smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000008059158 204260886 /nfs/dbraw/zinc/26/08/86/204260886.db2.gz QAZDYPNQNFQVHU-GFCCVEGCSA-N 0 0 380.422 2.960 40 5 GFBBRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000008225322 204266613 /nfs/dbraw/zinc/26/66/13/204266613.db2.gz DHFOXYDQFFORPS-LBPRGKRZSA-N 0 0 378.406 2.714 40 5 GFBBRN CCN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1)S(C)(=O)=O ZINC000010008612 204329480 /nfs/dbraw/zinc/32/94/80/204329480.db2.gz SBNPCOJGKZVOBN-UHFFFAOYSA-N 0 0 377.422 2.941 40 5 GFBBRN O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nnc(-c3cccc(Cl)c3)n12 ZINC000013547100 204494737 /nfs/dbraw/zinc/49/47/37/204494737.db2.gz RSLRISXBIXNNRB-ZSOIEALJSA-N 0 0 384.804 2.927 40 5 GFBBRN Cc1ccc(S(=O)(=O)NCCCN2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000013612850 204498396 /nfs/dbraw/zinc/49/83/96/204498396.db2.gz VXRMTLGHGVHSOK-UHFFFAOYSA-N 0 0 375.450 2.634 40 5 GFBBRN CCc1nnc(-n2ccc3nc4ccn(-c5ccc(C)cc5)c(=O)c4cc3c2=O)[nH]1 ZINC000040399129 205064495 /nfs/dbraw/zinc/06/44/95/205064495.db2.gz UGRNAINSMGEPDJ-UHFFFAOYSA-N 0 0 398.426 2.679 40 5 GFBBRN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000220450710 205970807 /nfs/dbraw/zinc/97/08/07/205970807.db2.gz YOKOTUDKYGZSFV-JTQLQIEISA-N 0 0 399.375 2.666 40 5 GFBBRN CCCC[C@@H](CC)CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223775015 206005558 /nfs/dbraw/zinc/00/55/58/206005558.db2.gz UEBPINMFWUNYBT-CQSZACIVSA-N 0 0 385.486 2.693 40 5 GFBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223968275 206010308 /nfs/dbraw/zinc/01/03/08/206010308.db2.gz ITIQMTSZGWHGSJ-OAHLLOKOSA-N 0 0 399.447 2.699 40 5 GFBBRN COC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225033413 206034634 /nfs/dbraw/zinc/03/46/34/206034634.db2.gz MFVPABPSTHFZSC-UHFFFAOYSA-N 0 0 392.433 2.888 40 5 GFBBRN CN(C)C(=O)NC[C@H]1CC2(CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)O1 ZINC000306124789 206197594 /nfs/dbraw/zinc/19/75/94/206197594.db2.gz BZORYGVCDPTXHC-OAHLLOKOSA-N 0 0 396.875 2.643 40 5 GFBBRN Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000006265998 136196796 /nfs/dbraw/zinc/19/67/96/136196796.db2.gz ARRVUPMQXQJSPX-UHFFFAOYSA-N 0 0 386.364 2.900 40 5 GFBBRN COc1ccc(NC(=O)CSCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000409171185 534086734 /nfs/dbraw/zinc/08/67/34/534086734.db2.gz ZFGCDZMYSWSMNU-UHFFFAOYSA-N 0 0 375.406 2.914 40 5 GFBBRN CCNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC ZINC000408696727 528375555 /nfs/dbraw/zinc/37/55/55/528375555.db2.gz DUJRONIIYQOFTK-UHFFFAOYSA-N 0 0 393.421 2.544 40 5 GFBBRN CN(c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)S(C)(=O)=O ZINC000408575727 563559916 /nfs/dbraw/zinc/55/99/16/563559916.db2.gz PYSBNEOBSPKXAL-UHFFFAOYSA-N 0 0 383.813 2.896 40 5 GFBBRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220473900 570247534 /nfs/dbraw/zinc/24/75/34/570247534.db2.gz NZFLMRHYJSAFHD-LLVKDONJSA-N 0 0 381.385 2.527 40 5 GFBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001505432 570250154 /nfs/dbraw/zinc/25/01/54/570250154.db2.gz GYZACFKUDDSDSA-UHFFFAOYSA-N 0 0 375.406 2.632 40 5 GFBBRN Cc1ccc(NC(=O)C[C@@H]2C(=O)OCCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000014165423 570294024 /nfs/dbraw/zinc/29/40/24/570294024.db2.gz OPNMBXBOZLTVMN-QGZVFWFLSA-N 0 0 375.425 2.792 40 5 GFBBRN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000026563617 570473173 /nfs/dbraw/zinc/47/31/73/570473173.db2.gz BSQFNJWMZPCBAJ-UHFFFAOYSA-N 0 0 379.731 2.751 40 5 GFBBRN COC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113875151 655215382 /nfs/dbraw/zinc/21/53/82/655215382.db2.gz KYRRFEHEMRTNCV-UHFFFAOYSA-N 0 0 384.797 2.617 40 5 GFBBRN C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)C(=O)c1ccccc1 ZINC000408637172 231090148 /nfs/dbraw/zinc/09/01/48/231090148.db2.gz GLKOWNUSCZMOPR-ZFWWWQNUSA-N 0 0 382.372 2.762 40 5 GFBBRN C[C@H](OC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)C(=O)c1ccccc1 ZINC000408640398 231090410 /nfs/dbraw/zinc/09/04/10/231090410.db2.gz AXJHJECDVQZANY-ZFWWWQNUSA-N 0 0 382.372 2.762 40 5 GFBBRN O=C(CCNC(=O)OCc1ccccc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408739347 231109626 /nfs/dbraw/zinc/10/96/26/231109626.db2.gz ZNWKBIFZGJSVPE-UHFFFAOYSA-N 0 0 386.360 2.637 40 5 GFBBRN CN(c1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1)S(C)(=O)=O ZINC000409148214 530035527 /nfs/dbraw/zinc/03/55/27/530035527.db2.gz PADFMQHCRNLYIZ-DHZHZOJOSA-N 0 0 375.406 2.643 40 5 GFBBRN Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)c1 ZINC000007759103 204249232 /nfs/dbraw/zinc/24/92/32/204249232.db2.gz JISXCJHRWGZVHU-UHFFFAOYSA-N 0 0 388.405 2.774 40 5 GFBBRN Cc1c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000044880057 205088128 /nfs/dbraw/zinc/08/81/28/205088128.db2.gz WWKUDOKMIDPSAR-UHFFFAOYSA-N 0 0 375.406 2.831 40 5 GFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000008782764 205823830 /nfs/dbraw/zinc/82/38/30/205823830.db2.gz IALVUSNFUZDJPD-UHFFFAOYSA-N 0 0 397.840 2.961 40 5 GFBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000223772093 206005316 /nfs/dbraw/zinc/00/53/16/206005316.db2.gz XQGALGCKXXJMAY-UHFFFAOYSA-N 0 0 388.405 2.774 40 5 GFBBRN CCOC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000224760553 206027639 /nfs/dbraw/zinc/02/76/39/206027639.db2.gz VFCGVXVGOMGSGH-UHFFFAOYSA-N 0 0 378.406 2.905 40 5 GFBBRN CC[C@H](C(=O)N[C@@H](C)C(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225226639 206042269 /nfs/dbraw/zinc/04/22/69/206042269.db2.gz ZJWFOXHEBYPDPF-DZGCQCFKSA-N 0 0 385.486 2.609 40 5 GFBBRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225380951 206044723 /nfs/dbraw/zinc/04/47/23/206044723.db2.gz VDQXRYPZZGESHW-ZDUSSCGKSA-N 0 0 389.839 2.954 40 5 GFBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2OC)C1=O ZINC000409016966 527957900 /nfs/dbraw/zinc/95/79/00/527957900.db2.gz UNCSDVWWZVYZGX-ITTMYVLYSA-N 0 0 380.378 2.591 40 5 GFBBRN CCNC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1C ZINC000408608768 528228767 /nfs/dbraw/zinc/22/87/67/528228767.db2.gz SFSZQGCVXVDRJH-UHFFFAOYSA-N 0 0 377.422 2.762 40 5 GFBBRN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000408648358 528545955 /nfs/dbraw/zinc/54/59/55/528545955.db2.gz XXQOKPLLUYOXIV-ZDUSSCGKSA-N 0 0 399.403 2.994 40 5 GFBBRN CN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)S(C)(=O)=O ZINC000218332539 553053425 /nfs/dbraw/zinc/05/34/25/553053425.db2.gz OXYMVJOCOXABQF-UHFFFAOYSA-N 0 0 383.813 2.896 40 5 GFBBRN COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc(OC)c1OC ZINC000001509003 570250817 /nfs/dbraw/zinc/25/08/17/570250817.db2.gz TZESJYBUKGDHID-ZSOIEALJSA-N 0 0 384.344 2.965 40 5 GFBBRN O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccccc1[N+](=O)[O-] ZINC000005866896 570798089 /nfs/dbraw/zinc/79/80/89/570798089.db2.gz HSTLIWMUNJJLMG-MRXNPFEDSA-N 0 0 391.177 2.770 40 5 GFBBRN Cc1c(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220087502 570884787 /nfs/dbraw/zinc/88/47/87/570884787.db2.gz KVZKEBNHFAAYCN-UHFFFAOYSA-N 0 0 399.375 2.586 40 5 GFBBRN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3C)ccc21 ZINC000153352717 570986799 /nfs/dbraw/zinc/98/67/99/570986799.db2.gz LAYKTMQVTNARTA-UHFFFAOYSA-N 0 0 375.406 2.613 40 5 GFBBRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408703834 231099655 /nfs/dbraw/zinc/09/96/55/231099655.db2.gz YYNTYWBFNYSPGW-UHFFFAOYSA-N 0 0 377.422 2.941 40 5 GFBBRN Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C ZINC000409262821 231188382 /nfs/dbraw/zinc/18/83/82/231188382.db2.gz IZGHFGIOYZDCMA-UHFFFAOYSA-N 0 0 391.449 2.925 40 5 GFBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007708186 204247494 /nfs/dbraw/zinc/24/74/94/204247494.db2.gz KFUICBZPJDZXCG-UHFFFAOYSA-N 0 0 375.406 2.831 40 5 GFBBRN Cc1cccc(-c2noc(CNC(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)c1 ZINC000022257217 204776977 /nfs/dbraw/zinc/77/69/77/204776977.db2.gz NPUXLGPYQRKLCD-UHFFFAOYSA-N 0 0 382.376 2.957 40 5 GFBBRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000044949524 205091618 /nfs/dbraw/zinc/09/16/18/205091618.db2.gz IRLRNRJPBAIQLP-UHFFFAOYSA-N 0 0 393.421 2.542 40 5 GFBBRN COc1ccc(OC)c(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000063765036 205187430 /nfs/dbraw/zinc/18/74/30/205187430.db2.gz WMJNOUDSZKOCMW-UHFFFAOYSA-N 0 0 380.422 2.741 40 5 GFBBRN COc1cc(OCC(=O)Nc2ccccc2C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000066021904 205239352 /nfs/dbraw/zinc/23/93/52/205239352.db2.gz OVAZYJXXLCNSLA-UHFFFAOYSA-N 0 0 387.392 2.759 40 5 GFBBRN CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000218225446 205945759 /nfs/dbraw/zinc/94/57/59/205945759.db2.gz ABCOEQXBYIJXLC-UHFFFAOYSA-N 0 0 383.813 2.653 40 5 GFBBRN CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224755034 206027427 /nfs/dbraw/zinc/02/74/27/206027427.db2.gz KUKHNHOEXOUSCI-UHFFFAOYSA-N 0 0 381.366 2.727 40 5 GFBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cccs1 ZINC000225137042 206039397 /nfs/dbraw/zinc/03/93/97/206039397.db2.gz YPRVUNWYJLCKLT-UHFFFAOYSA-N 0 0 384.435 2.723 40 5 GFBBRN NC(=O)COc1ccc(Br)cc1CNc1cccc([N+](=O)[O-])c1 ZINC000408554480 534336036 /nfs/dbraw/zinc/33/60/36/534336036.db2.gz CYPHOYCTFALTFE-UHFFFAOYSA-N 0 0 380.198 2.834 40 5 GFBBRN CC[NH+](CC)CCC[C@H](C)n1c2ccc(Cl)cc2nc2c(=O)[n-]c(=O)nc1-2 ZINC000001670970 570266935 /nfs/dbraw/zinc/26/69/35/570266935.db2.gz XTRPGNLBZMRDGL-LBPRGKRZSA-N 0 0 389.887 2.921 40 5 GFBBRN CCc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000220025420 570604231 /nfs/dbraw/zinc/60/42/31/570604231.db2.gz WZZDXHWSQSRQEF-UHFFFAOYSA-N 0 0 391.449 2.870 40 5 GFBBRN Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000004895346 570637036 /nfs/dbraw/zinc/63/70/36/570637036.db2.gz OPSYQBRDPFHMHG-UHFFFAOYSA-N 0 0 394.435 2.924 40 5 GFBBRN Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3ccc([N+](=O)[O-])cc3cc-2c1=O ZINC000059497835 570659017 /nfs/dbraw/zinc/65/90/17/570659017.db2.gz ROJHTLHBHWQNOT-UHFFFAOYSA-N 0 0 382.763 2.751 40 5 GFBBRN Cc1ccc(C)c(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)n(C)c(=O)nc2-3)c1 ZINC000059497830 570659060 /nfs/dbraw/zinc/65/90/60/570659060.db2.gz NNVSKFCNMPWWSN-UHFFFAOYSA-N 0 0 376.372 2.714 40 5 GFBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1C(=O)OCCN1Cc1ccccc1 ZINC000013636800 570663452 /nfs/dbraw/zinc/66/34/52/570663452.db2.gz WWVCNQWYLWQBTF-GOSISDBHSA-N 0 0 383.404 2.659 40 5 GFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C ZINC000222432821 570740517 /nfs/dbraw/zinc/74/05/17/570740517.db2.gz JHXUGFWICJEIOK-UHFFFAOYSA-N 0 0 393.421 2.560 40 5 GFBBRN C[C@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12 ZINC000101359598 570820984 /nfs/dbraw/zinc/82/09/84/570820984.db2.gz CMMXSEOCUPJBKC-HMEQZMJYSA-N 0 0 393.193 2.580 40 5 GFBBRN O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O)N1CCCC1 ZINC000205871163 571029819 /nfs/dbraw/zinc/02/98/19/571029819.db2.gz XMSGGTFYKZIYPD-YZBXHJMWSA-N 0 0 387.417 2.810 40 5 GFBBRN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000408622732 231084551 /nfs/dbraw/zinc/08/45/51/231084551.db2.gz RGDMJDJGDIFTTH-UHFFFAOYSA-N 0 0 390.327 2.731 40 5 GFBBRN Cc1cc(C)cc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000409028297 231149076 /nfs/dbraw/zinc/14/90/76/231149076.db2.gz LIMNUUAYLJISRL-UHFFFAOYSA-N 0 0 377.422 2.616 40 5 GFBBRN Cc1cccnc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000409140787 231171090 /nfs/dbraw/zinc/17/10/90/231171090.db2.gz FTCKKMKLTHLWQK-UHFFFAOYSA-N 0 0 384.421 2.825 40 5 GFBBRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223551049 222635601 /nfs/dbraw/zinc/63/56/01/222635601.db2.gz PWCAUNFMQNNQAS-INIZCTEOSA-N 0 0 383.448 2.999 40 5 GFBBRN CCCNC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000146708272 205702787 /nfs/dbraw/zinc/70/27/87/205702787.db2.gz HVUNOYKZAXSUEG-UHFFFAOYSA-N 0 0 387.392 2.761 40 5 GFBBRN CCc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000008729478 205824258 /nfs/dbraw/zinc/82/42/58/205824258.db2.gz DRPQBQNJTUWBBM-UHFFFAOYSA-N 0 0 378.406 2.526 40 5 GFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(-c3ccccc3)nn21 ZINC000010153379 205831080 /nfs/dbraw/zinc/83/10/80/205831080.db2.gz NPKJALPMYLUYNH-HNNXBMFYSA-N 0 0 392.375 2.684 40 5 GFBBRN Cc1cc(C)cc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000220022776 205967045 /nfs/dbraw/zinc/96/70/45/205967045.db2.gz VGQRZAWENIIVBR-UHFFFAOYSA-N 0 0 391.449 2.925 40 5 GFBBRN CCOC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224743040 206026855 /nfs/dbraw/zinc/02/68/55/206026855.db2.gz ZTOWTWFZRDZQOS-UHFFFAOYSA-N 0 0 392.433 2.970 40 5 GFBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(F)cc1 ZINC000224918663 206031104 /nfs/dbraw/zinc/03/11/04/206031104.db2.gz MUHBHKGGKMKBLW-UHFFFAOYSA-N 0 0 396.396 2.801 40 5 GFBBRN COC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225005211 206031816 /nfs/dbraw/zinc/03/18/16/206031816.db2.gz OSWOCPVAPFVRQO-UHFFFAOYSA-N 0 0 398.824 2.925 40 5 GFBBRN CCc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225026502 206033651 /nfs/dbraw/zinc/03/36/51/206033651.db2.gz BHIMXGNFRVTQNE-UHFFFAOYSA-N 0 0 378.406 2.526 40 5 GFBBRN COC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225017056 206033741 /nfs/dbraw/zinc/03/37/41/206033741.db2.gz GIWQHBVGQXEVDN-UHFFFAOYSA-N 0 0 378.406 2.580 40 5 GFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)N[C@@H](C)c2ccccc2)CC1=O ZINC000408639918 533136325 /nfs/dbraw/zinc/13/63/25/533136325.db2.gz HMPDNVVYPBFQRU-DZGCQCFKSA-N 0 0 383.404 2.834 40 5 GFBBRN COc1ccc(NC(=S)NC(=O)COc2ccccc2C)cc1[N+](=O)[O-] ZINC000408624837 534180143 /nfs/dbraw/zinc/18/01/43/534180143.db2.gz CKWRVDHXRMPXBD-UHFFFAOYSA-N 0 0 375.406 2.804 40 5 GFBBRN COc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 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534223302 /nfs/dbraw/zinc/22/33/02/534223302.db2.gz DCYZAUFJYQKOOQ-UHFFFAOYSA-N 0 0 388.405 2.774 40 5 GFBBRN Cc1cccc(C)c1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000409255335 534673445 /nfs/dbraw/zinc/67/34/45/534673445.db2.gz JOACGOGVWKKZJO-UHFFFAOYSA-N 0 0 391.449 2.925 40 5 GFBBRN CCN(CC)c1cc2c(cc1NC(=O)c1ccccc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000408526506 528291527 /nfs/dbraw/zinc/29/15/27/528291527.db2.gz CGLVQZNBCGQGBU-UHFFFAOYSA-N 0 0 397.435 2.884 40 5 GFBBRN COC(=O)c1ccc(Cl)c(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000224758615 553057838 /nfs/dbraw/zinc/05/78/38/553057838.db2.gz IGKKHTKTQAZFKH-UHFFFAOYSA-N 0 0 384.797 2.860 40 5 GFBBRN O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)cc1 ZINC000015674630 560231033 /nfs/dbraw/zinc/23/10/33/560231033.db2.gz AXIRTDFJXISNRH-MSOLQXFVSA-N 0 0 380.404 2.877 40 5 biogenic,in-vitro GFBBRN Cc1ccc(C(=O)NC2CCN(CC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000004909043 570359906 /nfs/dbraw/zinc/35/99/06/570359906.db2.gz 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532975351 /nfs/dbraw/zinc/97/53/51/532975351.db2.gz DCEVVUDZESSWSH-ZDUSSCGKSA-N 0 0 399.403 2.912 40 5 GFBBRN COc1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1 ZINC000019866633 210305064 /nfs/dbraw/zinc/30/50/64/210305064.db2.gz RPMUGZKACBVGIS-UHFFFAOYSA-N 0 0 385.420 2.570 40 5 GFBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000408562851 534628050 /nfs/dbraw/zinc/62/80/50/534628050.db2.gz FIKFPWRUEHRMJG-DOMZBBRYSA-N 0 0 387.314 2.613 40 5 GFBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000408628889 534780794 /nfs/dbraw/zinc/78/07/94/534780794.db2.gz XPOPKTVELXTHKZ-UHFFFAOYSA-N 0 0 395.238 2.989 40 5 GFBBRN CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1[N+](=O)[O-] ZINC000006554560 528407925 /nfs/dbraw/zinc/40/79/25/528407925.db2.gz RTINDQVCWKJGHU-UHFFFAOYSA-N 0 0 375.406 2.895 40 5 GFBBRN CCOc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1OC ZINC000408568203 528601155 /nfs/dbraw/zinc/60/11/55/528601155.db2.gz SHRGXUQIEZXQDK-ZKYUUJBMSA-N 0 0 397.431 2.616 40 5 GFBBRN COC(=O)c1cc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000225036866 553058104 /nfs/dbraw/zinc/05/81/04/553058104.db2.gz CFBBBAWJCLJTKS-UHFFFAOYSA-N 0 0 384.797 2.860 40 5 GFBBRN Cc1c(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220028805 570380560 /nfs/dbraw/zinc/38/05/60/570380560.db2.gz SIQJEXHMWGPWKV-UHFFFAOYSA-N 0 0 399.375 2.586 40 5 GFBBRN Cc1c(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220023372 570380579 /nfs/dbraw/zinc/38/05/79/570380579.db2.gz DSZRZQHUSKNBJU-UHFFFAOYSA-N 0 0 397.840 2.961 40 5 GFBBRN CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000014830781 570899241 /nfs/dbraw/zinc/89/92/41/570899241.db2.gz KLKBJGNOVMUGBM-UHFFFAOYSA-N 0 0 399.403 2.860 40 5 GFBBRN CCc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224775724 570967564 /nfs/dbraw/zinc/96/75/64/570967564.db2.gz IANGLTXNPNHJDI-UHFFFAOYSA-N 0 0 392.433 2.834 40 5 GFBBRN COC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000224781232 570970718 /nfs/dbraw/zinc/97/07/18/570970718.db2.gz UWKBDQPTDUEHCU-UHFFFAOYSA-N 0 0 378.406 2.823 40 5 GFBBRN O=C(CCNC(=O)OCc1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409001631 231146119 /nfs/dbraw/zinc/14/61/19/231146119.db2.gz JTTLFOJGCOYHHA-UHFFFAOYSA-N 0 0 386.360 2.637 40 5 GFBBRN COC(=O)[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2O1 ZINC000225989931 211937872 /nfs/dbraw/zinc/93/78/72/211937872.db2.gz UUKQMYORIOHNBL-KRWDZBQOSA-N 0 0 382.372 2.594 40 5 GFBBRN CCOC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113884796 211468768 /nfs/dbraw/zinc/46/87/68/211468768.db2.gz OUCLTDPHGRAONL-UHFFFAOYSA-N 0 0 392.433 2.916 40 5 GFBBRN COc1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000006249618 532976081 /nfs/dbraw/zinc/97/60/81/532976081.db2.gz VYXBCCKXFSVEED-UHFFFAOYSA-N 0 0 387.392 2.701 40 5 GFBBRN O=C(COc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611893 210351877 /nfs/dbraw/zinc/35/18/77/210351877.db2.gz AQJVHUCUIWPKDS-UHFFFAOYSA-N 0 0 375.356 2.588 40 5 GFBBRN COc1ccc(Cl)cc1C(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1 ZINC000408628369 533836749 /nfs/dbraw/zinc/83/67/49/533836749.db2.gz RXCUNPBRRWKEGP-UHFFFAOYSA-N 0 0 380.813 2.888 40 5 GFBBRN NC(=O)COc1ccc(Br)cc1CNc1ccc([N+](=O)[O-])cc1 ZINC000408606506 534337188 /nfs/dbraw/zinc/33/71/88/534337188.db2.gz IGZMIEGNZPXYGI-UHFFFAOYSA-N 0 0 380.198 2.834 40 5 GFBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000408562853 534627723 /nfs/dbraw/zinc/62/77/23/534627723.db2.gz FIKFPWRUEHRMJG-IUODEOHRSA-N 0 0 387.314 2.613 40 5 GFBBRN COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCN(C)C2 ZINC000408572796 570384308 /nfs/dbraw/zinc/38/43/08/570384308.db2.gz AAZYSYXWOKVKOQ-UHFFFAOYSA-N 0 0 375.406 2.683 40 5 GFBBRN O=C1N/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccccc1F ZINC000409106986 570700102 /nfs/dbraw/zinc/70/01/02/570700102.db2.gz PLNHVSFVPFIMEB-ACAGNQJTSA-N 0 0 385.307 2.556 40 5 GFBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O ZINC000205706735 570915753 /nfs/dbraw/zinc/91/57/53/570915753.db2.gz BMAAHMHVYLNMSS-NTUHNPAUSA-N 0 0 380.378 2.591 40 5 GFBBRN COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000217897185 222582855 /nfs/dbraw/zinc/58/28/55/222582855.db2.gz MQJSAYNMZNILEI-NYYWCZLTSA-N 0 0 380.360 2.983 40 5 GFBBRN Cc1nn(C)c(C)c1N1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O ZINC000408973318 231138738 /nfs/dbraw/zinc/13/87/38/231138738.db2.gz ANBVTTZKDIRURD-UHFFFAOYSA-N 0 0 395.331 2.807 40 5 GFBBRN O=[N+]([O-])c1nc(Sc2nnnn2-c2ccccc2)n(Cc2ccccc2F)n1 ZINC000001443290 212244619 /nfs/dbraw/zinc/24/46/19/212244619.db2.gz MPRAYKOEJWIAJD-UHFFFAOYSA-N 0 0 398.383 2.501 40 5 GFBBRN Cc1c(Nc2cc(C(F)(F)F)nc(N[C@@H](CO)C(C)C)n2)cccc1[N+](=O)[O-] ZINC000329016884 212094140 /nfs/dbraw/zinc/09/41/40/212094140.db2.gz NJSJIFWTEBXIID-LBPRGKRZSA-N 0 0 399.373 2.728 40 5 GFBBRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)n1 ZINC000329004847 212092156 /nfs/dbraw/zinc/09/21/56/212092156.db2.gz KVEBWUYAKOFPLF-GFCCVEGCSA-N 0 0 385.346 2.998 40 5 GFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)NC2CCC(C)CC2)CC1=O ZINC000408637859 533136312 /nfs/dbraw/zinc/13/63/12/533136312.db2.gz ALJPIORNLYSZTE-ROKHWSDSSA-N 0 0 375.425 2.651 40 5 GFBBRN COC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000008729459 221052734 /nfs/dbraw/zinc/05/27/34/221052734.db2.gz UDSUQZPESATXGT-UHFFFAOYSA-N 0 0 398.824 2.925 40 5 GFBBRN COc1cc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000012943461 221249004 /nfs/dbraw/zinc/24/90/04/221249004.db2.gz FEHMWJLVTBFGNU-SGMGOOAPSA-N 0 0 394.424 2.852 40 5 GFBBRN COc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000013631811 221278195 /nfs/dbraw/zinc/27/81/95/221278195.db2.gz GIAMWDOMWNQLED-UHFFFAOYSA-N 0 0 380.422 2.869 40 5 GFBBRN CCOc1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OCC ZINC000014233840 221305836 /nfs/dbraw/zinc/30/58/36/221305836.db2.gz JRGBYKXJMUSKTO-UHFFFAOYSA-N 0 0 380.422 2.871 40 5 GFBBRN Cc1cc(C)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 ZINC000022390035 221559320 /nfs/dbraw/zinc/55/93/20/221559320.db2.gz DNAJLGGDMRCSQN-UHFFFAOYSA-N 0 0 391.449 2.925 40 5 GFBBRN Cc1c(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000219717002 570887527 /nfs/dbraw/zinc/88/75/27/570887527.db2.gz QWZBDBGOYTXWHK-UHFFFAOYSA-N 0 0 391.449 2.943 40 5 GFBBRN CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224782480 570970776 /nfs/dbraw/zinc/97/07/76/570970776.db2.gz QOVOHVOKVWKCCE-UHFFFAOYSA-N 0 0 378.406 2.890 40 5 GFBBRN COC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113874608 655215447 /nfs/dbraw/zinc/21/54/47/655215447.db2.gz JNYUAZUXYODDIG-UHFFFAOYSA-N 0 0 384.797 2.617 40 5 GFBBRN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017079591 230897810 /nfs/dbraw/zinc/89/78/10/230897810.db2.gz SEMXRSCRVSADJM-UHFFFAOYSA-N 0 0 390.327 2.731 40 5 GFBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)N1CCCC1 ZINC000106765935 231019496 /nfs/dbraw/zinc/01/94/96/231019496.db2.gz SJMLMRVYMQDOJU-JYRVWZFOSA-N 0 0 395.824 2.907 40 5 GFBBRN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408552652 231057844 /nfs/dbraw/zinc/05/78/44/231057844.db2.gz MMUKFTRSZTXAOL-CYBMUJFWSA-N 0 0 377.422 2.517 40 5 GFBBRN Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C ZINC000409025642 231148949 /nfs/dbraw/zinc/14/89/49/231148949.db2.gz VMNZIVRDFMGZPC-UHFFFAOYSA-N 0 0 377.422 2.616 40 5 GFBBRN CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225090657 222669352 /nfs/dbraw/zinc/66/93/52/222669352.db2.gz MMCBVBQELCGITJ-UHFFFAOYSA-N 0 0 378.406 2.905 40 5 GFBBRN Cc1c(Nc2cc(-c3ccccc3)nc(N[C@H](C)CO)n2)cccc1[N+](=O)[O-] ZINC000328960053 212090978 /nfs/dbraw/zinc/09/09/78/212090978.db2.gz AWNODCRJEFCBSG-CYBMUJFWSA-N 0 0 379.420 2.740 40 5 GFBBRN COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000408638730 532974188 /nfs/dbraw/zinc/97/41/88/532974188.db2.gz DCEVVUDZESSWSH-CYBMUJFWSA-N 0 0 399.403 2.912 40 5 GFBBRN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000006707233 220952695 /nfs/dbraw/zinc/95/26/95/220952695.db2.gz ODQYHTJJOVVNAJ-LBPRGKRZSA-N 0 0 377.422 2.924 40 5 GFBBRN CCN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1)S(C)(=O)=O ZINC000010008589 221095254 /nfs/dbraw/zinc/09/52/54/221095254.db2.gz WGWNFICZUSYXJB-UHFFFAOYSA-N 0 0 393.421 2.642 40 5 GFBBRN CC1=C(C(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 ZINC000027515721 221652974 /nfs/dbraw/zinc/65/29/74/221652974.db2.gz JFZSIXWAEFHBHX-KRWDZBQOSA-N 0 0 396.359 2.590 40 5 GFBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(F)cc1 ZINC000408638906 534603777 /nfs/dbraw/zinc/60/37/77/534603777.db2.gz UZWLPGYUGMRXNO-CYBMUJFWSA-N 0 0 386.335 2.513 40 5 GFBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000408562855 534628595 /nfs/dbraw/zinc/62/85/95/534628595.db2.gz FIKFPWRUEHRMJG-WFASDCNBSA-N 0 0 387.314 2.613 40 5 GFBBRN CC1=C[C@](O)(C(F)(F)OC(F)(F)F)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)N1 ZINC000409174841 528145602 /nfs/dbraw/zinc/14/56/02/528145602.db2.gz VXGDBQZEBQTAPP-LBPRGKRZSA-N 0 0 397.256 2.563 40 5 GFBBRN CCNC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1C ZINC000408603453 528227429 /nfs/dbraw/zinc/22/74/29/528227429.db2.gz KAQZQBZXDIBCQB-UHFFFAOYSA-N 0 0 377.422 2.762 40 5 GFBBRN CCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000408628786 528331419 /nfs/dbraw/zinc/33/14/19/528331419.db2.gz ABKWVBDKMPQHAU-UHFFFAOYSA-N 0 0 382.420 2.906 40 5 GFBBRN CCOC(=O)COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408582331 528846997 /nfs/dbraw/zinc/84/69/97/528846997.db2.gz CKOFRXVZUMILHN-UHFFFAOYSA-N 0 0 394.405 2.646 40 5 GFBBRN Cn1c(=O)nc2n(-c3cccc(Br)c3)c3ccccc3cc-2c1=O ZINC000001024714 551091773 /nfs/dbraw/zinc/09/17/73/551091773.db2.gz HPFKWEBFIRLLQB-UHFFFAOYSA-N 0 0 382.217 2.952 40 5 GFBBRN COc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000408626355 570387593 /nfs/dbraw/zinc/38/75/93/570387593.db2.gz GQBWOVVFTDFKJR-UHFFFAOYSA-N 0 0 389.389 2.501 40 5 GFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(n2nnc3ccccc32)CC1 ZINC000004895209 570637099 /nfs/dbraw/zinc/63/70/99/570637099.db2.gz UTCFZDWIVPKDQL-UHFFFAOYSA-N 0 0 394.435 2.924 40 5 GFBBRN CC(=O)OCC(=O)Nc1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC000005833726 570795740 /nfs/dbraw/zinc/79/57/40/570795740.db2.gz WRKILWRSGJJYDB-UHFFFAOYSA-N 0 0 395.991 2.621 40 5 GFBBRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000007389646 570835239 /nfs/dbraw/zinc/83/52/39/570835239.db2.gz KKJCKEDMVNTROS-UHFFFAOYSA-N 0 0 399.403 2.779 40 5 GFBBRN CC(C)(C)N1C(=O)[C@H]2[C@H]3C[C@H]([C@@H]4[C@@H]3N=NN4c3ccccc3[N+](=O)[O-])[C@@H]2C1=O ZINC000004581412 570910774 /nfs/dbraw/zinc/91/07/74/570910774.db2.gz BGEBNCFBGNHABL-RCSJJZFMSA-N 0 0 383.408 2.569 40 5 GFBBRN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)NC(C)C ZINC000408590393 231070481 /nfs/dbraw/zinc/07/04/81/231070481.db2.gz GNUDBPXTLACCHX-UHFFFAOYSA-N 0 0 377.422 2.842 40 5 GFBBRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)CN1C(=O)c3ccc([N+](=O)[O-])cc3C1=O)C2 ZINC000007977549 221017630 /nfs/dbraw/zinc/01/76/30/221017630.db2.gz MILAZKFJLBHCAX-ZUOKHONESA-N 0 0 385.420 2.618 40 5 GFBBRN CCc1nnc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000013562850 221272733 /nfs/dbraw/zinc/27/27/33/221272733.db2.gz OIZYOVGBAQPXAH-LBPRGKRZSA-N 0 0 390.425 2.644 40 5 GFBBRN CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1Cl ZINC000225024615 533378766 /nfs/dbraw/zinc/37/87/66/533378766.db2.gz XJPADAJBJYGOCF-UHFFFAOYSA-N 0 0 397.840 2.649 40 5 GFBBRN Nc1nn(CC(=O)c2ccc([N+](=O)[O-])cc2)c(=S)n1Nc1cccs1 ZINC000036625664 221862870 /nfs/dbraw/zinc/86/28/70/221862870.db2.gz MXOBOTRFRURCCP-UHFFFAOYSA-N 0 0 376.423 2.724 40 5 GFBBRN Cc1cccc(C)c1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000409028920 534672562 /nfs/dbraw/zinc/67/25/62/534672562.db2.gz 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COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccncc2)o1 ZINC000033793923 570646808 /nfs/dbraw/zinc/64/68/08/570646808.db2.gz VNULLIOXFJPSLT-UHFFFAOYSA-N 0 0 387.377 2.779 40 5 GFBBRN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc21 ZINC000007323241 570829231 /nfs/dbraw/zinc/82/92/31/570829231.db2.gz IIUPEISMAQNPPO-UHFFFAOYSA-N 0 0 375.406 2.613 40 5 GFBBRN CC(C)c1ccc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1[N+](=O)[O-] ZINC000102371532 570847251 /nfs/dbraw/zinc/84/72/51/570847251.db2.gz TZCLTLPIBMKKMZ-XFQWXJFMSA-N 0 0 384.413 2.553 40 5 GFBBRN Cc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1C ZINC000409258324 231188574 /nfs/dbraw/zinc/18/85/74/231188574.db2.gz WHKIEUWYBYFZLG-UHFFFAOYSA-N 0 0 391.449 2.925 40 5 GFBBRN CCOC(=O)c1ccccc1N(CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225000691 222666806 /nfs/dbraw/zinc/66/68/06/222666806.db2.gz ATJXJXSGQUEJGR-UHFFFAOYSA-N 0 0 378.406 2.987 40 5 GFBBRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000008168568 221029738 /nfs/dbraw/zinc/02/97/38/221029738.db2.gz PGOMEHNIYMBJFQ-UHFFFAOYSA-N 0 0 379.369 2.878 40 5 GFBBRN Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000008269992 221033774 /nfs/dbraw/zinc/03/37/74/221033774.db2.gz FGGNVBAIGVMCSM-UHFFFAOYSA-N 0 0 389.433 2.940 40 5 GFBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)NC(C)C ZINC000008475921 221042721 /nfs/dbraw/zinc/04/27/21/221042721.db2.gz ZDZRXQMLPGMMQO-UHFFFAOYSA-N 0 0 393.421 2.542 40 5 GFBBRN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013996596 221295654 /nfs/dbraw/zinc/29/56/54/221295654.db2.gz HRCCVJKWZWOTIU-UHFFFAOYSA-N 0 0 389.795 2.973 40 5 GFBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(c2ccccc2)CCOCC1 ZINC000016971931 221374348 /nfs/dbraw/zinc/37/43/48/221374348.db2.gz NLNUXKBGPHLLOR-UHFFFAOYSA-N 0 0 390.461 2.930 40 5 GFBBRN COc1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000408628477 534180067 /nfs/dbraw/zinc/18/00/67/534180067.db2.gz UETLXJMVNBZSDR-UHFFFAOYSA-N 0 0 390.377 2.947 40 5 GFBBRN O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013995823 570266019 /nfs/dbraw/zinc/26/60/19/570266019.db2.gz UPBLNGUXLLIHQH-UHFFFAOYSA-N 0 0 384.348 2.991 40 5 GFBBRN CCC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035290756 570304843 /nfs/dbraw/zinc/30/48/43/570304843.db2.gz RVOPETIRSQMJCM-QGZVFWFLSA-N 0 0 387.488 3.000 40 5 GFBBRN O=C(CN1C(=O)COc2ccc(Cl)cc21)OCc1ccccc1[N+](=O)[O-] ZINC000024128366 570432512 /nfs/dbraw/zinc/43/25/12/570432512.db2.gz CFGILGDFSWEEQM-UHFFFAOYSA-N 0 0 376.752 2.717 40 5 GFBBRN Cc1ccc(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)n(C)c(=O)nc2-3)cc1C ZINC000039410539 570445612 /nfs/dbraw/zinc/44/56/12/570445612.db2.gz MSGCHKXXGFTJIT-UHFFFAOYSA-N 0 0 376.372 2.714 40 5 GFBBRN CCOC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225017894 570543579 /nfs/dbraw/zinc/54/35/79/570543579.db2.gz MYRJTIGYRSQWCW-UHFFFAOYSA-N 0 0 392.433 2.970 40 5 GFBBRN Cc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c(C)c1 ZINC000220022467 570603705 /nfs/dbraw/zinc/60/37/05/570603705.db2.gz VSHFHAQCGGSISE-UHFFFAOYSA-N 0 0 391.449 2.925 40 5 GFBBRN Cc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 ZINC000218230822 570817414 /nfs/dbraw/zinc/81/74/14/570817414.db2.gz UIKFFRKZGIOUOA-UHFFFAOYSA-N 0 0 397.840 2.961 40 5 GFBBRN Cc1ccc(NC(=O)C[C@H]2C(=O)OCCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000014165419 570879281 /nfs/dbraw/zinc/87/92/81/570879281.db2.gz OPNMBXBOZLTVMN-KRWDZBQOSA-N 0 0 375.425 2.792 40 5 GFBBRN CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000224839874 570982832 /nfs/dbraw/zinc/98/28/32/570982832.db2.gz LBSOTAWQAHDVFY-UHFFFAOYSA-N 0 0 378.406 2.890 40 5 GFBBRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)C2 ZINC000007735272 571026801 /nfs/dbraw/zinc/02/68/01/571026801.db2.gz XJGTXIHMEVKMRM-MPBGBICISA-N 0 0 385.420 2.618 40 5 GFBBRN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408552653 231058158 /nfs/dbraw/zinc/05/81/58/231058158.db2.gz MMUKFTRSZTXAOL-ZDUSSCGKSA-N 0 0 377.422 2.517 40 5 GFBBRN Cn1c2cc(NC(=O)c3ccccc3[N+](=O)[O-])c(N3CCCC3)cc2n(C)c1=O ZINC000408529791 231051941 /nfs/dbraw/zinc/05/19/41/231051941.db2.gz JZTCTKISIQGXMZ-UHFFFAOYSA-N 0 0 395.419 2.638 40 5 GFBBRN CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000224899146 222665055 /nfs/dbraw/zinc/66/50/55/222665055.db2.gz OCOGGMHCJWUXFQ-UHFFFAOYSA-N 0 0 393.421 2.777 40 5 GFBBRN CN1CCN(C(=O)c2cc3c4ccccc4n4c3c(n2)c2ccccc2c4=O)CC1 ZINC000020758983 212152486 /nfs/dbraw/zinc/15/24/86/212152486.db2.gz RWOQRUQWCARUGY-UHFFFAOYSA-N 0 0 396.450 2.980 40 5 GFBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)N[C@H](C)c2ccccc2)CC1=O ZINC000408639919 533137171 /nfs/dbraw/zinc/13/71/71/533137171.db2.gz HMPDNVVYPBFQRU-HIFRSBDPSA-N 0 0 383.404 2.834 40 5 GFBBRN COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1Cl ZINC000408565143 533147947 /nfs/dbraw/zinc/14/79/47/533147947.db2.gz HWMXLZLCAJFGRS-OYYNGEPBSA-N 0 0 387.823 2.871 40 5 GFBBRN CN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000004163343 220688204 /nfs/dbraw/zinc/68/82/04/220688204.db2.gz GTFRELCRDZVNGO-XHSDSOJGSA-N 0 0 387.779 2.725 40 5 GFBBRN CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 ZINC000020037419 221468698 /nfs/dbraw/zinc/46/86/98/221468698.db2.gz BWFLECFLCSXTGO-KRWDZBQOSA-N 0 0 391.449 2.628 40 5 GFBBRN CN1C(=O)[C@H]2[C@H](ON(c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O ZINC000095909128 222361647 /nfs/dbraw/zinc/36/16/47/222361647.db2.gz GTFRELCRDZVNGO-OAGGEKHMSA-N 0 0 387.779 2.725 40 5 GFBBRN COc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000408628719 534180587 /nfs/dbraw/zinc/18/05/87/534180587.db2.gz WKGSVERZVRKDBC-UHFFFAOYSA-N 0 0 376.350 2.638 40 5 GFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000046869116 534343236 /nfs/dbraw/zinc/34/32/36/534343236.db2.gz ZTGQAOOVCSQEFC-LLVKDONJSA-N 0 0 397.840 2.862 40 5 GFBBRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408641503 528236224 /nfs/dbraw/zinc/23/62/24/528236224.db2.gz MESSKBRQDPRIJM-CQSZACIVSA-N 0 0 397.387 2.763 40 5 GFBBRN O=C(C[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000006512223 551099107 /nfs/dbraw/zinc/09/91/07/551099107.db2.gz HOZIDHOMYAEFBN-MRXNPFEDSA-N 0 0 391.177 2.770 40 5 GFBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224713311 553057882 /nfs/dbraw/zinc/05/78/82/553057882.db2.gz IEXVGZTXBHBKGL-UHFFFAOYSA-N 0 0 384.797 2.617 40 5 GFBBRN COC(=O)c1ccc(Cl)c(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000225037062 553058161 /nfs/dbraw/zinc/05/81/61/553058161.db2.gz ACYROYNXHINJRC-UHFFFAOYSA-N 0 0 384.797 2.860 40 5 GFBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225043684 553058459 /nfs/dbraw/zinc/05/84/59/553058459.db2.gz HJZBIJXXTBVQSO-UHFFFAOYSA-N 0 0 379.419 2.617 40 5 GFBBRN CC[C@H](c1nnnn1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035290749 570304816 /nfs/dbraw/zinc/30/48/16/570304816.db2.gz OAFSBUDBALXCQD-GOSISDBHSA-N 0 0 385.472 2.970 40 5 GFBBRN COc1cc(OCC(=O)NCc2nc(-c3cccc(C)c3)no2)ccc1[N+](=O)[O-] ZINC000219828910 570376074 /nfs/dbraw/zinc/37/60/74/570376074.db2.gz CVRBLUKHENETBT-UHFFFAOYSA-N 0 0 398.375 2.657 40 5 GFBBRN Cc1c(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220031740 570380607 /nfs/dbraw/zinc/38/06/07/570380607.db2.gz OJQYLULUWZZTAV-UHFFFAOYSA-N 0 0 397.497 2.898 40 5 GFBBRN COC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224997612 570542118 /nfs/dbraw/zinc/54/21/18/570542118.db2.gz QXNKDLBRWHBYLI-UHFFFAOYSA-N 0 0 378.406 2.580 40 5 GFBBRN CCc1nnc(-n2ccc3nc4ccn(C5CCCCC5)c(=O)c4cc3c2=O)[nH]1 ZINC000040399145 570602990 /nfs/dbraw/zinc/60/29/90/570602990.db2.gz IRCCRRJQBOHBII-UHFFFAOYSA-N 0 0 390.447 2.886 40 5 GFBBRN COC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000005510701 570621466 /nfs/dbraw/zinc/62/14/66/570621466.db2.gz QUIUUJPAEWDHDM-AWEZNQCLSA-N 0 0 394.339 2.569 40 5 GFBBRN CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224755446 570962526 /nfs/dbraw/zinc/96/25/26/570962526.db2.gz OFHYEOLXJCOKNK-UHFFFAOYSA-N 0 0 378.406 2.905 40 5 GFBBRN C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)C(=O)c1ccccc1 ZINC000408640396 231090252 /nfs/dbraw/zinc/09/02/52/231090252.db2.gz AXJHJECDVQZANY-UKRRQHHQSA-N 0 0 382.372 2.762 40 5 GFBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C2=O)c1 ZINC000409093213 231158132 /nfs/dbraw/zinc/15/81/32/231158132.db2.gz ZHYJAGJXYHSRTL-CXUHLZMHSA-N 0 0 394.387 2.743 40 5 GFBBRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408714464 530029956 /nfs/dbraw/zinc/02/99/56/530029956.db2.gz RGHBSSOXZOEDCR-UHFFFAOYSA-N 0 0 383.320 2.825 40 5 GFBBRN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000008225323 204266332 /nfs/dbraw/zinc/26/63/32/204266332.db2.gz DHFOXYDQFFORPS-GFCCVEGCSA-N 0 0 378.406 2.714 40 5 GFBBRN Cc1cc([N+](=O)[O-])ccc1-n1ccc2c(cnc3nc(C(F)(F)F)nn32)c1=O ZINC000038783861 205039293 /nfs/dbraw/zinc/03/92/93/205039293.db2.gz UKEHGEJXHVYFBK-UHFFFAOYSA-N 0 0 390.281 2.664 40 5 GFBBRN CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000225013067 206034688 /nfs/dbraw/zinc/03/46/88/206034688.db2.gz XUNIKAAFLOCPCT-UHFFFAOYSA-N 0 0 378.406 2.987 40 5 GFBBRN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000020410802 136202706 /nfs/dbraw/zinc/20/27/06/136202706.db2.gz YQCHZLWSTOHXCM-UHFFFAOYSA-N 0 0 386.364 2.900 40 5 GFBBRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)c1 ZINC000193421304 534558822 /nfs/dbraw/zinc/55/88/22/534558822.db2.gz IHCOUYOKSBLUAU-UHFFFAOYSA-N 0 0 384.421 2.606 40 5 GFBBRN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408641430 527011601 /nfs/dbraw/zinc/01/16/01/527011601.db2.gz LJPJSUKFSBWCHQ-CYBMUJFWSA-N 0 0 382.376 2.545 40 5 GFBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224715073 570526657 /nfs/dbraw/zinc/52/66/57/570526657.db2.gz QGKKOPAVRURPPE-UHFFFAOYSA-N 0 0 398.824 2.925 40 5 GFBBRN COC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113874441 655215325 /nfs/dbraw/zinc/21/53/25/655215325.db2.gz RCVMONFVXKTVCK-UHFFFAOYSA-N 0 0 384.797 2.617 40 5 GFBBRN O=C(C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000005722453 204148403 /nfs/dbraw/zinc/14/84/03/204148403.db2.gz HOZIDHOMYAEFBN-INIZCTEOSA-N 0 0 391.177 2.770 40 5 GFBBRN CCN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1)S(C)(=O)=O ZINC000010008610 204328933 /nfs/dbraw/zinc/32/89/33/204328933.db2.gz YEYWSSYSRAIRMR-UHFFFAOYSA-N 0 0 377.422 2.941 40 5 GFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000044886157 205088432 /nfs/dbraw/zinc/08/84/32/205088432.db2.gz XHMVBBSAEVGHMU-UHFFFAOYSA-N 0 0 399.812 2.881 40 5 GFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218452343 205947182 /nfs/dbraw/zinc/94/71/82/205947182.db2.gz AVAHRZPNKIZFCZ-LBPRGKRZSA-N 0 0 395.412 2.836 40 5 GFBBRN Cc1c(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220028419 205966349 /nfs/dbraw/zinc/96/63/49/205966349.db2.gz QKHNEUJMXDJCJL-UHFFFAOYSA-N 0 0 395.481 2.676 40 5 GFBBRN COC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000224758341 206026776 /nfs/dbraw/zinc/02/67/76/206026776.db2.gz RLBMJXXSIMBEKG-UHFFFAOYSA-N 0 0 384.797 2.860 40 5 GFBBRN CCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224764193 206028096 /nfs/dbraw/zinc/02/80/96/206028096.db2.gz NMJWARLNQXGPMN-UHFFFAOYSA-N 0 0 392.433 2.970 40 5 GFBBRN COc1ccc(Nc2cc(-c3ccncc3)nc(NC(C)C)n2)c([N+](=O)[O-])c1 ZINC000329023027 534025475 /nfs/dbraw/zinc/02/54/75/534025475.db2.gz OQRIMPMIHJTZPN-UHFFFAOYSA-N 0 0 380.408 2.863 40 5 GFBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000408562854 534627761 /nfs/dbraw/zinc/62/77/61/534627761.db2.gz FIKFPWRUEHRMJG-SWLSCSKDSA-N 0 0 387.314 2.613 40 5 GFBBRN 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ZINC000010337734 570849692 /nfs/dbraw/zinc/84/96/92/570849692.db2.gz DAWCEKQUMKDSRC-UHFFFAOYSA-N 0 0 383.470 2.508 40 5 GFBBRN C[C@H](C(=O)NC1CCCCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220414028 571046535 /nfs/dbraw/zinc/04/65/35/571046535.db2.gz JCESIKFOJJYNOB-CQSZACIVSA-N 0 0 397.497 2.978 40 5 GFBBRN Cc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1C ZINC000409268285 231188704 /nfs/dbraw/zinc/18/87/04/231188704.db2.gz YTRBMKQWHPUGSF-UHFFFAOYSA-N 0 0 391.449 2.925 40 5 GFBBRN CC(=O)[C@]1(C)C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000005004547 204101851 /nfs/dbraw/zinc/10/18/51/204101851.db2.gz NOSIQUXZBHHOGE-GOSISDBHSA-N 0 0 398.331 2.824 40 5 GFBBRN COC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000005510714 204137570 /nfs/dbraw/zinc/13/75/70/204137570.db2.gz QUIUUJPAEWDHDM-CQSZACIVSA-N 0 0 394.339 2.569 40 5 GFBBRN Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000007759116 204249383 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ZINC000045221375 570989009 /nfs/dbraw/zinc/98/90/09/570989009.db2.gz SRIMIBVVOMJGFZ-UHFFFAOYSA-N 0 0 381.454 2.756 40 5 GFBBRN CN(C)c1cc2c(cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)n(C)c(=O)n2C ZINC000408531003 529774456 /nfs/dbraw/zinc/77/44/56/529774456.db2.gz KAHVQQLMPUACSS-JXMROGBWSA-N 0 0 395.419 2.503 40 5 GFBBRN CC(C)[C@H](CO)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)n1 ZINC000329004848 206240752 /nfs/dbraw/zinc/24/07/52/206240752.db2.gz KVEBWUYAKOFPLF-LBPRGKRZSA-N 0 0 385.346 2.998 40 5 GFBBRN CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000020637605 207209292 /nfs/dbraw/zinc/20/92/92/207209292.db2.gz LLEQNLGOFKXHJV-HOTGVXAUSA-N 0 0 380.360 2.665 40 5 GFBBRN CCOC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113881758 208461484 /nfs/dbraw/zinc/46/14/84/208461484.db2.gz DQBWWMDZDPSJIM-UHFFFAOYSA-N 0 0 392.433 2.970 40 5 GFBBRN CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000224692285 208932160 /nfs/dbraw/zinc/93/21/60/208932160.db2.gz CVOIKWHURRSHET-UHFFFAOYSA-N 0 0 392.433 2.970 40 5 GFBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cccs1 ZINC000225137377 208943197 /nfs/dbraw/zinc/94/31/97/208943197.db2.gz QAROPAMFCDOBRN-UHFFFAOYSA-N 0 0 384.435 2.723 40 5 GFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(-c2ccco2)n1 ZINC000408583130 533224915 /nfs/dbraw/zinc/22/49/15/533224915.db2.gz RUGPBRCAOGINGJ-UHFFFAOYSA-N 0 0 375.366 2.712 40 5 GFBBRN CS(=O)(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000016808009 136202075 /nfs/dbraw/zinc/20/20/75/136202075.db2.gz HLNHSIGWQCRIRC-UHFFFAOYSA-N 0 0 395.868 2.978 40 5 GFBBRN Cc1ccc(CN2C(=O)N/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1 ZINC000409249742 533912122 /nfs/dbraw/zinc/91/21/22/533912122.db2.gz VLWGASUJLJXVRJ-NSIKDUERSA-N 0 0 381.344 2.725 40 5 GFBBRN O=C(COc1ccccc1F)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008902588 534638329 /nfs/dbraw/zinc/63/83/29/534638329.db2.gz MJVLAXUYPYPJAN-UHFFFAOYSA-N 0 0 375.356 2.588 40 5 GFBBRN CC(C)COC(=O)N1CCC[C@H]1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409000343 528072112 /nfs/dbraw/zinc/07/21/12/528072112.db2.gz VQDFTCGCPSRECJ-HNNXBMFYSA-N 0 0 378.381 2.578 40 5 GFBBRN COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000015674696 560231307 /nfs/dbraw/zinc/23/13/07/560231307.db2.gz VYLHEHMXUIFRGV-AEFFLSMTSA-N 0 0 396.403 2.961 40 5 biogenic,in-vitro GFBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223419763 570244846 /nfs/dbraw/zinc/24/48/46/570244846.db2.gz ZLMMZENPYXNRIH-SFHVURJKSA-N 0 0 399.447 2.699 40 5 GFBBRN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)CC1 ZINC000020969299 570288756 /nfs/dbraw/zinc/28/87/56/570288756.db2.gz IWUHIMPNOREBDR-UHFFFAOYSA-N 0 0 382.420 2.824 40 5 GFBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000223772727 570325889 /nfs/dbraw/zinc/32/58/89/570325889.db2.gz LRCMVFJQADVPLZ-UHFFFAOYSA-N 0 0 394.434 2.835 40 5 GFBBRN O=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004909060 570648022 /nfs/dbraw/zinc/64/80/22/570648022.db2.gz ASBSPZKPRNOITC-UHFFFAOYSA-N 0 0 397.435 2.819 40 5 GFBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)NC(C)C ZINC000013677152 570667749 /nfs/dbraw/zinc/66/77/49/570667749.db2.gz CFWBTBBYEIWTHX-UHFFFAOYSA-N 0 0 393.421 2.542 40 5 GFBBRN Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cccc1N(C)S(C)(=O)=O ZINC000222433809 570740459 /nfs/dbraw/zinc/74/04/59/570740459.db2.gz UHRVSIFHJMZKHI-UHFFFAOYSA-N 0 0 377.422 2.860 40 5 GFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 ZINC000010314736 570829450 /nfs/dbraw/zinc/82/94/50/570829450.db2.gz RUOSKBZYROVFFU-UHFFFAOYSA-N 0 0 379.394 2.536 40 5 GFBBRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223016790 570950491 /nfs/dbraw/zinc/95/04/91/570950491.db2.gz KWSBBZMJNMCKTM-GOSISDBHSA-N 0 0 383.448 2.999 40 5 GFBBRN CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224774922 570967896 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384.797 2.617 40 5 GFBBRN Cc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1C ZINC000220025320 208857786 /nfs/dbraw/zinc/85/77/86/208857786.db2.gz FYXDGXWMOPKMLZ-UHFFFAOYSA-N 0 0 391.449 2.925 40 5 GFBBRN CCc1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220403491 208861041 /nfs/dbraw/zinc/86/10/41/208861041.db2.gz GJTXCHUXPLPGHB-CYBMUJFWSA-N 0 0 391.449 2.950 40 5 GFBBRN COc1cccc(OC)c1CN(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223726676 208910285 /nfs/dbraw/zinc/91/02/85/208910285.db2.gz JZWALTBARRSTQA-UHFFFAOYSA-N 0 0 380.422 2.741 40 5 GFBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccn2)o1 ZINC000033713182 533139642 /nfs/dbraw/zinc/13/96/42/533139642.db2.gz LXFVIEBHBNOLJT-UHFFFAOYSA-N 0 0 387.377 2.779 40 5 GFBBRN COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1Cl ZINC000408565141 533147001 /nfs/dbraw/zinc/14/70/01/533147001.db2.gz HWMXLZLCAJFGRS-KHDYIWLOSA-N 0 0 387.823 2.871 40 5 GFBBRN 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ZINC000409391803 534202264 /nfs/dbraw/zinc/20/22/64/534202264.db2.gz LMGVOEOXTKLXGN-UHFFFAOYSA-N 0 0 386.389 2.989 40 5 GFBBRN Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409134487 534708162 /nfs/dbraw/zinc/70/81/62/534708162.db2.gz UCUGGXBQMSPFJK-UHFFFAOYSA-N 0 0 375.454 2.931 40 5 GFBBRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409002038 526405154 /nfs/dbraw/zinc/40/51/54/526405154.db2.gz LSIPGUCVMTUJTK-AWEZNQCLSA-N 0 0 378.381 2.720 40 5 GFBBRN CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408641431 527014032 /nfs/dbraw/zinc/01/40/32/527014032.db2.gz LJPJSUKFSBWCHQ-ZDUSSCGKSA-N 0 0 382.376 2.545 40 5 GFBBRN Cc1c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cccc1[N+](=O)[O-] ZINC000225675859 553060345 /nfs/dbraw/zinc/06/03/45/553060345.db2.gz IYOMZSIWWUYCHK-UHFFFAOYSA-N 0 0 379.419 2.617 40 5 GFBBRN O=c1c2cc3c(ccn(-c4cc[nH]n4)c3=O)nc2ccn1Cc1cccc(F)c1 ZINC000040399071 570602887 /nfs/dbraw/zinc/60/28/87/570602887.db2.gz UNEDVEGLIYAJJE-UHFFFAOYSA-N 0 0 387.374 2.611 40 5 GFBBRN O=C(Cn1nc(Br)nc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000032683831 570735943 /nfs/dbraw/zinc/73/59/43/570735943.db2.gz PTUDHOGDMFSKTN-UHFFFAOYSA-N 0 0 389.991 2.594 40 5 GFBBRN O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000005896068 570801766 /nfs/dbraw/zinc/80/17/66/570801766.db2.gz YFVKBROFLIIUCX-HUUCEWRRSA-N 0 0 385.203 2.726 40 5 GFBBRN Cc1c(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220307700 570950306 /nfs/dbraw/zinc/95/03/06/570950306.db2.gz JJGPEDPEDCXIIA-GFCCVEGCSA-N 0 0 395.412 2.836 40 5 GFBBRN Cc1ccc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000054672221 570994117 /nfs/dbraw/zinc/99/41/17/570994117.db2.gz WIXOUOJUNYGUJF-GOSISDBHSA-N 0 0 383.404 2.659 40 5 GFBBRN COC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113873304 655215462 /nfs/dbraw/zinc/21/54/62/655215462.db2.gz MWLGBFJVZDDRNF-UHFFFAOYSA-N 0 0 384.797 2.617 40 5 GFBBRN Cn1c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(N3CCCC3)cc2n(C)c1=O ZINC000408530122 231051880 /nfs/dbraw/zinc/05/18/80/231051880.db2.gz LFUUFYXVWDRDKH-UHFFFAOYSA-N 0 0 395.419 2.638 40 5 GFBBRN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCCC1 ZINC000408589178 231070107 /nfs/dbraw/zinc/07/01/07/231070107.db2.gz DWCONMHRTDNJFQ-UHFFFAOYSA-N 0 0 389.433 2.940 40 5 GFBBRN CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000224348232 222655387 /nfs/dbraw/zinc/65/53/87/222655387.db2.gz HPQABQGVJUNIGP-UHFFFAOYSA-N 0 0 395.462 2.576 40 5 GFBBRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C[C@H]1C ZINC000020449150 221486843 /nfs/dbraw/zinc/48/68/43/221486843.db2.gz BESYNPNJTULADC-GFCCVEGCSA-N 0 0 389.433 2.948 40 5 GFBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000020410963 136202632 /nfs/dbraw/zinc/20/26/32/136202632.db2.gz YOXGIYJJDJPDPI-UHFFFAOYSA-N 0 0 392.462 2.620 40 5 GFBBRN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000408647785 534162306 /nfs/dbraw/zinc/16/23/06/534162306.db2.gz XLRDJRUPSBXOLU-LBPRGKRZSA-N 0 0 385.376 2.604 40 5 GFBBRN Cc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000106755986 534248059 /nfs/dbraw/zinc/24/80/59/534248059.db2.gz GTRYRFIOIRNVLY-GDNBJRDFSA-N 0 0 389.433 2.952 40 5 GFBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(I)cn1 ZINC000103247965 534640685 /nfs/dbraw/zinc/64/06/85/534640685.db2.gz GLBAXRRVTVTIQD-UHFFFAOYSA-N 0 0 399.144 2.612 40 5 GFBBRN CC(C)COC(=O)N1CCC[C@@H]1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409000347 528071749 /nfs/dbraw/zinc/07/17/49/528071749.db2.gz VQDFTCGCPSRECJ-OAHLLOKOSA-N 0 0 378.381 2.578 40 5 GFBBRN Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000006254662 570350170 /nfs/dbraw/zinc/35/01/70/570350170.db2.gz PHXQEBXKYCPGQW-UHFFFAOYSA-N 0 0 389.433 2.940 40 5 GFBBRN COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000013672737 570667290 /nfs/dbraw/zinc/66/72/90/570667290.db2.gz BQPSIYNJUBLXRI-ZDUSSCGKSA-N 0 0 380.422 2.658 40 5 GFBBRN CS(=O)(=O)N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000014400012 570884901 /nfs/dbraw/zinc/88/49/01/570884901.db2.gz FUBZHIJCSQTQNW-UHFFFAOYSA-N 0 0 395.412 2.919 40 5 GFBBRN CCOC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224743469 570960748 /nfs/dbraw/zinc/96/07/48/570960748.db2.gz WPFDPSHSVDLYSU-UHFFFAOYSA-N 0 0 392.433 2.916 40 5 GFBBRN CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224776605 570967761 /nfs/dbraw/zinc/96/77/61/570967761.db2.gz HLUMEGXVHGALRX-UHFFFAOYSA-N 0 0 396.396 2.801 40 5 GFBBRN COc1cc(NC(=O)CSc2nnc(-c3ccncc3)o2)ccc1[N+](=O)[O-] ZINC000408556359 532983854 /nfs/dbraw/zinc/98/38/54/532983854.db2.gz JXUXAFRZWONOKP-UHFFFAOYSA-N 0 0 387.377 2.779 40 5 GFBBRN C[C@@H]1Cc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1S(C)(=O)=O ZINC000007915996 221015459 /nfs/dbraw/zinc/01/54/59/221015459.db2.gz WQCQAJSJHSDNQN-LLVKDONJSA-N 0 0 375.406 2.558 40 5 GFBBRN CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000010339356 221101142 /nfs/dbraw/zinc/10/11/42/221101142.db2.gz PHSNRQOXZNQDMY-HZPDHXFCSA-N 0 0 380.360 2.665 40 5 GFBBRN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N[C@@H](c2ccc(O)cc2)[C@@H]1[N+](=O)[O-] ZINC000012384071 221187771 /nfs/dbraw/zinc/18/77/71/221187771.db2.gz ONVZBPNGXVPCMU-MHORFTMASA-N 0 0 387.392 2.800 40 5 GFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1C(=O)OCCN1Cc1ccccc1 ZINC000013636755 221277993 /nfs/dbraw/zinc/27/79/93/221277993.db2.gz MTGMRSXCEPIWQJ-SFHVURJKSA-N 0 0 383.404 2.659 40 5 GFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000019160736 221399696 /nfs/dbraw/zinc/39/96/96/221399696.db2.gz XWGZRHZATXCQTD-UHFFFAOYSA-N 0 0 389.433 2.940 40 5 GFBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000105394186 533448176 /nfs/dbraw/zinc/44/81/76/533448176.db2.gz VEPWAQSKWKVWQT-UHFFFAOYSA-N 0 0 376.281 2.981 40 5 GFBBRN CCCCCn1ccc2nc3ccn(-c4nc(SC)n[nH]4)c(=O)c3cc2c1=O ZINC000040398855 221922057 /nfs/dbraw/zinc/92/20/57/221922057.db2.gz GGLAITCTVRBVBH-UHFFFAOYSA-N 0 0 396.476 2.731 40 5 GFBBRN Cc1ccc(-c2nnc(CN(C)S(=O)(=O)c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000408714629 534223330 /nfs/dbraw/zinc/22/33/30/534223330.db2.gz SZCFNYSXSPNAGA-UHFFFAOYSA-N 0 0 388.405 2.774 40 5 GFBBRN CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000224846359 553058144 /nfs/dbraw/zinc/05/81/44/553058144.db2.gz BGQCTZREYBGJLB-UHFFFAOYSA-N 0 0 384.797 2.845 40 5 GFBBRN COC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225020199 553058278 /nfs/dbraw/zinc/05/82/78/553058278.db2.gz JTGIOAGSRZYQIJ-UHFFFAOYSA-N 0 0 384.797 2.617 40 5 GFBBRN CN(c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl)S(C)(=O)=O ZINC000225973977 553060867 /nfs/dbraw/zinc/06/08/67/553060867.db2.gz IVIVYQNWENGIIR-UHFFFAOYSA-N 0 0 383.813 2.896 40 5 GFBBRN COc1ccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1[N+](=O)[O-] ZINC000006238411 570345062 /nfs/dbraw/zinc/34/50/62/570345062.db2.gz JXTPIXXRBDNPQE-UHFFFAOYSA-N 0 0 388.405 2.689 40 5 GFBBRN CN1C(=O)c2ccc(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2C1=O ZINC000006287839 570361047 /nfs/dbraw/zinc/36/10/47/570361047.db2.gz KBXXNBIVZMFBGO-UHFFFAOYSA-N 0 0 379.372 2.652 40 5 GFBBRN CC1=C[C@](O)(C(F)(F)OC(F)(F)F)N(C(=O)c2cccc([N+](=O)[O-])c2)N1 ZINC000006395394 570362783 /nfs/dbraw/zinc/36/27/83/570362783.db2.gz PRDBGNMODCJLKA-NSHDSACASA-N 0 0 383.229 2.634 40 5 GFBBRN CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(F)cc1 ZINC000033746910 570409230 /nfs/dbraw/zinc/40/92/30/570409230.db2.gz OIGUWSFIFHYHRG-UHFFFAOYSA-N 0 0 395.412 2.692 40 5 GFBBRN CC1=C[C@@](O)(C(F)(F)OC(F)(F)F)N(C(=O)c2cccc([N+](=O)[O-])c2)N1 ZINC000006394777 570479049 /nfs/dbraw/zinc/47/90/49/570479049.db2.gz PRDBGNMODCJLKA-LLVKDONJSA-N 0 0 383.229 2.634 40 5 GFBBRN CCSc1n[nH]c(-n2ccc3nc4ccn(CC(C)C)c(=O)c4cc3c2=O)n1 ZINC000040398905 570602508 /nfs/dbraw/zinc/60/25/08/570602508.db2.gz AJKMXSQEDJDKEM-UHFFFAOYSA-N 0 0 396.476 2.587 40 5 GFBBRN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000205682600 570776984 /nfs/dbraw/zinc/77/69/84/570776984.db2.gz FYMRLKBVJQEVDC-NTUHNPAUSA-N 0 0 384.260 2.756 40 5 GFBBRN