332701.db2.gz KPVFSGXTXVATSJ-UHFFFAOYSA-N 0 0 449.876 3.883 40 5 IHBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccccc1F)S(C)(=O)=O ZINC000220600056 557353089 /nfs/dbraw/zinc/35/30/89/557353089.db2.gz ZLUGENWXMJMIFV-OAHLLOKOSA-N 0 0 429.857 3.571 40 5 IHBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(OC)ccc2OC)cc1 ZINC000408565277 557418671 /nfs/dbraw/zinc/41/86/71/557418671.db2.gz BMZKDRROZXDXHW-IBGZPJMESA-N 0 0 430.486 3.712 40 5 IHBBRN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565370 557418688 /nfs/dbraw/zinc/41/86/88/557418688.db2.gz JZEOZYJXRGHPOL-QFZRFWILSA-N 0 0 447.466 3.927 40 5 IHBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OC)c(OC)c2)cc1 ZINC000408572439 557419063 /nfs/dbraw/zinc/41/90/63/557419063.db2.gz RDUFVRZLSGINKJ-IBGZPJMESA-N 0 0 430.486 3.712 40 5 IHBBRN CCCOc1ccc(C(=O)N2CCN(c3ccc(C(=O)OCC)cc3[N+](=O)[O-])CC2)cc1 ZINC000408571466 557419242 /nfs/dbraw/zinc/41/92/42/557419242.db2.gz BYSDHOOPYAFVBC-UHFFFAOYSA-N 0 0 441.484 3.523 40 5 IHBBRN COc1ccc(NC(=O)CSc2nc(C34CC5CC(CC(C5)C3)C4)n[nH]2)c([N+](=O)[O-])c1 ZINC000408583409 557420599 /nfs/dbraw/zinc/42/05/99/557420599.db2.gz UIKWPWZPLFACHF-UHFFFAOYSA-N 0 0 443.529 3.920 40 5 IHBBRN CCc1ccc(NC(=O)COc2ccc(C=Cc3nc(O)c([N+](=O)[O-])c(O)n3)cc2)cc1 ZINC000408602766 557421073 /nfs/dbraw/zinc/42/10/73/557421073.db2.gz DPZZXPQTEZAZJX-KPKJPENVSA-N 0 0 436.424 3.546 40 5 IHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Br)cc2C)CC1=O ZINC000408639410 557423856 /nfs/dbraw/zinc/42/38/56/557423856.db2.gz GCRAUUUZAQAKJW-LBPRGKRZSA-N 0 0 448.273 3.666 40 5 IHBBRN Cc1c(Cl)cccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000408664572 557426339 /nfs/dbraw/zinc/42/63/39/557426339.db2.gz RIDLLNWYTCWZPL-UHFFFAOYSA-N 0 0 433.848 3.847 40 5 IHBBRN O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1Cl ZINC000408666573 557426941 /nfs/dbraw/zinc/42/69/41/557426941.db2.gz RCGUQRWCOIONMT-UHFFFAOYSA-N 0 0 440.239 3.802 40 5 IHBBRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224633139 557633995 /nfs/dbraw/zinc/63/39/95/557633995.db2.gz SOPZHQNWMHEUSW-QGZVFWFLSA-N 0 0 429.542 3.772 40 5 IHBBRN Cc1ccc(C)c([C@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000222377161 568639747 /nfs/dbraw/zinc/63/97/47/568639747.db2.gz QQTJGPNDGCBFSM-SFHVURJKSA-N 0 0 447.557 3.944 40 5 IHBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222504540 568649360 /nfs/dbraw/zinc/64/93/60/568649360.db2.gz PRFCWIUFKLRECT-LAUBAEHRSA-N 0 0 441.528 3.868 40 5 IHBBRN CC[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222520191 568650082 /nfs/dbraw/zinc/65/00/82/568650082.db2.gz PSGKRPONDBCQOJ-INIZCTEOSA-N 0 0 445.419 3.797 40 5 IHBBRN CC[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222524028 568650285 /nfs/dbraw/zinc/65/02/85/568650285.db2.gz DAUDXTNVTUNMKX-MRXNPFEDSA-N 0 0 445.419 3.797 40 5 IHBBRN CC[C@H](C(=O)Nc1cccc(SC)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222536659 568651649 /nfs/dbraw/zinc/65/16/49/568651649.db2.gz PEMYMBLJZPNOFG-QGZVFWFLSA-N 0 0 437.543 3.808 40 5 IHBBRN CC[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222810027 568661224 /nfs/dbraw/zinc/66/12/24/568661224.db2.gz JEOSCQQLSNUNRV-OAQYLSRUSA-N 0 0 441.509 3.609 40 5 IHBBRN COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000015303430 568755033 /nfs/dbraw/zinc/75/50/33/568755033.db2.gz ANRQOYQGXDAGBG-UHFFFAOYSA-N 0 0 425.363 3.711 40 5 IHBBRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223062266 568778630 /nfs/dbraw/zinc/77/86/30/568778630.db2.gz VHLIRPQLDHXNDI-HXUWFJFHSA-N 0 0 429.542 3.690 40 5 IHBBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000223067540 568778771 /nfs/dbraw/zinc/77/87/71/568778771.db2.gz GHDBVTOGHUKKIN-NHCUHLMSSA-N 0 0 437.525 3.790 40 5 IHBBRN C[C@@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223240154 568786474 /nfs/dbraw/zinc/78/64/74/568786474.db2.gz YLBLRZMYZHVMHT-MRXNPFEDSA-N 0 0 445.541 3.507 40 5 IHBBRN CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000001919074 568859269 /nfs/dbraw/zinc/85/92/69/568859269.db2.gz JAJGPNJSIHNFEW-UHFFFAOYSA-N 0 0 432.454 3.507 40 5 IHBBRN Cc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1[N+](=O)[O-] ZINC000223581770 568875755 /nfs/dbraw/zinc/87/57/55/568875755.db2.gz CUZFITCSGFBTOC-UHFFFAOYSA-N 0 0 430.486 3.729 40 5 IHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2 ZINC000006232601 568880582 /nfs/dbraw/zinc/88/05/82/568880582.db2.gz ZMSAXUCSJZMEOC-UHFFFAOYSA-N 0 0 439.497 3.884 40 5 IHBBRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C)cc1 ZINC000224013337 568880672 /nfs/dbraw/zinc/88/06/72/568880672.db2.gz WTCBGKWCNIPFDN-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016384007 568885869 /nfs/dbraw/zinc/88/58/69/568885869.db2.gz MEMGHWBNHVVJNB-UHFFFAOYSA-N 0 0 425.228 3.772 40 5 IHBBRN O=C1N(c2ccccc2)N=C(c2ccc([N+](=O)[O-])cc2)C1(Br)Br ZINC000016488568 568915247 /nfs/dbraw/zinc/91/52/47/568915247.db2.gz ACCNNJDISRCSFH-UHFFFAOYSA-N 0 0 439.063 3.832 40 5 IHBBRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224596016 568940942 /nfs/dbraw/zinc/94/09/42/568940942.db2.gz PHVRUVCRPCJANA-NRFANRHFSA-N 0 0 443.569 3.814 40 5 IHBBRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)sc2c1 ZINC000017096474 569172730 /nfs/dbraw/zinc/17/27/30/569172730.db2.gz KBDRRZXVEAPWGT-UHFFFAOYSA-N 0 0 429.483 3.598 40 5 IHBBRN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1N1C(=O)c2ccccc2C1=O ZINC000017097436 569172820 /nfs/dbraw/zinc/17/28/20/569172820.db2.gz RRRFULLDQRHDLL-UHFFFAOYSA-N 0 0 431.404 3.965 40 5 IHBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000017096445 569172936 /nfs/dbraw/zinc/17/29/36/569172936.db2.gz DHFAMUIOTQWDHE-UHFFFAOYSA-N 0 0 429.458 3.620 40 5 IHBBRN Cc1nnc(SCc2ccccc2)n1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017102274 569173700 /nfs/dbraw/zinc/17/37/00/569173700.db2.gz FESBBSVTGMZUJY-UHFFFAOYSA-N 0 0 438.513 3.771 40 5 IHBBRN COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017099243 569173781 /nfs/dbraw/zinc/17/37/81/569173781.db2.gz SCKXQEXPLBJRCV-UHFFFAOYSA-N 0 0 434.905 3.984 40 5 IHBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)cc1 ZINC000018069362 569284695 /nfs/dbraw/zinc/28/46/95/569284695.db2.gz AYUSIIUDFYQHOF-FSSWDIPSSA-N 0 0 429.432 3.954 40 5 IHBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008902519 569292064 /nfs/dbraw/zinc/29/20/64/569292064.db2.gz HEOOMCMXTJWNOY-UHFFFAOYSA-N 0 0 438.396 3.852 40 5 IHBBRN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000009064666 569293428 /nfs/dbraw/zinc/29/34/28/569293428.db2.gz QIWSTZULNSHSKQ-UHFFFAOYSA-N 0 0 447.448 3.759 40 5 IHBBRN CCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113882843 569297034 /nfs/dbraw/zinc/29/70/34/569297034.db2.gz KIWGHFQRQOGXSZ-UHFFFAOYSA-N 0 0 433.269 3.660 40 5 IHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000019159165 569316303 /nfs/dbraw/zinc/31/63/03/569316303.db2.gz GMDVGKLNSLGDEQ-UHFFFAOYSA-N 0 0 439.493 3.787 40 5 IHBBRN Cc1cc2c(c([N+](=O)[O-])c1)OC[C@@](Cc1ccc(Cl)cc1)(CN1CCOCC1)C2=O ZINC000019596869 569322255 /nfs/dbraw/zinc/32/22/55/569322255.db2.gz UWTCWMJVGJKMLS-JOCHJYFZSA-N 0 0 430.888 3.693 40 5 IHBBRN CCNc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329048251 569322271 /nfs/dbraw/zinc/32/22/71/569322271.db2.gz UIPCKQYWQSPLRK-UHFFFAOYSA-N 0 0 433.390 3.838 40 5 IHBBRN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)cc1OC ZINC000020759973 569374961 /nfs/dbraw/zinc/37/49/61/569374961.db2.gz HXRQZHXOYAAXKL-UHFFFAOYSA-N 0 0 444.469 3.625 40 5 IHBBRN O=C(c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O)N1CCCCCC1 ZINC000095682000 569374992 /nfs/dbraw/zinc/37/49/92/569374992.db2.gz IQIPEYIJNBPINW-UHFFFAOYSA-N 0 0 440.368 3.639 40 5 IHBBRN Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000022460578 569403115 /nfs/dbraw/zinc/40/31/15/569403115.db2.gz SZBBVHPTBYCOFR-AWEZNQCLSA-N 0 0 437.905 3.596 40 5 IHBBRN COc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OC)c1 ZINC000217874777 569454373 /nfs/dbraw/zinc/45/43/73/569454373.db2.gz HRSRCRRFRJRQGH-UHFFFAOYSA-N 0 0 432.820 3.588 40 5 IHBBRN COc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000218054136 569456158 /nfs/dbraw/zinc/45/61/58/569456158.db2.gz FGVNDYXBWGSZMO-UHFFFAOYSA-N 0 0 428.470 3.545 40 5 IHBBRN COc1ccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c(OC)c1 ZINC000218122438 569456438 /nfs/dbraw/zinc/45/64/38/569456438.db2.gz ZEOJLUFHFUPEKR-UHFFFAOYSA-N 0 0 432.820 3.588 40 5 IHBBRN COc1ccc(C(=S)N2CCCCC2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000059515287 569461704 /nfs/dbraw/zinc/46/17/04/569461704.db2.gz OBAMQCXTYDMGCA-UHFFFAOYSA-N 0 0 445.453 3.892 40 5 IHBBRN CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccccn2)n1 ZINC000329002829 569583273 /nfs/dbraw/zinc/58/32/73/569583273.db2.gz KJOHVQJLDIFDKL-QGZVFWFLSA-N 0 0 428.880 4.273 40 5 IHBBRN COC(=O)c1sc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc1C ZINC000034837599 569583782 /nfs/dbraw/zinc/58/37/82/569583782.db2.gz WKEMMVHEBRFSEG-UHFFFAOYSA-N 0 0 446.466 3.533 40 5 IHBBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000020798603 520477633 /nfs/dbraw/zinc/47/76/33/520477633.db2.gz UNJBMBILCKQADY-IBGZPJMESA-N 0 0 437.452 3.732 40 5 IHBBRN COC(=O)CSc1nc2nc(-c3cccc([N+](=O)[O-])c3)cc(-c3ccc(F)cc3)n2n1 ZINC000020635847 523247516 /nfs/dbraw/zinc/24/75/16/523247516.db2.gz KHSSTCMKCYXRBW-UHFFFAOYSA-N 0 0 439.428 3.771 40 5 IHBBRN O=C(COc1ccc(I)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000021125514 526963209 /nfs/dbraw/zinc/96/32/09/526963209.db2.gz SEVSUEMHYGWGGE-UHFFFAOYSA-N 0 0 432.601 3.870 40 5 IHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1 ZINC000408976880 556627065 /nfs/dbraw/zinc/62/70/65/556627065.db2.gz STASKZPUQNDEKZ-UHFFFAOYSA-N 0 0 439.387 3.591 40 5 IHBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 ZINC000409107187 556630666 /nfs/dbraw/zinc/63/06/66/556630666.db2.gz VOGGKKXVRFVDPP-PDGQHHTCSA-N 0 0 446.419 3.695 40 5 IHBBRN CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000409165341 556631849 /nfs/dbraw/zinc/63/18/49/556631849.db2.gz WTOVIYXJLXDBIG-UHFFFAOYSA-N 0 0 441.513 3.845 40 5 IHBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409176059 556632371 /nfs/dbraw/zinc/63/23/71/556632371.db2.gz XTUONMBGZVPOAI-CXUHLZMHSA-N 0 0 429.479 3.992 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000409173675 556633078 /nfs/dbraw/zinc/63/30/78/556633078.db2.gz PZDRCUGFEMLHFB-CXUHLZMHSA-N 0 0 447.856 3.932 40 5 IHBBRN O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409203704 556634220 /nfs/dbraw/zinc/63/42/20/556634220.db2.gz YOMJXGAWMCZQKA-UHFFFAOYSA-N 0 0 431.514 3.777 40 5 IHBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715946 556714551 /nfs/dbraw/zinc/71/45/51/556714551.db2.gz SGOCPLTWYKDOMT-INIZCTEOSA-N 0 0 429.857 3.571 40 5 IHBBRN CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000220037543 556810437 /nfs/dbraw/zinc/81/04/37/556810437.db2.gz FVLNGAOYNKYMME-SFHVURJKSA-N 0 0 433.530 3.554 40 5 IHBBRN Cc1nc2n(c(=O)c1CC[N+]1([O-])CCC(c3noc4cc(F)ccc43)CC1)CCCC2 ZINC000065748702 556838111 /nfs/dbraw/zinc/83/81/11/556838111.db2.gz CQQKMRDMDXQQRT-UHFFFAOYSA-N 0 0 426.492 3.603 40 5 in-vitro IHBBRN S=C(NCc1ccc2c(c1)OCO2)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 ZINC000408994109 556912986 /nfs/dbraw/zinc/91/29/86/556912986.db2.gz FTTHPOKWFTUOCE-UHFFFAOYSA-N 0 0 446.488 3.770 40 5 IHBBRN COc1ccc2c(c1)CCc1sc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc1-2 ZINC000409054637 556938305 /nfs/dbraw/zinc/93/83/05/556938305.db2.gz UTPQMTSLEHAMIQ-UHFFFAOYSA-N 0 0 426.410 3.986 40 5 IHBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O ZINC000409067277 556942152 /nfs/dbraw/zinc/94/21/52/556942152.db2.gz CFXKKOYSIJBWGJ-FHXOWUIVSA-N 0 0 442.449 3.772 40 5 IHBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409067897 556942386 /nfs/dbraw/zinc/94/23/86/556942386.db2.gz QNTWAOCZQZKZBI-FHXOWUIVSA-N 0 0 442.449 3.772 40 5 IHBBRN CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409191356 556991663 /nfs/dbraw/zinc/99/16/63/556991663.db2.gz WJINCWYQFRDBEG-CXUHLZMHSA-N 0 0 431.832 3.748 40 5 IHBBRN CCc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1 ZINC000409340191 557067902 /nfs/dbraw/zinc/06/79/02/557067902.db2.gz RYHFKSQCBPXQMB-UHFFFAOYSA-N 0 0 441.513 3.904 40 5 IHBBRN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409360010 557086231 /nfs/dbraw/zinc/08/62/31/557086231.db2.gz CWZZJNPXMUHPOE-UHFFFAOYSA-N 0 0 435.440 3.828 40 5 IHBBRN CC[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000220423838 557154436 /nfs/dbraw/zinc/15/44/36/557154436.db2.gz QWWISWYWVCWLHR-JXFKEZNVSA-N 0 0 433.530 3.634 40 5 IHBBRN CC[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000220424116 557154734 /nfs/dbraw/zinc/15/47/34/557154734.db2.gz RJTPYAWCGQUDKC-JXFKEZNVSA-N 0 0 433.530 3.634 40 5 IHBBRN Cc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1C ZINC000218364327 557195619 /nfs/dbraw/zinc/19/56/19/557195619.db2.gz IUEKTIRTDGPOPC-ZDUSSCGKSA-N 0 0 425.894 3.658 40 5 IHBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101174721 557259983 /nfs/dbraw/zinc/25/99/83/557259983.db2.gz UGOQNYOQKXHMQB-BDTNDASRSA-N 0 0 429.432 3.642 40 5 IHBBRN O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101174718 557260008 /nfs/dbraw/zinc/26/00/08/557260008.db2.gz UGOQNYOQKXHMQB-FKBYEOEOSA-N 0 0 429.432 3.642 40 5 IHBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101238011 557263580 /nfs/dbraw/zinc/26/35/80/557263580.db2.gz VUKMGDAVKDJOAH-BDTNDASRSA-N 0 0 429.432 3.642 40 5 IHBBRN COc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1[N+](=O)[O-] ZINC000219823415 557268746 /nfs/dbraw/zinc/26/87/46/557268746.db2.gz PFZHNDZODDVABZ-UHFFFAOYSA-N 0 0 427.457 3.637 40 5 IHBBRN CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1cccc([N+](=O)[O-])c1 ZINC000014409797 557337201 /nfs/dbraw/zinc/33/72/01/557337201.db2.gz BPDZAZRADUPCRO-UHFFFAOYSA-N 0 0 428.430 3.512 40 5 IHBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102730193 557368970 /nfs/dbraw/zinc/36/89/70/557368970.db2.gz WHVDSSFOLVXIRF-ACRUOGEOSA-N 0 0 433.395 3.785 40 5 IHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(OC(C)C)c3)CC2)c([N+](=O)[O-])c1 ZINC000408572537 557419436 /nfs/dbraw/zinc/41/94/36/557419436.db2.gz JNBOQOXJICQHKB-UHFFFAOYSA-N 0 0 441.484 3.521 40 5 IHBBRN Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)c1 ZINC000408596590 557421860 /nfs/dbraw/zinc/42/18/60/557421860.db2.gz SGBSCFFFPGFRFT-UHFFFAOYSA-N 0 0 441.513 3.958 40 5 IHBBRN O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl ZINC000408660677 557426097 /nfs/dbraw/zinc/42/60/97/557426097.db2.gz BURVRXNZMCNPBC-UHFFFAOYSA-N 0 0 440.239 3.802 40 5 IHBBRN Cc1c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000014413540 557445130 /nfs/dbraw/zinc/44/51/30/557445130.db2.gz KWWIACWSVFBTBQ-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000014831564 557463321 /nfs/dbraw/zinc/46/33/21/557463321.db2.gz IPIANWQLUFALML-MDWZMJQESA-N 0 0 429.498 3.811 40 5 IHBBRN Cc1cc(=O)n2c(n1)NC(Nc1cccc(C(F)(F)F)c1)=N[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000105330239 557495370 /nfs/dbraw/zinc/49/53/70/557495370.db2.gz DHCOGLDJSQFDKJ-KRWDZBQOSA-N 0 0 444.373 3.919 40 5 IHBBRN CCOC(=O)COc1ccccc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000024605336 557522940 /nfs/dbraw/zinc/52/29/40/557522940.db2.gz DCFASBOOYKBMCT-WQRHYEAKSA-N 0 0 442.449 3.773 40 5 IHBBRN Cc1ccc(CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1 ZINC000106702736 557531621 /nfs/dbraw/zinc/53/16/21/557531621.db2.gz HTTKKPWVKSOTMB-MOSHPQCFSA-N 0 0 439.493 3.976 40 5 IHBBRN CSc1ccccc1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222375971 568639535 /nfs/dbraw/zinc/63/95/35/568639535.db2.gz IKIDZYKUHGVCPS-UHFFFAOYSA-N 0 0 437.543 3.810 40 5 IHBBRN CC[C@H](C(=O)N[C@@H](C)c1cc(C)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222526599 568650545 /nfs/dbraw/zinc/65/05/45/568650545.db2.gz ZHGMIJINILINQG-OXJNMPFZSA-N 0 0 433.530 3.634 40 5 IHBBRN CC[C@@H](C(=O)NCCCc1cccc(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222541125 568652202 /nfs/dbraw/zinc/65/22/02/568652202.db2.gz OMKAFLHRWXHKFE-FQEVSTJZSA-N 0 0 447.557 3.505 40 5 IHBBRN CCc1ccc([C@@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222758120 568659838 /nfs/dbraw/zinc/65/98/38/568659838.db2.gz AKWQCOSPLJHTNG-MRXNPFEDSA-N 0 0 433.530 3.581 40 5 IHBBRN COc1ccc(CCN2C(=S)N[C@@H]3c4cc([N+](=O)[O-])ccc4O[C@@]2(C)[C@@H]3C)cc1OC ZINC000034858327 568738427 /nfs/dbraw/zinc/73/84/27/568738427.db2.gz XCYGEZPDFCZRBO-XOJPMGEXSA-N 0 0 443.525 3.831 40 5 IHBBRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000015389796 568761536 /nfs/dbraw/zinc/76/15/36/568761536.db2.gz CDCPWCMJVNHVQB-UHFFFAOYSA-N 0 0 425.466 3.981 40 5 IHBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223062211 568778498 /nfs/dbraw/zinc/77/84/98/568778498.db2.gz VHLIRPQLDHXNDI-FQEVSTJZSA-N 0 0 429.542 3.690 40 5 IHBBRN COc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001359730 568780644 /nfs/dbraw/zinc/78/06/44/568780644.db2.gz IYCRPQGCPRLECH-UHFFFAOYSA-N 0 0 444.447 3.683 40 5 IHBBRN C[C@H](Oc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC1CCCCC1 ZINC000223255109 568787675 /nfs/dbraw/zinc/78/76/75/568787675.db2.gz ZCKGRFGUZSSNEN-HNNXBMFYSA-N 0 0 447.513 3.612 40 5 IHBBRN Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000223480656 568848703 /nfs/dbraw/zinc/84/87/03/568848703.db2.gz FOQCTLYXVFVKHM-IAGOWNOFSA-N 0 0 433.530 3.552 40 5 IHBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223595313 568875693 /nfs/dbraw/zinc/87/56/93/568875693.db2.gz GVBVXVDHADGAHG-QGZVFWFLSA-N 0 0 429.542 3.690 40 5 IHBBRN O=C(CSc1nnc(Cn2cnc3ccccc32)o1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006446987 568906944 /nfs/dbraw/zinc/90/69/44/568906944.db2.gz GMCMBMSJQORRBF-UHFFFAOYSA-N 0 0 444.860 3.760 40 5 IHBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000169684204 568997821 /nfs/dbraw/zinc/99/78/21/568997821.db2.gz QMIFMAOWVCPMSZ-ACRUOGEOSA-N 0 0 433.395 3.785 40 5 IHBBRN CCCCC(=O)Nc1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000017094816 569172381 /nfs/dbraw/zinc/17/23/81/569172381.db2.gz HQTNNOXSJKHCFE-UHFFFAOYSA-N 0 0 426.473 3.812 40 5 IHBBRN O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000017099710 569173459 /nfs/dbraw/zinc/17/34/59/569173459.db2.gz WMTWQSSWVOHITD-UHFFFAOYSA-N 0 0 435.736 3.906 40 5 IHBBRN O=C(NC(=S)Nc1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017100211 569173924 /nfs/dbraw/zinc/17/39/24/569173924.db2.gz VDMHXAVSNLHZJA-UHFFFAOYSA-N 0 0 436.493 3.711 40 5 IHBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224938964 569194068 /nfs/dbraw/zinc/19/40/68/569194068.db2.gz KVXQZKQALHABKC-UHFFFAOYSA-N 0 0 433.269 3.660 40 5 IHBBRN CCOC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225082017 569215547 /nfs/dbraw/zinc/21/55/47/569215547.db2.gz GCSLKENQMMZDRC-UHFFFAOYSA-N 0 0 426.878 3.623 40 5 IHBBRN COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c(OC)c1 ZINC000021571502 569241631 /nfs/dbraw/zinc/24/16/31/569241631.db2.gz UHIGMDOWWZJJAE-UHFFFAOYSA-N 0 0 430.442 3.701 40 5 IHBBRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000034931157 569248118 /nfs/dbraw/zinc/24/81/18/569248118.db2.gz NXOMFLCOAFSQDZ-UHFFFAOYSA-N 0 0 430.486 3.616 40 5 IHBBRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 ZINC000008831741 569290959 /nfs/dbraw/zinc/29/09/59/569290959.db2.gz BUYCDEJUAXGBQW-UHFFFAOYSA-N 0 0 447.948 3.517 40 5 IHBBRN COc1c(F)c(F)c(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(F)c1F ZINC000008831796 569291122 /nfs/dbraw/zinc/29/11/22/569291122.db2.gz RYGRTDLXFUNQAC-UHFFFAOYSA-N 0 0 447.772 3.776 40 5 IHBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 ZINC000009288700 569295102 /nfs/dbraw/zinc/29/51/02/569295102.db2.gz VUKMGDAVKDJOAH-VSKRKVRLSA-N 0 0 429.432 3.642 40 5 IHBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000009307058 569295218 /nfs/dbraw/zinc/29/52/18/569295218.db2.gz QYGAIPNYDYKXHJ-VSKRKVRLSA-N 0 0 429.432 3.954 40 5 IHBBRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000010010431 569299079 /nfs/dbraw/zinc/29/90/79/569299079.db2.gz MHNPTVNXYWWEOZ-UHFFFAOYSA-N 0 0 437.283 3.822 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000010314301 569299625 /nfs/dbraw/zinc/29/96/25/569299625.db2.gz LWBAGJZMAFZITJ-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN CC[C@H](C(=O)N[C@H](C)c1ccc(C)c(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260507448 569307046 /nfs/dbraw/zinc/30/70/46/569307046.db2.gz LRZSHUIVQRDLGH-OXQOHEQNSA-N 0 0 433.530 3.634 40 5 IHBBRN Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000260920116 569312513 /nfs/dbraw/zinc/31/25/13/569312513.db2.gz FOQCTLYXVFVKHM-SJORKVTESA-N 0 0 433.530 3.552 40 5 IHBBRN O=[N+]([O-])c1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)c1 ZINC000329056766 569322946 /nfs/dbraw/zinc/32/29/46/569322946.db2.gz VUNFMQBAKNHBOZ-UHFFFAOYSA-N 0 0 445.401 3.981 40 5 IHBBRN Cc1nn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000002678897 569416556 /nfs/dbraw/zinc/41/65/56/569416556.db2.gz OKWRFQWEOKLAQC-UHFFFAOYSA-N 0 0 434.455 3.705 40 5 IHBBRN CCCc1nnc2sc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nn12 ZINC000020609705 521574227 /nfs/dbraw/zinc/57/42/27/521574227.db2.gz QDFBNJKDXHYMNG-UHFFFAOYSA-N 0 0 438.469 3.731 40 5 IHBBRN CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000035808631 524014134 /nfs/dbraw/zinc/01/41/34/524014134.db2.gz RZIZXBJOEQRCSX-SNYIIPAISA-N 0 0 446.438 3.505 40 5 IHBBRN C[C@H]1CC[C@H]2[C@@](C)(O)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@]54C)[C@@H]3C[N+]2([O-])C1 ZINC000070670183 524427426 /nfs/dbraw/zinc/42/74/26/524427426.db2.gz RTQDXHMAHWNJLQ-QCCAPMPZSA-N 0 0 445.644 3.899 40 5 biogenic,in-vitro IHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O ZINC000408685951 556085933 /nfs/dbraw/zinc/08/59/33/556085933.db2.gz QOWKBQXYHXMCBH-UHFFFAOYSA-N 0 0 436.251 3.998 40 5 IHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000408690140 556090265 /nfs/dbraw/zinc/09/02/65/556090265.db2.gz ZTYUNLMPOLSLKE-KDURUIRLSA-N 0 0 439.855 3.757 40 5 IHBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000408689011 556092085 /nfs/dbraw/zinc/09/20/85/556092085.db2.gz XMDCQXOMJHUDPW-RBUKOAKNSA-N 0 0 437.427 3.633 40 5 IHBBRN O=c1nc2n(c3[nH]ncc31)[C@H](c1ccccc1)[C@@H](Sc1ccc([N+](=O)[O-])cc1)CS2 ZINC000032594524 556406620 /nfs/dbraw/zinc/40/66/20/556406620.db2.gz BLPPGPYKUIPODE-DLBZAZTESA-N 0 0 437.506 3.884 40 5 IHBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000219752708 556581695 /nfs/dbraw/zinc/58/16/95/556581695.db2.gz IZHSKQQCQQYBBP-INIZCTEOSA-N 0 0 444.296 3.693 40 5 IHBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000408678163 556614261 /nfs/dbraw/zinc/61/42/61/556614261.db2.gz CQVGVGYLPXLYBX-QGPMSJSTSA-N 0 0 439.443 3.713 40 5 IHBBRN COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)c1 ZINC000408673812 556614494 /nfs/dbraw/zinc/61/44/94/556614494.db2.gz VPRKKSWYEGTJPW-UHFFFAOYSA-N 0 0 447.403 3.665 40 5 IHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408688667 556616281 /nfs/dbraw/zinc/61/62/81/556616281.db2.gz WMISJYVUICPZGG-QZTJIDSGSA-N 0 0 441.871 3.981 40 5 IHBBRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408714047 556617221 /nfs/dbraw/zinc/61/72/21/556617221.db2.gz HJDNTORTFRUXQP-UHFFFAOYSA-N 0 0 430.486 3.763 40 5 IHBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1[N+](=O)[O-] ZINC000409154825 556631329 /nfs/dbraw/zinc/63/13/29/556631329.db2.gz HNNFDZDTYUYXAO-LICLKQGHSA-N 0 0 441.465 3.895 40 5 IHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409176697 556632815 /nfs/dbraw/zinc/63/28/15/556632815.db2.gz VLFBYWIOPZJQIF-UHFFFAOYSA-N 0 0 427.394 3.588 40 5 IHBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000409183468 556633391 /nfs/dbraw/zinc/63/33/91/556633391.db2.gz SPMBNWHJSMSXOD-UHFFFAOYSA-N 0 0 447.359 3.661 40 5 IHBBRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000409213890 556634880 /nfs/dbraw/zinc/63/48/80/556634880.db2.gz UGVMMJCNUITNKR-VCHYOVAHSA-N 0 0 443.481 3.680 40 5 IHBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1c(F)cccc1F ZINC000409255450 556635692 /nfs/dbraw/zinc/63/56/92/556635692.db2.gz KPRPNRHKZHPXRO-UHFFFAOYSA-N 0 0 447.419 3.707 40 5 IHBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1[N+](=O)[O-] ZINC000409356908 556638169 /nfs/dbraw/zinc/63/81/69/556638169.db2.gz HXPSWHWNXQVGFN-VCHYOVAHSA-N 0 0 441.465 3.895 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000019160742 556707112 /nfs/dbraw/zinc/70/71/12/556707112.db2.gz KJMJHWVDIZYAOK-UHFFFAOYSA-N 0 0 425.466 3.981 40 5 IHBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712596 556714814 /nfs/dbraw/zinc/71/48/14/556714814.db2.gz GPLGIVNPIDUUPJ-KRWDZBQOSA-N 0 0 425.894 3.740 40 5 IHBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013811031 556743710 /nfs/dbraw/zinc/74/37/10/556743710.db2.gz VUKMGDAVKDJOAH-FKBYEOEOSA-N 0 0 429.432 3.642 40 5 IHBBRN COc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001359722 556786511 /nfs/dbraw/zinc/78/65/11/556786511.db2.gz QWNLFBIHAKEYBD-UHFFFAOYSA-N 0 0 444.447 3.683 40 5 IHBBRN CSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@H](C)[C@H]5C)c(=O)c4cc3c2=O)n1 ZINC000040398870 556820575 /nfs/dbraw/zinc/82/05/75/556820575.db2.gz QEICAPBAIRHHOW-VEVIJQCQSA-N 0 0 436.541 3.538 40 5 IHBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccccc2)cc1 ZINC000409003421 556916981 /nfs/dbraw/zinc/91/69/81/556916981.db2.gz FYKDSJHZOIBKJZ-UHFFFAOYSA-N 0 0 439.493 3.733 40 5 IHBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O ZINC000409067279 556942146 /nfs/dbraw/zinc/94/21/46/556942146.db2.gz CFXKKOYSIJBWGJ-VBEHJTROSA-N 0 0 442.449 3.772 40 5 IHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409177756 556986650 /nfs/dbraw/zinc/98/66/50/556986650.db2.gz CRPJHKQMBZXPBC-UHFFFAOYSA-N 0 0 427.394 3.588 40 5 IHBBRN CC(C)COC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O ZINC000409211940 557006682 /nfs/dbraw/zinc/00/66/82/557006682.db2.gz ORGSAAFMCUOIAG-YVLHZVERSA-N 0 0 429.454 3.621 40 5 IHBBRN CCOc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409345877 557082264 /nfs/dbraw/zinc/08/22/64/557082264.db2.gz LSLSPGDWBUCFRG-YBFXNURJSA-N 0 0 442.449 3.921 40 5 IHBBRN CCOc1c(Br)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000409373699 557089933 /nfs/dbraw/zinc/08/99/33/557089933.db2.gz ZFTBMBUEFQCYLW-UHFFFAOYSA-N 0 0 438.230 3.804 40 5 IHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)o1 ZINC000205780554 557092977 /nfs/dbraw/zinc/09/29/77/557092977.db2.gz NYYWIKGGQDTAIN-RQZCQDPDSA-N 0 0 446.437 3.851 40 5 IHBBRN CC[C@@H](NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1 ZINC000220396450 557135929 /nfs/dbraw/zinc/13/59/29/557135929.db2.gz AGOQXIHTIBNKQQ-QFBILLFUSA-N 0 0 433.530 3.634 40 5 IHBBRN CC[C@H](C(=O)N[C@H](C)c1cc(C)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260513010 557167842 /nfs/dbraw/zinc/16/78/42/557167842.db2.gz ZHGMIJINILINQG-OXQOHEQNSA-N 0 0 433.530 3.634 40 5 IHBBRN Cc1ccccc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O ZINC000100997167 557210876 /nfs/dbraw/zinc/21/08/76/557210876.db2.gz IOSCYWBRIHXQPY-VSKRKVRLSA-N 0 0 429.432 3.954 40 5 IHBBRN CC[C@@H](NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1C ZINC000220397458 557294036 /nfs/dbraw/zinc/29/40/36/557294036.db2.gz HOGNSEGFAVGNDR-YLJYHZDGSA-N 0 0 447.557 3.942 40 5 IHBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220715727 557364531 /nfs/dbraw/zinc/36/45/31/557364531.db2.gz VASLFULFWPIAQT-INIZCTEOSA-N 0 0 425.894 3.740 40 5 IHBBRN C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013614644 557377394 /nfs/dbraw/zinc/37/73/94/557377394.db2.gz HKSHRQWKMJNVJL-QGZVFWFLSA-N 0 0 439.493 3.668 40 5 IHBBRN O=C1[C@@H]2[C@H](c3ccccc3[N+](=O)[O-])N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102761013 557385288 /nfs/dbraw/zinc/38/52/88/557385288.db2.gz LEDCWLZFYZHCKR-HKBOAZHASA-N 0 0 433.395 3.785 40 5 IHBBRN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565371 557417626 /nfs/dbraw/zinc/41/76/26/557417626.db2.gz JZEOZYJXRGHPOL-XRODADMRSA-N 0 0 447.466 3.927 40 5 IHBBRN CN1C[C@H](c2ccc(OCc3ccccc3F)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408570123 557417662 /nfs/dbraw/zinc/41/76/62/557417662.db2.gz ZLLOQTNSQCHJIC-VPHKFGTKSA-N 0 0 447.466 3.927 40 5 IHBBRN COc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCC3)c([N+](=O)[O-])c1 ZINC000014137229 557423055 /nfs/dbraw/zinc/42/30/55/557423055.db2.gz AAGFEYGUFPQSLE-UHFFFAOYSA-N 0 0 428.392 3.632 40 5 IHBBRN CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000408647312 557425016 /nfs/dbraw/zinc/42/50/16/557425016.db2.gz WWAUBKBYYYUDDZ-QGZVFWFLSA-N 0 0 439.468 3.852 40 5 IHBBRN COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408646429 557425059 /nfs/dbraw/zinc/42/50/59/557425059.db2.gz OENGAVGNLWWFLM-UHFFFAOYSA-N 0 0 434.404 3.630 40 5 IHBBRN COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000408666940 557426847 /nfs/dbraw/zinc/42/68/47/557426847.db2.gz AOYOXECNHHTFLB-UHFFFAOYSA-N 0 0 447.403 3.665 40 5 IHBBRN CN1c2ccccc2Oc2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])cc2S1(=O)=O ZINC000015109700 568644568 /nfs/dbraw/zinc/64/45/68/568644568.db2.gz UQHFNHXEGQCVNA-UHFFFAOYSA-N 0 0 425.422 3.778 40 5 IHBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222506923 568649578 /nfs/dbraw/zinc/64/95/78/568649578.db2.gz OUZVUXGQVKDGKL-INIZCTEOSA-N 0 0 443.884 3.879 40 5 IHBBRN CC[C@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222520107 568650056 /nfs/dbraw/zinc/65/00/56/568650056.db2.gz JDOBXDMQIVWOEC-QGZVFWFLSA-N 0 0 425.894 3.740 40 5 IHBBRN CS(=O)(=O)N(CCCC(=O)NCc1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000222887957 568736562 /nfs/dbraw/zinc/73/65/62/568736562.db2.gz XEIOTCNVTMAKEQ-UHFFFAOYSA-N 0 0 441.509 3.611 40 5 IHBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC ZINC000202139304 568737566 /nfs/dbraw/zinc/73/75/66/568737566.db2.gz DBEPTHATTIZVIZ-LICLKQGHSA-N 0 0 430.438 3.857 40 5 IHBBRN CC(C)c1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 ZINC000218247331 568741219 /nfs/dbraw/zinc/74/12/19/568741219.db2.gz UIQOMPHAOCJFIL-UHFFFAOYSA-N 0 0 425.894 3.776 40 5 IHBBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000223067218 568778724 /nfs/dbraw/zinc/77/87/24/568778724.db2.gz OLLOPNXNDYWBAI-LEWJYISDSA-N 0 0 437.525 3.790 40 5 IHBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223197738 568784539 /nfs/dbraw/zinc/78/45/39/568784539.db2.gz NSHWFUXJJXXOPV-IBGZPJMESA-N 0 0 433.505 3.521 40 5 IHBBRN Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000223480715 568848688 /nfs/dbraw/zinc/84/86/88/568848688.db2.gz FOQCTLYXVFVKHM-DLBZAZTESA-N 0 0 433.530 3.552 40 5 IHBBRN Cc1cc(C)c([C@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000223485281 568848719 /nfs/dbraw/zinc/84/87/19/568848719.db2.gz HWAJBDBJKCGYJW-SFHVURJKSA-N 0 0 447.557 3.944 40 5 IHBBRN Cc1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1C ZINC000016312574 568876638 /nfs/dbraw/zinc/87/66/38/568876638.db2.gz RPVSYNRAJPDYBD-UHFFFAOYSA-N 0 0 437.418 3.958 40 5 IHBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223869520 568877663 /nfs/dbraw/zinc/87/76/63/568877663.db2.gz ARNVBVBNMRLKMW-INIZCTEOSA-N 0 0 427.476 3.753 40 5 IHBBRN CCOc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1[N+](=O)[O-] ZINC000017095244 569173044 /nfs/dbraw/zinc/17/30/44/569173044.db2.gz BDOQJLKJOJYTST-UHFFFAOYSA-N 0 0 427.198 3.554 40 5 IHBBRN CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000036548294 569117302 /nfs/dbraw/zinc/11/73/02/569117302.db2.gz VRQIOTWNTSFMEU-LERMDLETSA-N 0 0 435.411 3.703 40 5 IHBBRN O=C(NC(=S)Nc1ccccc1OC(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017100056 569173677 /nfs/dbraw/zinc/17/36/77/569173677.db2.gz NOCGPZNLAAONLP-UHFFFAOYSA-N 0 0 436.440 3.923 40 5 IHBBRN COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224774325 569186250 /nfs/dbraw/zinc/18/62/50/569186250.db2.gz AFWGHMQULQUAMF-UHFFFAOYSA-N 0 0 433.269 3.578 40 5 IHBBRN CCOC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224772810 569186302 /nfs/dbraw/zinc/18/63/02/569186302.db2.gz OLGLQEUQMXIYMB-UHFFFAOYSA-N 0 0 446.403 3.680 40 5 IHBBRN COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Cl)cc1Br ZINC000224887534 569190412 /nfs/dbraw/zinc/19/04/12/569190412.db2.gz AFUOBDKYDHPIRE-UHFFFAOYSA-N 0 0 435.683 3.844 40 5 IHBBRN COC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224999927 569210057 /nfs/dbraw/zinc/21/00/57/569210057.db2.gz VHLLVXYVPKURFM-UHFFFAOYSA-N 0 0 442.449 3.755 40 5 IHBBRN CCOC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225026947 569213738 /nfs/dbraw/zinc/21/37/38/569213738.db2.gz WOMXJLFITYQYMS-UHFFFAOYSA-N 0 0 433.269 3.660 40 5 IHBBRN C[C@@H]1Cc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010325968 569223072 /nfs/dbraw/zinc/22/30/72/569223072.db2.gz NIKIZZVRIQJVTA-OAHLLOKOSA-N 0 0 437.477 3.987 40 5 IHBBRN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)c1 ZINC000012173498 569224951 /nfs/dbraw/zinc/22/49/51/569224951.db2.gz NHICPXINZRBXMB-UHFFFAOYSA-N 0 0 430.442 3.701 40 5 IHBBRN O=C(COc1ccc(C2SCCS2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000019597807 569227462 /nfs/dbraw/zinc/22/74/62/569227462.db2.gz XZSTXYJFGLGBCG-UHFFFAOYSA-N 0 0 445.566 3.801 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000107806653 569251354 /nfs/dbraw/zinc/25/13/54/569251354.db2.gz HVXCFXCOAHRDLJ-SNVBAGLBSA-N 0 0 432.285 3.516 40 5 IHBBRN CCOC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113883804 569297062 /nfs/dbraw/zinc/29/70/62/569297062.db2.gz LPSBJSOSMVQSEB-UHFFFAOYSA-N 0 0 433.269 3.660 40 5 IHBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225498069 569304515 /nfs/dbraw/zinc/30/45/15/569304515.db2.gz BSQQJJXROYQCPW-HSZRJFAPSA-N 0 0 431.492 3.523 40 5 IHBBRN O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)c1ccccc1 ZINC000019644465 569325001 /nfs/dbraw/zinc/32/50/01/569325001.db2.gz ORSVHILCTRBYNH-UHFFFAOYSA-N 0 0 446.463 3.936 40 5 IHBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020142699 569336019 /nfs/dbraw/zinc/33/60/19/569336019.db2.gz UTHLTMOJUHXIAN-UHFFFAOYSA-N 0 0 437.452 3.744 40 5 IHBBRN Cc1cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Cl ZINC000020410929 569364059 /nfs/dbraw/zinc/36/40/59/569364059.db2.gz CLAPDYITDRBRJX-UHFFFAOYSA-N 0 0 434.905 3.520 40 5 IHBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(CN4CCOCC4)cc3)cc2[N+](=O)[O-])CC1 ZINC000021595410 569391893 /nfs/dbraw/zinc/39/18/93/569391893.db2.gz PGRIOAAJDGIZNX-UHFFFAOYSA-N 0 0 438.528 3.916 40 5 IHBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225752121 569408052 /nfs/dbraw/zinc/40/80/52/569408052.db2.gz HTKDZIRKRNLOHE-DYESRHJHSA-N 0 0 441.528 3.868 40 5 IHBBRN COc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(OC)c1 ZINC000057315847 569584490 /nfs/dbraw/zinc/58/44/90/569584490.db2.gz RFPMDDPXZUSUIG-UHFFFAOYSA-N 0 0 444.494 3.862 40 5 IHBBRN COc1ccc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c([N+](=O)[O-])c1 ZINC000006239654 193893595 /nfs/dbraw/zinc/89/35/95/193893595.db2.gz JEPAKSYIIZGJTR-UHFFFAOYSA-N 0 0 446.510 3.511 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000016347439 556601858 /nfs/dbraw/zinc/60/18/58/556601858.db2.gz YYVQPVDUFYTRRY-UHFFFAOYSA-N 0 0 441.465 3.722 40 5 IHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000408686569 556616649 /nfs/dbraw/zinc/61/66/49/556616649.db2.gz RXYGBPJGYBKVIA-HDICACEKSA-N 0 0 439.855 3.757 40 5 IHBBRN O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408683488 556616878 /nfs/dbraw/zinc/61/68/78/556616878.db2.gz LKBFBSMQOVEXLA-HZPDHXFCSA-N 0 0 441.871 3.981 40 5 IHBBRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000408681462 556616885 /nfs/dbraw/zinc/61/68/85/556616885.db2.gz WIZVOMVOJCKYEL-UHFFFAOYSA-N 0 0 449.554 3.665 40 5 IHBBRN COc1ccc(-c2nnc(CN(C)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1OC ZINC000408713849 556617726 /nfs/dbraw/zinc/61/77/26/556617726.db2.gz AWGOHMTYQDQZQS-UHFFFAOYSA-N 0 0 432.820 3.588 40 5 IHBBRN COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccco1 ZINC000409188031 556633232 /nfs/dbraw/zinc/63/32/32/556633232.db2.gz FGNLZDJFNUZFBO-WJDWOHSUSA-N 0 0 434.360 3.760 40 5 IHBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000409180639 556633262 /nfs/dbraw/zinc/63/32/62/556633262.db2.gz XNNVTNAPMYXWIM-UHFFFAOYSA-N 0 0 447.359 3.661 40 5 IHBBRN CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000409208478 556634273 /nfs/dbraw/zinc/63/42/73/556634273.db2.gz BYAVTTVLIZXZIN-BOPFTXTBSA-N 0 0 429.454 3.760 40 5 IHBBRN COCCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O ZINC000409241770 556636140 /nfs/dbraw/zinc/63/61/40/556636140.db2.gz URUCJGSMHQWBQZ-GZTJUZNOSA-N 0 0 445.453 3.864 40 5 IHBBRN COc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(OC)c1 ZINC000409352850 556637949 /nfs/dbraw/zinc/63/79/49/556637949.db2.gz FFMUSSVEZVQFPC-GIJQJNRQSA-N 0 0 428.422 3.531 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000409173529 556984467 /nfs/dbraw/zinc/98/44/67/556984467.db2.gz JJKBTKWSMUCCMX-VCHYOVAHSA-N 0 0 441.465 3.895 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@@H](CC(C)C)c1ccccc1)S(C)(=O)=O ZINC000220396601 557135866 /nfs/dbraw/zinc/13/58/66/557135866.db2.gz XHBUANQINCMHSV-PXNSSMCTSA-N 0 0 447.557 3.961 40 5 IHBBRN CCCOc1ccc([N+](=O)[O-])cc1[C@H]1Nc2ccccc2[C@@H]2C(=O)NC(SC)=NN21 ZINC000588229104 557155333 /nfs/dbraw/zinc/15/53/33/557155333.db2.gz FDGZPTMNJUPALL-MSOLQXFVSA-N 0 0 427.486 3.615 40 5 IHBBRN Cc1ccccc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O ZINC000101038503 557214814 /nfs/dbraw/zinc/21/48/14/557214814.db2.gz GHOVMVSZIPSWNX-VSKRKVRLSA-N 0 0 429.432 3.954 40 5 IHBBRN CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 ZINC000219701219 557263379 /nfs/dbraw/zinc/26/33/79/557263379.db2.gz CIAHJGXNRZMLSW-UHFFFAOYSA-N 0 0 433.873 3.661 40 5 IHBBRN Cc1cc(I)ccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000033382468 557293835 /nfs/dbraw/zinc/29/38/35/557293835.db2.gz PPDICYAQQLCBTB-UHFFFAOYSA-N 0 0 432.239 3.617 40 5 IHBBRN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000408553132 557416755 /nfs/dbraw/zinc/41/67/55/557416755.db2.gz ODTHHWVGFGVZOS-UHFFFAOYSA-N 0 0 443.485 3.525 40 5 IHBBRN CCOc1c(Cl)cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1Cl ZINC000408564029 557417640 /nfs/dbraw/zinc/41/76/40/557417640.db2.gz CBLXWIRGHAOWMZ-GCKAQTDUSA-N 0 0 436.295 3.914 40 5 IHBBRN CN1C[C@H](c2ccc(OCc3ccccc3)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564427 557419217 /nfs/dbraw/zinc/41/92/17/557419217.db2.gz CTZLCAYQFSRUGT-XRODADMRSA-N 0 0 429.476 3.788 40 5 IHBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(C(=O)OC)cc2)cc1 ZINC000408574511 557419922 /nfs/dbraw/zinc/41/99/22/557419922.db2.gz UZWPWGMWJRWSIU-LJQANCHMSA-N 0 0 442.497 3.871 40 5 IHBBRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408639471 557423871 /nfs/dbraw/zinc/42/38/71/557423871.db2.gz XMGVBKHJTVRHKJ-UHFFFAOYSA-N 0 0 442.497 3.789 40 5 IHBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3C)CC2=O)cc1[N+](=O)[O-] ZINC000408641789 557424415 /nfs/dbraw/zinc/42/44/15/557424415.db2.gz MZKDMDWFGQKFMG-ZDUSSCGKSA-N 0 0 432.274 3.966 40 5 IHBBRN Cc1c(Cl)cccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408662548 557426639 /nfs/dbraw/zinc/42/66/39/557426639.db2.gz FHMAOFRESMFCBE-UHFFFAOYSA-N 0 0 433.848 3.847 40 5 IHBBRN O=C(CCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000408661646 557426820 /nfs/dbraw/zinc/42/68/20/557426820.db2.gz GBHSOEZJPMGYMJ-UHFFFAOYSA-N 0 0 439.346 3.514 40 5 IHBBRN O=C(CCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC000408664343 557427164 /nfs/dbraw/zinc/42/71/64/557427164.db2.gz QCLZLVQENCHASD-UHFFFAOYSA-N 0 0 439.346 3.514 40 5 IHBBRN Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000408663282 557427976 /nfs/dbraw/zinc/42/79/76/557427976.db2.gz MZYXBYKJUKNWBD-UHFFFAOYSA-N 0 0 433.848 3.847 40 5 IHBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OC(C)=O ZINC000106727765 557532173 /nfs/dbraw/zinc/53/21/73/557532173.db2.gz VVOPENFBZFQAKP-ZDLGFXPLSA-N 0 0 428.422 3.765 40 5 IHBBRN Cc1ccc([C@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 ZINC000222378293 568639611 /nfs/dbraw/zinc/63/96/11/568639611.db2.gz FEKMVURSAMXSTC-SFHVURJKSA-N 0 0 447.557 3.944 40 5 IHBBRN CC[C@H](C(=O)NC1CCCCCCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222539638 568651883 /nfs/dbraw/zinc/65/18/83/568651883.db2.gz HERXELORNOLOTH-GOSISDBHSA-N 0 0 425.551 3.677 40 5 IHBBRN CCOc1cc(CO)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000034772893 568737939 /nfs/dbraw/zinc/73/79/39/568737939.db2.gz NOGGCYNTCYUNHT-UHFFFAOYSA-N 0 0 429.210 3.669 40 5 IHBBRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222938697 568741846 /nfs/dbraw/zinc/74/18/46/568741846.db2.gz JUPRXANUXDJWBU-HNNXBMFYSA-N 0 0 433.505 3.521 40 5 IHBBRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223238271 568786516 /nfs/dbraw/zinc/78/65/16/568786516.db2.gz SHTKQKWLSVWHPB-BTYIYWSLSA-N 0 0 445.541 3.506 40 5 IHBBRN Cc1cc(C)cc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000016268955 568875147 /nfs/dbraw/zinc/87/51/47/568875147.db2.gz CPVGFFHQIVVLPN-UHFFFAOYSA-N 0 0 432.933 3.702 40 5 IHBBRN CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000223591521 568875783 /nfs/dbraw/zinc/87/57/83/568875783.db2.gz RNFUFBYVUNPEDL-UHFFFAOYSA-N 0 0 430.486 3.763 40 5 IHBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223836693 568877360 /nfs/dbraw/zinc/87/73/60/568877360.db2.gz KEBKWWBIFVNGBM-CYBMUJFWSA-N 0 0 438.311 3.998 40 5 IHBBRN CCc1ccc([C@H](C)NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000224052467 568889554 /nfs/dbraw/zinc/88/95/54/568889554.db2.gz NWVUUGVSLVVTNN-MGPUTAFESA-N 0 0 433.530 3.579 40 5 IHBBRN COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000224282185 568917272 /nfs/dbraw/zinc/91/72/72/568917272.db2.gz YLQUPMDBQPBSAS-UHFFFAOYSA-N 0 0 441.465 3.681 40 5 IHBBRN COc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)C(C)C ZINC000017096888 569172973 /nfs/dbraw/zinc/17/29/73/569172973.db2.gz HOOXLWFHGUNLLE-UHFFFAOYSA-N 0 0 430.486 3.633 40 5 IHBBRN O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1Br ZINC000017101954 569173449 /nfs/dbraw/zinc/17/34/49/569173449.db2.gz ATUSXOCODGWCBS-UHFFFAOYSA-N 0 0 438.347 3.930 40 5 IHBBRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000017099478 569173460 /nfs/dbraw/zinc/17/34/60/569173460.db2.gz KYOZCZCBPQUTTH-UHFFFAOYSA-N 0 0 435.436 3.779 40 5 IHBBRN CCOC(=O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224763613 569186050 /nfs/dbraw/zinc/18/60/50/569186050.db2.gz IKYJTWSKBNWMTI-UHFFFAOYSA-N 0 0 448.497 3.675 40 5 IHBBRN CS(=O)(=O)N(Cc1ccc(C(=O)NCC2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000224822936 569188910 /nfs/dbraw/zinc/18/89/10/569188910.db2.gz HAWKFCNPSXCCQG-UHFFFAOYSA-N 0 0 445.541 3.871 40 5 IHBBRN COC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225089466 569215623 /nfs/dbraw/zinc/21/56/23/569215623.db2.gz BKGKWBPTNYQYMS-UHFFFAOYSA-N 0 0 433.269 3.578 40 5 IHBBRN Cc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 ZINC000015398155 569225390 /nfs/dbraw/zinc/22/53/90/569225390.db2.gz FGQMKRHWFCGBEO-UHFFFAOYSA-N 0 0 425.466 3.737 40 5 IHBBRN Cc1cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(C)c1Cl ZINC000008902610 569292209 /nfs/dbraw/zinc/29/22/09/569292209.db2.gz WDLLNSCYWMNLCW-UHFFFAOYSA-N 0 0 448.932 3.828 40 5 IHBBRN O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000009281406 569294990 /nfs/dbraw/zinc/29/49/90/569294990.db2.gz XLNWKKFDQFMZBT-QXGSTGNESA-N 0 0 430.420 3.847 40 5 IHBBRN Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000009318381 569295404 /nfs/dbraw/zinc/29/54/04/569295404.db2.gz IOSCYWBRIHXQPY-BDTNDASRSA-N 0 0 429.432 3.954 40 5 IHBBRN CCNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329009723 569321895 /nfs/dbraw/zinc/32/18/95/569321895.db2.gz LXTUNYVARLVZSQ-UHFFFAOYSA-N 0 0 433.390 3.838 40 5 IHBBRN COc1cc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nc2cc1Cl ZINC000019648152 569325123 /nfs/dbraw/zinc/32/51/23/569325123.db2.gz 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CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(NC(C)=O)cc1 ZINC000059099184 569458903 /nfs/dbraw/zinc/45/89/03/569458903.db2.gz AKXCPQUPEYHCHP-UHFFFAOYSA-N 0 0 440.485 3.562 40 5 IHBBRN CCOc1ccc(C(=O)Nc2ncc(I)cc2C)cc1[N+](=O)[O-] ZINC000032125151 569460375 /nfs/dbraw/zinc/46/03/75/569460375.db2.gz PPFVIUVWDCEMDS-UHFFFAOYSA-N 0 0 427.198 3.554 40 5 IHBBRN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006135593 193880808 /nfs/dbraw/zinc/88/08/08/193880808.db2.gz ARRQEZTXKVGVRB-UHFFFAOYSA-N 0 0 426.502 3.858 40 5 IHBBRN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000020571017 525085289 /nfs/dbraw/zinc/08/52/89/525085289.db2.gz HRGKWIHGJWQDGE-UHFFFAOYSA-N 0 0 427.438 3.657 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1 ZINC000022392852 526078635 /nfs/dbraw/zinc/07/86/35/526078635.db2.gz VUHYMJBDRAAHDX-UHFFFAOYSA-N 0 0 449.485 3.938 40 5 IHBBRN O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000408684440 556084225 /nfs/dbraw/zinc/08/42/25/556084225.db2.gz NIBKBCWMMODZPL-IAGOWNOFSA-N 0 0 439.855 3.757 40 5 IHBBRN O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Cl)cc2)cc1 ZINC000032640692 556413049 /nfs/dbraw/zinc/41/30/49/556413049.db2.gz OPAHJUDCDSPLFT-SJORKVTESA-N 0 0 437.930 3.523 40 5 IHBBRN COC(=O)[C@@H]1[C@@H](c2ccccc2[N+](=O)[O-])C=C[C@H](c2ccccc2[N+](=O)[O-])[C@@H]1C(=O)OC ZINC000004551877 556456991 /nfs/dbraw/zinc/45/69/91/556456991.db2.gz CKXDGJUGYNDOKK-SMOSDQRPSA-N 0 0 440.408 3.519 40 5 IHBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000408684424 556616895 /nfs/dbraw/zinc/61/68/95/556616895.db2.gz NGLYNGJHGHCLCW-SJLPKXTDSA-N 0 0 437.427 3.633 40 5 IHBBRN O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408683490 556617224 /nfs/dbraw/zinc/61/72/24/556617224.db2.gz LKBFBSMQOVEXLA-IYBDPMFKSA-N 0 0 441.871 3.981 40 5 IHBBRN O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000408682910 556617239 /nfs/dbraw/zinc/61/72/39/556617239.db2.gz KHKPUORNSXJVMQ-HOTGVXAUSA-N 0 0 439.855 3.757 40 5 IHBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000100587093 556626805 /nfs/dbraw/zinc/62/68/05/556626805.db2.gz XFLYLUWAQGFVEE-VSKRKVRLSA-N 0 0 429.432 3.954 40 5 IHBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1 ZINC000409177172 556632193 /nfs/dbraw/zinc/63/21/93/556632193.db2.gz CRBLRKLFONPLRB-UHFFFAOYSA-N 0 0 426.135 3.531 40 5 IHBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000409177668 556632490 /nfs/dbraw/zinc/63/24/90/556632490.db2.gz BVXLWVATMUZEOZ-UHFFFAOYSA-N 0 0 447.359 3.661 40 5 IHBBRN CCCn1ccc2nc3ccn(-c4nc(SCc5ccccc5)n[nH]4)c(=O)c3cc2c1=O ZINC000040398945 556641121 /nfs/dbraw/zinc/64/11/21/556641121.db2.gz HCBRXPMLHNWCJI-UHFFFAOYSA-N 0 0 444.520 3.521 40 5 IHBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000205693366 556889498 /nfs/dbraw/zinc/88/94/98/556889498.db2.gz YSZQKPFXVQYWKG-WOJGMQOQSA-N 0 0 442.449 3.773 40 5 IHBBRN O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000409052019 556933406 /nfs/dbraw/zinc/93/34/06/556933406.db2.gz HRLSPNVWOOKMQP-UHFFFAOYSA-N 0 0 432.274 3.848 40 5 IHBBRN COc1ccc(NC(=O)Cn2nc(COc3ccccc3C)oc2=S)c([N+](=O)[O-])c1 ZINC000409154095 556978935 /nfs/dbraw/zinc/97/89/35/556978935.db2.gz NTGXLISNEHKFKX-UHFFFAOYSA-N 0 0 430.442 3.649 40 5 IHBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409177502 556986429 /nfs/dbraw/zinc/98/64/29/556986429.db2.gz GEECUEBQVISTPV-UHFFFAOYSA-N 0 0 442.405 3.693 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)o1 ZINC000205709205 557016695 /nfs/dbraw/zinc/01/66/95/557016695.db2.gz XWJIJDLXZNGLNU-RQZCQDPDSA-N 0 0 446.437 3.851 40 5 IHBBRN CCCN1C(=O)N/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000409236795 557018928 /nfs/dbraw/zinc/01/89/28/557018928.db2.gz HFPVDWMLSQJNMC-NTEUORMPSA-N 0 0 442.384 3.607 40 5 IHBBRN CCOc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC ZINC000409368329 557088663 /nfs/dbraw/zinc/08/86/63/557088663.db2.gz YJAMZCRJGTZOJG-UHFFFAOYSA-N 0 0 438.230 3.804 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc(Cl)cc1C)S(C)(=O)=O ZINC000220385327 557134272 /nfs/dbraw/zinc/13/42/72/557134272.db2.gz KETNEGSQJHLBFR-ZDUSSCGKSA-N 0 0 425.894 3.658 40 5 IHBBRN Cc1cccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccccc3)C2=O)c1 ZINC000101100307 557255182 /nfs/dbraw/zinc/25/51/82/557255182.db2.gz KVWRTGLPXOMTMP-VSKRKVRLSA-N 0 0 429.432 3.954 40 5 IHBBRN CCOc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc(Cl)c1OC(C)=O ZINC000000824653 557266333 /nfs/dbraw/zinc/26/63/33/557266333.db2.gz FSCZMAZTZPGSBN-SXGWCWSVSA-N 0 0 430.800 3.917 40 5 IHBBRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000014269685 557332669 /nfs/dbraw/zinc/33/26/69/557332669.db2.gz BCWHEOQQQQYNDH-UHFFFAOYSA-N 0 0 442.266 3.940 40 5 IHBBRN COc1cc(NC(=O)CSc2n[nH]c(COc3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] ZINC000408550577 557415841 /nfs/dbraw/zinc/41/58/41/557415841.db2.gz DMMWZRWFVJZECQ-UHFFFAOYSA-N 0 0 449.876 3.685 40 5 IHBBRN CN1C[C@H](c2ccc(OCc3ccccc3F)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408570122 557417065 /nfs/dbraw/zinc/41/70/65/557417065.db2.gz ZLLOQTNSQCHJIC-RZPHLTDDSA-N 0 0 447.466 3.927 40 5 IHBBRN CN1C[C@H](c2ccc(OCc3ccccc3F)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408570121 557417384 /nfs/dbraw/zinc/41/73/84/557417384.db2.gz ZLLOQTNSQCHJIC-NIDLKEISSA-N 0 0 447.466 3.927 40 5 IHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000408573099 557419722 /nfs/dbraw/zinc/41/97/22/557419722.db2.gz LVFVRIRZGUVWEQ-UHFFFAOYSA-N 0 0 433.464 3.887 40 5 IHBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408639967 557424295 /nfs/dbraw/zinc/42/42/95/557424295.db2.gz HQMXAIFEAOSKBN-KRWDZBQOSA-N 0 0 439.468 3.708 40 5 IHBBRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc(C)c1Br ZINC000408640900 557424406 /nfs/dbraw/zinc/42/44/06/557424406.db2.gz KEPQXASPYIANEX-CYBMUJFWSA-N 0 0 432.274 3.966 40 5 IHBBRN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1Br ZINC000408642296 557424544 /nfs/dbraw/zinc/42/45/44/557424544.db2.gz NWTVXZFBHPTTGP-ZDUSSCGKSA-N 0 0 432.274 3.966 40 5 IHBBRN COc1ccc(NC(=O)c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c(OC)c1 ZINC000408668963 557427686 /nfs/dbraw/zinc/42/76/86/557427686.db2.gz GMWFQKOUMXTKPW-UHFFFAOYSA-N 0 0 447.403 3.665 40 5 IHBBRN CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000103562484 557438925 /nfs/dbraw/zinc/43/89/25/557438925.db2.gz AGYXVVSRSPFRSQ-BURNTYAHSA-N 0 0 445.475 3.725 40 5 IHBBRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225041218 557681998 /nfs/dbraw/zinc/68/19/98/557681998.db2.gz JDEOOVQTFQNUAJ-GOSISDBHSA-N 0 0 443.569 3.814 40 5 IHBBRN Cc1c(Cl)cccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222361907 568638111 /nfs/dbraw/zinc/63/81/11/568638111.db2.gz JGYOZRZXSPZFSW-UHFFFAOYSA-N 0 0 425.894 3.742 40 5 IHBBRN CC[C@H](C(=O)NCCCc1cccc(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222541188 568652140 /nfs/dbraw/zinc/65/21/40/568652140.db2.gz OMKAFLHRWXHKFE-HXUWFJFHSA-N 0 0 447.557 3.505 40 5 IHBBRN CC[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222542424 568652171 /nfs/dbraw/zinc/65/21/71/568652171.db2.gz BOMNQVPWNSRZCS-WOJBJXKFSA-N 0 0 445.541 3.642 40 5 IHBBRN CS(=O)(=O)N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000222625506 568655192 /nfs/dbraw/zinc/65/51/92/568655192.db2.gz CMIKDQIZYCEDSW-UHFFFAOYSA-N 0 0 445.419 3.799 40 5 IHBBRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222968507 568760608 /nfs/dbraw/zinc/76/06/08/568760608.db2.gz JGMNCGQYZONEFR-FQEVSTJZSA-N 0 0 429.542 3.690 40 5 IHBBRN 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427.486 3.921 40 5 IHBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Cl)cc1Cl ZINC000408638237 557423859 /nfs/dbraw/zinc/42/38/59/557423859.db2.gz QBAAGDISLWIHKO-LLVKDONJSA-N 0 0 437.235 3.681 40 5 IHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000408644120 557424724 /nfs/dbraw/zinc/42/47/24/557424724.db2.gz DQIGCXZDCZCEKF-SNVBAGLBSA-N 0 0 443.239 3.859 40 5 IHBBRN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c(C)cc1Br ZINC000408643297 557424746 /nfs/dbraw/zinc/42/47/46/557424746.db2.gz RCNFKZOUJWPANG-ZDUSSCGKSA-N 0 0 432.274 3.966 40 5 IHBBRN O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1 ZINC000408661807 557426641 /nfs/dbraw/zinc/42/66/41/557426641.db2.gz CSCZUWAFHJDDTR-UHFFFAOYSA-N 0 0 439.346 3.514 40 5 IHBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccccc1F ZINC000106698467 557531307 /nfs/dbraw/zinc/53/13/07/557531307.db2.gz LWWDIMSHWVENMK-UNOMPAQXSA-N 0 0 443.456 3.807 40 5 IHBBRN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1 ZINC000000862129 557831882 /nfs/dbraw/zinc/83/18/82/557831882.db2.gz SINZXTLDIYHPOJ-UHFFFAOYSA-N 0 0 426.502 3.683 40 5 IHBBRN Cc1ccc(Cl)cc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222361814 568638048 /nfs/dbraw/zinc/63/80/48/568638048.db2.gz DNTHWPGIHZBXGO-UHFFFAOYSA-N 0 0 425.894 3.742 40 5 IHBBRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000222364184 568638304 /nfs/dbraw/zinc/63/83/04/568638304.db2.gz IULZBTSBCAIFDG-UHFFFAOYSA-N 0 0 445.419 3.799 40 5 IHBBRN CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222532120 568651516 /nfs/dbraw/zinc/65/15/16/568651516.db2.gz VIJRGMKILRDCPA-INIZCTEOSA-N 0 0 425.894 3.740 40 5 IHBBRN CC[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222539415 568651715 /nfs/dbraw/zinc/65/17/15/568651715.db2.gz QHUFISSFCLLCDX-PXNSSMCTSA-N 0 0 447.557 3.585 40 5 IHBBRN CC[C@@H](C(=O)N[C@@H](C)c1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222540664 568652223 /nfs/dbraw/zinc/65/22/23/568652223.db2.gz OPBNIELTEXJZAB-PXNSSMCTSA-N 0 0 447.557 3.942 40 5 IHBBRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222568056 568653126 /nfs/dbraw/zinc/65/31/26/568653126.db2.gz STONGXNCYVAUEW-RXVVDRJESA-N 0 0 425.529 3.902 40 5 IHBBRN C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC1CCCCC1 ZINC000223255055 568787733 /nfs/dbraw/zinc/78/77/33/568787733.db2.gz ZCKGRFGUZSSNEN-OAHLLOKOSA-N 0 0 447.513 3.612 40 5 IHBBRN CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000016039152 568868246 /nfs/dbraw/zinc/86/82/46/568868246.db2.gz AGYXVVSRSPFRSQ-DOIPELPJSA-N 0 0 445.475 3.725 40 5 IHBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223588700 568875750 /nfs/dbraw/zinc/87/57/50/568875750.db2.gz YDLZEUFXVCIBDA-FQEVSTJZSA-N 0 0 441.528 3.868 40 5 IHBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223948258 568879966 /nfs/dbraw/zinc/87/99/66/568879966.db2.gz FTDPCCJUYDWILF-OAQYLSRUSA-N 0 0 441.528 3.870 40 5 IHBBRN COc1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c1 ZINC000224540405 568937643 /nfs/dbraw/zinc/93/76/43/568937643.db2.gz FCQUQEGVTBXSLG-UHFFFAOYSA-N 0 0 441.465 3.585 40 5 IHBBRN CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000017096188 569172833 /nfs/dbraw/zinc/17/28/33/569172833.db2.gz ROTSJCLTPAWDDX-YCRREMRBSA-N 0 0 428.876 3.569 40 5 IHBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1Cl ZINC000017096661 569172943 /nfs/dbraw/zinc/17/29/43/569172943.db2.gz CAIFISXKLSIFPC-UHFFFAOYSA-N 0 0 429.683 3.642 40 5 IHBBRN CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000224789974 569186804 /nfs/dbraw/zinc/18/68/04/569186804.db2.gz DGFIMIJOBGYGPX-UHFFFAOYSA-N 0 0 426.878 3.949 40 5 IHBBRN COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225037432 569213537 /nfs/dbraw/zinc/21/35/37/569213537.db2.gz QOZLIDKDSYTVJE-UHFFFAOYSA-N 0 0 426.450 3.630 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000010313958 569222380 /nfs/dbraw/zinc/22/23/80/569222380.db2.gz UVJHGRJKVICWGT-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OC ZINC000033380400 569243739 /nfs/dbraw/zinc/24/37/39/569243739.db2.gz CFPHUMYRADWTBW-UHFFFAOYSA-N 0 0 442.209 3.859 40 5 IHBBRN O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000009275194 569294982 /nfs/dbraw/zinc/29/49/82/569294982.db2.gz KQWBLJOKNJDAGC-UHFFFAOYSA-N 0 0 434.162 3.568 40 5 IHBBRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000010010432 569299008 /nfs/dbraw/zinc/29/90/08/569299008.db2.gz TZRAMEGRFHEJHA-UHFFFAOYSA-N 0 0 437.283 3.822 40 5 IHBBRN CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260512478 569307147 /nfs/dbraw/zinc/30/71/47/569307147.db2.gz WTSJGPLICLSYDO-VQIMIIECSA-N 0 0 433.530 3.634 40 5 IHBBRN CCc1ccc([C@H](C)NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000260795991 569311401 /nfs/dbraw/zinc/31/14/01/569311401.db2.gz NWVUUGVSLVVTNN-YWZLYKJASA-N 0 0 433.530 3.579 40 5 IHBBRN Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000019164831 569316309 /nfs/dbraw/zinc/31/63/09/569316309.db2.gz RRKVLMUOPKYROC-UHFFFAOYSA-N 0 0 437.905 3.596 40 5 IHBBRN COc1cccc(OCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])o2)c1 ZINC000019928596 569332055 /nfs/dbraw/zinc/33/20/55/569332055.db2.gz JQPBRLHULORDJA-UHFFFAOYSA-N 0 0 444.469 3.913 40 5 IHBBRN COc1cc(OC)cc(-c2nc(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])n[nH]2)c1 ZINC000019928940 569332158 /nfs/dbraw/zinc/33/21/58/569332158.db2.gz ANWAWCQZABXEGU-UHFFFAOYSA-N 0 0 443.485 3.745 40 5 IHBBRN Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 ZINC000020142711 569336022 /nfs/dbraw/zinc/33/60/22/569336022.db2.gz JSDVDOFNDSOVBG-UHFFFAOYSA-N 0 0 437.452 3.744 40 5 IHBBRN CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000095909133 569375101 /nfs/dbraw/zinc/37/51/01/569375101.db2.gz JPFAGBAZQUWDQJ-FHWLQOOXSA-N 0 0 429.860 3.895 40 5 IHBBRN CN(c1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 ZINC000225981403 569409742 /nfs/dbraw/zinc/40/97/42/569409742.db2.gz JSKKDFCPLNGITE-UHFFFAOYSA-N 0 0 425.466 3.601 40 5 IHBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000059132940 569459382 /nfs/dbraw/zinc/45/93/82/569459382.db2.gz VGRFGVQIDCFUBQ-UHFFFAOYSA-N 0 0 425.466 3.885 40 5 IHBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000040717512 569513772 /nfs/dbraw/zinc/51/37/72/569513772.db2.gz HMSDGYYGBXCSOS-KPKJPENVSA-N 0 0 436.512 3.941 40 5 IHBBRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccccc2[N+](=O)[O-])[C@H](C(=O)OCC)C1=O ZINC000020675259 520601304 /nfs/dbraw/zinc/60/13/04/520601304.db2.gz PJBXKBVOSNXKSI-PMACEKPBSA-N 0 0 436.468 3.860 40 5 IHBBRN Cc1sc2ncn3c(SCC(=O)Nc4cc([N+](=O)[O-])ccc4C)nnc3c2c1C ZINC000012491047 526899347 /nfs/dbraw/zinc/89/93/47/526899347.db2.gz KGPWNCMNNCIKLS-UHFFFAOYSA-N 0 0 428.499 3.903 40 5 IHBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000408669593 556059028 /nfs/dbraw/zinc/05/90/28/556059028.db2.gz XBRQROSTMMZMMV-UHFFFAOYSA-N 0 0 433.848 3.847 40 5 IHBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000408684422 556084151 /nfs/dbraw/zinc/08/41/51/556084151.db2.gz NGLYNGJHGHCLCW-FUHWJXTLSA-N 0 0 437.427 3.633 40 5 IHBBRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000035078973 556587524 /nfs/dbraw/zinc/58/75/24/556587524.db2.gz NNCQXHOQNOQWPQ-UHFFFAOYSA-N 0 0 430.892 3.868 40 5 IHBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccc([N+](=O)[O-])cc1 ZINC000408658715 556613890 /nfs/dbraw/zinc/61/38/90/556613890.db2.gz VFFSFFAFPYYFCF-GFCCVEGCSA-N 0 0 437.235 3.681 40 5 IHBBRN O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408682138 556616118 /nfs/dbraw/zinc/61/61/18/556616118.db2.gz IZONQLBWPARQLE-IAGOWNOFSA-N 0 0 441.871 3.981 40 5 IHBBRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)CCCC1=O ZINC000408685207 556616130 /nfs/dbraw/zinc/61/61/30/556616130.db2.gz OZDLVSSXQLYIRM-UHFFFAOYSA-N 0 0 436.251 3.998 40 5 IHBBRN O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408682139 556616854 /nfs/dbraw/zinc/61/68/54/556616854.db2.gz IZONQLBWPARQLE-IRXDYDNUSA-N 0 0 441.871 3.981 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000408704758 556618008 /nfs/dbraw/zinc/61/80/08/556618008.db2.gz SKBBVEMIWYHMGD-UHFFFAOYSA-N 0 0 441.465 3.684 40 5 IHBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1)OCc1ccccc1 ZINC000408736978 556618989 /nfs/dbraw/zinc/61/89/89/556618989.db2.gz KMHYOASOUYBSON-NRFANRHFSA-N 0 0 425.485 3.881 40 5 IHBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000409152307 556631280 /nfs/dbraw/zinc/63/12/80/556631280.db2.gz DXJGGSYYBRUUJL-LZYBPNLTSA-N 0 0 447.856 3.932 40 5 IHBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000409211659 556634576 /nfs/dbraw/zinc/63/45/76/556634576.db2.gz MLYQIDPQDMNFDT-LDADJPATSA-N 0 0 443.481 3.824 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000409255416 556636413 /nfs/dbraw/zinc/63/64/13/556636413.db2.gz KEKJMVIIHJHLAD-UHFFFAOYSA-N 0 0 443.456 3.876 40 5 IHBBRN COc1c(Br)cc(Br)cc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000409309884 556636766 /nfs/dbraw/zinc/63/67/66/556636766.db2.gz NPBZIIWPYWRVAR-IHWYPQMZSA-N 0 0 447.039 3.500 40 5 IHBBRN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1C ZINC000409340216 556636936 /nfs/dbraw/zinc/63/69/36/556636936.db2.gz SILDZUCMLBFUHJ-UHFFFAOYSA-N 0 0 441.513 3.958 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2c(C)cccc2C)n1C ZINC000409327321 556637259 /nfs/dbraw/zinc/63/72/59/556637259.db2.gz JCQORWHTBKAAFR-UHFFFAOYSA-N 0 0 441.513 3.958 40 5 IHBBRN O=c1/c(=C/c2ccc(OCc3ccccc3)cc2)sc2nc3ccc([N+](=O)[O-])cc3n12 ZINC000206310558 556750731 /nfs/dbraw/zinc/75/07/31/556750731.db2.gz VSXWIIURXNTPCX-MTJSOVHGSA-N 0 0 429.457 3.944 40 5 IHBBRN Cc1c(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220036761 556810519 /nfs/dbraw/zinc/81/05/19/556810519.db2.gz QSXHKQDVBQRGFW-GOSISDBHSA-N 0 0 433.530 3.573 40 5 IHBBRN COC(=O)C(=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)OC ZINC000409080468 556947149 /nfs/dbraw/zinc/94/71/49/556947149.db2.gz DMVUUQXZZKOYHE-UHFFFAOYSA-N 0 0 436.760 3.678 40 5 IHBBRN COc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)c([N+](=O)[O-])c1 ZINC000409168646 556983211 /nfs/dbraw/zinc/98/32/11/556983211.db2.gz NLYYHPSRCYJMJV-UHFFFAOYSA-N 0 0 430.442 3.605 40 5 IHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409177111 556986421 /nfs/dbraw/zinc/98/64/21/556986421.db2.gz ATYALCIZNOMZAD-UHFFFAOYSA-N 0 0 441.421 3.897 40 5 IHBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O ZINC000409199051 556992723 /nfs/dbraw/zinc/99/27/23/556992723.db2.gz AWEOWOACBUGIIB-MFVBVHDHSA-N 0 0 429.454 3.764 40 5 IHBBRN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000409341205 557068692 /nfs/dbraw/zinc/06/86/92/557068692.db2.gz ABOPHMIKMKSBOI-UHFFFAOYSA-N 0 0 427.486 3.824 40 5 IHBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O ZINC000409351937 557079304 /nfs/dbraw/zinc/07/93/04/557079304.db2.gz XRVFFLIWFRXZIW-VCHYOVAHSA-N 0 0 428.422 3.618 40 5 IHBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000409365890 557084004 /nfs/dbraw/zinc/08/40/04/557084004.db2.gz PPEQPXMEOVCCPV-VCHYOVAHSA-N 0 0 441.465 3.895 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O ZINC000220386042 557134239 /nfs/dbraw/zinc/13/42/39/557134239.db2.gz GEAPUXIAFCNCLX-GFCCVEGCSA-N 0 0 445.419 3.715 40 5 IHBBRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 ZINC000220396098 557135893 /nfs/dbraw/zinc/13/58/93/557135893.db2.gz RRPANXKMAIWSCC-DLBZAZTESA-N 0 0 433.530 3.552 40 5 IHBBRN CC(C)C[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 ZINC000220422126 557154446 /nfs/dbraw/zinc/15/44/46/557154446.db2.gz NLYXXLLAQTWRNA-OXQOHEQNSA-N 0 0 433.530 3.653 40 5 IHBBRN CCSc1nnc2c(n1)O[C@H](c1ccc(O)c(OC)c1[N+](=O)[O-])Nc1ccccc1-2 ZINC000015015753 557242500 /nfs/dbraw/zinc/24/25/00/557242500.db2.gz JASNLTSQUAATGP-QGZVFWFLSA-N 0 0 427.442 3.776 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000014135354 557309002 /nfs/dbraw/zinc/30/90/02/557309002.db2.gz HIVNAPSETNIMKW-UHFFFAOYSA-N 0 0 431.514 3.865 40 5 IHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408532061 557415556 /nfs/dbraw/zinc/41/55/56/557415556.db2.gz NFCLXPBDKSOCCB-GOSISDBHSA-N 0 0 439.493 3.787 40 5 IHBBRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000408550999 557416714 /nfs/dbraw/zinc/41/67/14/557416714.db2.gz GPCFNJZWCGQBSQ-UHFFFAOYSA-N 0 0 427.486 3.536 40 5 IHBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Br)c(C)c2)CC1=O ZINC000408648937 557425318 /nfs/dbraw/zinc/42/53/18/557425318.db2.gz YRMCOGHWDJFUCR-LBPRGKRZSA-N 0 0 448.273 3.666 40 5 IHBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000214764842 557459560 /nfs/dbraw/zinc/45/95/60/557459560.db2.gz GCUAZGPDCFXJLT-GZTJUZNOSA-N 0 0 427.438 3.669 40 5 IHBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)o1 ZINC000106764449 557532514 /nfs/dbraw/zinc/53/25/14/557532514.db2.gz OINTXWBNBOLEBI-WQRHYEAKSA-N 0 0 441.465 3.822 40 5 IHBBRN CCCC[C@@H](CC)CNC(=O)CCCN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000224861117 557659595 /nfs/dbraw/zinc/65/95/95/557659595.db2.gz OQIYWTBOHVKAMW-QGZVFWFLSA-N 0 0 427.567 3.782 40 5 IHBBRN COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225090117 557686788 /nfs/dbraw/zinc/68/67/88/557686788.db2.gz RBDYYHBITCUDRQ-UHFFFAOYSA-N 0 0 440.477 3.939 40 5 IHBBRN CCc1ccc([C@H](C)NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000260740938 557852465 /nfs/dbraw/zinc/85/24/65/557852465.db2.gz BBKWIBIAVFVGFZ-JXFKEZNVSA-N 0 0 447.557 3.888 40 5 IHBBRN Cc1ccc2cc(CN(C3CCCC3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1 ZINC000000913829 568636495 /nfs/dbraw/zinc/63/64/95/568636495.db2.gz QPNIXTVGMDYEDH-UHFFFAOYSA-N 0 0 441.509 3.878 40 5 IHBBRN Cc1ccc(CCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222377321 568639631 /nfs/dbraw/zinc/63/96/31/568639631.db2.gz QRMQVBMNZWEPQW-UHFFFAOYSA-N 0 0 447.557 3.507 40 5 IHBBRN CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222532282 568651444 /nfs/dbraw/zinc/65/14/44/568651444.db2.gz IUODAHVBYDEHOV-INIZCTEOSA-N 0 0 425.894 3.740 40 5 IHBBRN CCc1ccc([C@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222758181 568659907 /nfs/dbraw/zinc/65/99/07/568659907.db2.gz AKWQCOSPLJHTNG-INIZCTEOSA-N 0 0 433.530 3.581 40 5 IHBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)N1CCCCCC1 ZINC000015410941 568762008 /nfs/dbraw/zinc/76/20/08/568762008.db2.gz BKPMJSBRJDWUQI-UHFFFAOYSA-N 0 0 447.513 3.729 40 5 IHBBRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223015931 568775266 /nfs/dbraw/zinc/77/52/66/568775266.db2.gz CWMLJGMZVYNWAD-HXUWFJFHSA-N 0 0 429.542 3.690 40 5 IHBBRN CCc1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000016161977 568871971 /nfs/dbraw/zinc/87/19/71/568871971.db2.gz KWPAQQSHQHHCHE-UHFFFAOYSA-N 0 0 437.418 3.904 40 5 IHBBRN Cc1c(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000016250187 568874866 /nfs/dbraw/zinc/87/48/66/568874866.db2.gz IBVCXAQVSWQSTQ-UHFFFAOYSA-N 0 0 431.514 3.865 40 5 IHBBRN Cc1ccc(S[C@@]2(CN3CCOCC3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1 ZINC000016310863 568876731 /nfs/dbraw/zinc/87/67/31/568876731.db2.gz CSVMMOHSTIRHJE-QFIPXVFZSA-N 0 0 428.510 3.650 40 5 IHBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223948319 568879977 /nfs/dbraw/zinc/87/99/77/568879977.db2.gz FTDPCCJUYDWILF-NRFANRHFSA-N 0 0 441.528 3.870 40 5 IHBBRN CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000224052415 568889502 /nfs/dbraw/zinc/88/95/02/568889502.db2.gz NWVUUGVSLVVTNN-FOIQADDNSA-N 0 0 433.530 3.579 40 5 IHBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224246482 568916668 /nfs/dbraw/zinc/91/66/68/568916668.db2.gz LCHXQFIHYMPDRP-INIZCTEOSA-N 0 0 431.920 3.980 40 5 IHBBRN COc1ccc(N2O[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000036108845 568952484 /nfs/dbraw/zinc/95/24/84/568952484.db2.gz FZKPBSNVJMQEFD-YPAWHYETSA-N 0 0 445.431 3.655 40 5 IHBBRN Nn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1Cl ZINC000036654484 569130167 /nfs/dbraw/zinc/13/01/67/569130167.db2.gz FPQJHIRELQWPRS-UHFFFAOYSA-N 0 0 439.284 3.605 40 5 IHBBRN CCC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2Cl)CC1 ZINC000017097234 569172519 /nfs/dbraw/zinc/17/25/19/569172519.db2.gz CMGOZZCOZXIFFW-UHFFFAOYSA-N 0 0 430.892 3.868 40 5 IHBBRN COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225012216 569213531 /nfs/dbraw/zinc/21/35/31/569213531.db2.gz GXRUUYAIPAOFIT-UHFFFAOYSA-N 0 0 426.450 3.630 40 5 IHBBRN CCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225082373 569215593 /nfs/dbraw/zinc/21/55/93/569215593.db2.gz IWIRKEXMUAZILQ-UHFFFAOYSA-N 0 0 426.878 3.623 40 5 IHBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(C(=O)OCc2cccc([N+](=O)[O-])c2)n1 ZINC000003510554 569218483 /nfs/dbraw/zinc/21/84/83/569218483.db2.gz NUEHDKTXPURICJ-UHFFFAOYSA-N 0 0 437.364 3.612 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000010276052 569222101 /nfs/dbraw/zinc/22/21/01/569222101.db2.gz OUBGBRVNCUVIOW-MRXNPFEDSA-N 0 0 447.557 3.844 40 5 IHBBRN COc1ccc(Cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 ZINC000011650316 569224649 /nfs/dbraw/zinc/22/46/49/569224649.db2.gz HZPCSKJRZWQDIH-UHFFFAOYSA-N 0 0 434.861 3.961 40 5 IHBBRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)c(OC)c1 ZINC000021571378 569241618 /nfs/dbraw/zinc/24/16/18/569241618.db2.gz JUZNIARZEMJNMD-UHFFFAOYSA-N 0 0 430.442 3.701 40 5 IHBBRN O=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000038191157 569259007 /nfs/dbraw/zinc/25/90/07/569259007.db2.gz OTWCEKBHDRTQAU-UHFFFAOYSA-N 0 0 434.411 3.913 40 5 IHBBRN O=C(Nc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000038212415 569259068 /nfs/dbraw/zinc/25/90/68/569259068.db2.gz JVQRPQJMQQUATO-UHFFFAOYSA-N 0 0 433.427 3.946 40 5 IHBBRN CCCCc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000009064677 569293389 /nfs/dbraw/zinc/29/33/89/569293389.db2.gz JYHPHKUSCIMAFB-UHFFFAOYSA-N 0 0 442.541 3.901 40 5 IHBBRN O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000009192038 569294276 /nfs/dbraw/zinc/29/42/76/569294276.db2.gz PPRKBCRKRWLLLW-ATNYCFDYSA-N 0 0 430.420 3.847 40 5 IHBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nn12 ZINC000010010265 569299075 /nfs/dbraw/zinc/29/90/75/569299075.db2.gz RQCULFXKHLTSNS-UHFFFAOYSA-N 0 0 438.469 3.893 40 5 IHBBRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010119893 569299329 /nfs/dbraw/zinc/29/93/29/569299329.db2.gz XHIBMSXQFARPEX-UHFFFAOYSA-N 0 0 430.833 3.675 40 5 IHBBRN Cc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 ZINC000011566331 569302487 /nfs/dbraw/zinc/30/24/87/569302487.db2.gz WCGUNCGGEGHYOT-UHFFFAOYSA-N 0 0 444.399 3.744 40 5 IHBBRN O=[N+]([O-])c1ccc(NNS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000012042495 569303718 /nfs/dbraw/zinc/30/37/18/569303718.db2.gz UTFSJLFQYLOJFS-UHFFFAOYSA-N 0 0 441.636 3.769 40 5 IHBBRN CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260512986 569307152 /nfs/dbraw/zinc/30/71/52/569307152.db2.gz YYMWAMBVIBFTAU-YLJYHZDGSA-N 0 0 447.557 3.942 40 5 IHBBRN CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)c1 ZINC000019929260 569332168 /nfs/dbraw/zinc/33/21/68/569332168.db2.gz BCQIAHSQEMSWDH-UHFFFAOYSA-N 0 0 447.860 3.987 40 5 IHBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225752155 569408099 /nfs/dbraw/zinc/40/80/99/569408099.db2.gz HTKDZIRKRNLOHE-UTKZUKDTSA-N 0 0 441.528 3.868 40 5 IHBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317244 569430835 /nfs/dbraw/zinc/43/08/35/569430835.db2.gz ANDAYWATTXFVBM-UHFFFAOYSA-N 0 0 447.772 3.532 40 5 IHBBRN CCOc1ccc(C(=O)NC(=S)Nc2c3nsnc3ccc2Cl)cc1[N+](=O)[O-] ZINC000059294169 569460879 /nfs/dbraw/zinc/46/08/79/569460879.db2.gz CQLQCHJHNOPUPD-UHFFFAOYSA-N 0 0 437.890 3.778 40 5 IHBBRN CN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2cccc([N+](=O)[O-])c2)S1(=O)=O ZINC000219179649 569461941 /nfs/dbraw/zinc/46/19/41/569461941.db2.gz JYNWRMZSADCPED-UHFFFAOYSA-N 0 0 435.461 3.773 40 5 IHBBRN CCCCN1c2nc3ccccc3n2[C@H](c2ccccc2[N+](=O)[O-])[C@@H](C(=O)OCC)C1=O ZINC000020675256 520601351 /nfs/dbraw/zinc/60/13/51/520601351.db2.gz PJBXKBVOSNXKSI-WOJBJXKFSA-N 0 0 436.468 3.860 40 5 IHBBRN COc1ccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)c([N+](=O)[O-])c1 ZINC000012491088 524514834 /nfs/dbraw/zinc/51/48/34/524514834.db2.gz KSQJHKYNKQBZOR-UHFFFAOYSA-N 0 0 444.498 3.603 40 5 IHBBRN COC(=O)[C@H]1[C@@H](c2ccccc2[N+](=O)[O-])C=C[C@H](c2ccccc2[N+](=O)[O-])[C@@H]1C(=O)OC ZINC000004551878 556456903 /nfs/dbraw/zinc/45/69/03/556456903.db2.gz CKXDGJUGYNDOKK-YKCBXCCJSA-N 0 0 440.408 3.519 40 5 IHBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccc([N+](=O)[O-])cc1 ZINC000408658717 556613899 /nfs/dbraw/zinc/61/38/99/556613899.db2.gz VFFSFFAFPYYFCF-LBPRGKRZSA-N 0 0 437.235 3.681 40 5 IHBBRN CCOC(=O)CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 ZINC000408750189 556619726 /nfs/dbraw/zinc/61/97/26/556619726.db2.gz LJOOFUATVKOMJF-UHFFFAOYSA-N 0 0 443.462 3.660 40 5 IHBBRN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000408916536 556623302 /nfs/dbraw/zinc/62/33/02/556623302.db2.gz DVRYCLRGZYBBDW-CAOOACKPSA-N 0 0 445.409 3.757 40 5 IHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013511315 556666741 /nfs/dbraw/zinc/66/67/41/556666741.db2.gz GQTNLGAGVQATQO-UHFFFAOYSA-N 0 0 428.448 3.716 40 5 IHBBRN O=C(Nc1ccccc1I)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000000841643 556719806 /nfs/dbraw/zinc/71/98/06/556719806.db2.gz XOYCIOFVGRJLOS-UHFFFAOYSA-N 0 0 436.161 3.558 40 5 IHBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000409166776 556982412 /nfs/dbraw/zinc/98/24/12/556982412.db2.gz GBBSIRWQTQPVBN-LICLKQGHSA-N 0 0 427.438 3.587 40 5 IHBBRN COCCN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O ZINC000409215575 557010446 /nfs/dbraw/zinc/01/04/46/557010446.db2.gz BMEZTJLOJFIPNR-LICLKQGHSA-N 0 0 445.409 3.978 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000409265588 557039086 /nfs/dbraw/zinc/03/90/86/557039086.db2.gz MXVNBISOYBHJPP-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000409329746 557064058 /nfs/dbraw/zinc/06/40/58/557064058.db2.gz HZFCPGCOPIRQNA-UHFFFAOYSA-N 0 0 425.466 3.981 40 5 IHBBRN O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2[N+](=O)[O-])C1=O)N1CCc2ccccc2C1 ZINC000409369296 557088754 /nfs/dbraw/zinc/08/87/54/557088754.db2.gz APTHGPLRBHWGOE-HGBDCSHLSA-N 0 0 449.488 3.772 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)o1 ZINC000205862800 557126780 /nfs/dbraw/zinc/12/67/80/557126780.db2.gz SBKVPMVBHRXSCL-WOJGMQOQSA-N 0 0 441.465 3.822 40 5 IHBBRN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220403706 557143478 /nfs/dbraw/zinc/14/34/78/557143478.db2.gz ZHMXXZHTAMOBCM-SNVBAGLBSA-N 0 0 432.285 3.695 40 5 IHBBRN CC(C)c1ccc(CCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220424414 557154727 /nfs/dbraw/zinc/15/47/27/557154727.db2.gz UCPWUORIQNMBHF-KRWDZBQOSA-N 0 0 447.557 3.622 40 5 IHBBRN O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000057327930 557241413 /nfs/dbraw/zinc/24/14/13/557241413.db2.gz DDJHHMGUOCIQLL-UHFFFAOYSA-N 0 0 433.449 3.603 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(I)cc1C ZINC000014401779 557337266 /nfs/dbraw/zinc/33/72/66/557337266.db2.gz SSFQDUXCGWNWMA-UHFFFAOYSA-N 0 0 432.239 3.617 40 5 IHBBRN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565368 557418046 /nfs/dbraw/zinc/41/80/46/557418046.db2.gz JZEOZYJXRGHPOL-JHMXWDHMSA-N 0 0 447.466 3.927 40 5 IHBBRN Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000408665670 557427675 /nfs/dbraw/zinc/42/76/75/557427675.db2.gz VMFOGOVIXCUEDX-UHFFFAOYSA-N 0 0 433.848 3.766 40 5 IHBBRN CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000223465422 557475136 /nfs/dbraw/zinc/47/51/36/557475136.db2.gz BBKWIBIAVFVGFZ-OXQOHEQNSA-N 0 0 447.557 3.888 40 5 IHBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224210540 557575711 /nfs/dbraw/zinc/57/57/11/557575711.db2.gz SUZTXNOUAAUBJT-MRXNPFEDSA-N 0 0 431.920 3.980 40 5 IHBBRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000032517118 557806344 /nfs/dbraw/zinc/80/63/44/557806344.db2.gz ZIQWMWCFWMOVFV-UHFFFAOYSA-N 0 0 447.513 3.729 40 5 IHBBRN Cc1ccc([C@@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000222367927 568638215 /nfs/dbraw/zinc/63/82/15/568638215.db2.gz AVACUYMXCROSGG-QGZVFWFLSA-N 0 0 433.530 3.635 40 5 IHBBRN Cc1ccc([C@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 ZINC000222367507 568638268 /nfs/dbraw/zinc/63/82/68/568638268.db2.gz SSRLTBHJACZDOO-KRWDZBQOSA-N 0 0 433.530 3.635 40 5 IHBBRN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000222362077 568638308 /nfs/dbraw/zinc/63/83/08/568638308.db2.gz UXCOKRFYRUZNER-UHFFFAOYSA-N 0 0 445.419 3.799 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O ZINC000222372486 568640144 /nfs/dbraw/zinc/64/01/44/568640144.db2.gz IGOPYBYYLMIVJX-UHFFFAOYSA-N 0 0 425.894 3.742 40 5 IHBBRN CC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222521650 568650274 /nfs/dbraw/zinc/65/02/74/568650274.db2.gz POYGDJZQMNWWQK-MRXNPFEDSA-N 0 0 429.857 3.571 40 5 IHBBRN CC[C@H](C(=O)NCCCc1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222541038 568652215 /nfs/dbraw/zinc/65/22/15/568652215.db2.gz KPFTVVHFLGWFSP-HXUWFJFHSA-N 0 0 447.557 3.505 40 5 IHBBRN Cc1ccccc1N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000222558275 568652882 /nfs/dbraw/zinc/65/28/82/568652882.db2.gz URZNRYQRQWWWSR-UHFFFAOYSA-N 0 0 425.894 3.742 40 5 IHBBRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)c1C ZINC000059176293 568780378 /nfs/dbraw/zinc/78/03/78/568780378.db2.gz DCFXDPLPIUDEOX-UHFFFAOYSA-N 0 0 441.513 3.958 40 5 IHBBRN COc1cc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc(OC)c1OC(C)=O ZINC000016321777 568876889 /nfs/dbraw/zinc/87/68/89/568876889.db2.gz MDLMFGMZXXGKRD-GIDUJCDVSA-N 0 0 446.799 3.535 40 5 IHBBRN Cc1cccc(C)c1NCc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1C ZINC000006443446 568906926 /nfs/dbraw/zinc/90/69/26/568906926.db2.gz YKIQMKFRGKRUBY-UHFFFAOYSA-N 0 0 426.502 3.683 40 5 IHBBRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000224424592 568925952 /nfs/dbraw/zinc/92/59/52/568925952.db2.gz XMYHJWZXMSBKHL-UHFFFAOYSA-N 0 0 439.493 3.976 40 5 IHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000139152543 569138849 /nfs/dbraw/zinc/13/88/49/569138849.db2.gz ULQWDEVSJCJVLY-RTBURBONSA-N 0 0 439.855 3.757 40 5 IHBBRN CCCCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000017094833 569173036 /nfs/dbraw/zinc/17/30/36/569173036.db2.gz SVJNDUXWCKUPGZ-UHFFFAOYSA-N 0 0 426.473 3.812 40 5 IHBBRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000017099474 569173664 /nfs/dbraw/zinc/17/36/64/569173664.db2.gz BYTQVEVWBAFNIU-UHFFFAOYSA-N 0 0 435.436 3.779 40 5 IHBBRN Cc1c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cccc1[N+](=O)[O-] ZINC000017103030 569173667 /nfs/dbraw/zinc/17/36/67/569173667.db2.gz PKRCAFVHATYMIS-UHFFFAOYSA-N 0 0 439.247 3.701 40 5 IHBBRN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000017101089 569173784 /nfs/dbraw/zinc/17/37/84/569173784.db2.gz IQLMVGNQOCKIAY-UHFFFAOYSA-N 0 0 437.283 3.822 40 5 IHBBRN C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@H](O)CC[C@]54C)[C@@H]3C[N@+]2([O-])C1 ZINC000252462365 569184651 /nfs/dbraw/zinc/18/46/51/569184651.db2.gz RTQDXHMAHWNJLQ-FKAHYCTHSA-N 0 0 445.644 3.899 40 5 biogenic IHBBRN Cc1c(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224860926 569190344 /nfs/dbraw/zinc/19/03/44/569190344.db2.gz SMRWCTSGRCQHOF-UHFFFAOYSA-N 0 0 427.567 3.780 40 5 IHBBRN CCOc1c(I)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000033850938 569247003 /nfs/dbraw/zinc/24/70/03/569247003.db2.gz PBGGSSPQXHBTGN-UHFFFAOYSA-N 0 0 442.209 3.859 40 5 IHBBRN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000017950182 569282520 /nfs/dbraw/zinc/28/25/20/569282520.db2.gz SCCPQDAGFFQDBE-FSSWDIPSSA-N 0 0 445.431 3.655 40 5 IHBBRN CCOC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113884033 569297016 /nfs/dbraw/zinc/29/70/16/569297016.db2.gz DDRHUJXDMJDSBA-UHFFFAOYSA-N 0 0 433.269 3.660 40 5 IHBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccc(Br)cc3)nc21 ZINC000010010656 569299041 /nfs/dbraw/zinc/29/90/41/569299041.db2.gz SVLPZQMUSKHNCK-UHFFFAOYSA-N 0 0 438.259 3.993 40 5 IHBBRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000010010436 569299055 /nfs/dbraw/zinc/29/90/55/569299055.db2.gz WRKVWWDQKJMNHI-UHFFFAOYSA-N 0 0 437.283 3.822 40 5 IHBBRN O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c3cnn4-c3cccc(Cl)c3)CC2)cc1 ZINC000010254033 569299364 /nfs/dbraw/zinc/29/93/64/569299364.db2.gz QTOIGSUQEYVMST-UHFFFAOYSA-N 0 0 435.875 3.704 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000010331121 569299792 /nfs/dbraw/zinc/29/97/92/569299792.db2.gz VTENZUOCSXALAG-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN C[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000260935052 569312501 /nfs/dbraw/zinc/31/25/01/569312501.db2.gz OJUVNMMQBZKZPR-HOTGVXAUSA-N 0 0 445.541 3.506 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000019160984 569316311 /nfs/dbraw/zinc/31/63/11/569316311.db2.gz NCCVCKGIWYOYGO-UHFFFAOYSA-N 0 0 437.905 3.596 40 5 IHBBRN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000019631098 569324132 /nfs/dbraw/zinc/32/41/32/569324132.db2.gz FTNXHSQJMKXEMO-UHFFFAOYSA-N 0 0 440.275 3.501 40 5 IHBBRN COc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(OC)c2)cc1[N+](=O)[O-] ZINC000019645769 569324844 /nfs/dbraw/zinc/32/48/44/569324844.db2.gz NSRYXMCLBVNSLG-UHFFFAOYSA-N 0 0 447.403 3.665 40 5 IHBBRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000020061806 569332890 /nfs/dbraw/zinc/33/28/90/569332890.db2.gz WFBUIWQFKKZZLL-UHFFFAOYSA-N 0 0 431.514 3.885 40 5 IHBBRN COC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1OC(C)C ZINC000225770529 569408303 /nfs/dbraw/zinc/40/83/03/569408303.db2.gz FJIULRODOVMBLY-UHFFFAOYSA-N 0 0 442.468 3.856 40 5 IHBBRN CC(C)NC(=O)c1cc2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2oc1=O ZINC000002887469 569424033 /nfs/dbraw/zinc/42/40/33/569424033.db2.gz SVJKAZUQRAZQMH-UHFFFAOYSA-N 0 0 430.800 3.712 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000030872003 569450054 /nfs/dbraw/zinc/45/00/54/569450054.db2.gz HNGXNGMPFCOBSR-LJQANCHMSA-N 0 0 445.541 3.516 40 5 IHBBRN Cc1c([N+](=O)[O-])cc(N2C(=O)c3ccccc3C2=O)cc1N1C(=O)c2ccccc2C1=O ZINC000003672282 569456138 /nfs/dbraw/zinc/45/61/38/569456138.db2.gz KFFZDMXRXZCVQX-UHFFFAOYSA-N 0 0 427.372 3.504 40 5 IHBBRN COc1ccccc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O ZINC000004010307 569457977 /nfs/dbraw/zinc/45/79/77/569457977.db2.gz ZGJQSPINOPAOTC-VSKRKVRLSA-N 0 0 445.431 3.655 40 5 IHBBRN Nn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000008645320 569469574 /nfs/dbraw/zinc/46/95/74/569469574.db2.gz UXXCKHPQZYOUSD-UHFFFAOYSA-N 0 0 439.284 3.605 40 5 IHBBRN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2c(c1)OCO2 ZINC000032127891 569583585 /nfs/dbraw/zinc/58/35/85/569583585.db2.gz WDUYWXGEFOXALE-UHFFFAOYSA-N 0 0 428.451 3.574 40 5 IHBBRN COc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006157227 193886616 /nfs/dbraw/zinc/88/66/16/193886616.db2.gz JLDNJYBPQPNMOS-UHFFFAOYSA-N 0 0 439.497 3.566 40 5 IHBBRN CC[C@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1C ZINC000022375317 522381623 /nfs/dbraw/zinc/38/16/23/522381623.db2.gz GWISWXOUQSAXPG-IBGZPJMESA-N 0 0 433.530 3.554 40 5 IHBBRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C2)cc1 ZINC000022258848 525534869 /nfs/dbraw/zinc/53/48/69/525534869.db2.gz NWINABVHDPMGIU-AWEZNQCLSA-N 0 0 437.905 3.596 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000021994049 526078570 /nfs/dbraw/zinc/07/85/70/526078570.db2.gz MCBYQRNUGRNAFT-UHFFFAOYSA-N 0 0 433.420 3.951 40 5 IHBBRN O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000001313191 526913046 /nfs/dbraw/zinc/91/30/46/526913046.db2.gz WHOMRIWFTKVBAD-UHFFFAOYSA-N 0 0 443.593 3.959 40 5 IHBBRN Cc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408654996 556613452 /nfs/dbraw/zinc/61/34/52/556613452.db2.gz RCANHVUJGWENBY-ZFWWWQNUSA-N 0 0 430.844 3.724 40 5 IHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000408688090 556616634 /nfs/dbraw/zinc/61/66/34/556616634.db2.gz VSLBNNYPAWZLNE-IYBDPMFKSA-N 0 0 439.855 3.757 40 5 IHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408688668 556616686 /nfs/dbraw/zinc/61/66/86/556616686.db2.gz WMISJYVUICPZGG-ROUUACIJSA-N 0 0 441.871 3.981 40 5 IHBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000100587087 556626817 /nfs/dbraw/zinc/62/68/17/556626817.db2.gz XFLYLUWAQGFVEE-FKBYEOEOSA-N 0 0 429.432 3.954 40 5 IHBBRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408996902 556627393 /nfs/dbraw/zinc/62/73/93/556627393.db2.gz BKAGMEKTTZBGSQ-LJQANCHMSA-N 0 0 440.452 3.683 40 5 IHBBRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000409177003 556632769 /nfs/dbraw/zinc/63/27/69/556632769.db2.gz AJXZZTNEFNJVMS-UHFFFAOYSA-N 0 0 441.465 3.585 40 5 IHBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409234639 556635741 /nfs/dbraw/zinc/63/57/41/556635741.db2.gz OHCWVZOEFYBSEI-LICLKQGHSA-N 0 0 427.438 3.587 40 5 IHBBRN CC(C)CCn1ccc2nc3ccn(-c4nc(C5CCCCC5)n[nH]4)c(=O)c3cc2c1=O ZINC000040399016 556641154 /nfs/dbraw/zinc/64/11/54/556641154.db2.gz JHRSLFQXMLNMFF-UHFFFAOYSA-N 0 0 432.528 3.913 40 5 IHBBRN COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000409051398 556933190 /nfs/dbraw/zinc/93/31/90/556933190.db2.gz LSPBKGSKGZCIGJ-ZDLGFXPLSA-N 0 0 448.428 3.866 40 5 IHBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)o1 ZINC000409078157 556948798 /nfs/dbraw/zinc/94/87/98/556948798.db2.gz HUSDRMRAYUFUCM-UHFFFAOYSA-N 0 0 425.401 3.518 40 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Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@@H](CC(C)C)c1ccccc1)S(C)(=O)=O ZINC000220396667 557135917 /nfs/dbraw/zinc/13/59/17/557135917.db2.gz XHBUANQINCMHSV-XLIONFOSSA-N 0 0 447.557 3.961 40 5 IHBBRN Cc1cccc(N2C(=O)[C@@H]3[C@H](c4ccc([N+](=O)[O-])cc4)N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000101080294 557228157 /nfs/dbraw/zinc/22/81/57/557228157.db2.gz QCMIGTMWYPLPKM-FSSWDIPSSA-N 0 0 429.432 3.954 40 5 IHBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000057317137 557240772 /nfs/dbraw/zinc/24/07/72/557240772.db2.gz HUYWVOJURROJER-IZZDOVSWSA-N 0 0 436.512 3.941 40 5 IHBBRN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000101155889 557262436 /nfs/dbraw/zinc/26/24/36/557262436.db2.gz MOSFIMPGJSYNDM-FSSWDIPSSA-N 0 0 445.431 3.655 40 5 IHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000014630110 557345988 /nfs/dbraw/zinc/34/59/88/557345988.db2.gz JNGRLFFLRONSCA-SNAWJCMRSA-N 0 0 427.329 3.652 40 5 IHBBRN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000102754741 557379476 /nfs/dbraw/zinc/37/94/76/557379476.db2.gz MOSFIMPGJSYNDM-BHIFYINESA-N 0 0 445.431 3.655 40 5 IHBBRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c(C)c1 ZINC000408550863 557416697 /nfs/dbraw/zinc/41/66/97/557416697.db2.gz FVGWEHSJIQXTBN-QGZVFWFLSA-N 0 0 431.514 3.559 40 5 IHBBRN CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)o1 ZINC000408559213 557416819 /nfs/dbraw/zinc/41/68/19/557416819.db2.gz YCQSTGYZNBUDDB-UHFFFAOYSA-N 0 0 430.442 3.783 40 5 IHBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(C(=O)OC)cc2)cc1 ZINC000408574509 557418872 /nfs/dbraw/zinc/41/88/72/557418872.db2.gz UZWPWGMWJRWSIU-IBGZPJMESA-N 0 0 442.497 3.871 40 5 IHBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 ZINC000014123057 557420967 /nfs/dbraw/zinc/42/09/67/557420967.db2.gz SAASIBGSWLMBKN-UHFFFAOYSA-N 0 0 447.904 3.995 40 5 IHBBRN CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000408647309 557425073 /nfs/dbraw/zinc/42/50/73/557425073.db2.gz WWAUBKBYYYUDDZ-KRWDZBQOSA-N 0 0 439.468 3.852 40 5 IHBBRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000014629991 557448811 /nfs/dbraw/zinc/44/88/11/557448811.db2.gz LQHMIVZEAKLPFY-UHFFFAOYSA-N 0 0 435.736 3.906 40 5 IHBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000105394618 557497551 /nfs/dbraw/zinc/49/75/51/557497551.db2.gz IYSBPSLRKSFRGI-UHFFFAOYSA-N 0 0 445.388 3.662 40 5 IHBBRN Cc1ccc(C)c([C@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000222365734 568638260 /nfs/dbraw/zinc/63/82/60/568638260.db2.gz WNSDEWMBVRWDIS-KRWDZBQOSA-N 0 0 433.530 3.635 40 5 IHBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222504478 568649318 /nfs/dbraw/zinc/64/93/18/568649318.db2.gz PRFCWIUFKLRECT-DYESRHJHSA-N 0 0 441.528 3.868 40 5 IHBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222505306 568649388 /nfs/dbraw/zinc/64/93/88/568649388.db2.gz VZCZQSJDVVMIAS-MRXNPFEDSA-N 0 0 429.857 3.571 40 5 IHBBRN CC[C@@H](C(=O)Nc1cccc(Cl)c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222519883 568650058 /nfs/dbraw/zinc/65/00/58/568650058.db2.gz TWVLXRUXNCRDPY-KRWDZBQOSA-N 0 0 425.894 3.740 40 5 IHBBRN CCc1ccc([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222651873 568656513 /nfs/dbraw/zinc/65/65/13/568656513.db2.gz WWLFEQZPNJSOKV-QGZVFWFLSA-N 0 0 447.557 3.889 40 5 IHBBRN CC[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222809975 568661260 /nfs/dbraw/zinc/66/12/60/568661260.db2.gz JEOSCQQLSNUNRV-NRFANRHFSA-N 0 0 441.509 3.609 40 5 IHBBRN C[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222985729 568774487 /nfs/dbraw/zinc/77/44/87/568774487.db2.gz OJUVNMMQBZKZPR-HZPDHXFCSA-N 0 0 445.541 3.506 40 5 IHBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223086258 568779254 /nfs/dbraw/zinc/77/92/54/568779254.db2.gz OSLMTKPPDUGCKG-DEOSSOPVSA-N 0 0 445.519 3.914 40 5 IHBBRN Cc1ccc(C2=N/C(=C/c3ccccc3I)C(=O)O2)cc1[N+](=O)[O-] ZINC000001435636 568794659 /nfs/dbraw/zinc/79/46/59/568794659.db2.gz NFNTUHDCFURQNL-RIYZIHGNSA-N 0 0 434.189 3.852 40 5 IHBBRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)ccc32)cc1 ZINC000223376918 568820277 /nfs/dbraw/zinc/82/02/77/568820277.db2.gz PKFXHNZXFUWDEQ-UHFFFAOYSA-N 0 0 437.477 3.907 40 5 IHBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223407771 568824819 /nfs/dbraw/zinc/82/48/19/568824819.db2.gz FYZBJFKVYFGKLC-LJQANCHMSA-N 0 0 429.492 3.999 40 5 IHBBRN Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1[N+](=O)[O-] ZINC000223582072 568875692 /nfs/dbraw/zinc/87/56/92/568875692.db2.gz WCEABWUKHMGLCN-UHFFFAOYSA-N 0 0 430.486 3.897 40 5 IHBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000016384037 568885752 /nfs/dbraw/zinc/88/57/52/568885752.db2.gz AIEVBUBMNGDHFJ-UHFFFAOYSA-N 0 0 439.324 3.739 40 5 IHBBRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000016431210 568900278 /nfs/dbraw/zinc/90/02/78/568900278.db2.gz XXJIUMVFRZPWPS-UHFFFAOYSA-N 0 0 437.846 3.893 40 5 IHBBRN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)c1 ZINC000224135515 568906562 /nfs/dbraw/zinc/90/65/62/568906562.db2.gz BEPBTTMRYFEILJ-UHFFFAOYSA-N 0 0 425.466 3.981 40 5 IHBBRN Cc1ccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nnc2-c2cnccn2)cc1 ZINC000016789566 569162047 /nfs/dbraw/zinc/16/20/47/569162047.db2.gz NNNQPFVXBWAVDG-UHFFFAOYSA-N 0 0 432.465 3.916 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017096441 569172283 /nfs/dbraw/zinc/17/22/83/569172283.db2.gz HKIKZPKGBXRLHH-UHFFFAOYSA-N 0 0 429.458 3.538 40 5 IHBBRN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000017083391 569172288 /nfs/dbraw/zinc/17/22/88/569172288.db2.gz ZSQUEJRZYQORSN-FQEVSTJZSA-N 0 0 447.285 3.965 40 5 IHBBRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 ZINC000017097517 569172417 /nfs/dbraw/zinc/17/24/17/569172417.db2.gz CSZVBVCCJUVBOI-GFCCVEGCSA-N 0 0 431.514 3.924 40 5 IHBBRN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017096086 569172602 /nfs/dbraw/zinc/17/26/02/569172602.db2.gz PFZLAKLWTXHMFJ-UHFFFAOYSA-N 0 0 428.558 3.624 40 5 IHBBRN CN(C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000017095492 569172975 /nfs/dbraw/zinc/17/29/75/569172975.db2.gz JMOBGHSMPZIGGX-UHFFFAOYSA-N 0 0 427.530 3.778 40 5 IHBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1[N+](=O)[O-] ZINC000017102768 569173418 /nfs/dbraw/zinc/17/34/18/569173418.db2.gz OXLRLCAVKDLJNV-UHFFFAOYSA-N 0 0 438.849 3.990 40 5 IHBBRN CCOC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224785631 569186837 /nfs/dbraw/zinc/18/68/37/569186837.db2.gz 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CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000008902596 569292227 /nfs/dbraw/zinc/29/22/27/569292227.db2.gz RGWMJGXDQKEVLQ-UHFFFAOYSA-N 0 0 442.541 3.856 40 5 IHBBRN COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009209927 569294350 /nfs/dbraw/zinc/29/43/50/569294350.db2.gz WJWDXWPFSSJJII-QDSKXPNFSA-N 0 0 439.512 3.910 40 5 IHBBRN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000013303411 569312804 /nfs/dbraw/zinc/31/28/04/569312804.db2.gz GOZNAOIWMYBHOY-UHFFFAOYSA-N 0 0 443.393 3.523 40 5 IHBBRN O=[N+]([O-])c1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)cc1 ZINC000329020307 569321845 /nfs/dbraw/zinc/32/18/45/569321845.db2.gz OALJSQXDVPGNCP-UHFFFAOYSA-N 0 0 445.401 3.981 40 5 IHBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)n[nH]c3C)cc2)cc1[N+](=O)[O-] ZINC000019629653 569324044 /nfs/dbraw/zinc/32/40/44/569324044.db2.gz ISVVEXSRBQEPLX-UHFFFAOYSA-N 0 0 439.497 3.661 40 5 IHBBRN O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1)c1ccccc1 ZINC000019644472 569324912 /nfs/dbraw/zinc/32/49/12/569324912.db2.gz XDDUVZNTOLOUGW-UHFFFAOYSA-N 0 0 446.463 3.936 40 5 IHBBRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000020528678 569371552 /nfs/dbraw/zinc/37/15/52/569371552.db2.gz PNLHREZJFPCJEP-UHFFFAOYSA-N 0 0 435.469 3.614 40 5 IHBBRN COCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1Cl ZINC000225565616 569404374 /nfs/dbraw/zinc/40/43/74/569404374.db2.gz ULJSXIZEXRFWNG-UHFFFAOYSA-N 0 0 434.876 3.960 40 5 IHBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225573475 569404742 /nfs/dbraw/zinc/40/47/42/569404742.db2.gz GAVJSMGPNVAXEF-XMMPIXPASA-N 0 0 445.519 3.832 40 5 IHBBRN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cc([N+](=O)[O-])ccc1Br ZINC000032119098 569460271 /nfs/dbraw/zinc/46/02/71/569460271.db2.gz NKRAEZXZXVARAF-UHFFFAOYSA-N 0 0 438.347 3.786 40 5 IHBBRN CCCCN1c2nc3ccccc3n2[C@H](c2ccccc2[N+](=O)[O-])[C@H](C(=O)OCC)C1=O 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CC(C)c1ccc(CCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220424355 557154798 /nfs/dbraw/zinc/15/47/98/557154798.db2.gz UCPWUORIQNMBHF-QGZVFWFLSA-N 0 0 447.557 3.622 40 5 IHBBRN CCCOc1ccc([N+](=O)[O-])cc1[C@H]1Nc2ccccc2[C@H]2C(=O)NC(SC)=NN12 ZINC000588229106 557155299 /nfs/dbraw/zinc/15/52/99/557155299.db2.gz FDGZPTMNJUPALL-ROUUACIJSA-N 0 0 427.486 3.615 40 5 IHBBRN COc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000100963487 557208126 /nfs/dbraw/zinc/20/81/26/557208126.db2.gz SJZVHCSHLUOAHU-VSKRKVRLSA-N 0 0 445.431 3.655 40 5 IHBBRN Cc1cccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000101080299 557227958 /nfs/dbraw/zinc/22/79/58/557227958.db2.gz QCMIGTMWYPLPKM-VSKRKVRLSA-N 0 0 429.432 3.954 40 5 IHBBRN CCOc1ccc(C(=O)Nc2cccc(-c3nn4c(CC)nnc4s3)c2)cc1[N+](=O)[O-] ZINC000057316934 557240256 /nfs/dbraw/zinc/24/02/56/557240256.db2.gz AEIFPPOTBVWTQH-UHFFFAOYSA-N 0 0 438.469 3.974 40 5 IHBBRN 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O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102761009 557385256 /nfs/dbraw/zinc/38/52/56/557385256.db2.gz LEDCWLZFYZHCKR-ACRUOGEOSA-N 0 0 433.395 3.785 40 5 IHBBRN CCn1c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408526296 557412947 /nfs/dbraw/zinc/41/29/47/557412947.db2.gz ARZBJGHJIYMNMI-UHFFFAOYSA-N 0 0 433.808 3.565 40 5 IHBBRN CCN(CC)c1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)n(C)c(=O)n2C ZINC000408528023 557413049 /nfs/dbraw/zinc/41/30/49/557413049.db2.gz DVYWDCWYIBZYFV-UHFFFAOYSA-N 0 0 431.880 3.537 40 5 IHBBRN CN1C[C@H](c2ccc(OCc3ccccc3F)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408570120 557417574 /nfs/dbraw/zinc/41/75/74/557417574.db2.gz ZLLOQTNSQCHJIC-HFRGRHLUSA-N 0 0 447.466 3.927 40 5 IHBBRN CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000408582010 557420438 /nfs/dbraw/zinc/42/04/38/557420438.db2.gz KZEUFBNIMWGGLQ-UHFFFAOYSA-N 0 0 445.476 3.964 40 5 IHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000408644115 557424812 /nfs/dbraw/zinc/42/48/12/557424812.db2.gz DQIGCXZDCZCEKF-JTQLQIEISA-N 0 0 443.239 3.859 40 5 IHBBRN O=C(CCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000408661008 557426784 /nfs/dbraw/zinc/42/67/84/557426784.db2.gz CJACIEOFANMIPF-UHFFFAOYSA-N 0 0 440.239 3.802 40 5 IHBBRN O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000408666487 557427370 /nfs/dbraw/zinc/42/73/70/557427370.db2.gz ZSJKFILCLVDGKV-UHFFFAOYSA-N 0 0 440.239 3.802 40 5 IHBBRN CN1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000014273659 557433234 /nfs/dbraw/zinc/43/32/34/557433234.db2.gz AZXQXKAIUPIOPR-UHFFFAOYSA-N 0 0 443.935 3.853 40 5 IHBBRN Cc1cc(=O)n2c(n1)NC(Nc1cccc(C(F)(F)F)c1)=N[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000105330245 557495355 /nfs/dbraw/zinc/49/53/55/557495355.db2.gz DHCOGLDJSQFDKJ-QGZVFWFLSA-N 0 0 444.373 3.919 40 5 IHBBRN CCOC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000106740387 557531899 /nfs/dbraw/zinc/53/18/99/557531899.db2.gz LVCRXTGELKWORL-WQRHYEAKSA-N 0 0 442.449 3.773 40 5 IHBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222506670 568649366 /nfs/dbraw/zinc/64/93/66/568649366.db2.gz ATTRLRNQOXYZBX-QGZVFWFLSA-N 0 0 443.884 3.879 40 5 IHBBRN CC[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222520251 568650014 /nfs/dbraw/zinc/65/00/14/568650014.db2.gz PSGKRPONDBCQOJ-MRXNPFEDSA-N 0 0 445.419 3.797 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 ZINC000222532554 568651436 /nfs/dbraw/zinc/65/14/36/568651436.db2.gz LYOBYUDIBRSLNR-UHFFFAOYSA-N 0 0 441.465 3.681 40 5 IHBBRN CS(=O)(=O)N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)c(F)c1 ZINC000222680562 568657169 /nfs/dbraw/zinc/65/71/69/568657169.db2.gz JHHYVGVGYVLUQK-UHFFFAOYSA-N 0 0 447.847 3.711 40 5 IHBBRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)c1C ZINC000059176277 568780440 /nfs/dbraw/zinc/78/04/40/568780440.db2.gz BNLGGAWASADSDI-UHFFFAOYSA-N 0 0 441.513 3.958 40 5 IHBBRN COc1ccc(Nc2ncnc(Nc3ccc(OC)cc3OC)c2[N+](=O)[O-])c(OC)c1 ZINC000016215573 568872894 /nfs/dbraw/zinc/87/28/94/568872894.db2.gz QRSRJWBMHNRCTC-UHFFFAOYSA-N 0 0 427.417 3.906 40 5 IHBBRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223677677 568876146 /nfs/dbraw/zinc/87/61/46/568876146.db2.gz LFXXTONYQYXODQ-FQEVSTJZSA-N 0 0 425.529 3.902 40 5 IHBBRN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016384003 568886335 /nfs/dbraw/zinc/88/63/35/568886335.db2.gz HRHBCCWSPBRGQZ-UHFFFAOYSA-N 0 0 425.228 3.772 40 5 IHBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)n1 ZINC000001851126 568916725 /nfs/dbraw/zinc/91/67/25/568916725.db2.gz FHUFEBQKJSUTLE-UHFFFAOYSA-N 0 0 437.364 3.612 40 5 IHBBRN CC(C)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000017095912 569172361 /nfs/dbraw/zinc/17/23/61/569172361.db2.gz WUEQESUUJUDUFC-UHFFFAOYSA-N 0 0 428.514 3.682 40 5 IHBBRN CC(C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000017095905 569173038 /nfs/dbraw/zinc/17/30/38/569173038.db2.gz VSQIALVKXBOCLL-UHFFFAOYSA-N 0 0 428.514 3.682 40 5 IHBBRN CCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224779042 569186335 /nfs/dbraw/zinc/18/63/35/569186335.db2.gz ZZCKDBQCOYLSEV-UHFFFAOYSA-N 0 0 426.878 3.623 40 5 IHBBRN CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225078194 569214199 /nfs/dbraw/zinc/21/41/99/569214199.db2.gz MTLCKGGNAVXHAV-UHFFFAOYSA-N 0 0 447.296 3.968 40 5 IHBBRN COC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225089126 569215592 /nfs/dbraw/zinc/21/55/92/569215592.db2.gz DEZKXOPZAGUBGJ-UHFFFAOYSA-N 0 0 433.269 3.578 40 5 IHBBRN CCOC(=O)c1cc(N(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Cl ZINC000225091976 569215952 /nfs/dbraw/zinc/21/59/52/569215952.db2.gz VQIRZJQHFNDDIE-UHFFFAOYSA-N 0 0 426.878 3.949 40 5 IHBBRN C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000010111922 569221279 /nfs/dbraw/zinc/22/12/79/569221279.db2.gz IGVFPPIHNFGNIW-OAHLLOKOSA-N 0 0 433.530 3.536 40 5 IHBBRN Cc1ccc(NC(=O)CSc2n[nH]c(COc3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000021112995 569241482 /nfs/dbraw/zinc/24/14/82/569241482.db2.gz UUMXDMKSUPWUSB-UHFFFAOYSA-N 0 0 433.877 3.985 40 5 IHBBRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000034829252 569247810 /nfs/dbraw/zinc/24/78/10/569247810.db2.gz WQCNTBXSHZJRPA-UHFFFAOYSA-N 0 0 430.892 3.868 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O ZINC000225293720 569287745 /nfs/dbraw/zinc/28/77/45/569287745.db2.gz WBIDYCIHIDCSEV-UHFFFAOYSA-N 0 0 447.557 3.587 40 5 IHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000008832607 569291106 /nfs/dbraw/zinc/29/11/06/569291106.db2.gz ZVCTUSUHCCHGOU-IZZDOVSWSA-N 0 0 446.463 3.802 40 5 IHBBRN CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000009064787 569293436 /nfs/dbraw/zinc/29/34/36/569293436.db2.gz LNPKXKCFOFZLLI-UHFFFAOYSA-N 0 0 441.513 3.670 40 5 IHBBRN Cc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C1=O ZINC000009158192 569293971 /nfs/dbraw/zinc/29/39/71/569293971.db2.gz LYHURZVPPLFWJW-BDTNDASRSA-N 0 0 429.432 3.954 40 5 IHBBRN Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000009454788 569296482 /nfs/dbraw/zinc/29/64/82/569296482.db2.gz GHOVMVSZIPSWNX-BDTNDASRSA-N 0 0 429.432 3.954 40 5 IHBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000013371985 569314475 /nfs/dbraw/zinc/31/44/75/569314475.db2.gz AMEVSOYVZYUHMA-UHFFFAOYSA-N 0 0 435.805 3.937 40 5 IHBBRN Cn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000013401862 569315302 /nfs/dbraw/zinc/31/53/02/569315302.db2.gz WROCCZSXBJEQFR-UHFFFAOYSA-N 0 0 432.893 3.720 40 5 IHBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018209895 569316118 /nfs/dbraw/zinc/31/61/18/569316118.db2.gz MNUHBILPENDACX-FSSWDIPSSA-N 0 0 429.432 3.954 40 5 IHBBRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 ZINC000019162996 569316334 /nfs/dbraw/zinc/31/63/34/569316334.db2.gz HMQTVATXHITJJP-UHFFFAOYSA-N 0 0 437.905 3.596 40 5 IHBBRN COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1OC ZINC000019631102 569324149 /nfs/dbraw/zinc/32/41/49/569324149.db2.gz NTLPFNURKOHOOB-UHFFFAOYSA-N 0 0 440.275 3.501 40 5 IHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(NC(C)=O)c1 ZINC000019929447 569332012 /nfs/dbraw/zinc/33/20/12/569332012.db2.gz FUIDHFXYEKIVMB-UHFFFAOYSA-N 0 0 440.485 3.562 40 5 IHBBRN COC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000020412336 569363873 /nfs/dbraw/zinc/36/38/73/569363873.db2.gz FKNBHHQTHMVSJH-UHFFFAOYSA-N 0 0 426.454 3.844 40 5 IHBBRN O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000020765766 569374972 /nfs/dbraw/zinc/37/49/72/569374972.db2.gz APEIIHPJALHMMH-UHFFFAOYSA-N 0 0 437.477 3.989 40 5 IHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225573491 569404735 /nfs/dbraw/zinc/40/47/35/569404735.db2.gz GAVJSMGPNVAXEF-DEOSSOPVSA-N 0 0 445.519 3.832 40 5 IHBBRN CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225659313 569406411 /nfs/dbraw/zinc/40/64/11/569406411.db2.gz SSQQZKUMXNGEBA-INIZCTEOSA-N 0 0 431.920 3.980 40 5 IHBBRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000032125168 569460379 /nfs/dbraw/zinc/46/03/79/569460379.db2.gz QKKJIDUPGFUNLA-UHFFFAOYSA-N 0 0 430.892 3.805 40 5 IHBBRN CCOc1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1[N+](=O)[O-] ZINC000032127103 569460390 /nfs/dbraw/zinc/46/03/90/569460390.db2.gz XPUQSTMEIUJRII-UHFFFAOYSA-N 0 0 428.470 3.692 40 5 IHBBRN Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1[N+](=O)[O-] ZINC000008642088 569469569 /nfs/dbraw/zinc/46/95/69/569469569.db2.gz ICPSGCKHKCBCJP-UHFFFAOYSA-N 0 0 444.538 3.821 40 5 IHBBRN CCCCN1C(=O)[C@H]2[C@H](ON(c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O ZINC000008741647 569472868 /nfs/dbraw/zinc/47/28/68/569472868.db2.gz JPFAGBAZQUWDQJ-QRVBRYPASA-N 0 0 429.860 3.895 40 5 IHBBRN CCOc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000020610325 520840958 /nfs/dbraw/zinc/84/09/58/520840958.db2.gz QATNOMDZWNYGKK-UHFFFAOYSA-N 0 0 433.424 3.745 40 5 IHBBRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611754 521839469 /nfs/dbraw/zinc/83/94/69/521839469.db2.gz OVTNRIYBGSFIOG-UHFFFAOYSA-N 0 0 426.256 3.999 40 5 IHBBRN Cc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1C ZINC000016311935 526143747 /nfs/dbraw/zinc/14/37/47/526143747.db2.gz FMSYIUJASYTTGQ-UHFFFAOYSA-N 0 0 432.933 3.702 40 5 IHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000408690143 556090412 /nfs/dbraw/zinc/09/04/12/556090412.db2.gz ZTYUNLMPOLSLKE-RTBURBONSA-N 0 0 439.855 3.757 40 5 IHBBRN O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408656595 556613650 /nfs/dbraw/zinc/61/36/50/556613650.db2.gz FUWLPAHJWZCTEP-UHFFFAOYSA-N 0 0 440.239 3.802 40 5 IHBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1Cl ZINC000408658439 556613951 /nfs/dbraw/zinc/61/39/51/556613951.db2.gz VAMKJEPYOKXBBL-LLVKDONJSA-N 0 0 437.235 3.681 40 5 IHBBRN Cc1cccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000408677341 556615113 /nfs/dbraw/zinc/61/51/13/556615113.db2.gz BXMZMVFGLZHJQP-UHFFFAOYSA-N 0 0 425.894 3.742 40 5 IHBBRN Cc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 ZINC000408694378 556615716 /nfs/dbraw/zinc/61/57/16/556615716.db2.gz FCJMAZFTSXFQMG-UHFFFAOYSA-N 0 0 425.894 3.742 40 5 IHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408687566 556616332 /nfs/dbraw/zinc/61/63/32/556616332.db2.gz UQHIYFSOBYEOAN-CALCHBBNSA-N 0 0 441.871 3.981 40 5 IHBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000408688393 556616872 /nfs/dbraw/zinc/61/68/72/556616872.db2.gz WEYNGCBSKYZGEP-HDICACEKSA-N 0 0 439.855 3.757 40 5 IHBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408685730 556617196 /nfs/dbraw/zinc/61/71/96/556617196.db2.gz QEGOTGBRWRYOIB-RBUKOAKNSA-N 0 0 437.427 3.633 40 5 IHBBRN CCNC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408736373 556619407 /nfs/dbraw/zinc/61/94/07/556619407.db2.gz BFZUQJJQFVJZFI-JOCHJYFZSA-N 0 0 431.492 3.590 40 5 IHBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000100562484 556620091 /nfs/dbraw/zinc/62/00/91/556620091.db2.gz JZKWMYLBDZSCOC-BDTNDASRSA-N 0 0 429.432 3.642 40 5 IHBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000409178590 556633073 /nfs/dbraw/zinc/63/30/73/556633073.db2.gz 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40 5 IHBBRN Cc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)cc1 ZINC000001363185 556789009 /nfs/dbraw/zinc/78/90/09/556789009.db2.gz ZVBZLKSHXHNZCK-INIZCTEOSA-N 0 0 428.470 3.522 40 5 IHBBRN O=c1n(Cc2ccccc2F)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1Cc1ccccc1F ZINC000408974349 556905216 /nfs/dbraw/zinc/90/52/16/556905216.db2.gz FGBAJOVNQPEESP-UHFFFAOYSA-N 0 0 440.362 3.994 40 5 IHBBRN CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409232176 557024099 /nfs/dbraw/zinc/02/40/99/557024099.db2.gz OIWYDFQUMVDONT-CXUHLZMHSA-N 0 0 431.832 3.748 40 5 IHBBRN Cc1c(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000409265101 557038865 /nfs/dbraw/zinc/03/88/65/557038865.db2.gz SGQINKVZRKQFPQ-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013981735 557189249 /nfs/dbraw/zinc/18/92/49/557189249.db2.gz BFXOFCINYFOOMY-UHFFFAOYSA-N 0 0 442.409 3.556 40 5 IHBBRN 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/nfs/dbraw/zinc/30/70/26/569307026.db2.gz OUWJFYDMEGYSOU-XLIONFOSSA-N 0 0 447.557 3.942 40 5 IHBBRN CC[C@@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260922468 569312483 /nfs/dbraw/zinc/31/24/83/569312483.db2.gz GTDZHQAEWXZFLE-UTKZUKDTSA-N 0 0 447.557 3.942 40 5 IHBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1 ZINC000260926967 569312528 /nfs/dbraw/zinc/31/25/28/569312528.db2.gz XFFRQQOMRJNGIN-STZQEDGTSA-N 0 0 449.536 3.932 40 5 IHBBRN COc1ccc(-c2cc(-c3nnc4n3N=C(c3ccc([N+](=O)[O-])cc3)CS4)[nH]n2)cc1 ZINC000070503656 569312885 /nfs/dbraw/zinc/31/28/85/569312885.db2.gz SLWWJYQCSACMTR-UHFFFAOYSA-N 0 0 433.453 3.610 40 5 IHBBRN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000019162881 569316319 /nfs/dbraw/zinc/31/63/19/569316319.db2.gz XSBWCBAJIIJPBG-UHFFFAOYSA-N 0 0 437.905 3.984 40 5 IHBBRN O=C(NC1CCCCC1)c1cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2oc1=O ZINC000002887474 569424181 /nfs/dbraw/zinc/42/41/81/569424181.db2.gz OKVBKADULDBNGG-UHFFFAOYSA-N 0 0 436.420 3.983 40 5 IHBBRN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1[N+](=O)[O-] ZINC000057316844 569430805 /nfs/dbraw/zinc/43/08/05/569430805.db2.gz QBTUPHKUGDMRHY-UHFFFAOYSA-N 0 0 440.500 3.550 40 5 IHBBRN Cc1cc(C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)ccc1[N+](=O)[O-] ZINC000218134124 569456495 /nfs/dbraw/zinc/45/64/95/569456495.db2.gz ADGIHDXYOTYEGQ-UHFFFAOYSA-N 0 0 431.246 3.988 40 5 IHBBRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000218381815 569457247 /nfs/dbraw/zinc/45/72/47/569457247.db2.gz RHNOFPQPPYQWRU-JTQLQIEISA-N 0 0 432.285 3.695 40 5 IHBBRN CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccnc2)n1 ZINC000329046115 569583333 /nfs/dbraw/zinc/58/33/33/569583333.db2.gz UAEVAAQVWXOIKC-QGZVFWFLSA-N 0 0 428.880 4.273 40 5 IHBBRN O=[N+]([O-])c1ccc(N2CCN([C@@H](c3nnnn3C3CCCCC3)c3ccccc3)CC2)cc1 ZINC000013503722 132347291 /nfs/dbraw/zinc/34/72/91/132347291.db2.gz PAIJYIYJVDTXOF-HSZRJFAPSA-N 0 0 447.543 3.998 40 5 IHBBRN C[C@H]1CC[C@H]2[C@@](C)(O)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@]54C)[C@@H]3C[N@+]2([O-])C1 ZINC000252694913 524427168 /nfs/dbraw/zinc/42/71/68/524427168.db2.gz RTQDXHMAHWNJLQ-XDQGMKDOSA-N 0 0 445.644 3.899 40 5 biogenic IHBBRN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000016269500 526155015 /nfs/dbraw/zinc/15/50/15/526155015.db2.gz ZPNUPPSUEYAZRC-UHFFFAOYSA-N 0 0 438.303 3.866 40 5 IHBBRN O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)Nc1cccc([N+](=O)[O-])c1 ZINC000022389995 526704580 /nfs/dbraw/zinc/70/45/80/526704580.db2.gz TXGFZMMRAYFVAO-UHFFFAOYSA-N 0 0 435.458 3.629 40 5 IHBBRN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000012491748 527081670 /nfs/dbraw/zinc/08/16/70/527081670.db2.gz XYEDPFBTAIIIOP-UHFFFAOYSA-N 0 0 436.453 3.620 40 5 IHBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 ZINC000016398791 527458272 /nfs/dbraw/zinc/45/82/72/527458272.db2.gz UIGDTMHVKYVVME-UHFFFAOYSA-N 0 0 439.324 3.739 40 5 IHBBRN O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000004489320 556333958 /nfs/dbraw/zinc/33/39/58/556333958.db2.gz VSCGNUWNCHOJSD-UHFFFAOYSA-N 0 0 448.405 3.634 40 5 IHBBRN O=c1nc2n(c3[nH]ncc31)[C@H](c1ccccc1)[C@H](Sc1ccc([N+](=O)[O-])cc1)CS2 ZINC000032594523 556406650 /nfs/dbraw/zinc/40/66/50/556406650.db2.gz BLPPGPYKUIPODE-IAGOWNOFSA-N 0 0 437.506 3.884 40 5 IHBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc4ccccc43)CC2=O)cc1[N+](=O)[O-] ZINC000408670991 556615147 /nfs/dbraw/zinc/61/51/47/556615147.db2.gz RFUARSBZWNGHKG-KRWDZBQOSA-N 0 0 447.447 3.591 40 5 IHBBRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000408695633 556615737 /nfs/dbraw/zinc/61/57/37/556615737.db2.gz SILZXLYZCDJCHN-UHFFFAOYSA-N 0 0 449.554 3.665 40 5 IHBBRN O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408683487 556616286 /nfs/dbraw/zinc/61/62/86/556616286.db2.gz LKBFBSMQOVEXLA-HOTGVXAUSA-N 0 0 441.871 3.981 40 5 IHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408686235 556616289 /nfs/dbraw/zinc/61/62/89/556616289.db2.gz RBCGEDBFAGWRJP-IYBDPMFKSA-N 0 0 441.871 3.981 40 5 IHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408686234 556616684 /nfs/dbraw/zinc/61/66/84/556616684.db2.gz RBCGEDBFAGWRJP-HZPDHXFCSA-N 0 0 441.871 3.981 40 5 IHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408687568 556616874 /nfs/dbraw/zinc/61/68/74/556616874.db2.gz UQHIYFSOBYEOAN-IAGOWNOFSA-N 0 0 441.871 3.981 40 5 IHBBRN CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000408719113 556617750 /nfs/dbraw/zinc/61/77/50/556617750.db2.gz DXOQSZPZCHTBLV-SFHVURJKSA-N 0 0 427.438 3.678 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000408704335 556617970 /nfs/dbraw/zinc/61/79/70/556617970.db2.gz MGIMIOORAYKWGC-UHFFFAOYSA-N 0 0 425.466 3.984 40 5 IHBBRN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000408728445 556618214 /nfs/dbraw/zinc/61/82/14/556618214.db2.gz MNBQNXKSADPHCH-ZQFKLAOWSA-N 0 0 438.439 3.735 40 5 IHBBRN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1 ZINC000409163486 556632282 /nfs/dbraw/zinc/63/22/82/556632282.db2.gz SFGBDFGWOGCGTQ-UHFFFAOYSA-N 0 0 443.485 3.621 40 5 IHBBRN O=C(CN1C(=O)c2ccccc2C1=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409178883 556633076 /nfs/dbraw/zinc/63/30/76/556633076.db2.gz ONSYHYJPIFQUGJ-UHFFFAOYSA-N 0 0 432.388 3.727 40 5 IHBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409195094 556633620 /nfs/dbraw/zinc/63/36/20/556633620.db2.gz PCYVRPLQTURSDS-ATVHPVEESA-N 0 0 446.419 3.884 40 5 IHBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000409234873 556635787 /nfs/dbraw/zinc/63/57/87/556635787.db2.gz NNSULZHLRCWCNR-MTEHDHEFSA-N 0 0 439.449 3.835 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 ZINC000409310348 556636684 /nfs/dbraw/zinc/63/66/84/556636684.db2.gz AMBLHGZOWGQXAR-UHFFFAOYSA-N 0 0 425.466 3.981 40 5 IHBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1 ZINC000409356129 556637785 /nfs/dbraw/zinc/63/77/85/556637785.db2.gz FMVQHXPLDSDIRL-GIJQJNRQSA-N 0 0 428.422 3.531 40 5 IHBBRN CCSc1n[nH]c(-n2ccc3nc4ccn(C5CCCCCC5)c(=O)c4cc3c2=O)n1 ZINC000040398908 556640861 /nfs/dbraw/zinc/64/08/61/556640861.db2.gz HWFCHVXWPKVXPJ-UHFFFAOYSA-N 0 0 436.541 3.826 40 5 IHBBRN O=C1[C@@H]2[C@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013787188 556732113 /nfs/dbraw/zinc/73/21/13/556732113.db2.gz UGOQNYOQKXHMQB-FSSWDIPSSA-N 0 0 429.432 3.642 40 5 IHBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000013803563 556743071 /nfs/dbraw/zinc/74/30/71/556743071.db2.gz QYGAIPNYDYKXHJ-FKBYEOEOSA-N 0 0 429.432 3.954 40 5 IHBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1[N+](=O)[O-] ZINC000409165129 556982029 /nfs/dbraw/zinc/98/20/29/556982029.db2.gz SYALGBKXHKTFSK-LICLKQGHSA-N 0 0 427.438 3.587 40 5 IHBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1 ZINC000409181246 556989366 /nfs/dbraw/zinc/98/93/66/556989366.db2.gz AFGSWJBERZUREM-UHFFFAOYSA-N 0 0 426.135 3.531 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O ZINC000409239105 557020318 /nfs/dbraw/zinc/02/03/18/557020318.db2.gz GJGCMRSUGGMITF-CXUHLZMHSA-N 0 0 447.856 3.932 40 5 IHBBRN CCc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 ZINC000220280912 557037457 /nfs/dbraw/zinc/03/74/57/557037457.db2.gz HUISIFLELRIPDD-LBPRGKRZSA-N 0 0 425.894 3.604 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000409410806 557103790 /nfs/dbraw/zinc/10/37/90/557103790.db2.gz QHNGTHZSNHEBCI-UHFFFAOYSA-N 0 0 443.456 3.876 40 5 IHBBRN Cc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl ZINC000220363819 557121235 /nfs/dbraw/zinc/12/12/35/557121235.db2.gz ZWVDOCBRZIPLBZ-CYBMUJFWSA-N 0 0 425.894 3.658 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1cccc(Cl)c1C)S(C)(=O)=O ZINC000220385721 557134291 /nfs/dbraw/zinc/13/42/91/557134291.db2.gz IZMXHPNXVYYIFG-CYBMUJFWSA-N 0 0 425.894 3.658 40 5 IHBBRN Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 ZINC000220396239 557135887 /nfs/dbraw/zinc/13/58/87/557135887.db2.gz RRPANXKMAIWSCC-IRXDYDNUSA-N 0 0 433.530 3.552 40 5 IHBBRN Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1Cl ZINC000218270635 557186652 /nfs/dbraw/zinc/18/66/52/557186652.db2.gz LOZOWRHFZXOEOF-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000100963482 557208165 /nfs/dbraw/zinc/20/81/65/557208165.db2.gz SJZVHCSHLUOAHU-FKBYEOEOSA-N 0 0 445.431 3.655 40 5 IHBBRN O=C1[C@@H]2[C@H](c3ccccc3[N+](=O)[O-])N(c3ccccc3)O[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101238004 557263811 /nfs/dbraw/zinc/26/38/11/557263811.db2.gz VUKMGDAVKDJOAH-FSSWDIPSSA-N 0 0 429.432 3.642 40 5 IHBBRN C[C@@H]1CC[C@H]2[C@@](C)(O)[C@@H]3CC[C@H]4[C@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N+]2([O-])C1 ZINC000103632983 557317386 /nfs/dbraw/zinc/31/73/86/557317386.db2.gz ZSDBUJBJWGVNKA-XQXYXDEQSA-N 0 0 446.652 3.790 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014269577 557332698 /nfs/dbraw/zinc/33/26/98/557332698.db2.gz FHBAIFSHUNNLJS-UHFFFAOYSA-N 0 0 443.485 3.929 40 5 IHBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220513612 557350498 /nfs/dbraw/zinc/35/04/98/557350498.db2.gz QPGAKJZUWVRSET-KRWDZBQOSA-N 0 0 425.894 3.740 40 5 IHBBRN C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013614647 557377420 /nfs/dbraw/zinc/37/74/20/557377420.db2.gz HKSHRQWKMJNVJL-KRWDZBQOSA-N 0 0 439.493 3.668 40 5 IHBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1 ZINC000408550298 557415903 /nfs/dbraw/zinc/41/59/03/557415903.db2.gz CLLGVXMLMJPKES-UHFFFAOYSA-N 0 0 427.438 3.657 40 5 IHBBRN CN1C[C@H](c2ccc(OCc3cccc(F)c3)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566368 557417343 /nfs/dbraw/zinc/41/73/43/557417343.db2.gz NRRFMMNDTYKTEA-XRODADMRSA-N 0 0 447.466 3.927 40 5 IHBBRN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565369 557417408 /nfs/dbraw/zinc/41/74/08/557417408.db2.gz JZEOZYJXRGHPOL-PBXXJUDPSA-N 0 0 447.466 3.927 40 5 IHBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC000408569079 557418579 /nfs/dbraw/zinc/41/85/79/557418579.db2.gz IRJTYYZEPBNGHI-IBGZPJMESA-N 0 0 428.470 3.813 40 5 IHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408576908 557420061 /nfs/dbraw/zinc/42/00/61/557420061.db2.gz YTEKWDHBIPXXGV-UHFFFAOYSA-N 0 0 425.485 3.857 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000408614193 557422170 /nfs/dbraw/zinc/42/21/70/557422170.db2.gz ZOYIAQHIUMCHEP-UHFFFAOYSA-N 0 0 446.312 3.610 40 5 IHBBRN COc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OC ZINC000408620965 557422217 /nfs/dbraw/zinc/42/22/17/557422217.db2.gz NEACYTRDWFNSER-UHFFFAOYSA-N 0 0 442.209 3.777 40 5 IHBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Cl)cc1Cl ZINC000408638238 557423877 /nfs/dbraw/zinc/42/38/77/557423877.db2.gz QBAAGDISLWIHKO-NSHDSACASA-N 0 0 437.235 3.681 40 5 IHBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)N1CCCCC1 ZINC000106758614 557532163 /nfs/dbraw/zinc/53/21/63/557532163.db2.gz CLXXPAZYVWROOE-PDGQHHTCSA-N 0 0 441.465 3.904 40 5 IHBBRN COc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000106782085 557532358 /nfs/dbraw/zinc/53/23/58/557532358.db2.gz SAGAHYGEZZGHRZ-BOPFTXTBSA-N 0 0 430.438 3.733 40 5 IHBBRN CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c1[O-] ZINC000106766821 557532427 /nfs/dbraw/zinc/53/24/27/557532427.db2.gz SXUKKVNRMYNBRN-BOPFTXTBSA-N 0 0 430.438 3.814 40 5 IHBBRN Cc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C)cc1[N+](=O)[O-] ZINC000000874002 557840984 /nfs/dbraw/zinc/84/09/84/557840984.db2.gz IBTDACCIRKPFRA-UHFFFAOYSA-N 0 0 430.465 3.514 40 5 IHBBRN CCc1cccc(CC)c1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222363372 568638342 /nfs/dbraw/zinc/63/83/42/568638342.db2.gz VHCKTDPCKQKMIJ-UHFFFAOYSA-N 0 0 433.530 3.905 40 5 IHBBRN Cc1ccc([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000222377998 568639605 /nfs/dbraw/zinc/63/96/05/568639605.db2.gz HQNRVMZRVRJJPS-QGZVFWFLSA-N 0 0 433.530 3.635 40 5 IHBBRN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222506598 568649315 /nfs/dbraw/zinc/64/93/15/568649315.db2.gz ATTRLRNQOXYZBX-KRWDZBQOSA-N 0 0 443.884 3.879 40 5 IHBBRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222538384 568651643 /nfs/dbraw/zinc/65/16/43/568651643.db2.gz CBZYEYOFJKHKFV-AWEZNQCLSA-N 0 0 435.933 3.645 40 5 IHBBRN CC[C@@H](C(=O)NC1CCCCCCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222539578 568651987 /nfs/dbraw/zinc/65/19/87/568651987.db2.gz HERXELORNOLOTH-SFHVURJKSA-N 0 0 425.551 3.677 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000015271352 568752764 /nfs/dbraw/zinc/75/27/64/568752764.db2.gz HEYQLCXXJVKBBN-UHFFFAOYSA-N 0 0 445.428 3.796 40 5 IHBBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000223067104 568778794 /nfs/dbraw/zinc/77/87/94/568778794.db2.gz OLLOPNXNDYWBAI-SFTDATJTSA-N 0 0 437.525 3.790 40 5 IHBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223086195 568779265 /nfs/dbraw/zinc/77/92/65/568779265.db2.gz OSLMTKPPDUGCKG-XMMPIXPASA-N 0 0 445.519 3.914 40 5 IHBBRN CC[C@@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223483288 568848616 /nfs/dbraw/zinc/84/86/16/568848616.db2.gz GTDZHQAEWXZFLE-UWJYYQICSA-N 0 0 447.557 3.942 40 5 IHBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223880596 568878220 /nfs/dbraw/zinc/87/82/20/568878220.db2.gz ZIJBLWDKAAICKG-CYBMUJFWSA-N 0 0 438.311 3.998 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223920536 568879508 /nfs/dbraw/zinc/87/95/08/568879508.db2.gz DEMRCNMELOHVCH-UHFFFAOYSA-N 0 0 427.438 3.657 40 5 IHBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000138778664 569113413 /nfs/dbraw/zinc/11/34/13/569113413.db2.gz LTKWRWPYKKKUJT-ROUUACIJSA-N 0 0 441.871 3.981 40 5 IHBBRN O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)Nc1ccc([N+](=O)[O-])cc1 ZINC000138804419 569115064 /nfs/dbraw/zinc/11/50/64/569115064.db2.gz GPIVQUSWECVRIH-UHFFFAOYSA-N 0 0 440.239 3.802 40 5 IHBBRN CCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000017083384 569172284 /nfs/dbraw/zinc/17/22/84/569172284.db2.gz XGVLUFWTMXQEJW-LJQANCHMSA-N 0 0 433.258 3.575 40 5 IHBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1OC ZINC000215016740 569215166 /nfs/dbraw/zinc/21/51/66/569215166.db2.gz ZBVBEFHCQHGNKC-LICLKQGHSA-N 0 0 430.438 3.857 40 5 IHBBRN CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1cccc([N+](=O)[O-])c1)CCCC3 ZINC000028608049 569243279 /nfs/dbraw/zinc/24/32/79/569243279.db2.gz WXFYZYSBUYMGNX-UHFFFAOYSA-N 0 0 444.538 3.996 40 5 IHBBRN Cc1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000018152241 569285086 /nfs/dbraw/zinc/28/50/86/569285086.db2.gz FKUSPIUAIQCNHS-VABKMULXSA-N 0 0 443.459 3.950 40 5 IHBBRN O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000009064794 569293374 /nfs/dbraw/zinc/29/33/74/569293374.db2.gz DPMBGDMBESCCHU-UHFFFAOYSA-N 0 0 449.876 3.883 40 5 IHBBRN O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000009192037 569294295 /nfs/dbraw/zinc/29/42/95/569294295.db2.gz PPRKBCRKRWLLLW-QXUMQBBKSA-N 0 0 430.420 3.847 40 5 IHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000009532845 569297167 /nfs/dbraw/zinc/29/71/67/569297167.db2.gz KMMKONVKGBVRPI-UHFFFAOYSA-N 0 0 433.877 3.783 40 5 IHBBRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000010010464 569299043 /nfs/dbraw/zinc/29/90/43/569299043.db2.gz DMKYNCIYOHKSHF-CMDGGOBGSA-N 0 0 428.876 3.569 40 5 IHBBRN CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260511875 569307126 /nfs/dbraw/zinc/30/71/26/569307126.db2.gz SUHLOCIZTLDTMC-OXQOHEQNSA-N 0 0 433.530 3.634 40 5 IHBBRN O=[N+]([O-])c1ccc(N2CCN([C@H](c3cccs3)c3nnnn3C3CCCC3)CC2)cc1 ZINC000019343020 569318683 /nfs/dbraw/zinc/31/86/83/569318683.db2.gz PDDOMAIIKJICJH-HXUWFJFHSA-N 0 0 439.545 3.670 40 5 IHBBRN CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccc(NC(C)=O)c1 ZINC000019929455 569332049 /nfs/dbraw/zinc/33/20/49/569332049.db2.gz OIAADGDZOSVCIW-UHFFFAOYSA-N 0 0 440.485 3.562 40 5 IHBBRN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)cc1 ZINC000019929326 569332058 /nfs/dbraw/zinc/33/20/58/569332058.db2.gz DIZKYYZLFQENBG-UHFFFAOYSA-N 0 0 430.442 3.605 40 5 IHBBRN CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000021596140 569391898 /nfs/dbraw/zinc/39/18/98/569391898.db2.gz PWZNXSXSQNCVLU-UHFFFAOYSA-N 0 0 429.483 3.680 40 5 IHBBRN Cc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000022278845 569402669 /nfs/dbraw/zinc/40/26/69/569402669.db2.gz PUDLIMFLWNYGNE-UHFFFAOYSA-N 0 0 425.466 3.737 40 5 IHBBRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225575552 569404849 /nfs/dbraw/zinc/40/48/49/569404849.db2.gz IGULUUYKLJXBGI-MRXNPFEDSA-N 0 0 447.532 3.909 40 5 IHBBRN Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000057315916 569430765 /nfs/dbraw/zinc/43/07/65/569430765.db2.gz GDMTZGPJHFEOAU-UHFFFAOYSA-N 0 0 442.526 3.635 40 5 IHBBRN CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2c1 ZINC000008790476 569476020 /nfs/dbraw/zinc/47/60/20/569476020.db2.gz AGLICDOOGDOYDC-UHFFFAOYSA-N 0 0 448.526 3.796 40 5 IHBBRN Cc1ccc(-c2csc(NC(=S)NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000032122968 569584079 /nfs/dbraw/zinc/58/40/79/569584079.db2.gz OOMZZXQARVADOL-UHFFFAOYSA-N 0 0 428.495 3.919 40 5 IHBBRN O=[N+]([O-])c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCO)n2)cc1 ZINC000329069052 569584222 /nfs/dbraw/zinc/58/42/22/569584222.db2.gz YULGPGZZXSRSFX-UHFFFAOYSA-N 0 0 435.362 4.098 40 5 IHBBRN CCCCN1c2nc3ccccc3n2[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)OCC)C1=O ZINC000020638236 520600541 /nfs/dbraw/zinc/60/05/41/520600541.db2.gz RGAYYSIJPFOEBF-UXHICEINSA-N 0 0 436.468 3.860 40 5 IHBBRN CCCc1nnc2sc(-c3cccc(NC(=O)COc4ccccc4[N+](=O)[O-])c3)nn12 ZINC000020609704 521574456 /nfs/dbraw/zinc/57/44/56/521574456.db2.gz VGFJQZYFDZBWSI-UHFFFAOYSA-N 0 0 438.469 3.731 40 5 IHBBRN CCCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257418 521693265 /nfs/dbraw/zinc/69/32/65/521693265.db2.gz VIGQJENJHORBJB-UHFFFAOYSA-N 0 0 440.456 3.779 40 5 IHBBRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc1 ZINC000022258856 525535315 /nfs/dbraw/zinc/53/53/15/525535315.db2.gz LLFFIBCXBZSAGV-AWEZNQCLSA-N 0 0 437.905 3.596 40 5 IHBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611883 526956278 /nfs/dbraw/zinc/95/62/78/526956278.db2.gz VAOVKARGRHJIQW-UHFFFAOYSA-N 0 0 426.256 3.756 40 5 IHBBRN Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)c1 ZINC000408596483 555963254 /nfs/dbraw/zinc/96/32/54/555963254.db2.gz QALVNSGPDVGMNY-UHFFFAOYSA-N 0 0 441.513 3.958 40 5 IHBBRN CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000408719110 556142093 /nfs/dbraw/zinc/14/20/93/556142093.db2.gz DXOQSZPZCHTBLV-GOSISDBHSA-N 0 0 427.438 3.678 40 5 IHBBRN CC(=O)Nc1cccc(-c2nc(SCC(=O)c3cc([N+](=O)[O-])ccc3Cl)n[nH]2)c1 ZINC000408674740 556614526 /nfs/dbraw/zinc/61/45/26/556614526.db2.gz GVGRDAROXKPVLS-UHFFFAOYSA-N 0 0 431.861 3.967 40 5 IHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000408686570 556616097 /nfs/dbraw/zinc/61/60/97/556616097.db2.gz RXYGBPJGYBKVIA-QZTJIDSGSA-N 0 0 439.855 3.757 40 5 IHBBRN Cc1c(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000408694068 556616145 /nfs/dbraw/zinc/61/61/45/556616145.db2.gz AMKIETSWYCTDPW-UHFFFAOYSA-N 0 0 425.894 3.742 40 5 IHBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408686233 556616877 /nfs/dbraw/zinc/61/68/77/556616877.db2.gz RBCGEDBFAGWRJP-HOTGVXAUSA-N 0 0 441.871 3.981 40 5 IHBBRN O=C1[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)N(c3ccccc3)O[C@@H]2C(=O)N1Cc1ccccc1 ZINC000100562483 556620008 /nfs/dbraw/zinc/62/00/08/556620008.db2.gz JZKWMYLBDZSCOC-FSSWDIPSSA-N 0 0 429.432 3.642 40 5 IHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409137923 556630989 /nfs/dbraw/zinc/63/09/89/556630989.db2.gz XGSXUBPAQSKGMM-UHFFFAOYSA-N 0 0 442.457 3.821 40 5 IHBBRN CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409190297 556634078 /nfs/dbraw/zinc/63/40/78/556634078.db2.gz RRTDOBKDIIHESW-CXUHLZMHSA-N 0 0 431.832 3.748 40 5 IHBBRN CCOc1cc(/C=C2\SC(=O)N(CCOC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409212599 556634642 /nfs/dbraw/zinc/63/46/42/556634642.db2.gz QVUBFCCUVQMHBU-BOPFTXTBSA-N 0 0 445.453 3.864 40 5 IHBBRN O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1cccc(F)c1 ZINC000409235022 556635696 /nfs/dbraw/zinc/63/56/96/556635696.db2.gz AQPDIEPGFCNAQA-JOXYEXRGSA-N 0 0 427.413 3.965 40 5 IHBBRN COc1ccc(Cn2ccc3nc4ccn(Cc5ccccc5F)c(=O)c4cc3c2=O)cc1 ZINC000040398800 556640619 /nfs/dbraw/zinc/64/06/19/556640619.db2.gz IMFBPVXRWIDHIK-UHFFFAOYSA-N 0 0 441.462 3.956 40 5 IHBBRN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712593 556714853 /nfs/dbraw/zinc/71/48/53/556714853.db2.gz GPLGIVNPIDUUPJ-QGZVFWFLSA-N 0 0 425.894 3.740 40 5 IHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncnc3c(-c4ccccc4)nsc32)CC1 ZINC000001370667 556792698 /nfs/dbraw/zinc/79/26/98/556792698.db2.gz VWQRFVYOIJZIDO-UHFFFAOYSA-N 0 0 446.492 3.624 40 5 IHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409176119 556985726 /nfs/dbraw/zinc/98/57/26/556985726.db2.gz HUPLHIFFEIJUKS-UHFFFAOYSA-N 0 0 441.421 3.897 40 5 IHBBRN Cc1ccc(C(=O)COC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000409176756 556986271 /nfs/dbraw/zinc/98/62/71/556986271.db2.gz WSGISWKATPXJDP-UHFFFAOYSA-N 0 0 439.445 3.776 40 5 IHBBRN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000738377 557161273 /nfs/dbraw/zinc/16/12/73/557161273.db2.gz PQRMCTKNSZFJHY-UHFFFAOYSA-N 0 0 430.464 3.810 40 5 IHBBRN Cc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000022278848 557194802 /nfs/dbraw/zinc/19/48/02/557194802.db2.gz OQLPCXLNLHUZOO-UHFFFAOYSA-N 0 0 425.466 3.737 40 5 IHBBRN C[C@H]1CC[C@H]2[C@@](C)(O)[C@@H]3CC[C@H]4[C@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N+]2([O-])C1 ZINC000103632990 557317383 /nfs/dbraw/zinc/31/73/83/557317383.db2.gz ZSDBUJBJWGVNKA-YVEPUIJXSA-N 0 0 446.652 3.790 40 5 IHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014269581 557332401 /nfs/dbraw/zinc/33/24/01/557332401.db2.gz CXKNCZWBUQRXDB-UHFFFAOYSA-N 0 0 443.485 3.929 40 5 IHBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccccc1 ZINC000408550259 557416114 /nfs/dbraw/zinc/41/61/14/557416114.db2.gz CBPBVXFNRWRLJN-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN COc1ccc(Cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 ZINC000014091626 557419129 /nfs/dbraw/zinc/41/91/29/557419129.db2.gz QKSVJUIUEZQNOO-UHFFFAOYSA-N 0 0 447.904 3.707 40 5 IHBBRN CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408637917 557423629 /nfs/dbraw/zinc/42/36/29/557423629.db2.gz AVFWPXVAPANYFK-CYBMUJFWSA-N 0 0 432.274 3.911 40 5 IHBBRN 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CC[C@H](C(=O)N[C@@H](C)c1ccc(C)c(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222543217 568652144 /nfs/dbraw/zinc/65/21/44/568652144.db2.gz OUWJFYDMEGYSOU-FXAWDEMLSA-N 0 0 447.557 3.942 40 5 IHBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222567988 568653116 /nfs/dbraw/zinc/65/31/16/568653116.db2.gz STONGXNCYVAUEW-NQIIRXRSSA-N 0 0 425.529 3.902 40 5 IHBBRN CCc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 ZINC000222646137 568656288 /nfs/dbraw/zinc/65/62/88/568656288.db2.gz VJLOOOZMMJTNOR-UHFFFAOYSA-N 0 0 439.921 3.996 40 5 IHBBRN COc1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1Br ZINC000016227695 568873821 /nfs/dbraw/zinc/87/38/21/568873821.db2.gz UQCJSMNRRSTLCF-UHFFFAOYSA-N 0 0 440.275 3.501 40 5 IHBBRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223923851 568879635 /nfs/dbraw/zinc/87/96/35/568879635.db2.gz CNKFOPCBJRVHKR-ZDUSSCGKSA-N 0 0 438.311 3.998 40 5 IHBBRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016574942 568921403 /nfs/dbraw/zinc/92/14/03/568921403.db2.gz IITWYNXQFLNIRU-UHFFFAOYSA-N 0 0 430.892 3.805 40 5 IHBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000138645340 569093492 /nfs/dbraw/zinc/09/34/92/569093492.db2.gz QVONSIBMWGITTN-KDURUIRLSA-N 0 0 441.871 3.981 40 5 IHBBRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2c1 ZINC000017096473 569172964 /nfs/dbraw/zinc/17/29/64/569172964.db2.gz JNQLOLAHHMDRPN-UHFFFAOYSA-N 0 0 429.483 3.598 40 5 IHBBRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224633177 569177079 /nfs/dbraw/zinc/17/70/79/569177079.db2.gz SOPZHQNWMHEUSW-KRWDZBQOSA-N 0 0 429.542 3.772 40 5 IHBBRN CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224943604 569196537 /nfs/dbraw/zinc/19/65/37/569196537.db2.gz ATNZGFWUKYLLQH-NRFANRHFSA-N 0 0 425.529 3.759 40 5 IHBBRN CCOC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225011311 569213403 /nfs/dbraw/zinc/21/34/03/569213403.db2.gz REITVIIUGLRQHP-UHFFFAOYSA-N 0 0 433.269 3.660 40 5 IHBBRN CCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225036807 569213511 /nfs/dbraw/zinc/21/35/11/569213511.db2.gz PEOLHPQVCBFRJV-UHFFFAOYSA-N 0 0 433.269 3.660 40 5 IHBBRN Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 ZINC000033704367 569245877 /nfs/dbraw/zinc/24/58/77/569245877.db2.gz UDTLGFQZIJBMSH-UHFFFAOYSA-N 0 0 438.528 3.621 40 5 IHBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)c(C)c1 ZINC000108262694 569252849 /nfs/dbraw/zinc/25/28/49/569252849.db2.gz SJDGPKJGVQTBOQ-UHFFFAOYSA-N 0 0 441.513 3.958 40 5 IHBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000018152240 569284971 /nfs/dbraw/zinc/28/49/71/569284971.db2.gz FKUSPIUAIQCNHS-VJBWXMMDSA-N 0 0 443.459 3.950 40 5 IHBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1cccc(C)c1 ZINC000008877143 569291878 /nfs/dbraw/zinc/29/18/78/569291878.db2.gz BDVKOGBEUTYLMT-UHFFFAOYSA-N 0 0 427.486 3.921 40 5 IHBBRN Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009059447 569293275 /nfs/dbraw/zinc/29/32/75/569293275.db2.gz XZLPNYBYOKTEAM-UHFFFAOYSA-N 0 0 433.877 3.687 40 5 IHBBRN CCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113883160 569297009 /nfs/dbraw/zinc/29/70/09/569297009.db2.gz WHHMURSYFSGXRV-UHFFFAOYSA-N 0 0 433.269 3.660 40 5 IHBBRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225454523 569302120 /nfs/dbraw/zinc/30/21/20/569302120.db2.gz NUUHBDXVNHPERR-KRWDZBQOSA-N 0 0 429.542 3.770 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@H](CC(C)C)c1ccccc1)S(C)(=O)=O ZINC000260593146 569308799 /nfs/dbraw/zinc/30/87/99/569308799.db2.gz XHBUANQINCMHSV-FXAWDEMLSA-N 0 0 447.557 3.961 40 5 IHBBRN CNc1nc(Nc2ccc(OC)cc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329007215 569321847 /nfs/dbraw/zinc/32/18/47/569321847.db2.gz LIZTVZUGQHZKIS-UHFFFAOYSA-N 0 0 435.362 3.588 40 5 IHBBRN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000019927874 569332052 /nfs/dbraw/zinc/33/20/52/569332052.db2.gz HFDQOZCTTRVBMF-UHFFFAOYSA-N 0 0 434.275 3.873 40 5 IHBBRN COc1ccccc1OCc1nnc(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])o1 ZINC000019928499 569332059 /nfs/dbraw/zinc/33/20/59/569332059.db2.gz MACNSCSHYRSMTB-UHFFFAOYSA-N 0 0 444.469 3.913 40 5 IHBBRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000020412544 569363787 /nfs/dbraw/zinc/36/37/87/569363787.db2.gz ZUUZXFCCILVVNM-UHFFFAOYSA-N 0 0 430.892 3.805 40 5 IHBBRN CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)cc2s1 ZINC000057315676 569430622 /nfs/dbraw/zinc/43/06/22/569430622.db2.gz KMUFAZRFVFYULF-UHFFFAOYSA-N 0 0 443.510 3.988 40 5 IHBBRN CCCn1c2nnc(SCCOc3cccc([N+](=O)[O-])c3)n2c2ccccc2c1=O ZINC000040122984 569489425 /nfs/dbraw/zinc/48/94/25/569489425.db2.gz GLZQQEZOGYOFIO-UHFFFAOYSA-N 0 0 425.470 3.534 40 5 IHBBRN C[C@H](CO)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329047696 569582989 /nfs/dbraw/zinc/58/29/89/569582989.db2.gz UGPBXANXHWGRTR-GFCCVEGCSA-N 0 0 449.389 4.487 40 5 IHBBRN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2nsnc2c1 ZINC000057313964 569583583 /nfs/dbraw/zinc/58/35/83/569583583.db2.gz ZZQWJNLMJRSNFW-UHFFFAOYSA-N 0 0 442.507 3.850 40 5 IHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2cc3c(cc2cc1C)OCCO3 ZINC000006195091 193890689 /nfs/dbraw/zinc/89/06/89/193890689.db2.gz ZXOHDMFHDOECSH-UHFFFAOYSA-N 0 0 441.465 3.962 40 5 IHBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223320284 193966454 /nfs/dbraw/zinc/96/64/54/193966454.db2.gz XRYVWVRGNHPBNC-BWAGFHJFSA-N 0 0 449.536 3.932 40 5 IHBBRN COc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000020611309 523347854 /nfs/dbraw/zinc/34/78/54/523347854.db2.gz BARDSBSJEQTQPZ-UHFFFAOYSA-N 0 0 433.424 3.663 40 5 IHBBRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)Nc1cccc([N+](=O)[O-])c1 ZINC000022389999 526703703 /nfs/dbraw/zinc/70/37/03/526703703.db2.gz AVQLQOWHSFVNGR-UHFFFAOYSA-N 0 0 435.458 3.629 40 5 IHBBRN C[C@@H](Oc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1)C(=O)NC1CCCCC1 ZINC000408595824 555962791 /nfs/dbraw/zinc/96/27/91/555962791.db2.gz UZYQOVHVTAPWFH-OAHLLOKOSA-N 0 0 447.513 3.612 40 5 IHBBRN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000408673549 556064845 /nfs/dbraw/zinc/06/48/45/556064845.db2.gz SVARSDJUIAYDLI-UHFFFAOYSA-N 0 0 434.832 3.792 40 5 IHBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408687648 556086613 /nfs/dbraw/zinc/08/66/13/556086613.db2.gz URWLJMYFNBTUIU-MDASCCDHSA-N 0 0 439.443 3.713 40 5 IHBBRN Cc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408654990 556613436 /nfs/dbraw/zinc/61/34/36/556613436.db2.gz RCANHVUJGWENBY-HIFRSBDPSA-N 0 0 430.844 3.724 40 5 IHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000408676200 556614914 /nfs/dbraw/zinc/61/49/14/556614914.db2.gz AKXUOMWMKJEZJK-ROUUACIJSA-N 0 0 439.855 3.757 40 5 IHBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408678162 556615151 /nfs/dbraw/zinc/61/51/51/556615151.db2.gz CQVGVGYLPXLYBX-KYJSFNMBSA-N 0 0 439.443 3.713 40 5 IHBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409181698 556634063 /nfs/dbraw/zinc/63/40/63/556634063.db2.gz FBTCNJJCOILJAG-UHFFFAOYSA-N 0 0 442.405 3.693 40 5 IHBBRN COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)n3C)oc21 ZINC000409345056 556637512 /nfs/dbraw/zinc/63/75/12/556637512.db2.gz JZFXBGYZOSCQTJ-UHFFFAOYSA-N 0 0 439.453 3.876 40 5 IHBBRN CCOc1c(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cccc1OC ZINC000409360536 556638097 /nfs/dbraw/zinc/63/80/97/556638097.db2.gz QAJSFNOARZAOPS-WOJGMQOQSA-N 0 0 442.449 3.921 40 5 IHBBRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409389012 556639072 /nfs/dbraw/zinc/63/90/72/556639072.db2.gz FZPGYMWXZDURQE-UHFFFAOYSA-N 0 0 445.428 3.552 40 5 IHBBRN CCSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCCC[C@H]5C)c(=O)c4cc3c2=O)n1 ZINC000040398912 556640825 /nfs/dbraw/zinc/64/08/25/556640825.db2.gz XSBUOHSWXCIWCK-FZKQIMNGSA-N 0 0 436.541 3.682 40 5 IHBBRN CCSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCCC[C@@H]5C)c(=O)c4cc3c2=O)n1 ZINC000040398910 556640867 /nfs/dbraw/zinc/64/08/67/556640867.db2.gz XSBUOHSWXCIWCK-SCLBCKFNSA-N 0 0 436.541 3.682 40 5 IHBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712605 556714770 /nfs/dbraw/zinc/71/47/70/556714770.db2.gz ZUSLCSLOHBFIIG-INIZCTEOSA-N 0 0 425.894 3.740 40 5 IHBBRN O=C1[C@@H]2[C@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000013768308 556730187 /nfs/dbraw/zinc/73/01/87/556730187.db2.gz TVNKGLFFGUBVSO-HKBOAZHASA-N 0 0 433.395 3.785 40 5 IHBBRN CCCOC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(C(=O)OC)ccc12 ZINC000096343686 556760439 /nfs/dbraw/zinc/76/04/39/556760439.db2.gz HMJAPXFNJDXAIF-UHFFFAOYSA-N 0 0 430.420 3.643 40 5 IHBBRN Cc1ccc(C2=N/C(=C\c3cccc(I)c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000013929801 556821594 /nfs/dbraw/zinc/82/15/94/556821594.db2.gz XJFMVWZICNEKBO-ZSOIEALJSA-N 0 0 434.189 3.852 40 5 IHBBRN CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O ZINC000409249560 557030246 /nfs/dbraw/zinc/03/02/46/557030246.db2.gz UTDWZIFDTRNURS-LDADJPATSA-N 0 0 425.441 3.875 40 5 IHBBRN Cc1ccc(NC(=O)COc2ccc(C=Cc3nc(O)c([N+](=O)[O-])c(O)n3)cc2)cc1C ZINC000409343807 557071140 /nfs/dbraw/zinc/07/11/40/557071140.db2.gz IJHMEYOCLSQCLF-UXBLZVDNSA-N 0 0 436.424 3.601 40 5 IHBBRN COc1cccc(/C=C2\SC(=O)N(C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409366370 557083871 /nfs/dbraw/zinc/08/38/71/557083871.db2.gz QUSIHQMCGSICPE-OVCLIPMQSA-N 0 0 431.382 3.970 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O ZINC000220390061 557135209 /nfs/dbraw/zinc/13/52/09/557135209.db2.gz PZJSSAQSOQJEQV-LBPRGKRZSA-N 0 0 445.419 3.715 40 5 IHBBRN CC[C@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000220423975 557154418 /nfs/dbraw/zinc/15/44/18/557154418.db2.gz RJTPYAWCGQUDKC-UZLBHIALSA-N 0 0 433.530 3.634 40 5 IHBBRN Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)O[C@@H]2C1=O ZINC000101038502 557214731 /nfs/dbraw/zinc/21/47/31/557214731.db2.gz GHOVMVSZIPSWNX-FSSWDIPSSA-N 0 0 429.432 3.954 40 5 IHBBRN CC[C@@H](NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000220397304 557294041 /nfs/dbraw/zinc/29/40/41/557294041.db2.gz KRKFPKHXTDGTCI-FXAWDEMLSA-N 0 0 447.557 3.942 40 5 IHBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)N1CCCC1 ZINC000205912451 557296475 /nfs/dbraw/zinc/29/64/75/557296475.db2.gz XGFOEUKXVNKUJB-GZTJUZNOSA-N 0 0 427.438 3.514 40 5 IHBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000014273523 557332738 /nfs/dbraw/zinc/33/27/38/557332738.db2.gz KKIXEGJJKBGBBQ-UHFFFAOYSA-N 0 0 446.891 3.568 40 5 IHBBRN CCOC(=O)COc1c(Br)cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OC ZINC000408542129 557415831 /nfs/dbraw/zinc/41/58/31/557415831.db2.gz HJKLNDFARXWZBO-AATRIKPKSA-N 0 0 441.234 3.775 40 5 IHBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC000408569080 557418071 /nfs/dbraw/zinc/41/80/71/557418071.db2.gz IRJTYYZEPBNGHI-LJQANCHMSA-N 0 0 428.470 3.813 40 5 IHBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(OC)c1OC ZINC000408570272 557418445 /nfs/dbraw/zinc/41/84/45/557418445.db2.gz KRKOLNURCVESLZ-GOSISDBHSA-N 0 0 448.476 3.851 40 5 IHBBRN CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408640497 557425544 /nfs/dbraw/zinc/42/55/44/557425544.db2.gz IZEDCYYULGNFIJ-QGZVFWFLSA-N 0 0 439.468 3.933 40 5 IHBBRN CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000014269907 557429207 /nfs/dbraw/zinc/42/92/07/557429207.db2.gz QWZQSBGXEBUAMK-UHFFFAOYSA-N 0 0 441.513 3.670 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C ZINC000000873998 557840981 /nfs/dbraw/zinc/84/09/81/557840981.db2.gz ASMCYWVYTGXTCH-UHFFFAOYSA-N 0 0 430.465 3.514 40 5 IHBBRN O=C(NC1CCCCC1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000015676026 560094660 /nfs/dbraw/zinc/09/46/60/560094660.db2.gz MFTRTVOFRGINMR-SFHVURJKSA-N 0 0 437.460 3.510 40 5 biogenic,in-vitro IHBBRN CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222532351 568651410 /nfs/dbraw/zinc/65/14/10/568651410.db2.gz IUODAHVBYDEHOV-MRXNPFEDSA-N 0 0 425.894 3.740 40 5 IHBBRN CC[C@@H](C(=O)NCCCc1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222540972 568652040 /nfs/dbraw/zinc/65/20/40/568652040.db2.gz KPFTVVHFLGWFSP-FQEVSTJZSA-N 0 0 447.557 3.505 40 5 IHBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222968562 568760591 /nfs/dbraw/zinc/76/05/91/568760591.db2.gz JGMNCGQYZONEFR-HXUWFJFHSA-N 0 0 429.542 3.690 40 5 IHBBRN CCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1[N+](=O)[O-] ZINC000032112024 568781259 /nfs/dbraw/zinc/78/12/59/568781259.db2.gz HUZBMRJVPYPLHA-UHFFFAOYSA-N 0 0 430.486 3.715 40 5 IHBBRN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000223265678 568790599 /nfs/dbraw/zinc/79/05/99/568790599.db2.gz CDEWIYMQCJYYSG-UHFFFAOYSA-N 0 0 437.477 3.907 40 5 IHBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223286975 568793366 /nfs/dbraw/zinc/79/33/66/568793366.db2.gz JKFGUMPUSGZFRX-KRWDZBQOSA-N 0 0 438.311 3.998 40 5 IHBBRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223331221 568807237 /nfs/dbraw/zinc/80/72/37/568807237.db2.gz JATOWZWYZVRRRW-KRWDZBQOSA-N 0 0 438.311 3.998 40 5 IHBBRN Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C ZINC000223480514 568848729 /nfs/dbraw/zinc/84/87/29/568848729.db2.gz BYDKTCAVKHAQQK-QZTJIDSGSA-N 0 0 447.557 3.860 40 5 IHBBRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223550228 568866095 /nfs/dbraw/zinc/86/60/95/568866095.db2.gz DSCUKFYOGVDICB-KRWDZBQOSA-N 0 0 429.542 3.690 40 5 IHBBRN COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC2CCCC2)c1 ZINC000224016979 568880724 /nfs/dbraw/zinc/88/07/24/568880724.db2.gz NCFJXYPGPMNDQZ-QGZVFWFLSA-N 0 0 439.512 3.622 40 5 IHBBRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224095270 568905218 /nfs/dbraw/zinc/90/52/18/568905218.db2.gz SWIOHMRDGKMWLA-FQEVSTJZSA-N 0 0 429.542 3.772 40 5 IHBBRN Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000224119560 568905658 /nfs/dbraw/zinc/90/56/58/568905658.db2.gz ZBBXPVFPDPYRBO-UHFFFAOYSA-N 0 0 425.466 3.981 40 5 IHBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224210609 568916421 /nfs/dbraw/zinc/91/64/21/568916421.db2.gz SUZTXNOUAAUBJT-INIZCTEOSA-N 0 0 431.920 3.980 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000224411493 568924189 /nfs/dbraw/zinc/92/41/89/568924189.db2.gz ASQVWQHCNWPSMT-UHFFFAOYSA-N 0 0 439.493 3.976 40 5 IHBBRN CN(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224410099 568924260 /nfs/dbraw/zinc/92/42/60/568924260.db2.gz DMDHAFBOCCMYFP-UHFFFAOYSA-N 0 0 425.466 3.668 40 5 IHBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000138645427 569093486 /nfs/dbraw/zinc/09/34/86/569093486.db2.gz QVONSIBMWGITTN-OALUTQOASA-N 0 0 441.871 3.981 40 5 IHBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000138778559 569113409 /nfs/dbraw/zinc/11/34/09/569113409.db2.gz LTKWRWPYKKKUJT-HDICACEKSA-N 0 0 441.871 3.981 40 5 IHBBRN CC(C)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017095914 569172522 /nfs/dbraw/zinc/17/25/22/569172522.db2.gz AOLYYRBZYFKJHL-UHFFFAOYSA-N 0 0 428.514 3.682 40 5 IHBBRN O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000017098806 569173256 /nfs/dbraw/zinc/17/32/56/569173256.db2.gz GNYMRCBJUJNHCL-UHFFFAOYSA-N 0 0 434.477 3.903 40 5 IHBBRN Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000017101982 569173560 /nfs/dbraw/zinc/17/35/60/569173560.db2.gz HIIOGHFOPGIDGC-UHFFFAOYSA-N 0 0 438.362 3.793 40 5 IHBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224880315 569190332 /nfs/dbraw/zinc/19/03/32/569190332.db2.gz YQJAXLLMGGSXFM-OAQYLSRUSA-N 0 0 441.528 3.726 40 5 IHBBRN CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000224885216 569190399 /nfs/dbraw/zinc/19/03/99/569190399.db2.gz SFAKHRZKWVGIMD-UHFFFAOYSA-N 0 0 429.292 3.890 40 5 IHBBRN CCOC(=O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225041513 569214999 /nfs/dbraw/zinc/21/49/99/569214999.db2.gz FICCPHYEQGAWLB-UHFFFAOYSA-N 0 0 448.497 3.675 40 5 IHBBRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225041253 569215017 /nfs/dbraw/zinc/21/50/17/569215017.db2.gz JDEOOVQTFQNUAJ-SFHVURJKSA-N 0 0 443.569 3.814 40 5 IHBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccccc2O)c1 ZINC000009062400 569219655 /nfs/dbraw/zinc/21/96/55/569219655.db2.gz YSMRYMVRGBFESC-UHFFFAOYSA-N 0 0 445.391 3.855 40 5 IHBBRN Cc1ccc(C)c(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000010433820 569224205 /nfs/dbraw/zinc/22/42/05/569224205.db2.gz SGHRIUQNGRITMP-CYBMUJFWSA-N 0 0 425.894 3.658 40 5 IHBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCCCCC1 ZINC000015790846 569225649 /nfs/dbraw/zinc/22/56/49/569225649.db2.gz DNTFTRRXVGUCJX-UHFFFAOYSA-N 0 0 447.513 3.729 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000107806658 569251359 /nfs/dbraw/zinc/25/13/59/569251359.db2.gz HVXCFXCOAHRDLJ-JTQLQIEISA-N 0 0 432.285 3.516 40 5 IHBBRN O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCOCC3)cc2Br)c1 ZINC000108081318 569252314 /nfs/dbraw/zinc/25/23/14/569252314.db2.gz SRYYRRNPTNARGD-UHFFFAOYSA-N 0 0 437.315 3.944 40 5 IHBBRN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000009242610 569294691 /nfs/dbraw/zinc/29/46/91/569294691.db2.gz QZJPUMMCLCPFHZ-NHTMILBNSA-N 0 0 439.512 3.910 40 5 IHBBRN O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000009281405 569294961 /nfs/dbraw/zinc/29/49/61/569294961.db2.gz XLNWKKFDQFMZBT-FDCRZUCXSA-N 0 0 430.420 3.847 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000010334563 569299776 /nfs/dbraw/zinc/29/97/76/569299776.db2.gz QVKOJIBJHSAEAI-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN CC[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260504013 569306891 /nfs/dbraw/zinc/30/68/91/569306891.db2.gz BOMNQVPWNSRZCS-PMACEKPBSA-N 0 0 445.541 3.642 40 5 IHBBRN CCc1ccc([C@@H](C)NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000260740941 569310961 /nfs/dbraw/zinc/31/09/61/569310961.db2.gz BBKWIBIAVFVGFZ-UZLBHIALSA-N 0 0 447.557 3.888 40 5 IHBBRN CCc1ccc([C@@H](C)NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000260795988 569311381 /nfs/dbraw/zinc/31/13/81/569311381.db2.gz NWVUUGVSLVVTNN-QRWLVFNGSA-N 0 0 433.530 3.579 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000019159442 569316316 /nfs/dbraw/zinc/31/63/16/569316316.db2.gz QOXBKAMVVCSQQU-UHFFFAOYSA-N 0 0 441.465 3.681 40 5 IHBBRN CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cc(OC)cc(OC)c1 ZINC000019928854 569332005 /nfs/dbraw/zinc/33/20/05/569332005.db2.gz VWQPHEVDWKTHFH-UHFFFAOYSA-N 0 0 443.485 3.621 40 5 IHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2cc(C)cc(C)c2)o1 ZINC000019928333 569332034 /nfs/dbraw/zinc/33/20/34/569332034.db2.gz ZUVAYYXXBRBIGF-UHFFFAOYSA-N 0 0 444.469 3.913 40 5 IHBBRN CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)cc1 ZINC000019929227 569332043 /nfs/dbraw/zinc/33/20/43/569332043.db2.gz LIHKCDVXSNMVJR-UHFFFAOYSA-N 0 0 427.442 3.642 40 5 IHBBRN COc1cc(OC)cc(-c2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n[nH]2)c1 ZINC000019928950 569332105 /nfs/dbraw/zinc/33/21/05/569332105.db2.gz SZQHHDPPZXVGHO-UHFFFAOYSA-N 0 0 449.876 3.781 40 5 IHBBRN CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])o2)cc1 ZINC000019929221 569332165 /nfs/dbraw/zinc/33/21/65/569332165.db2.gz MHUOERJMZVJDFM-UHFFFAOYSA-N 0 0 441.469 3.951 40 5 IHBBRN CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000020039932 569332777 /nfs/dbraw/zinc/33/27/77/569332777.db2.gz HTCFKCBLLRVQPH-UHFFFAOYSA-N 0 0 431.514 3.581 40 5 IHBBRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1-c1ccc(CO)o1 ZINC000020142917 569335849 /nfs/dbraw/zinc/33/58/49/569335849.db2.gz DYESEFKUBHHVFP-UHFFFAOYSA-N 0 0 437.452 3.744 40 5 IHBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225752140 569408128 /nfs/dbraw/zinc/40/81/28/569408128.db2.gz HTKDZIRKRNLOHE-LAUBAEHRSA-N 0 0 441.528 3.868 40 5 IHBBRN Cc1c(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)cccc1[N+](=O)[O-] ZINC000057327947 569431131 /nfs/dbraw/zinc/43/11/31/569431131.db2.gz BPDUZBRCKGHUER-UHFFFAOYSA-N 0 0 447.476 3.911 40 5 IHBBRN O=C(Cc1cc(CC(=O)Nc2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1 ZINC000003845099 569456676 /nfs/dbraw/zinc/45/66/76/569456676.db2.gz DMRGNUJGINPNKJ-UHFFFAOYSA-N 0 0 434.408 3.865 40 5 IHBBRN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2c(c1)OCCO2 ZINC000008831133 569583590 /nfs/dbraw/zinc/58/35/90/569583590.db2.gz CLAADOMIYNZSQH-UHFFFAOYSA-N 0 0 442.478 3.616 40 5 IHBBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000020798607 520479385 /nfs/dbraw/zinc/47/93/85/520479385.db2.gz UNJBMBILCKQADY-LJQANCHMSA-N 0 0 437.452 3.732 40 5 IHBBRN COc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1Cl ZINC000020611720 521837285 /nfs/dbraw/zinc/83/72/85/521837285.db2.gz PWZIZFDEOYGGNS-UHFFFAOYSA-N 0 0 426.256 3.999 40 5 IHBBRN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)c1 ZINC000012173524 522839519 /nfs/dbraw/zinc/83/95/19/522839519.db2.gz VOFFOISKBOEBQH-UHFFFAOYSA-N 0 0 430.442 3.701 40 5 IHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000408690142 556090247 /nfs/dbraw/zinc/09/02/47/556090247.db2.gz ZTYUNLMPOLSLKE-OALUTQOASA-N 0 0 439.855 3.757 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408694939 556097199 /nfs/dbraw/zinc/09/71/99/556097199.db2.gz KMHYUHXCSHCQQN-UHFFFAOYSA-N 0 0 425.894 3.742 40 5 IHBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1NC(=O)c1ccccc1O ZINC000039768551 556437354 /nfs/dbraw/zinc/43/73/54/556437354.db2.gz NIMBVCGKNQANSA-UHFFFAOYSA-N 0 0 445.391 3.855 40 5 IHBBRN CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cc(OC)cc(OC)c1 ZINC000408675102 556614218 /nfs/dbraw/zinc/61/42/18/556614218.db2.gz RQQGRRVGEZZIBK-UHFFFAOYSA-N 0 0 428.470 3.865 40 5 IHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408688666 556616268 /nfs/dbraw/zinc/61/62/68/556616268.db2.gz WMISJYVUICPZGG-HDICACEKSA-N 0 0 441.871 3.981 40 5 IHBBRN COc1ccc(-c2nnc(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)cc1OC ZINC000408714058 556617753 /nfs/dbraw/zinc/61/77/53/556617753.db2.gz HMEOAYGGWZAVNI-UHFFFAOYSA-N 0 0 432.820 3.588 40 5 IHBBRN O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1)OCc1ccccc1 ZINC000408736979 556618711 /nfs/dbraw/zinc/61/87/11/556618711.db2.gz KMHYOASOUYBSON-OAQYLSRUSA-N 0 0 425.485 3.881 40 5 IHBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409067979 556629616 /nfs/dbraw/zinc/62/96/16/556629616.db2.gz RYOUDYPXBONGSW-VBEHJTROSA-N 0 0 442.449 3.772 40 5 IHBBRN CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000409129815 556630484 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IHBBRN CCOc1ccc(C(=O)C2CCN(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000004966686 556826064 /nfs/dbraw/zinc/82/60/64/556826064.db2.gz GOJGMMQSNKEQNY-UHFFFAOYSA-N 0 0 425.485 3.835 40 5 IHBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c([N+](=O)[O-])cc1OC ZINC000408917293 556888863 /nfs/dbraw/zinc/88/88/63/556888863.db2.gz QLMZDIKWKJJZJW-CAOOACKPSA-N 0 0 445.409 3.757 40 5 IHBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000409100223 556955272 /nfs/dbraw/zinc/95/52/72/556955272.db2.gz UPVRRXGLTYDGNX-GZTJUZNOSA-N 0 0 427.438 3.669 40 5 IHBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409176935 556986256 /nfs/dbraw/zinc/98/62/56/556986256.db2.gz BNTSISNJCNDNQM-UHFFFAOYSA-N 0 0 442.405 3.693 40 5 IHBBRN COc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 ZINC000409179604 556987847 /nfs/dbraw/zinc/98/78/47/556987847.db2.gz SUVKMMOLKVVFLJ-UHFFFAOYSA-N 0 0 432.388 3.761 40 5 IHBBRN 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CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc2ccccc21 ZINC000218279493 557187169 /nfs/dbraw/zinc/18/71/69/557187169.db2.gz QGCRBKQOEVLICR-UHFFFAOYSA-N 0 0 433.873 3.806 40 5 IHBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000101192050 557262918 /nfs/dbraw/zinc/26/29/18/557262918.db2.gz QYGAIPNYDYKXHJ-BDTNDASRSA-N 0 0 429.432 3.954 40 5 IHBBRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2C)cc1 ZINC000014082999 557298899 /nfs/dbraw/zinc/29/88/99/557298899.db2.gz OBNDKOQUEXAUBV-UHFFFAOYSA-N 0 0 433.877 3.783 40 5 IHBBRN Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1 ZINC000014117168 557420486 /nfs/dbraw/zinc/42/04/86/557420486.db2.gz ZZRFOEAPCNVSCO-UHFFFAOYSA-N 0 0 427.486 3.650 40 5 IHBBRN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000408583641 557420469 /nfs/dbraw/zinc/42/04/69/557420469.db2.gz VZSOSLUTFWWEIS-UHFFFAOYSA-N 0 0 443.485 3.525 40 5 IHBBRN CS(=O)(=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000408604777 557420983 /nfs/dbraw/zinc/42/09/83/557420983.db2.gz IEDLOJBHUIVVGG-UHFFFAOYSA-N 0 0 441.465 3.792 40 5 IHBBRN CCCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408640496 557425513 /nfs/dbraw/zinc/42/55/13/557425513.db2.gz IZEDCYYULGNFIJ-KRWDZBQOSA-N 0 0 439.468 3.933 40 5 IHBBRN O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000408664320 557426937 /nfs/dbraw/zinc/42/69/37/557426937.db2.gz PYPAVORKDCPSOX-UHFFFAOYSA-N 0 0 440.239 3.802 40 5 IHBBRN CC(C)Oc1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000222364614 568638253 /nfs/dbraw/zinc/63/82/53/568638253.db2.gz JSURRISUVUBEOH-UHFFFAOYSA-N 0 0 435.502 3.567 40 5 IHBBRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1F ZINC000222388622 568642372 /nfs/dbraw/zinc/64/23/72/568642372.db2.gz LVKGPTVLYOPSGS-UHFFFAOYSA-N 0 0 443.456 3.952 40 5 IHBBRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222529383 568650520 /nfs/dbraw/zinc/65/05/20/568650520.db2.gz SUHLOCIZTLDTMC-JXFKEZNVSA-N 0 0 433.530 3.634 40 5 IHBBRN Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C ZINC000223480564 568848662 /nfs/dbraw/zinc/84/86/62/568848662.db2.gz BYDKTCAVKHAQQK-ZWKOTPCHSA-N 0 0 447.557 3.860 40 5 IHBBRN Nn1c(=O)c2ccccc2nc1-c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000575414755 568862493 /nfs/dbraw/zinc/86/24/93/568862493.db2.gz BXTCOTQDGCXYAU-UHFFFAOYSA-N 0 0 427.214 3.708 40 5 IHBBRN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224194076 568915695 /nfs/dbraw/zinc/91/56/95/568915695.db2.gz VMGATGIIGBNPDS-UHFFFAOYSA-N 0 0 425.466 3.981 40 5 IHBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224246432 568916735 /nfs/dbraw/zinc/91/67/35/568916735.db2.gz LCHXQFIHYMPDRP-MRXNPFEDSA-N 0 0 431.920 3.980 40 5 IHBBRN Cc1c(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000224411641 568924105 /nfs/dbraw/zinc/92/41/05/568924105.db2.gz BKUWVBWERCPWDH-UHFFFAOYSA-N 0 0 439.493 3.976 40 5 IHBBRN CCCCCC(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016637757 568926981 /nfs/dbraw/zinc/92/69/81/568926981.db2.gz MJKXKVAQSDPONE-UHFFFAOYSA-N 0 0 432.468 3.717 40 5 IHBBRN COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000224527613 568937143 /nfs/dbraw/zinc/93/71/43/568937143.db2.gz FHYYQLLIUATKQA-UHFFFAOYSA-N 0 0 427.438 3.657 40 5 IHBBRN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000016692090 568938154 /nfs/dbraw/zinc/93/81/54/568938154.db2.gz KDUOSKCXAUDCRY-UHFFFAOYSA-N 0 0 433.424 3.988 40 5 IHBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1OC ZINC000006878332 569094675 /nfs/dbraw/zinc/09/46/75/569094675.db2.gz HZDHCAXRGRWKLP-UHFFFAOYSA-N 0 0 427.486 3.921 40 5 IHBBRN CCOC(=O)c1cc(N(CC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000224789772 569186834 /nfs/dbraw/zinc/18/68/34/569186834.db2.gz LXIHXEMIJPFXOU-UHFFFAOYSA-N 0 0 426.878 3.949 40 5 IHBBRN CCCC[C@H](CC)CNC(=O)CCCN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000224861164 569190333 /nfs/dbraw/zinc/19/03/33/569190333.db2.gz OQIYWTBOHVKAMW-KRWDZBQOSA-N 0 0 427.567 3.782 40 5 IHBBRN CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000224884977 569190429 /nfs/dbraw/zinc/19/04/29/569190429.db2.gz VZJMBFLSDMEZES-UHFFFAOYSA-N 0 0 445.291 3.590 40 5 IHBBRN C[C@H]1Cc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010325978 569223079 /nfs/dbraw/zinc/22/30/79/569223079.db2.gz NIKIZZVRIQJVTA-HNNXBMFYSA-N 0 0 437.477 3.987 40 5 IHBBRN CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCCC1 ZINC000026115212 569242330 /nfs/dbraw/zinc/24/23/30/569242330.db2.gz IETWTCGSFPWDDS-UHFFFAOYSA-N 0 0 435.527 3.662 40 5 IHBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1 ZINC000033705776 569245943 /nfs/dbraw/zinc/24/59/43/569245943.db2.gz DSLZFHONBGROJY-UHFFFAOYSA-N 0 0 427.486 3.650 40 5 IHBBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2C(=S)N2CCOCC2)cc1 ZINC000033743326 569246479 /nfs/dbraw/zinc/24/64/79/569246479.db2.gz XKUGSSWTTDTWIK-UHFFFAOYSA-N 0 0 437.315 3.944 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O ZINC000108060888 569252219 /nfs/dbraw/zinc/25/22/19/569252219.db2.gz HNOTUVFMPOGLRS-FRKPEAEDSA-N 0 0 449.391 3.557 40 5 IHBBRN O=C1[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000009280914 569294976 /nfs/dbraw/zinc/29/49/76/569294976.db2.gz TVNKGLFFGUBVSO-NJYVYQBISA-N 0 0 433.395 3.785 40 5 IHBBRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c1 ZINC000009312422 569295345 /nfs/dbraw/zinc/29/53/45/569295345.db2.gz QCMIGTMWYPLPKM-BDTNDASRSA-N 0 0 429.432 3.954 40 5 IHBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113890399 569297064 /nfs/dbraw/zinc/29/70/64/569297064.db2.gz RHAYZFGXUPMTOW-UHFFFAOYSA-N 0 0 433.269 3.660 40 5 IHBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc21 ZINC000010010607 569299068 /nfs/dbraw/zinc/29/90/68/569299068.db2.gz HKQDLZLQOPPONS-UHFFFAOYSA-N 0 0 443.441 3.974 40 5 IHBBRN CC[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260508243 569307028 /nfs/dbraw/zinc/30/70/28/569307028.db2.gz QHUFISSFCLLCDX-XLIONFOSSA-N 0 0 447.557 3.585 40 5 IHBBRN CC[C@@H](C(=O)N[C@H](C)c1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260507801 569307037 /nfs/dbraw/zinc/30/70/37/569307037.db2.gz OPBNIELTEXJZAB-XLIONFOSSA-N 0 0 447.557 3.942 40 5 IHBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)cc1 ZINC000260927000 569312509 /nfs/dbraw/zinc/31/25/09/569312509.db2.gz XRYVWVRGNHPBNC-BVYCBKJFSA-N 0 0 449.536 3.932 40 5 IHBBRN COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000018246759 569316254 /nfs/dbraw/zinc/31/62/54/569316254.db2.gz KKWLEQOPCNKWOY-BHIFYINESA-N 0 0 445.431 3.655 40 5 IHBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000020035911 569332428 /nfs/dbraw/zinc/33/24/28/569332428.db2.gz LRLZETKYEOVMDB-UHFFFAOYSA-N 0 0 430.457 3.933 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccc(C)c(C)c2)o1 ZINC000020051096 569332723 /nfs/dbraw/zinc/33/27/23/569332723.db2.gz ZYZLYRXNWPHODM-UHFFFAOYSA-N 0 0 444.469 3.913 40 5 IHBBRN CCOC(=O)C1=C(C)N(C)[C@]2(CC(C(=O)c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)C1 ZINC000096191958 569386224 /nfs/dbraw/zinc/38/62/24/569386224.db2.gz RZJQXAHSVCTSCE-XMMPIXPASA-N 0 0 448.479 3.913 40 5 IHBBRN COc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000002502997 569405821 /nfs/dbraw/zinc/40/58/21/569405821.db2.gz MJJYJBCGPXBNIA-OAQYLSRUSA-N 0 0 425.466 3.919 40 5 IHBBRN Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000225984684 569409721 /nfs/dbraw/zinc/40/97/21/569409721.db2.gz GQBFDBGNEVPBPZ-UHFFFAOYSA-N 0 0 439.493 3.910 40 5 IHBBRN COc1cccc(-c2noc(CN(C)C(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000218054040 569456104 /nfs/dbraw/zinc/45/61/04/569456104.db2.gz BFWRXQRKOGVFRL-UHFFFAOYSA-N 0 0 428.470 3.545 40 5 IHBBRN O=C(/N=c1/sc(C(=O)c2cccs2)nn1-c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000003849181 569456656 /nfs/dbraw/zinc/45/66/56/569456656.db2.gz QWDPHGISZJNGSA-QZQOTICOSA-N 0 0 436.474 3.876 40 5 IHBBRN CC(C)C(=O)Nc1cccc(NC(=O)COc2cc([N+](=O)[O-])ccc2Br)c1 ZINC000032114578 569460281 /nfs/dbraw/zinc/46/02/81/569460281.db2.gz KRSAYZFTUYEPCE-UHFFFAOYSA-N 0 0 436.262 3.969 40 5 IHBBRN CCOc1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2N2CCOCC2)cc1 ZINC000022763105 520860905 /nfs/dbraw/zinc/86/09/05/520860905.db2.gz MVQDCDQVWAEAHO-DQRAZIAOSA-N 0 0 426.498 3.724 40 5 IHBBRN COc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C(C)C)n2)cc1 ZINC000022257423 523284352 /nfs/dbraw/zinc/28/43/52/523284352.db2.gz UONKWDOLHXGOER-UHFFFAOYSA-N 0 0 440.456 3.778 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000010330908 556332082 /nfs/dbraw/zinc/33/20/82/556332082.db2.gz MCWSQZUCHTWQDN-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408689009 556616316 /nfs/dbraw/zinc/61/63/16/556616316.db2.gz XMDCQXOMJHUDPW-MOPGFXCFSA-N 0 0 437.427 3.633 40 5 IHBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCC(C)CC1 ZINC000408703119 556617956 /nfs/dbraw/zinc/61/79/56/556617956.db2.gz NIEXSOLWMJFXIG-UHFFFAOYSA-N 0 0 447.513 3.585 40 5 IHBBRN Cn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409127644 556631135 /nfs/dbraw/zinc/63/11/35/556631135.db2.gz FAEROVBQLNQAGI-UHFFFAOYSA-N 0 0 448.302 3.884 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O ZINC000409172297 556632513 /nfs/dbraw/zinc/63/25/13/556632513.db2.gz BXSXEHHIJJARKM-LICLKQGHSA-N 0 0 441.465 3.895 40 5 IHBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1O ZINC000409361513 556638571 /nfs/dbraw/zinc/63/85/71/556638571.db2.gz SHWGIUUFBPNYKZ-PXNMLYILSA-N 0 0 448.840 3.882 40 5 IHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000001359721 556786581 /nfs/dbraw/zinc/78/65/81/556786581.db2.gz PQHABCRITWMQSF-UHFFFAOYSA-N 0 0 432.411 3.813 40 5 IHBBRN O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1N1CCCC1 ZINC000005085662 556826574 /nfs/dbraw/zinc/82/65/74/556826574.db2.gz ZBWLNBBUUFUSRS-UHFFFAOYSA-N 0 0 446.485 3.536 40 5 IHBBRN Cc1c(NC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220197619 557005513 /nfs/dbraw/zinc/00/55/13/557005513.db2.gz AAMGLTAJRUCGKD-LBPRGKRZSA-N 0 0 445.419 3.715 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O ZINC000220385972 557134187 /nfs/dbraw/zinc/13/41/87/557134187.db2.gz GEAPUXIAFCNCLX-LBPRGKRZSA-N 0 0 445.419 3.715 40 5 IHBBRN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220402873 557143482 /nfs/dbraw/zinc/14/34/82/557143482.db2.gz NSEIQZWZOBGNGI-SNVBAGLBSA-N 0 0 432.285 3.695 40 5 IHBBRN C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220402808 557143485 /nfs/dbraw/zinc/14/34/85/557143485.db2.gz NSEIQZWZOBGNGI-JTQLQIEISA-N 0 0 432.285 3.695 40 5 IHBBRN CSc1n[n+]2c(-c3c(C)nn(-c4ccccc4)c3Cl)nc3ccccc3c2c(=O)[n-]1 ZINC000588226713 557153519 /nfs/dbraw/zinc/15/35/19/557153519.db2.gz SEQDYSGCVRTVOR-UHFFFAOYSA-O 0 0 435.920 3.593 40 5 IHBBRN CC[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000220423918 557154420 /nfs/dbraw/zinc/15/44/20/557154420.db2.gz RJTPYAWCGQUDKC-OXQOHEQNSA-N 0 0 433.530 3.634 40 5 IHBBRN Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@@H]3C2=O)c1 ZINC000101100305 557255205 /nfs/dbraw/zinc/25/52/05/557255205.db2.gz KVWRTGLPXOMTMP-FKBYEOEOSA-N 0 0 429.432 3.954 40 5 IHBBRN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102724268 557368834 /nfs/dbraw/zinc/36/88/34/557368834.db2.gz SCCPQDAGFFQDBE-BHIFYINESA-N 0 0 445.431 3.655 40 5 IHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000408571433 557419691 /nfs/dbraw/zinc/41/96/91/557419691.db2.gz AZRIJYHRENAGKK-UHFFFAOYSA-N 0 0 431.876 3.696 40 5 IHBBRN CCOc1ccccc1-c1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)n[nH]1 ZINC000408583083 557420542 /nfs/dbraw/zinc/42/05/42/557420542.db2.gz RKALHVLMPHOFRV-UHFFFAOYSA-N 0 0 429.458 3.518 40 5 IHBBRN CSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1 ZINC000223066682 557424771 /nfs/dbraw/zinc/42/47/71/557424771.db2.gz QEICAPBAIRHHOW-ZJNRKIDTSA-N 0 0 436.541 3.538 40 5 IHBBRN C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000408661551 557426346 /nfs/dbraw/zinc/42/63/46/557426346.db2.gz XIIAVJZVTFQTOT-HNNXBMFYSA-N 0 0 443.415 3.520 40 5 IHBBRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000408661552 557426796 /nfs/dbraw/zinc/42/67/96/557426796.db2.gz XIIAVJZVTFQTOT-OAHLLOKOSA-N 0 0 443.415 3.520 40 5 IHBBRN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014269586 557428727 /nfs/dbraw/zinc/42/87/27/557428727.db2.gz XRJZTBVUUDZPRE-UHFFFAOYSA-N 0 0 447.448 3.759 40 5 IHBBRN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C(=O)N1CCC(C)CC1 ZINC000014398593 557436289 /nfs/dbraw/zinc/43/62/89/557436289.db2.gz WXJWRGPEZCGFGM-UHFFFAOYSA-N 0 0 447.513 3.585 40 5 IHBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000014413176 557445115 /nfs/dbraw/zinc/44/51/15/557445115.db2.gz OIHDXVDQUPBWJB-UHFFFAOYSA-N 0 0 447.419 3.707 40 5 IHBBRN Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C ZINC000260914944 568628491 /nfs/dbraw/zinc/62/84/91/568628491.db2.gz BYDKTCAVKHAQQK-ROUUACIJSA-N 0 0 447.557 3.860 40 5 IHBBRN CCc1cccc(C)c1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222375546 568639472 /nfs/dbraw/zinc/63/94/72/568639472.db2.gz CNNYFFRJKTYMFH-UHFFFAOYSA-N 0 0 433.530 3.959 40 5 IHBBRN Cc1c(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000222533344 568651457 /nfs/dbraw/zinc/65/14/57/568651457.db2.gz HXGHLMOYMRSGPI-UHFFFAOYSA-N 0 0 425.466 3.981 40 5 IHBBRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000222545631 568652359 /nfs/dbraw/zinc/65/23/59/568652359.db2.gz IKETWXKTYCZKRZ-UHFFFAOYSA-N 0 0 425.466 3.981 40 5 IHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222544701 568652375 /nfs/dbraw/zinc/65/23/75/568652375.db2.gz BWVOXMAJDGWNLO-QHCPKHFHSA-N 0 0 449.482 3.663 40 5 IHBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222544634 568652397 /nfs/dbraw/zinc/65/23/97/568652397.db2.gz BWVOXMAJDGWNLO-HSZRJFAPSA-N 0 0 449.482 3.663 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000015271491 568752856 /nfs/dbraw/zinc/75/28/56/568752856.db2.gz BRHBULZZOGANKA-UHFFFAOYSA-N 0 0 445.428 3.796 40 5 IHBBRN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000218474274 568758695 /nfs/dbraw/zinc/75/86/95/568758695.db2.gz VHINUPPNRQFPDL-SNVBAGLBSA-N 0 0 432.285 3.695 40 5 IHBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223243151 568787164 /nfs/dbraw/zinc/78/71/64/568787164.db2.gz SPYJXLNCPQPOGG-KRWDZBQOSA-N 0 0 438.311 3.998 40 5 IHBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223287032 568793399 /nfs/dbraw/zinc/79/33/99/568793399.db2.gz JKFGUMPUSGZFRX-QGZVFWFLSA-N 0 0 438.311 3.998 40 5 IHBBRN CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000224156384 568907783 /nfs/dbraw/zinc/90/77/83/568907783.db2.gz IZBMHLAEVZDQPY-UHFFFAOYSA-N 0 0 429.429 3.811 40 5 IHBBRN CCC(=O)n1nc(-c2ccccc2)nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000006461971 568918272 /nfs/dbraw/zinc/91/82/72/568918272.db2.gz HYKOQVWLGQDOIZ-UHFFFAOYSA-N 0 0 441.469 3.643 40 5 IHBBRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000017096898 569172415 /nfs/dbraw/zinc/17/24/15/569172415.db2.gz STOSEZQOOFLYIY-UHFFFAOYSA-N 0 0 430.486 3.859 40 5 IHBBRN CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000017094892 569172632 /nfs/dbraw/zinc/17/26/32/569172632.db2.gz VAMARCFFZDFTOT-UHFFFAOYSA-N 0 0 426.498 3.915 40 5 IHBBRN CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000017094888 569172817 /nfs/dbraw/zinc/17/28/17/569172817.db2.gz QJCWSNVCXJZONX-UHFFFAOYSA-N 0 0 426.498 3.915 40 5 IHBBRN Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017099242 569173440 /nfs/dbraw/zinc/17/34/40/569173440.db2.gz GTRJLRPZZDCJJM-UHFFFAOYSA-N 0 0 434.905 3.520 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O ZINC000224853784 569190036 /nfs/dbraw/zinc/19/00/36/569190036.db2.gz DFXKWTPYIXBYDA-UHFFFAOYSA-N 0 0 427.567 3.780 40 5 IHBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1NC(=O)C(F)(F)F ZINC000009062501 569219667 /nfs/dbraw/zinc/21/96/67/569219667.db2.gz WBFRWFZUEVFPBP-UHFFFAOYSA-N 0 0 437.359 3.866 40 5 IHBBRN Cc1ccc(C(=O)NCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000010040050 569220789 /nfs/dbraw/zinc/22/07/89/569220789.db2.gz AGZORYQEOBHXEM-HSZRJFAPSA-N 0 0 432.432 3.800 40 5 IHBBRN CC(C)(C)c1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 ZINC000010313938 569222367 /nfs/dbraw/zinc/22/23/67/569222367.db2.gz DCVYTHMDHMJULC-UHFFFAOYSA-N 0 0 439.921 3.950 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1-c1ccccc1)S(C)(=O)=O ZINC000010361343 569223779 /nfs/dbraw/zinc/22/37/79/569223779.db2.gz BOKNVBMFFWNQTR-UHFFFAOYSA-N 0 0 439.493 3.975 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000010366271 569224033 /nfs/dbraw/zinc/22/40/33/569224033.db2.gz BVSQGOCLQHCMQW-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 ZINC000034738528 569247527 /nfs/dbraw/zinc/24/75/27/569247527.db2.gz TYTDXZZDSHWLNW-UHFFFAOYSA-N 0 0 442.409 3.898 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NS(C)(=O)=O)cc2s1 ZINC000059489712 569249685 /nfs/dbraw/zinc/24/96/85/569249685.db2.gz POQNWCJPRQMNHL-UHFFFAOYSA-N 0 0 425.513 3.877 40 5 IHBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1F ZINC000107932964 569251779 /nfs/dbraw/zinc/25/17/79/569251779.db2.gz HUDFUCIQLMODBI-UHFFFAOYSA-N 0 0 445.428 3.796 40 5 IHBBRN Cc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2C)cc1[N+](=O)[O-] ZINC000108929372 569253191 /nfs/dbraw/zinc/25/31/91/569253191.db2.gz BTLBPSRANFVSJP-UHFFFAOYSA-N 0 0 441.513 3.958 40 5 IHBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1Cl ZINC000108950170 569253273 /nfs/dbraw/zinc/25/32/73/569253273.db2.gz RRWJAXLIOKKTCK-LZYBPNLTSA-N 0 0 447.856 3.932 40 5 IHBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018059658 569284541 /nfs/dbraw/zinc/28/45/41/569284541.db2.gz MXBNLMMPMIDQOU-FSSWDIPSSA-N 0 0 429.432 3.954 40 5 IHBBRN C[C@@]12C[C@@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3CC3(C(=O)OC(C)(C)OC3=O)[C@@H]12 ZINC000009111391 569293827 /nfs/dbraw/zinc/29/38/27/569293827.db2.gz SFVZXKJJWUYETE-ULYRPOKDSA-N 0 0 428.485 3.747 40 5 IHBBRN CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113883373 569297063 /nfs/dbraw/zinc/29/70/63/569297063.db2.gz SWZGWKFCMXZCOU-UHFFFAOYSA-N 0 0 433.269 3.660 40 5 IHBBRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000010119894 569299334 /nfs/dbraw/zinc/29/93/34/569299334.db2.gz NFDUMGBESFQYQY-UHFFFAOYSA-N 0 0 430.833 3.675 40 5 IHBBRN CC[C@H](C(=O)N[C@H](C)c1ccc(C)c(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260507876 569307013 /nfs/dbraw/zinc/30/70/13/569307013.db2.gz OUWJFYDMEGYSOU-YLJYHZDGSA-N 0 0 447.557 3.942 40 5 IHBBRN CC[C@@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260512468 569307145 /nfs/dbraw/zinc/30/71/45/569307145.db2.gz WTSJGPLICLSYDO-APWZRJJASA-N 0 0 433.530 3.634 40 5 IHBBRN CC[C@@H](C(=O)N[C@H](C)c1ccc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260511882 569307160 /nfs/dbraw/zinc/30/71/60/569307160.db2.gz SUHLOCIZTLDTMC-UZLBHIALSA-N 0 0 433.530 3.634 40 5 IHBBRN Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C ZINC000260914940 569312489 /nfs/dbraw/zinc/31/24/89/569312489.db2.gz BYDKTCAVKHAQQK-MSOLQXFVSA-N 0 0 447.557 3.860 40 5 IHBBRN Cc1c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000019164662 569316313 /nfs/dbraw/zinc/31/63/13/569316313.db2.gz YZQFYPPZYLMVDP-UHFFFAOYSA-N 0 0 425.466 3.981 40 5 IHBBRN CCC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000019499733 569320256 /nfs/dbraw/zinc/32/02/56/569320256.db2.gz CZRLCKMMEREIRD-IBGZPJMESA-N 0 0 441.561 3.700 40 5 IHBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000020410965 569363771 /nfs/dbraw/zinc/36/37/71/569363771.db2.gz MFGRBDSCQKSQOL-UHFFFAOYSA-N 0 0 436.493 3.711 40 5 IHBBRN CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1OCC ZINC000225770653 569408425 /nfs/dbraw/zinc/40/84/25/569408425.db2.gz LXQHQVYNIPOMKG-UHFFFAOYSA-N 0 0 442.468 3.857 40 5 IHBBRN COc1ccc(-c2noc(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(OC)c1 ZINC000218126952 569456459 /nfs/dbraw/zinc/45/64/59/569456459.db2.gz QVWHFMFJNAMNCD-UHFFFAOYSA-N 0 0 432.820 3.588 40 5 IHBBRN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc([N+](=O)[O-])cc1Cl ZINC000218122184 569456462 /nfs/dbraw/zinc/45/64/62/569456462.db2.gz MMYHTBPTGLGRDH-UHFFFAOYSA-N 0 0 437.637 3.991 40 5 IHBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1)OCc1ccccc1 ZINC000008435363 569464176 /nfs/dbraw/zinc/46/41/76/569464176.db2.gz ZHYYNFHWOZODAU-KRWDZBQOSA-N 0 0 426.454 3.528 40 5 IHBBRN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985283 569482213 /nfs/dbraw/zinc/48/22/13/569482213.db2.gz CEUKPJZHRTZQPO-UHFFFAOYSA-N 0 0 446.312 3.859 40 5 IHBBRN CC(C)c1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000022400384 519844413 /nfs/dbraw/zinc/84/44/13/519844413.db2.gz RZZKTDHXPNNBQS-UHFFFAOYSA-N 0 0 425.894 3.776 40 5 IHBBRN CC[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1C ZINC000022375312 522682393 /nfs/dbraw/zinc/68/23/93/522682393.db2.gz GWISWXOUQSAXPG-LJQANCHMSA-N 0 0 433.530 3.554 40 5 IHBBRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000022389991 526704058 /nfs/dbraw/zinc/70/40/58/526704058.db2.gz JEMWZNAJYCODEN-UHFFFAOYSA-N 0 0 447.419 3.707 40 5 IHBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611816 527606811 /nfs/dbraw/zinc/60/68/11/527606811.db2.gz AAWRTJAANBDFJV-QHHAFSJGSA-N 0 0 432.820 3.645 40 5 IHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000408676195 556068111 /nfs/dbraw/zinc/06/81/11/556068111.db2.gz AKXUOMWMKJEZJK-HDICACEKSA-N 0 0 439.855 3.757 40 5 IHBBRN O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Cl)c2)cc1 ZINC000032640722 556413276 /nfs/dbraw/zinc/41/32/76/556413276.db2.gz DUXFNMUDNROHOL-IRXDYDNUSA-N 0 0 437.930 3.523 40 5 IHBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408679417 556615503 /nfs/dbraw/zinc/61/55/03/556615503.db2.gz DYXVCPZKFOTQCJ-ZMYBRWDISA-N 0 0 439.443 3.713 40 5 IHBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408679834 556615543 /nfs/dbraw/zinc/61/55/43/556615543.db2.gz FKCZSWBDBKWNTB-KDURUIRLSA-N 0 0 441.871 3.981 40 5 IHBBRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408687651 556616690 /nfs/dbraw/zinc/61/66/90/556616690.db2.gz URWLJMYFNBTUIU-ZMYBRWDISA-N 0 0 439.443 3.713 40 5 IHBBRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408684425 556616709 /nfs/dbraw/zinc/61/67/09/556616709.db2.gz NGLYNGJHGHCLCW-WMZOPIPTSA-N 0 0 437.427 3.633 40 5 IHBBRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408713919 556617755 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0 0 446.444 3.561 40 5 IHBBRN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409000381 556914289 /nfs/dbraw/zinc/91/42/89/556914289.db2.gz WCALBJLZTRMOME-MGPUTAFESA-N 0 0 428.441 3.662 40 5 IHBBRN COc1ccc2c(c1)-c1nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc1CC2 ZINC000409053064 556931259 /nfs/dbraw/zinc/93/12/59/556931259.db2.gz WXJNXTWVZRLYMX-UHFFFAOYSA-N 0 0 426.410 3.986 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000019869082 556935398 /nfs/dbraw/zinc/93/53/98/556935398.db2.gz FXCROSGLOKPXJX-UHFFFAOYSA-N 0 0 441.440 3.857 40 5 IHBBRN CCOc1cc2c(cc1/C=C1/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C1=O)OCO2 ZINC000409093533 556949534 /nfs/dbraw/zinc/94/95/34/556949534.db2.gz AAUUBPNXCKDKAO-QGMBQPNBSA-N 0 0 428.422 3.959 40 5 IHBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000409154942 556979391 /nfs/dbraw/zinc/97/93/91/556979391.db2.gz PNHOLRVLLQUDRY-LICLKQGHSA-N 0 0 427.438 3.587 40 5 IHBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000409155768 556979679 /nfs/dbraw/zinc/97/96/79/556979679.db2.gz MVNYPSBYEGGCSU-VCHYOVAHSA-N 0 0 441.465 3.895 40 5 IHBBRN COCCN1C(=O)S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409217027 557011824 /nfs/dbraw/zinc/01/18/24/557011824.db2.gz NHRNEUFARQMULJ-LICLKQGHSA-N 0 0 445.409 3.978 40 5 IHBBRN Cc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1Cl ZINC000220364136 557121184 /nfs/dbraw/zinc/12/11/84/557121184.db2.gz RHGIVVAIHOQDOO-CYBMUJFWSA-N 0 0 425.894 3.658 40 5 IHBBRN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220412702 557149521 /nfs/dbraw/zinc/14/95/21/557149521.db2.gz AGMRJTUQBVOROQ-JTQLQIEISA-N 0 0 432.285 3.695 40 5 IHBBRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c1 ZINC000100985369 557209896 /nfs/dbraw/zinc/20/98/96/557209896.db2.gz FNORUDMBNCDKKE-BDTNDASRSA-N 0 0 429.432 3.954 40 5 IHBBRN Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)N(c3ccccc3)O[C@@H]2C1=O ZINC000100997162 557210812 /nfs/dbraw/zinc/21/08/12/557210812.db2.gz IOSCYWBRIHXQPY-FSSWDIPSSA-N 0 0 429.432 3.954 40 5 IHBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)N1CCCC1 ZINC000205911773 557296429 /nfs/dbraw/zinc/29/64/29/557296429.db2.gz AXOCGKKDYQONTR-GZTJUZNOSA-N 0 0 427.438 3.514 40 5 IHBBRN COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 ZINC000014082996 557298977 /nfs/dbraw/zinc/29/89/77/557298977.db2.gz OFEUADUBXDXTKQ-UHFFFAOYSA-N 0 0 433.877 3.783 40 5 IHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000014409789 557337217 /nfs/dbraw/zinc/33/72/17/557337217.db2.gz PJRXSAOUWXFYBC-UHFFFAOYSA-N 0 0 428.430 3.512 40 5 IHBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102709071 557365328 /nfs/dbraw/zinc/36/53/28/557365328.db2.gz BTYKVKZKPFZZEW-ACRUOGEOSA-N 0 0 433.395 3.785 40 5 IHBBRN O=C(Nc1ccc(Cl)c(Cl)c1)OCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000013601088 557380542 /nfs/dbraw/zinc/38/05/42/557380542.db2.gz HUPHPPBRLKBUGH-UHFFFAOYSA-N 0 0 448.284 3.819 40 5 IHBBRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000408573994 557420002 /nfs/dbraw/zinc/42/00/02/557420002.db2.gz GVBXAZAIBLRLPO-UHFFFAOYSA-N 0 0 449.463 3.837 40 5 IHBBRN Cc1c(C)c(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1Br ZINC000408637806 557423590 /nfs/dbraw/zinc/42/35/90/557423590.db2.gz AFEWXGNOFLVJQP-ZDUSSCGKSA-N 0 0 432.274 3.966 40 5 IHBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1ccc(NC(C)=O)cc1 ZINC000408639425 557423846 /nfs/dbraw/zinc/42/38/46/557423846.db2.gz WTKLFAUNWPZURM-UHFFFAOYSA-N 0 0 428.430 3.891 40 5 IHBBRN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)n[nH]1 ZINC000408639435 557423881 /nfs/dbraw/zinc/42/38/81/557423881.db2.gz WVPSHSBQCZVLNH-UHFFFAOYSA-N 0 0 449.876 3.781 40 5 IHBBRN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc(C)c1Br ZINC000408640901 557424532 /nfs/dbraw/zinc/42/45/32/557424532.db2.gz KEPQXASPYIANEX-ZDUSSCGKSA-N 0 0 432.274 3.966 40 5 IHBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000408662507 557427315 /nfs/dbraw/zinc/42/73/15/557427315.db2.gz DYFZUHOBMKDEAD-UHFFFAOYSA-N 0 0 433.848 3.847 40 5 IHBBRN O=C(CCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000408665037 557427961 /nfs/dbraw/zinc/42/79/61/557427961.db2.gz SEOREBXJBCJGCO-UHFFFAOYSA-N 0 0 439.346 3.514 40 5 IHBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224674784 557639718 /nfs/dbraw/zinc/63/97/18/557639718.db2.gz UUDGTETUEXDNKU-INIZCTEOSA-N 0 0 427.476 3.753 40 5 IHBBRN CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000260941288 568631212 /nfs/dbraw/zinc/63/12/12/568631212.db2.gz SHTKQKWLSVWHPB-VFNWGFHPSA-N 0 0 445.541 3.506 40 5 IHBBRN Cc1ccc([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C ZINC000222378522 568639676 /nfs/dbraw/zinc/63/96/76/568639676.db2.gz FFMSIQMKJUUOBN-GOSISDBHSA-N 0 0 447.557 3.944 40 5 IHBBRN CC[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222520043 568650107 /nfs/dbraw/zinc/65/01/07/568650107.db2.gz JDOBXDMQIVWOEC-KRWDZBQOSA-N 0 0 425.894 3.740 40 5 IHBBRN CC[C@H](C(=O)Nc1ccccc1SC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222538707 568651652 /nfs/dbraw/zinc/65/16/52/568651652.db2.gz NQQYCAJIUFLZKU-MRXNPFEDSA-N 0 0 437.543 3.808 40 5 IHBBRN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000218314043 568741656 /nfs/dbraw/zinc/74/16/56/568741656.db2.gz IEULMYJBDMHJKZ-UHFFFAOYSA-N 0 0 425.466 3.813 40 5 IHBBRN COc1cc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000001438633 568794629 /nfs/dbraw/zinc/79/46/29/568794629.db2.gz WWWKTCVDZFZVIP-NRFANRHFSA-N 0 0 448.435 3.524 40 5 IHBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 ZINC000223320124 568795598 /nfs/dbraw/zinc/79/55/98/568795598.db2.gz XFFRQQOMRJNGIN-YUXAGFNASA-N 0 0 449.536 3.932 40 5 IHBBRN COc1ccc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1Br ZINC000016226658 568873475 /nfs/dbraw/zinc/87/34/75/568873475.db2.gz NIPVAENAHPDGPD-VMPITWQZSA-N 0 0 436.287 3.892 40 5 IHBBRN Cc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000016250121 568874880 /nfs/dbraw/zinc/87/48/80/568874880.db2.gz XEHNWTZEDZMOPO-UHFFFAOYSA-N 0 0 438.362 3.793 40 5 IHBBRN COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1 ZINC000224528398 568937064 /nfs/dbraw/zinc/93/70/64/568937064.db2.gz CLBSZWAQMHLFNU-UHFFFAOYSA-N 0 0 441.465 3.965 40 5 IHBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(I)cn1 ZINC000017096653 569172369 /nfs/dbraw/zinc/17/23/69/569172369.db2.gz QCZXYRQNQNALPH-QHHAFSJGSA-N 0 0 429.601 3.900 40 5 IHBBRN COc1ccc(OC)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000017095360 569172529 /nfs/dbraw/zinc/17/25/29/569172529.db2.gz PJQXEASIVXRCTO-UHFFFAOYSA-N 0 0 427.438 3.999 40 5 IHBBRN O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000017099709 569173284 /nfs/dbraw/zinc/17/32/84/569173284.db2.gz JPJGTWAFNWXWOI-UHFFFAOYSA-N 0 0 435.736 3.906 40 5 IHBBRN CCOC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225036465 569213438 /nfs/dbraw/zinc/21/34/38/569213438.db2.gz FEGXVQZDBQVXAP-UHFFFAOYSA-N 0 0 433.269 3.660 40 5 IHBBRN CCOC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225079844 569214269 /nfs/dbraw/zinc/21/42/69/569214269.db2.gz OKZZLLKDGDZJNE-UHFFFAOYSA-N 0 0 447.296 3.968 40 5 IHBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000009062481 569219668 /nfs/dbraw/zinc/21/96/68/569219668.db2.gz LHCPNPMYLWEULG-UHFFFAOYSA-N 0 0 437.359 3.866 40 5 IHBBRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000010337784 569223472 /nfs/dbraw/zinc/22/34/72/569223472.db2.gz LYOGGOOENXITJT-UHFFFAOYSA-N 0 0 443.456 3.952 40 5 IHBBRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000010370875 569224147 /nfs/dbraw/zinc/22/41/47/569224147.db2.gz GZUTYJPSTJFONV-ZDUSSCGKSA-N 0 0 425.894 3.658 40 5 IHBBRN CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000033778970 569246711 /nfs/dbraw/zinc/24/67/11/569246711.db2.gz IXZUSRBNFMIQHL-KRWDZBQOSA-N 0 0 433.436 3.783 40 5 IHBBRN CCCCCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000034701100 569247261 /nfs/dbraw/zinc/24/72/61/569247261.db2.gz BHDUSZXBTPGWFL-UHFFFAOYSA-N 0 0 447.605 3.689 40 5 IHBBRN COc1ccc(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000034910406 569248097 /nfs/dbraw/zinc/24/80/97/569248097.db2.gz TXAHTFFZMLDAKK-KRWDZBQOSA-N 0 0 445.472 3.652 40 5 IHBBRN Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C ZINC000009064795 569293419 /nfs/dbraw/zinc/29/34/19/569293419.db2.gz IQEDQBRHGJUDOF-UHFFFAOYSA-N 0 0 443.485 3.847 40 5 IHBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000009064659 569293430 /nfs/dbraw/zinc/29/34/30/569293430.db2.gz FJVOQNRFUNZMFU-UHFFFAOYSA-N 0 0 443.485 3.929 40 5 IHBBRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000010119897 569299328 /nfs/dbraw/zinc/29/93/28/569299328.db2.gz KVKOBBKTZYHGDA-UHFFFAOYSA-N 0 0 430.833 3.675 40 5 IHBBRN O=C(Nc1ccc(OCCN2CCOCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000225506507 569304979 /nfs/dbraw/zinc/30/49/79/569304979.db2.gz KREKQUKZPYGRKB-UHFFFAOYSA-N 0 0 439.512 3.756 40 5 IHBBRN CC[C@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260508255 569307041 /nfs/dbraw/zinc/30/70/41/569307041.db2.gz QHUFISSFCLLCDX-YLJYHZDGSA-N 0 0 447.557 3.585 40 5 IHBBRN C[C@@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000260935051 569312470 /nfs/dbraw/zinc/31/24/70/569312470.db2.gz OJUVNMMQBZKZPR-CVEARBPZSA-N 0 0 445.541 3.506 40 5 IHBBRN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000013399875 569315293 /nfs/dbraw/zinc/31/52/93/569315293.db2.gz ACODQRNBMSPJHN-UHFFFAOYSA-N 0 0 432.465 3.968 40 5 IHBBRN CCNc1nc(Nc2ccc(OC)cc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329069991 569322919 /nfs/dbraw/zinc/32/29/19/569322919.db2.gz ZCAVHJQXFCGBOS-UHFFFAOYSA-N 0 0 449.389 3.978 40 5 IHBBRN COc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])o2)cc1 ZINC000019929324 569332149 /nfs/dbraw/zinc/33/21/49/569332149.db2.gz RYMFQKAKOOQBNE-UHFFFAOYSA-N 0 0 444.469 3.913 40 5 IHBBRN CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])o2)c1 ZINC000019929255 569332174 /nfs/dbraw/zinc/33/21/74/569332174.db2.gz RLUBHEVNFWTIOC-UHFFFAOYSA-N 0 0 441.469 3.951 40 5 IHBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225549475 569403989 /nfs/dbraw/zinc/40/39/89/569403989.db2.gz LJKTYAIXDRQHCX-DEOSSOPVSA-N 0 0 445.519 3.832 40 5 IHBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000032125402 569460369 /nfs/dbraw/zinc/46/03/69/569460369.db2.gz TYANOELAKBPDTB-UHFFFAOYSA-N 0 0 428.514 3.967 40 5 IHBBRN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000329009100 569583443 /nfs/dbraw/zinc/58/34/43/569583443.db2.gz LVPZZLYTPHKCHV-KRWDZBQOSA-N 0 0 428.880 4.273 40 5 IHBBRN Cc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000022029450 525067159 /nfs/dbraw/zinc/06/71/59/525067159.db2.gz UCUGWTXIRPSVMD-UHFFFAOYSA-N 0 0 433.420 3.951 40 5 IHBBRN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1ccc(I)o1 ZINC000016385750 527091375 /nfs/dbraw/zinc/09/13/75/527091375.db2.gz KLKFJKNQMFJMPJ-IZZDOVSWSA-N 0 0 444.568 3.790 40 5 IHBBRN O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000408684441 556084169 /nfs/dbraw/zinc/08/41/69/556084169.db2.gz NIBKBCWMMODZPL-IRXDYDNUSA-N 0 0 439.855 3.757 40 5 IHBBRN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000219476286 556313002 /nfs/dbraw/zinc/31/30/02/556313002.db2.gz RIPURFRVUOZGQO-UHFFFAOYSA-N 0 0 437.477 3.972 40 5 IHBBRN O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Cl)cc2)cc1 ZINC000032640690 556412996 /nfs/dbraw/zinc/41/29/96/556412996.db2.gz OPAHJUDCDSPLFT-IRXDYDNUSA-N 0 0 437.930 3.523 40 5 IHBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000219752786 556581708 /nfs/dbraw/zinc/58/17/08/556581708.db2.gz IZHSKQQCQQYBBP-MRXNPFEDSA-N 0 0 444.296 3.693 40 5 IHBBRN Cc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408654994 556613476 /nfs/dbraw/zinc/61/34/76/556613476.db2.gz RCANHVUJGWENBY-UKRRQHHQSA-N 0 0 430.844 3.724 40 5 IHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408686002 556616110 /nfs/dbraw/zinc/61/61/10/556616110.db2.gz QVLYREFXBLNRAD-OALUTQOASA-N 0 0 441.871 3.981 40 5 IHBBRN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000409348854 556637653 /nfs/dbraw/zinc/63/76/53/556637653.db2.gz SWACACZPOBZTET-UHFFFAOYSA-N 0 0 427.486 3.824 40 5 IHBBRN CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCN=Cc2cc([N+](=O)[O-])ccc21 ZINC000073642471 556706808 /nfs/dbraw/zinc/70/68/08/556706808.db2.gz ATBCKJZMCZBWIY-UHFFFAOYSA-N 0 0 432.274 3.980 40 5 IHBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712603 556714745 /nfs/dbraw/zinc/71/47/45/556714745.db2.gz ZUSLCSLOHBFIIG-MRXNPFEDSA-N 0 0 425.894 3.740 40 5 IHBBRN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000408996932 556912472 /nfs/dbraw/zinc/91/24/72/556912472.db2.gz CBGGDFWLPZXTLU-NRFANRHFSA-N 0 0 448.431 3.721 40 5 IHBBRN CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409000378 556914281 /nfs/dbraw/zinc/91/42/81/556914281.db2.gz WCALBJLZTRMOME-FOIQADDNSA-N 0 0 428.441 3.662 40 5 IHBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000409185200 556990894 /nfs/dbraw/zinc/99/08/94/556990894.db2.gz UCYOIXAUGJUVFT-UHFFFAOYSA-N 0 0 449.554 3.641 40 5 IHBBRN CC[C@H](NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000220397382 557136158 /nfs/dbraw/zinc/13/61/58/557136158.db2.gz KRKFPKHXTDGTCI-PXNSSMCTSA-N 0 0 447.557 3.942 40 5 IHBBRN C[C@H](C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220415718 557149794 /nfs/dbraw/zinc/14/97/94/557149794.db2.gz YQWMKULGIUDNRK-JKSUJKDBSA-N 0 0 447.557 3.924 40 5 IHBBRN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1C ZINC000000787065 557175711 /nfs/dbraw/zinc/17/57/11/557175711.db2.gz YSSVEQKWJJZZPY-ZDUSSCGKSA-N 0 0 427.486 3.827 40 5 IHBBRN CC(C)C[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057671594 557257267 /nfs/dbraw/zinc/25/72/67/557257267.db2.gz BDMDXYMVYYQLCH-FQEVSTJZSA-N 0 0 441.561 3.601 40 5 IHBBRN COc1cc(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000219822213 557268750 /nfs/dbraw/zinc/26/87/50/557268750.db2.gz SDMVHLOIFGOROU-UHFFFAOYSA-N 0 0 427.457 3.683 40 5 IHBBRN Cc1c(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220025522 557277578 /nfs/dbraw/zinc/27/75/78/557277578.db2.gz UXDKADZKAXGQII-UHFFFAOYSA-N 0 0 432.285 3.615 40 5 IHBBRN CC(C)(C)OC(=O)NCCCC(=O)O[C@H](C(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000014982723 557334133 /nfs/dbraw/zinc/33/41/33/557334133.db2.gz RWDPHHHAJOLVBA-KRWDZBQOSA-N 0 0 438.477 3.826 40 5 IHBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000408575290 557419560 /nfs/dbraw/zinc/41/95/60/557419560.db2.gz IYXOINCSBFQLDV-UHFFFAOYSA-N 0 0 436.493 3.792 40 5 IHBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408575202 557419759 /nfs/dbraw/zinc/41/97/59/557419759.db2.gz SNYDOBWHAJYONQ-UHFFFAOYSA-N 0 0 441.484 3.521 40 5 IHBBRN COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408664752 557426884 /nfs/dbraw/zinc/42/68/84/557426884.db2.gz JXZRVQSFGRYLQS-UHFFFAOYSA-N 0 0 449.847 3.548 40 5 IHBBRN CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCCCC1 ZINC000026116292 557440341 /nfs/dbraw/zinc/44/03/41/557440341.db2.gz BKKJSVAXVLKSFX-UHFFFAOYSA-N 0 0 435.527 3.744 40 5 IHBBRN O=C(c1ccccc1)N(C(=O)c1ccccc1)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104336011 557454226 /nfs/dbraw/zinc/45/42/26/557454226.db2.gz LOLYHAROGGKYOP-UHFFFAOYSA-N 0 0 436.336 3.898 40 5 IHBBRN O=[N+]([O-])c1ccccc1CN1C[C@H](O)C[C@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000015675139 560095026 /nfs/dbraw/zinc/09/50/26/560095026.db2.gz LKXBEPOCSWGKBX-QAPCUYQASA-N 0 0 432.839 3.669 40 5 biogenic,in-vitro IHBBRN Cc1ccc(C)c([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000222377094 568639659 /nfs/dbraw/zinc/63/96/59/568639659.db2.gz QQTJGPNDGCBFSM-GOSISDBHSA-N 0 0 447.557 3.944 40 5 IHBBRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222519606 568650102 /nfs/dbraw/zinc/65/01/02/568650102.db2.gz DVLSPBVJCHCTIU-KRWDZBQOSA-N 0 0 425.894 3.740 40 5 IHBBRN CC[C@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222539483 568651702 /nfs/dbraw/zinc/65/17/02/568651702.db2.gz QHUFISSFCLLCDX-FXAWDEMLSA-N 0 0 447.557 3.585 40 5 IHBBRN Cc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1C ZINC000218364415 568742050 /nfs/dbraw/zinc/74/20/50/568742050.db2.gz IUEKTIRTDGPOPC-CYBMUJFWSA-N 0 0 425.894 3.658 40 5 IHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000218516005 568759631 /nfs/dbraw/zinc/75/96/31/568759631.db2.gz WISPCRBHXIUECC-UHFFFAOYSA-N 0 0 447.513 3.729 40 5 IHBBRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000001363558 568782147 /nfs/dbraw/zinc/78/21/47/568782147.db2.gz KMDAXCRPAMJXLW-CQSZACIVSA-N 0 0 448.888 3.867 40 5 IHBBRN CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006135594 568845042 /nfs/dbraw/zinc/84/50/42/568845042.db2.gz GHEDZNZVVPDLCT-UHFFFAOYSA-N 0 0 442.501 3.558 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000223596357 568875712 /nfs/dbraw/zinc/87/57/12/568875712.db2.gz OBXDWHUMKVJMGL-UHFFFAOYSA-N 0 0 430.486 3.729 40 5 IHBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccccc1Cl ZINC000016449259 568903092 /nfs/dbraw/zinc/90/30/92/568903092.db2.gz OOIWKIJVERGIRP-UHFFFAOYSA-N 0 0 439.324 3.739 40 5 IHBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000138645540 569093468 /nfs/dbraw/zinc/09/34/68/569093468.db2.gz QVONSIBMWGITTN-RTBURBONSA-N 0 0 441.871 3.981 40 5 IHBBRN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006878378 569094659 /nfs/dbraw/zinc/09/46/59/569094659.db2.gz ATCLMPRTZNPMRG-UHFFFAOYSA-N 0 0 443.485 3.525 40 5 IHBBRN O=C(CCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000139027595 569137712 /nfs/dbraw/zinc/13/77/12/569137712.db2.gz WODUQSNAJYLEJJ-UHFFFAOYSA-N 0 0 439.346 3.514 40 5 IHBBRN COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccco2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C ZINC000017057515 569171844 /nfs/dbraw/zinc/17/18/44/569171844.db2.gz YGZNELVIXLJXGW-GQOCTPOGSA-N 0 0 447.447 3.572 40 5 IHBBRN CCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000017083385 569172271 /nfs/dbraw/zinc/17/22/71/569172271.db2.gz XGVLUFWTMXQEJW-IBGZPJMESA-N 0 0 433.258 3.575 40 5 IHBBRN CCc1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000017095902 569172480 /nfs/dbraw/zinc/17/24/80/569172480.db2.gz VEGDWVVIWTXVKU-UHFFFAOYSA-N 0 0 428.514 3.980 40 5 IHBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000017096437 569172505 /nfs/dbraw/zinc/17/25/05/569172505.db2.gz ORQULPHWYNHLAR-UHFFFAOYSA-N 0 0 429.458 3.538 40 5 IHBBRN CCOc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000017095802 569172816 /nfs/dbraw/zinc/17/28/16/569172816.db2.gz BPOHAZAUXWHKFC-UHFFFAOYSA-N 0 0 428.470 3.692 40 5 IHBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC000017097227 569172960 /nfs/dbraw/zinc/17/29/60/569172960.db2.gz OVXSNIGUHRCLAI-UHFFFAOYSA-N 0 0 430.892 3.949 40 5 IHBBRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000017099477 569173433 /nfs/dbraw/zinc/17/34/33/569173433.db2.gz ZHYFXQVHUIWGKF-UHFFFAOYSA-N 0 0 435.436 3.779 40 5 IHBBRN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)CC1 ZINC000017101087 569173696 /nfs/dbraw/zinc/17/36/96/569173696.db2.gz AQMIWDRBXOFKIB-UHFFFAOYSA-N 0 0 437.283 3.822 40 5 IHBBRN O=C(NC(=S)Nc1cccc2ccccc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000017100217 569173892 /nfs/dbraw/zinc/17/38/92/569173892.db2.gz XLCBGXDAEQPYCQ-UHFFFAOYSA-N 0 0 436.493 3.711 40 5 IHBBRN COC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224745356 569184718 /nfs/dbraw/zinc/18/47/18/569184718.db2.gz NSTZFFWHDFUWJS-UHFFFAOYSA-N 0 0 442.449 3.755 40 5 IHBBRN COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224759023 569185261 /nfs/dbraw/zinc/18/52/61/569185261.db2.gz OETQFUSWWDDWST-UHFFFAOYSA-N 0 0 426.450 3.630 40 5 IHBBRN CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000224885392 569190419 /nfs/dbraw/zinc/19/04/19/569190419.db2.gz KAGQEBOGNWEQST-UHFFFAOYSA-N 0 0 429.292 3.890 40 5 IHBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224940168 569194056 /nfs/dbraw/zinc/19/40/56/569194056.db2.gz BLUAFVKIRAJONR-UHFFFAOYSA-N 0 0 447.296 3.968 40 5 IHBBRN CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225025445 569213736 /nfs/dbraw/zinc/21/37/36/569213736.db2.gz QBYWUZQYNHAJAW-UHFFFAOYSA-N 0 0 433.269 3.660 40 5 IHBBRN CCOC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225089235 569215601 /nfs/dbraw/zinc/21/56/01/569215601.db2.gz FARXQQBNMHZQSW-UHFFFAOYSA-N 0 0 447.296 3.968 40 5 IHBBRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nn12 ZINC000033596525 569244836 /nfs/dbraw/zinc/24/48/36/569244836.db2.gz XXWBZNJIQQMHJD-UHFFFAOYSA-N 0 0 438.469 3.649 40 5 IHBBRN Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000108052373 569252235 /nfs/dbraw/zinc/25/22/35/569252235.db2.gz IFRCKBJSXDCVMY-SNVBAGLBSA-N 0 0 432.285 3.516 40 5 IHBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000108952168 569253288 /nfs/dbraw/zinc/25/32/88/569253288.db2.gz QTZMUYQSULNINL-LZYBPNLTSA-N 0 0 447.856 3.932 40 5 IHBBRN Cc1cc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)ccc1Cl ZINC000009059448 569293289 /nfs/dbraw/zinc/29/32/89/569293289.db2.gz BAWRMENEMZKMQP-UHFFFAOYSA-N 0 0 447.904 3.995 40 5 IHBBRN Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1cccc2ccccc21)S(C)(=O)=O ZINC000260840393 569311904 /nfs/dbraw/zinc/31/19/04/569311904.db2.gz UTSVZYIOGNQKSF-MRXNPFEDSA-N 0 0 441.509 3.527 40 5 IHBBRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000019631106 569324054 /nfs/dbraw/zinc/32/40/54/569324054.db2.gz GRXUUIILWZNIKG-UHFFFAOYSA-N 0 0 440.275 3.501 40 5 IHBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1Br ZINC000021123949 569376948 /nfs/dbraw/zinc/37/69/48/569376948.db2.gz RLUJDNLJEXXAEM-UHFFFAOYSA-N 0 0 426.179 3.535 40 5 IHBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225549445 569403991 /nfs/dbraw/zinc/40/39/91/569403991.db2.gz LJKTYAIXDRQHCX-XMMPIXPASA-N 0 0 445.519 3.832 40 5 IHBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225644812 569406288 /nfs/dbraw/zinc/40/62/88/569406288.db2.gz SUPGPICOCHSPRA-UZLBHIALSA-N 0 0 429.492 3.999 40 5 IHBBRN Cc1ccc(C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1[N+](=O)[O-] ZINC000217944817 569455113 /nfs/dbraw/zinc/45/51/13/569455113.db2.gz RITPMSGQOTZGCY-UHFFFAOYSA-N 0 0 431.246 3.988 40 5 IHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(NC(C)=O)cc1 ZINC000059099183 569458946 /nfs/dbraw/zinc/45/89/46/569458946.db2.gz DQZCPVUVZFLADI-UHFFFAOYSA-N 0 0 440.485 3.562 40 5 IHBBRN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000032127236 569460388 /nfs/dbraw/zinc/46/03/88/569460388.db2.gz YWJZRQHSKZCVGA-UHFFFAOYSA-N 0 0 430.892 3.805 40 5 IHBBRN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccnc2)n1 ZINC000329046114 569583431 /nfs/dbraw/zinc/58/34/31/569583431.db2.gz UAEVAAQVWXOIKC-KRWDZBQOSA-N 0 0 428.880 4.273 40 5 IHBBRN