smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(Cc2cccc(C(=O)Nc3ccn(Cc4c(F)c(F)cc(F)c4F)n3)c2)c(C)c1[N+](=O)[O-] ZINC000000653181 551512983 /nfs/dbraw/zinc/51/29/83/551512983.db2.gz FUEXAJQWFBICEH-UHFFFAOYSA-N 0 0 502.428 4.510 50 5 aggregator KJBARN Cc1cc(C)c(C)c(Oc2cc(NC(=O)c3c(I)cnn3C)cc([N+](=O)[O-])c2)c1 ZINC000000653665 551513140 /nfs/dbraw/zinc/51/31/40/551513140.db2.gz OMYRMOLHHVVPJL-UHFFFAOYSA-N 0 0 506.300 4.903 50 5 KJBARN CC(=O)c1ccc(NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2cccc(Br)c2)cc1 ZINC000000657916 551514351 /nfs/dbraw/zinc/51/43/51/551514351.db2.gz LIIOVJAIFPJQMB-XKZIYDEJSA-N 0 0 508.328 4.970 50 5 KJBARN COC(=O)c1c2c(sc1NC(=O)c1ccc(Cn3cc(Br)c([N+](=O)[O-])n3)cc1)CCCCC2 ZINC000000668716 551518488 /nfs/dbraw/zinc/51/84/88/551518488.db2.gz YYEBPQQCGITIMB-UHFFFAOYSA-N 0 0 533.404 4.971 50 5 KJBARN O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1I ZINC000000670976 551519251 /nfs/dbraw/zinc/51/92/51/551519251.db2.gz PBCXMBSIHPQOMU-IBGZPJMESA-N 0 0 548.724 4.764 50 5 KJBARN O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1I ZINC000000670978 551519264 /nfs/dbraw/zinc/51/92/64/551519264.db2.gz PBCXMBSIHPQOMU-LJQANCHMSA-N 0 0 548.724 4.764 50 5 KJBARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)cc1 ZINC000000681711 551524533 /nfs/dbraw/zinc/52/45/33/551524533.db2.gz MOWAKAYCKOMCST-DEOSSOPVSA-N 0 0 538.402 4.917 50 5 KJBARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)cc1 ZINC000000681712 551524565 /nfs/dbraw/zinc/52/45/65/551524565.db2.gz MOWAKAYCKOMCST-XMMPIXPASA-N 0 0 538.402 4.917 50 5 KJBARN CCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)n1 ZINC000000697046 551528285 /nfs/dbraw/zinc/52/82/85/551528285.db2.gz GOKZLRBBVIWVPE-UHFFFAOYSA-N 0 0 507.890 4.876 50 5 KJBARN CC(C)COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000000697075 551528331 /nfs/dbraw/zinc/52/83/31/551528331.db2.gz XXFVINRGQUOIDQ-UHFFFAOYSA-N 0 0 501.499 4.858 50 5 KJBARN CC(C)COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000000697076 551528218 /nfs/dbraw/zinc/52/82/18/551528218.db2.gz WQIRXGBUCIOJLS-UHFFFAOYSA-N 0 0 501.499 4.858 50 5 KJBARN COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(I)cc2)c([N+](=O)[O-])cc1OC ZINC000000704161 551531085 /nfs/dbraw/zinc/53/10/85/551531085.db2.gz ZPQNETPSQAVQMG-UNOMPAQXSA-N 0 0 573.343 4.626 50 5 KJBARN COc1cc(NC(=O)c2cnn3c2nc(-c2cc(OC)c(OC)c(OC)c2)cc3C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000000721088 551537806 /nfs/dbraw/zinc/53/78/06/551537806.db2.gz PADVLDXWNFTBKL-UHFFFAOYSA-N 0 0 547.446 4.610 50 5 KJBARN O=C(COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1)c1ccccc1 ZINC000000725906 551537981 /nfs/dbraw/zinc/53/79/81/551537981.db2.gz OTFMOPPKEGZQFT-UHFFFAOYSA-N 0 0 534.480 4.666 50 5 KJBARN O=C(NC[C@H]1CCCO1)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1N1CCc2ccccc2C1 ZINC000000735701 551539701 /nfs/dbraw/zinc/53/97/01/551539701.db2.gz AOTPDTNKLMYLSQ-JOCHJYFZSA-N 0 0 535.000 4.972 50 5 KJBARN O=C(NC[C@@H]1CCCO1)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1N1CCc2ccccc2C1 ZINC000000735704 551539686 /nfs/dbraw/zinc/53/96/86/551539686.db2.gz AOTPDTNKLMYLSQ-QFIPXVFZSA-N 0 0 535.000 4.972 50 5 KJBARN COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2C(=O)NC(C)C)CC1 ZINC000000747912 551541334 /nfs/dbraw/zinc/54/13/34/551541334.db2.gz VBALZEBXNGFPOH-UHFFFAOYSA-N 0 0 552.031 4.974 50 5 KJBARN Cc1c(C(/C=C/c2ccc([N+](=O)[O-])o2)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000000829275 551545766 /nfs/dbraw/zinc/54/57/66/551545766.db2.gz RYKLSNZDYMEBDT-BMRADRMJSA-N 0 0 525.565 4.629 50 5 KJBARN COc1ccc(NC(=S)N[C@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] ZINC000000836801 551546867 /nfs/dbraw/zinc/54/68/67/551546867.db2.gz NETHZKVUMYWGTC-HNNXBMFYSA-N 0 0 512.202 4.670 50 5 KJBARN COc1ccc(NC(=S)N[C@@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] ZINC000000836802 551546831 /nfs/dbraw/zinc/54/68/31/551546831.db2.gz NETHZKVUMYWGTC-OAHLLOKOSA-N 0 0 512.202 4.670 50 5 KJBARN COC(=O)c1c2c(sc1NC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C)C[C@@H](C(C)(C)C)CC2 ZINC000000845112 551548293 /nfs/dbraw/zinc/54/82/93/551548293.db2.gz RJBPIJVOQUSRMI-NSHDSACASA-N 0 0 513.414 4.500 50 5 KJBARN COC(=O)c1c2c(sc1NC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C)C[C@H](C(C)(C)C)CC2 ZINC000000845113 551548307 /nfs/dbraw/zinc/54/83/07/551548307.db2.gz RJBPIJVOQUSRMI-LLVKDONJSA-N 0 0 513.414 4.500 50 5 KJBARN CCOC(=O)c1c2c(sc1NC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C)C[C@@H](C(C)(C)C)CC2 ZINC000000845117 551548295 /nfs/dbraw/zinc/54/82/95/551548295.db2.gz HNPBUTLSHFNNHV-LBPRGKRZSA-N 0 0 527.441 4.890 50 5 KJBARN CCOC(=O)c1c2c(sc1NC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C)C[C@H](C(C)(C)C)CC2 ZINC000000845118 551548327 /nfs/dbraw/zinc/54/83/27/551548327.db2.gz HNPBUTLSHFNNHV-GFCCVEGCSA-N 0 0 527.441 4.890 50 5 KJBARN COc1cc(NC(=O)c2cc3nc(-c4ccc([N+](=O)[O-])cc4)cc(C(F)(F)F)n3n2)cc(OC)c1OC ZINC000000845331 551548848 /nfs/dbraw/zinc/54/88/48/551548848.db2.gz ZPJKWABAZXKSQD-UHFFFAOYSA-N 0 0 517.420 4.601 50 5 KJBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000000855833 551550338 /nfs/dbraw/zinc/55/03/38/551550338.db2.gz VQISXRVFQAXTGQ-UHFFFAOYSA-N 0 0 516.289 4.981 50 5 KJBARN O=C1c2ccc(Oc3cccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)c3)cc2C(=O)N1c1ccccc1 ZINC000000873018 551554174 /nfs/dbraw/zinc/55/41/74/551554174.db2.gz MLTVYABHOQKQIQ-UHFFFAOYSA-N 0 0 505.442 4.988 50 5 KJBARN Cc1csc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)n1 ZINC000000896105 551564272 /nfs/dbraw/zinc/56/42/72/551564272.db2.gz WOUPJWPBMQXEBG-HSZRJFAPSA-N 0 0 500.580 4.858 50 5 KJBARN Cc1csc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)n1 ZINC000000896107 551564247 /nfs/dbraw/zinc/56/42/47/551564247.db2.gz WOUPJWPBMQXEBG-QHCPKHFHSA-N 0 0 500.580 4.858 50 5 KJBARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C1=O)CCCC2 ZINC000000949455 551588790 /nfs/dbraw/zinc/58/87/90/551588790.db2.gz NOPYBGDZQFYFSS-WXFUMESZSA-N 0 0 547.589 4.681 50 5 KJBARN COC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Br ZINC000000979961 551591787 /nfs/dbraw/zinc/59/17/87/551591787.db2.gz BVLZRPQUQWRCJG-LZYBPNLTSA-N 0 0 541.763 4.799 50 5 KJBARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000001021476 551597279 /nfs/dbraw/zinc/59/72/79/551597279.db2.gz CKZKBRHSQVGXJU-UHFFFAOYSA-N 0 0 531.974 4.750 50 5 KJBARN COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(Br)cc(Br)cc1Br ZINC000001023878 551597510 /nfs/dbraw/zinc/59/75/10/551597510.db2.gz SQRCLEHWKYSXOK-UHFFFAOYSA-N 0 0 581.999 4.861 50 5 KJBARN CCOC(=O)CSc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000001025175 551597540 /nfs/dbraw/zinc/59/75/40/551597540.db2.gz OGMIPPDWGLBORX-UHFFFAOYSA-N 0 0 512.515 4.965 50 5 KJBARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1OC ZINC000001031161 551598173 /nfs/dbraw/zinc/59/81/73/551598173.db2.gz LDVAPDRXUQKTLE-UHFFFAOYSA-N 0 0 509.519 4.730 50 5 KJBARN COc1c(Br)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(C)cc(Br)cc1C ZINC000001031346 551598097 /nfs/dbraw/zinc/59/80/97/551598097.db2.gz JWGQBMPMLDGMGK-UHFFFAOYSA-N 0 0 531.157 4.716 50 5 KJBARN Cc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-] ZINC000001033173 551598123 /nfs/dbraw/zinc/59/81/23/551598123.db2.gz MZZOCELBQNDPGL-INIZCTEOSA-N 0 0 535.422 4.945 50 5 KJBARN Cc1nn(-c2ccccc2)c(OC(=O)CCCc2ccccc2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001050282 551599754 /nfs/dbraw/zinc/59/97/54/551599754.db2.gz PYMCCFIZGHLGSE-UHFFFAOYSA-N 0 0 505.552 4.850 50 5 KJBARN Cc1oc2cc(OC(=O)[C@@H](C)NC(=O)OCc3ccccc3)ccc2c(=O)c1-c1ccc([N+](=O)[O-])cc1 ZINC000001050492 551599680 /nfs/dbraw/zinc/59/96/80/551599680.db2.gz DZUIYBLJFPYHFE-MRXNPFEDSA-N 0 0 502.479 4.897 50 5 KJBARN Cc1oc2cc(OC(=O)[C@H](C)NC(=O)OCc3ccccc3)ccc2c(=O)c1-c1ccc([N+](=O)[O-])cc1 ZINC000001050494 551599741 /nfs/dbraw/zinc/59/97/41/551599741.db2.gz DZUIYBLJFPYHFE-INIZCTEOSA-N 0 0 502.479 4.897 50 5 KJBARN O=C(COC(=O)c1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001057883 551600367 /nfs/dbraw/zinc/60/03/67/551600367.db2.gz HRFHBFDUWPXOMU-UHFFFAOYSA-N 0 0 516.289 4.981 50 5 KJBARN CCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000001058456 1067156281 /nfs/dbraw/zinc/15/62/81/1067156281.db2.gz JSGRNWDTCALEMQ-UHFFFAOYSA-N 0 0 563.973 4.733 50 5 KJBARN CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)c4ccc(Br)cc4)n23)CO1 ZINC000001060965 551600833 /nfs/dbraw/zinc/60/08/33/551600833.db2.gz AXAPXKSVIYYFNO-UHFFFAOYSA-N 0 0 529.445 4.576 50 5 KJBARN O=C(c1nn(-c2ccccc2)c2cc([N+](=O)[O-])cc(S(=O)(=O)Cc3ccccc3)c21)N1CCCCC1 ZINC000001072824 551603273 /nfs/dbraw/zinc/60/32/73/551603273.db2.gz DYYXOURNGFKZSV-UHFFFAOYSA-N 0 0 504.568 4.534 50 5 KJBARN COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1OC ZINC000001077199 551604547 /nfs/dbraw/zinc/60/45/47/551604547.db2.gz BZNFWNJBQHXZEJ-QGZVFWFLSA-N 0 0 500.305 4.959 50 5 KJBARN COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1OC ZINC000001077200 551604540 /nfs/dbraw/zinc/60/45/40/551604540.db2.gz BZNFWNJBQHXZEJ-KRWDZBQOSA-N 0 0 500.305 4.959 50 5 KJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl ZINC000001079298 551605562 /nfs/dbraw/zinc/60/55/62/551605562.db2.gz DJRDLXCJVQDSBS-INIZCTEOSA-N 0 0 503.964 4.614 50 5 KJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Cl ZINC000001079300 551605542 /nfs/dbraw/zinc/60/55/42/551605542.db2.gz DJRDLXCJVQDSBS-MRXNPFEDSA-N 0 0 503.964 4.614 50 5 KJBARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccc2c(c1)OCO2 ZINC000001122618 551613318 /nfs/dbraw/zinc/61/33/18/551613318.db2.gz OAYOGPIYZMITFA-QFIPXVFZSA-N 0 0 535.306 4.938 50 5 KJBARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccc2c(c1)OCO2 ZINC000001122620 551613326 /nfs/dbraw/zinc/61/33/26/551613326.db2.gz OAYOGPIYZMITFA-JOCHJYFZSA-N 0 0 535.306 4.938 50 5 KJBARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)cc1OC ZINC000001124415 551613752 /nfs/dbraw/zinc/61/37/52/551613752.db2.gz RQMGJPQAKVSWFA-UHFFFAOYSA-N 0 0 505.556 4.650 50 5 KJBARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001143483 551617601 /nfs/dbraw/zinc/61/76/01/551617601.db2.gz ONSXDFBHZNSZRJ-UHFFFAOYSA-N 0 0 520.489 4.837 50 5 KJBARN C[C@H](NC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000001144862 551617938 /nfs/dbraw/zinc/61/79/38/551617938.db2.gz CPWLPHWHUMUWFD-NRFANRHFSA-N 0 0 558.616 4.920 50 5 KJBARN C[C@@H](NC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000001144863 551618141 /nfs/dbraw/zinc/61/81/41/551618141.db2.gz CPWLPHWHUMUWFD-OAQYLSRUSA-N 0 0 558.616 4.920 50 5 KJBARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccc(C)cc2)cc1Br ZINC000001145820 551618512 /nfs/dbraw/zinc/61/85/12/551618512.db2.gz IYLDJAMEAVVWFE-UHFFFAOYSA-N 0 0 564.414 4.517 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000001146271 551618468 /nfs/dbraw/zinc/61/84/68/551618468.db2.gz JLOUFFDNYNHTMK-UHFFFAOYSA-N 0 0 510.355 4.744 50 5 KJBARN COc1ccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000001173870 551620455 /nfs/dbraw/zinc/62/04/55/551620455.db2.gz DNWHWEILVVRHFS-UHFFFAOYSA-N 0 0 540.381 4.753 50 5 KJBARN COc1cc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc(OC)c1OC ZINC000001184647 551621085 /nfs/dbraw/zinc/62/10/85/551621085.db2.gz WFBLCPSGSRUPHG-UHFFFAOYSA-N 0 0 506.540 4.843 50 5 KJBARN COc1cc(C(=O)c2cc(Br)ccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000001200987 551623335 /nfs/dbraw/zinc/62/33/35/551623335.db2.gz MTZPOAUJAQTYPV-UHFFFAOYSA-N 0 0 545.342 4.632 50 5 KJBARN O=[N+]([O-])c1ccc(OC/C=C2/Oc3c(cc(Br)cc3Br)[C@@H]2N2CCOCC2)cc1 ZINC000001204737 551624260 /nfs/dbraw/zinc/62/42/60/551624260.db2.gz BJELSWMPBQCRNC-PQBYUGMKSA-N 0 0 526.181 4.848 50 5 KJBARN COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000001205843 551624409 /nfs/dbraw/zinc/62/44/09/551624409.db2.gz SVPAHHLVATVDHK-UHFFFAOYSA-N 0 0 540.381 4.753 50 5 KJBARN COc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000001206889 551624807 /nfs/dbraw/zinc/62/48/07/551624807.db2.gz NDLBQGDROVCYEY-UHFFFAOYSA-N 0 0 540.381 4.753 50 5 KJBARN O=C(Nc1ccc(I)cc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1 ZINC000001211424 1067157165 /nfs/dbraw/zinc/15/71/65/1067157165.db2.gz MSSURKMQOAHLLP-SFQUDFHCSA-N 0 0 519.320 4.671 50 5 KJBARN COc1cc(NC(=O)c2cnn3c2N[C@@H](c2cc(OC)c(OC)c(OC)c2)C[C@H]3C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000001214911 551626290 /nfs/dbraw/zinc/62/62/90/551626290.db2.gz ROPMILJZRFXRJB-XLIONFOSSA-N 0 0 551.478 4.738 50 5 KJBARN COc1cc(NC(=O)c2cnn3c2N[C@@H](c2cc(OC)c(OC)c(OC)c2)C[C@@H]3C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000001214912 551626515 /nfs/dbraw/zinc/62/65/15/551626515.db2.gz ROPMILJZRFXRJB-YLJYHZDGSA-N 0 0 551.478 4.738 50 5 KJBARN COc1cc(NC(=O)c2cnn3c2N[C@H](c2cc(OC)c(OC)c(OC)c2)C[C@H]3C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000001214914 551626546 /nfs/dbraw/zinc/62/65/46/551626546.db2.gz ROPMILJZRFXRJB-PXNSSMCTSA-N 0 0 551.478 4.738 50 5 KJBARN COc1cc(NC(=O)c2cnn3c2N[C@H](c2cc(OC)c(OC)c(OC)c2)C[C@@H]3C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000001214916 551626510 /nfs/dbraw/zinc/62/65/10/551626510.db2.gz ROPMILJZRFXRJB-FXAWDEMLSA-N 0 0 551.478 4.738 50 5 KJBARN COc1cc(NC(=O)c2cc3nc(-c4ccc(OC)c(OC)c4)cc(C(F)(F)F)n3n2)cc([N+](=O)[O-])c1 ZINC000001216721 551626900 /nfs/dbraw/zinc/62/69/00/551626900.db2.gz SHICZACVCGMIPW-UHFFFAOYSA-N 0 0 517.420 4.601 50 5 KJBARN O=C(N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000001218771 551627054 /nfs/dbraw/zinc/62/70/54/551627054.db2.gz GRVVKOAFLPTPBL-CQSZACIVSA-N 0 0 573.627 4.612 50 5 KJBARN O=C(N[C@@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000001218772 551627070 /nfs/dbraw/zinc/62/70/70/551627070.db2.gz GRVVKOAFLPTPBL-AWEZNQCLSA-N 0 0 573.627 4.612 50 5 KJBARN O=C(N[C@@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000001218857 551627426 /nfs/dbraw/zinc/62/74/26/551627426.db2.gz MIYRVSJPZYLWGW-AWEZNQCLSA-N 0 0 573.627 4.612 50 5 KJBARN O=C(N[C@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000001218858 551627438 /nfs/dbraw/zinc/62/74/38/551627438.db2.gz MIYRVSJPZYLWGW-CQSZACIVSA-N 0 0 573.627 4.612 50 5 KJBARN O=C(N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000001232096 551629201 /nfs/dbraw/zinc/62/92/01/551629201.db2.gz VVGIVMRCTZOXSH-CQSZACIVSA-N 0 0 526.627 4.770 50 5 KJBARN O=C(N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000001232097 551629166 /nfs/dbraw/zinc/62/91/66/551629166.db2.gz VVGIVMRCTZOXSH-AWEZNQCLSA-N 0 0 526.627 4.770 50 5 KJBARN O=C(N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Br)(Br)Br)c1ccccc1 ZINC000001232306 551629204 /nfs/dbraw/zinc/62/92/04/551629204.db2.gz PWBSPRIHFRWQGY-AWEZNQCLSA-N 0 0 521.991 4.601 50 5 KJBARN O=C(N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Br)(Br)Br)c1ccccc1 ZINC000001232307 551629188 /nfs/dbraw/zinc/62/91/88/551629188.db2.gz PWBSPRIHFRWQGY-CQSZACIVSA-N 0 0 521.991 4.601 50 5 KJBARN Cc1ccc(C(=O)N[C@H](Oc2cccc([N+](=O)[O-])c2)C(Br)(Br)Br)cc1 ZINC000001232310 551629087 /nfs/dbraw/zinc/62/90/87/551629087.db2.gz HNEXAIMZPAGMHI-OAHLLOKOSA-N 0 0 537.002 4.877 50 5 KJBARN Cc1ccc(C(=O)N[C@@H](Oc2cccc([N+](=O)[O-])c2)C(Br)(Br)Br)cc1 ZINC000001232311 551629185 /nfs/dbraw/zinc/62/91/85/551629185.db2.gz HNEXAIMZPAGMHI-HNNXBMFYSA-N 0 0 537.002 4.877 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@H](NC(=O)c1ccccc1Br)C(Cl)(Cl)Cl ZINC000001232498 551629431 /nfs/dbraw/zinc/62/94/31/551629431.db2.gz UPRGSSLDRVPVIL-HNNXBMFYSA-N 0 0 556.653 4.779 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@@H](NC(=O)c1ccccc1Br)C(Cl)(Cl)Cl ZINC000001232499 551629449 /nfs/dbraw/zinc/62/94/49/551629449.db2.gz UPRGSSLDRVPVIL-OAHLLOKOSA-N 0 0 556.653 4.779 50 5 KJBARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C1=O)CCCC2 ZINC000001239885 551630654 /nfs/dbraw/zinc/63/06/54/551630654.db2.gz NOPYBGDZQFYFSS-TZRRMPRUSA-N 0 0 547.589 4.681 50 5 KJBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Br)cc3)N3c4ccccc4C=C[C@@H]23)C1O ZINC000001309252 551639644 /nfs/dbraw/zinc/63/96/44/551639644.db2.gz DETZSMXXXYDDKV-LFBFJMOVSA-N 0 0 558.388 4.938 50 5 KJBARN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000001312646 551639949 /nfs/dbraw/zinc/63/99/49/551639949.db2.gz WGQDQDHECKYEHL-UHFFFAOYSA-N 0 0 573.739 4.825 50 5 KJBARN O=C1N[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=C(O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000001312656 551639925 /nfs/dbraw/zinc/63/99/25/551639925.db2.gz VPRXUYOVNXDRRE-WAOWUJCRSA-N 0 0 509.824 4.817 50 5 KJBARN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000001314236 551639964 /nfs/dbraw/zinc/63/99/64/551639964.db2.gz LEZXTALPEUKNBI-XPNTWCBSSA-N 0 0 572.343 4.652 50 5 KJBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000001314272 551639954 /nfs/dbraw/zinc/63/99/54/551639954.db2.gz ODMPTMZAVMUCBV-KIHHCIJBSA-N 0 0 520.973 4.530 50 5 KJBARN CCOc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OC)c4)[C@@H]3C2=O)c1 ZINC000001314347 551639938 /nfs/dbraw/zinc/63/99/38/551639938.db2.gz AUDIYBOVBGUIKF-WPFOTENUSA-N 0 0 584.379 4.521 50 5 KJBARN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000001315425 551640483 /nfs/dbraw/zinc/64/04/83/551640483.db2.gz DIGVXCALHFPCKR-XPNTWCBSSA-N 0 0 572.343 4.652 50 5 KJBARN COc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000001315479 551640353 /nfs/dbraw/zinc/64/03/53/551640353.db2.gz COHIBGBERYDFRK-UPRLRBBYSA-N 0 0 565.538 4.874 50 5 KJBARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000001316019 551640733 /nfs/dbraw/zinc/64/07/33/551640733.db2.gz ZVDLMIMHKPDZTD-KMDXXIMOSA-N 0 0 568.380 4.816 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1Br ZINC000001316439 551640673 /nfs/dbraw/zinc/64/06/73/551640673.db2.gz LLNFKGPUGXKGRC-WSOYEBOPSA-N 0 0 574.387 4.764 50 5 KJBARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000001316702 551640642 /nfs/dbraw/zinc/64/06/42/551640642.db2.gz TXOPZUAEOPGLDM-SKVJQKLOSA-N 0 0 555.543 4.825 50 5 KJBARN O=C(c1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@@H]1[C@@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000001400470 551661277 /nfs/dbraw/zinc/66/12/77/551661277.db2.gz VNBILZBMIHMUMN-GGAORHGYSA-N 0 0 504.486 4.522 50 5 KJBARN O=C(c1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@@H]1[C@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000001400471 551661240 /nfs/dbraw/zinc/66/12/40/551661240.db2.gz VNBILZBMIHMUMN-FYYLOGMGSA-N 0 0 504.486 4.522 50 5 KJBARN O=C(c1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@H]1[C@@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000001400472 551661289 /nfs/dbraw/zinc/66/12/89/551661289.db2.gz VNBILZBMIHMUMN-GMAHTHKFSA-N 0 0 504.486 4.522 50 5 KJBARN O=C(c1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@H]1[C@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000001400473 551661243 /nfs/dbraw/zinc/66/12/43/551661243.db2.gz VNBILZBMIHMUMN-JTHBVZDNSA-N 0 0 504.486 4.522 50 5 KJBARN CCOc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1 ZINC000001408188 551663486 /nfs/dbraw/zinc/66/34/86/551663486.db2.gz VRMYQDDYEJLBDZ-UHFFFAOYSA-N 0 0 531.546 4.772 50 5 KJBARN O=C(N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000001446577 551674271 /nfs/dbraw/zinc/67/42/71/551674271.db2.gz RTXZUHFPPRRPPZ-CQSZACIVSA-N 0 0 526.627 4.770 50 5 KJBARN O=C(N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000001446578 551674232 /nfs/dbraw/zinc/67/42/32/551674232.db2.gz RTXZUHFPPRRPPZ-AWEZNQCLSA-N 0 0 526.627 4.770 50 5 KJBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000001449266 551674585 /nfs/dbraw/zinc/67/45/85/551674585.db2.gz DBMSJWYUWDJHKB-UHFFFAOYSA-N 0 0 516.554 4.809 50 5 KJBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000001449310 551674878 /nfs/dbraw/zinc/67/48/78/551674878.db2.gz TWLJRCWUIKSLLT-UHFFFAOYSA-N 0 0 516.554 4.809 50 5 KJBARN CCOC(=O)c1oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2c(=O)c1-c1ccc(OC)c(OC)c1 ZINC000001463714 551679629 /nfs/dbraw/zinc/67/96/29/551679629.db2.gz FYLWKMGQVPJIOR-UHFFFAOYSA-N 0 0 519.462 4.781 50 5 biogenic KJBARN Cc1nn(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001471314 551680726 /nfs/dbraw/zinc/68/07/26/551680726.db2.gz GBEGEOTZJXPHEB-LJQANCHMSA-N 0 0 521.020 4.706 50 5 KJBARN Cc1nn(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001471315 551680750 /nfs/dbraw/zinc/68/07/50/551680750.db2.gz GBEGEOTZJXPHEB-IBGZPJMESA-N 0 0 521.020 4.706 50 5 KJBARN O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000001517404 551683824 /nfs/dbraw/zinc/68/38/24/551683824.db2.gz GDSVARJHUQPPPG-UHFFFAOYSA-N 0 0 515.503 4.989 50 5 KJBARN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000001621434 551686493 /nfs/dbraw/zinc/68/64/93/551686493.db2.gz HHONHRUOETURRV-UHFFFAOYSA-N 0 0 556.530 4.705 50 5 KJBARN O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(-c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000001621435 551686413 /nfs/dbraw/zinc/68/64/13/551686413.db2.gz WOMWDUOWRCNMHK-UHFFFAOYSA-N 0 0 556.530 4.705 50 5 KJBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)nc21 ZINC000001738842 551691209 /nfs/dbraw/zinc/69/12/09/551691209.db2.gz AXQFAOAMOWYMPK-UHFFFAOYSA-N 0 0 524.580 4.607 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000001760005 551694050 /nfs/dbraw/zinc/69/40/50/551694050.db2.gz XPQPLELRAKRXDV-YMSBRDKKSA-N 0 0 549.992 4.620 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000001760011 551694115 /nfs/dbraw/zinc/69/41/15/551694115.db2.gz XPQPLELRAKRXDV-IGSWSUAKSA-N 0 0 549.992 4.620 50 5 KJBARN COc1ccc(CCn2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1OC ZINC000001765449 551694870 /nfs/dbraw/zinc/69/48/70/551694870.db2.gz UVWUINUGZBDIPF-UHFFFAOYSA-N 0 0 500.471 4.723 50 5 KJBARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000001794257 551702330 /nfs/dbraw/zinc/70/23/30/551702330.db2.gz MGPDYLOZYAPOHP-UHFFFAOYSA-N 0 0 516.384 4.989 50 5 KJBARN COc1ccc(C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NCCc2ccccc2)cc1 ZINC000001818860 1066197172 /nfs/dbraw/zinc/19/71/72/1066197172.db2.gz VDAHEUCVYPDMHE-LGUFXXKBSA-N 0 0 511.534 4.993 50 5 KJBARN CC1=CC(C)(C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000001820346 551708664 /nfs/dbraw/zinc/70/86/64/551708664.db2.gz IMKUUWIDWQHYOU-UHFFFAOYSA-N 0 0 559.578 4.662 50 5 KJBARN COc1cc(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1O ZINC000001844664 551714509 /nfs/dbraw/zinc/71/45/09/551714509.db2.gz LXQFLUUPOQUGHM-YXDQGSNCSA-N 0 0 590.455 4.704 50 5 KJBARN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1[N+](=O)[O-] ZINC000001847828 551714860 /nfs/dbraw/zinc/71/48/60/551714860.db2.gz CEQLONVWCIDQSO-UHFFFAOYSA-N 0 0 514.947 4.645 50 5 KJBARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1Br ZINC000001858394 551716616 /nfs/dbraw/zinc/71/66/16/551716616.db2.gz SKVBXIWMAIGZMP-UHFFFAOYSA-N 0 0 507.391 4.925 50 5 KJBARN O=C(Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001864607 551717761 /nfs/dbraw/zinc/71/77/61/551717761.db2.gz BORLQIQHJJWDME-UHFFFAOYSA-N 0 0 548.485 4.774 50 5 KJBARN O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000001864774 551717757 /nfs/dbraw/zinc/71/77/57/551717757.db2.gz LNRPHIKGAOJIMS-UHFFFAOYSA-N 0 0 537.706 4.552 50 5 KJBARN O=c1/c(=C/c2ccc(O)c(Br)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000001866544 551718210 /nfs/dbraw/zinc/71/82/10/551718210.db2.gz SXUREMOKUCYGDJ-PLQXQRLBSA-N 0 0 560.429 4.695 50 5 KJBARN O=c1/c(=C/c2ccc(O)c(Br)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000001866550 551718168 /nfs/dbraw/zinc/71/81/68/551718168.db2.gz SXUREMOKUCYGDJ-VVNKCDPRSA-N 0 0 560.429 4.695 50 5 KJBARN O=C1CN(CCc2ccc(Cl)cc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc([N+](=O)[O-])cc3)N12 ZINC000001875354 551721924 /nfs/dbraw/zinc/72/19/24/551721924.db2.gz BWKYODHMXDNCEG-RPLLCQBOSA-N 0 0 514.969 4.657 50 5 biogenic KJBARN O=C1CN(CCc2ccc(Cl)cc2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc([N+](=O)[O-])cc3)N12 ZINC000001875355 551721931 /nfs/dbraw/zinc/72/19/31/551721931.db2.gz BWKYODHMXDNCEG-SHQCIBLASA-N 0 0 514.969 4.657 50 5 KJBARN O=C1CN(CCc2ccc(Cl)cc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc([N+](=O)[O-])cc3)N12 ZINC000001875356 551721910 /nfs/dbraw/zinc/72/19/10/551721910.db2.gz BWKYODHMXDNCEG-IGKIAQTJSA-N 0 0 514.969 4.657 50 5 biogenic KJBARN O=C1CN(CCc2ccc(Cl)cc2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc([N+](=O)[O-])cc3)N12 ZINC000001875357 551721905 /nfs/dbraw/zinc/72/19/05/551721905.db2.gz BWKYODHMXDNCEG-SQHAQQRYSA-N 0 0 514.969 4.657 50 5 KJBARN O=c1/c(=C/c2cc(Br)ccc2O)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000001880697 551723972 /nfs/dbraw/zinc/72/39/72/551723972.db2.gz PGSCWQKKEULUAG-PNZYDNNZSA-N 0 0 560.429 4.695 50 5 KJBARN O=c1/c(=C/c2cc(Br)ccc2O)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000001880702 551724008 /nfs/dbraw/zinc/72/40/08/551724008.db2.gz PGSCWQKKEULUAG-CBYYHRJHSA-N 0 0 560.429 4.695 50 5 KJBARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000001891938 551726697 /nfs/dbraw/zinc/72/66/97/551726697.db2.gz VBJSCQLMYZXSAO-UHFFFAOYSA-N 0 0 504.933 4.753 50 5 KJBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(CCCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000001907474 551732993 /nfs/dbraw/zinc/73/29/93/551732993.db2.gz AIVABJWGFMNMED-UHFFFAOYSA-N 0 0 522.901 4.880 50 5 KJBARN O=c1c2ccc3c(=O)n(-c4ccccc4)c(=O)c4c(Nc5ccccc5)cc(c(=O)n1-c1ccccc1)c2c34 ZINC000002025012 551736456 /nfs/dbraw/zinc/73/64/56/551736456.db2.gz XJAVGUDUSJPHPZ-UHFFFAOYSA-N 0 0 509.521 4.788 50 5 KJBARN Cc1cccc(NS(=O)(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])c5c([N+](=O)[O-])ccc(c45)C3=O)cc2)c1 ZINC000002053204 551739177 /nfs/dbraw/zinc/73/91/77/551739177.db2.gz WGTUWOYKLISQQK-UHFFFAOYSA-N 0 0 532.490 4.566 50 5 KJBARN Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])c5c([N+](=O)[O-])ccc(c45)C3=O)cc2)cc1C ZINC000002053205 551739186 /nfs/dbraw/zinc/73/91/86/551739186.db2.gz ZLHXBNYEJPOLQP-UHFFFAOYSA-N 0 0 546.517 4.874 50 5 KJBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2c(c1)-c1cc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)ccc1C2 ZINC000002059332 551741286 /nfs/dbraw/zinc/74/12/86/551741286.db2.gz OPOJNCIAFNZJLZ-UHFFFAOYSA-N 0 0 546.451 4.675 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000002059494 551741420 /nfs/dbraw/zinc/74/14/20/551741420.db2.gz ZORRGGKEHBGHGO-PNZYDNNZSA-N 0 0 580.018 4.629 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002059496 551741436 /nfs/dbraw/zinc/74/14/36/551741436.db2.gz ZORRGGKEHBGHGO-CBYYHRJHSA-N 0 0 580.018 4.629 50 5 KJBARN COC(=O)c1c(NC(=O)COc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)sc2c1CCCC2 ZINC000002062063 551743146 /nfs/dbraw/zinc/74/31/46/551743146.db2.gz DYDKEDJBPRXRES-UHFFFAOYSA-N 0 0 509.540 4.592 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000002062206 551743151 /nfs/dbraw/zinc/74/31/51/551743151.db2.gz NFHRDPQACHMXGN-PNZYDNNZSA-N 0 0 580.018 4.629 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002062208 551743125 /nfs/dbraw/zinc/74/31/25/551743125.db2.gz NFHRDPQACHMXGN-CBYYHRJHSA-N 0 0 580.018 4.629 50 5 KJBARN O=C1NC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)NC2=O)cc1 ZINC000002065162 551744960 /nfs/dbraw/zinc/74/49/60/551744960.db2.gz KDMQATLBYUAION-LQGKIZFRSA-N 0 0 577.340 4.645 50 5 KJBARN O=C1NC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)NC2=O)cc1 ZINC000002065165 551744896 /nfs/dbraw/zinc/74/48/96/551744896.db2.gz KDMQATLBYUAION-QJUDHZBZSA-N 0 0 577.340 4.645 50 5 KJBARN CCOC(=O)c1c2ccc(Br)c(OCC(=O)c3ccc([N+](=O)[O-])cc3)c2sc1NC(C)=O ZINC000002075295 551749753 /nfs/dbraw/zinc/74/97/53/551749753.db2.gz KHMOLMGINZXGDF-UHFFFAOYSA-N 0 0 521.345 4.969 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002075649 551749916 /nfs/dbraw/zinc/74/99/16/551749916.db2.gz VIHWYVQLKZSPIB-VPHSIRQSSA-N 0 0 548.620 4.833 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002075651 551749927 /nfs/dbraw/zinc/74/99/27/551749927.db2.gz VIHWYVQLKZSPIB-YVBHXKDBSA-N 0 0 548.620 4.833 50 5 KJBARN O=C(Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000002086494 551756400 /nfs/dbraw/zinc/75/64/00/551756400.db2.gz WUNHEWDCCRNBJI-UHFFFAOYSA-N 0 0 517.498 4.634 50 5 KJBARN O=C(NCc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000002087605 551757032 /nfs/dbraw/zinc/75/70/32/551757032.db2.gz DOSCCAIIJSGKKN-UHFFFAOYSA-N 0 0 503.298 4.670 50 5 KJBARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000002091449 551758893 /nfs/dbraw/zinc/75/88/93/551758893.db2.gz ODGADALVOLGGGC-UHFFFAOYSA-N 0 0 536.353 4.793 50 5 KJBARN COc1ccc2c3ccc(OC(=O)[C@H](CC(C)C)NS(=O)(=O)c4ccc(C)cc4)cc3oc(=O)c2c1 ZINC000002091815 551758881 /nfs/dbraw/zinc/75/88/81/551758881.db2.gz LBSZMSXOVWRAKD-DEOSSOPVSA-N 0 0 509.580 4.562 50 5 biogenic KJBARN COc1ccc2c3ccc(OC(=O)[C@@H](CC(C)C)NS(=O)(=O)c4ccc(C)cc4)cc3oc(=O)c2c1 ZINC000002091818 551758876 /nfs/dbraw/zinc/75/88/76/551758876.db2.gz LBSZMSXOVWRAKD-XMMPIXPASA-N 0 0 509.580 4.562 50 5 KJBARN CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3ccc(OC)cc3c(=O)oc2c1C ZINC000002092464 551759336 /nfs/dbraw/zinc/75/93/36/551759336.db2.gz XUGALSPKZBREAH-QHCPKHFHSA-N 0 0 509.580 4.624 50 5 biogenic KJBARN CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3ccc(OC)cc3c(=O)oc2c1C ZINC000002092465 551759263 /nfs/dbraw/zinc/75/92/63/551759263.db2.gz XUGALSPKZBREAH-HSZRJFAPSA-N 0 0 509.580 4.624 50 5 biogenic KJBARN COc1ccc2c3ccc(OC(=O)[C@H](Cc4ccccc4)NS(=O)(=O)c4ccc(C)cc4)cc3oc(=O)c2c1 ZINC000002093052 551759792 /nfs/dbraw/zinc/75/97/92/551759792.db2.gz OXUCTGCTQCWWLJ-MHZLTWQESA-N 0 0 543.597 4.758 50 5 biogenic KJBARN COc1ccc2c3ccc(OC(=O)[C@@H](Cc4ccccc4)NS(=O)(=O)c4ccc(C)cc4)cc3oc(=O)c2c1 ZINC000002093054 551759777 /nfs/dbraw/zinc/75/97/77/551759777.db2.gz OXUCTGCTQCWWLJ-HHHXNRCGSA-N 0 0 543.597 4.758 50 5 KJBARN O=C1CN(Cc2ccc(Cl)cc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000002093539 551759985 /nfs/dbraw/zinc/75/99/85/551759985.db2.gz KIUNWIKMKZTTRS-JYFHCDHNSA-N 0 0 500.942 4.615 50 5 biogenic KJBARN O=C1CN(Cc2ccc(Cl)cc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000002093541 551759975 /nfs/dbraw/zinc/75/99/75/551759975.db2.gz KIUNWIKMKZTTRS-OZXSUGGESA-N 0 0 500.942 4.615 50 5 biogenic KJBARN CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc21 ZINC000002093953 551760133 /nfs/dbraw/zinc/76/01/33/551760133.db2.gz RIFJSSDJTDTUSJ-DEOSSOPVSA-N 0 0 509.580 4.706 50 5 biogenic KJBARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc21 ZINC000002093955 551760082 /nfs/dbraw/zinc/76/00/82/551760082.db2.gz RIFJSSDJTDTUSJ-XMMPIXPASA-N 0 0 509.580 4.706 50 5 biogenic KJBARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc21 ZINC000002094435 551760464 /nfs/dbraw/zinc/76/04/64/551760464.db2.gz KZJDIHYBFQCOAJ-NSYGIPOTSA-N 0 0 509.580 4.562 50 5 biogenic KJBARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc21 ZINC000002094437 551760459 /nfs/dbraw/zinc/76/04/59/551760459.db2.gz KZJDIHYBFQCOAJ-GKVSMKOHSA-N 0 0 509.580 4.562 50 5 KJBARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc21 ZINC000002094439 551760457 /nfs/dbraw/zinc/76/04/57/551760457.db2.gz KZJDIHYBFQCOAJ-CRICUBBOSA-N 0 0 509.580 4.562 50 5 KJBARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc21 ZINC000002094441 551760434 /nfs/dbraw/zinc/76/04/34/551760434.db2.gz KZJDIHYBFQCOAJ-SSOJOUAXSA-N 0 0 509.580 4.562 50 5 KJBARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc32)cc1 ZINC000002095238 551761089 /nfs/dbraw/zinc/76/10/89/551761089.db2.gz WWORIEMWFXTLBS-SANMLTNESA-N 0 0 513.571 4.750 50 5 biogenic KJBARN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc32)cc1 ZINC000002095239 551761061 /nfs/dbraw/zinc/76/10/61/551761061.db2.gz WWORIEMWFXTLBS-AREMUKBSSA-N 0 0 513.571 4.750 50 5 KJBARN COc1ccc2c3ccc(OC(=O)[C@H](CC(C)C)NS(=O)(=O)c4ccc(C)cc4)c(C)c3oc(=O)c2c1 ZINC000002095727 551761462 /nfs/dbraw/zinc/76/14/62/551761462.db2.gz NTHGNNKZEXPSDJ-DEOSSOPVSA-N 0 0 523.607 4.870 50 5 biogenic KJBARN COc1ccc2c3ccc(OC(=O)[C@@H](CC(C)C)NS(=O)(=O)c4ccc(C)cc4)c(C)c3oc(=O)c2c1 ZINC000002095728 551761494 /nfs/dbraw/zinc/76/14/94/551761494.db2.gz NTHGNNKZEXPSDJ-XMMPIXPASA-N 0 0 523.607 4.870 50 5 KJBARN O=C(NCc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000002101040 551762279 /nfs/dbraw/zinc/76/22/79/551762279.db2.gz GYAFLCUFHNDTQT-UHFFFAOYSA-N 0 0 503.298 4.670 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1 ZINC000002110260 551766915 /nfs/dbraw/zinc/76/69/15/551766915.db2.gz JDDOVRRLPJMCPB-PNZYDNNZSA-N 0 0 580.018 4.532 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002110265 551766929 /nfs/dbraw/zinc/76/69/29/551766929.db2.gz JDDOVRRLPJMCPB-CBYYHRJHSA-N 0 0 580.018 4.532 50 5 KJBARN CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2Cl)cc1[N+](=O)[O-] ZINC000002145010 551775718 /nfs/dbraw/zinc/77/57/18/551775718.db2.gz RKVSMESCVVYZTQ-UHFFFAOYSA-N 0 0 510.963 4.816 50 5 KJBARN O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000002147546 551776515 /nfs/dbraw/zinc/77/65/15/551776515.db2.gz GMFNNXOHJCRCHV-UHFFFAOYSA-N 0 0 528.271 4.558 50 5 KJBARN O=C(COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000002147552 551776543 /nfs/dbraw/zinc/77/65/43/551776543.db2.gz SXNAAAAGMDNTAN-UHFFFAOYSA-N 0 0 528.271 4.558 50 5 KJBARN COc1ccc2c3ccc(OC(=O)CCCCCNS(=O)(=O)c4ccc(C)cc4)cc3oc(=O)c2c1 ZINC000002147712 551776526 /nfs/dbraw/zinc/77/65/26/551776526.db2.gz XMOJFNOXSVBGLP-UHFFFAOYSA-N 0 0 509.580 4.708 50 5 biogenic KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002148305 551776766 /nfs/dbraw/zinc/77/67/66/551776766.db2.gz QRYAATDOXSECPJ-LAUBZIAYSA-N 0 0 599.665 4.684 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000002148315 551776785 /nfs/dbraw/zinc/77/67/85/551776785.db2.gz QRYAATDOXSECPJ-HDFSHUSISA-N 0 0 599.665 4.684 50 5 KJBARN O=C1CN(Cc2ccccc2Cl)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000002149584 551777819 /nfs/dbraw/zinc/77/78/19/551777819.db2.gz TXRMVICKKCKMHD-JYFHCDHNSA-N 0 0 500.942 4.615 50 5 biogenic KJBARN O=C1CN(Cc2ccccc2Cl)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000002149586 551777822 /nfs/dbraw/zinc/77/78/22/551777822.db2.gz TXRMVICKKCKMHD-OZXSUGGESA-N 0 0 500.942 4.615 50 5 biogenic KJBARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3ccc(OC)cc3c(=O)oc2c1C ZINC000002149684 551777784 /nfs/dbraw/zinc/77/77/84/551777784.db2.gz HSYVSTOKIURTQV-NSYGIPOTSA-N 0 0 523.607 4.870 50 5 biogenic KJBARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3ccc(OC)cc3c(=O)oc2c1C ZINC000002149687 551777821 /nfs/dbraw/zinc/77/78/21/551777821.db2.gz HSYVSTOKIURTQV-GKVSMKOHSA-N 0 0 523.607 4.870 50 5 KJBARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3ccc(OC)cc3c(=O)oc2c1C ZINC000002149690 551777808 /nfs/dbraw/zinc/77/78/08/551777808.db2.gz HSYVSTOKIURTQV-CRICUBBOSA-N 0 0 523.607 4.870 50 5 KJBARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3ccc(OC)cc3c(=O)oc2c1C ZINC000002149692 551777786 /nfs/dbraw/zinc/77/77/86/551777786.db2.gz HSYVSTOKIURTQV-SSOJOUAXSA-N 0 0 523.607 4.870 50 5 KJBARN COc1ccc2c3ccc(OC(=O)[C@H](CCSC)NC(=O)OCc4ccccc4)cc3oc(=O)c2c1 ZINC000002151727 551778530 /nfs/dbraw/zinc/77/85/30/551778530.db2.gz IERATZDEWWWGDU-QHCPKHFHSA-N 0 0 507.564 4.908 50 5 biogenic KJBARN O=c1/c(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000002156710 551779707 /nfs/dbraw/zinc/77/97/07/551779707.db2.gz LTUQFINOHWIOIX-WYLTYJJASA-N 0 0 543.988 4.609 50 5 KJBARN O=c1/c(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000002156718 551779702 /nfs/dbraw/zinc/77/97/02/551779702.db2.gz LTUQFINOHWIOIX-HJUDQDPUSA-N 0 0 543.988 4.609 50 5 KJBARN COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] ZINC000002156771 551779683 /nfs/dbraw/zinc/77/96/83/551779683.db2.gz OOSRWLWMJJSMLW-KMBIYUNPSA-N 0 0 530.005 4.889 50 5 KJBARN COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] ZINC000002156776 551779742 /nfs/dbraw/zinc/77/97/42/551779742.db2.gz OOSRWLWMJJSMLW-GVMLUORFSA-N 0 0 530.005 4.889 50 5 KJBARN COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC ZINC000002157801 551780099 /nfs/dbraw/zinc/78/00/99/551780099.db2.gz GWWUCXIVFDWBDF-UNOMPAQXSA-N 0 0 526.343 4.784 50 5 KJBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1c(Br)cc(Br)c2cccnc21 ZINC000002187754 551788137 /nfs/dbraw/zinc/78/81/37/551788137.db2.gz IQJDGOYEVLVGNM-UHFFFAOYSA-N 0 0 502.140 4.744 50 5 KJBARN CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@]2(S1)SC(C(=O)OCC)=C(C)N2c1ccccc1 ZINC000002200823 551792665 /nfs/dbraw/zinc/79/26/65/551792665.db2.gz ZRADIRNPXJTTMK-QHCPKHFHSA-N 0 0 514.585 4.684 50 5 KJBARN CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@]2(S1)SC(C(=O)OCC)=C(C)N2c1ccccc1 ZINC000002200824 551792706 /nfs/dbraw/zinc/79/27/06/551792706.db2.gz ZRADIRNPXJTTMK-HSZRJFAPSA-N 0 0 514.585 4.684 50 5 KJBARN CSc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc([N+](=O)[O-])cc4)n21)CC(C)(C)OC3 ZINC000002220586 551796022 /nfs/dbraw/zinc/79/60/22/551796022.db2.gz TWGIRTNDVNXKDI-UHFFFAOYSA-N 0 0 501.615 4.795 50 5 KJBARN Cn1nc(-c2ccc(N3CCCCC3)c(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2)c2ccccc2c1=O ZINC000002225833 551796799 /nfs/dbraw/zinc/79/67/99/551796799.db2.gz FGKYHEHPZXFEIT-UHFFFAOYSA-N 0 0 513.554 4.517 50 5 KJBARN COc1ccc(CCn2c3nc4ccccc4nc3c3c2ncn(Cc2ccc(C)cc2)c3=O)cc1OC ZINC000002253785 551802139 /nfs/dbraw/zinc/80/21/39/551802139.db2.gz AHDNFZGLGMKTAN-UHFFFAOYSA-N 0 0 505.578 4.911 50 5 KJBARN CCc1nc2c(c3nc4ccccc4nc3n2Cc2ccc(OC)cc2)c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000002261117 552084178 /nfs/dbraw/zinc/08/41/78/552084178.db2.gz WFSCAPGEIBSJFX-UHFFFAOYSA-N 0 0 519.561 4.691 50 5 KJBARN CCc1nc2c(c3nc4ccccc4nc3n2Cc2ccc3c(c2)OCO3)c(=O)n1CCc1ccccc1 ZINC000002262367 552084989 /nfs/dbraw/zinc/08/49/89/552084989.db2.gz RYMFSDHYFBIMHT-UHFFFAOYSA-N 0 0 503.562 4.877 50 5 KJBARN CCc1nc2c(c3nc4ccccc4nc3n2-c2ccc(OC)cc2)c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000002269098 552085724 /nfs/dbraw/zinc/08/57/24/552085724.db2.gz HRWYPOKMPYYYJE-UHFFFAOYSA-N 0 0 505.534 4.632 50 5 KJBARN O=C(COC(=O)C(=Cc1ccccc1)NC(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000002283884 551806456 /nfs/dbraw/zinc/80/64/56/551806456.db2.gz WAOHHXJNVZOOMJ-STZFKDTASA-N 0 0 509.312 4.554 50 5 KJBARN COC(=O)[C@@](C)(Cl)Cc1ccc(-c2ccc(C[C@](C)(Cl)C(=O)OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000002291600 552088605 /nfs/dbraw/zinc/08/86/05/552088605.db2.gz VONXVTILCSXAJC-VXKWHMMOSA-N 0 0 513.330 4.596 50 5 KJBARN COC(=O)[C@](C)(Cl)Cc1ccc(-c2ccc(C[C@@](C)(Cl)C(=O)OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000002291601 552088595 /nfs/dbraw/zinc/08/85/95/552088595.db2.gz VONXVTILCSXAJC-FGZHOGPDSA-N 0 0 513.330 4.596 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000002309449 551808957 /nfs/dbraw/zinc/80/89/57/551808957.db2.gz XHMWNEJMIDJQNK-YMSBRDKKSA-N 0 0 549.992 4.620 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002309451 551808984 /nfs/dbraw/zinc/80/89/84/551808984.db2.gz XHMWNEJMIDJQNK-IGSWSUAKSA-N 0 0 549.992 4.620 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000002343808 552098556 /nfs/dbraw/zinc/09/85/56/552098556.db2.gz OMSMCQLJXGDBEC-BASZQKTHSA-N 0 0 541.585 4.632 50 5 KJBARN CCOC(=O)c1ccc(-n2cnc3c(c4nc5ccccc5nc4n3Cc3ccc(OC)cc3)c2=O)cc1 ZINC000002371077 552105342 /nfs/dbraw/zinc/10/53/42/552105342.db2.gz QJFMAPAMVWZPKY-UHFFFAOYSA-N 0 0 505.534 4.517 50 5 KJBARN O=C(Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc1-2)c1ccc([N+](=O)[O-])cc1 ZINC000002372367 552105691 /nfs/dbraw/zinc/10/56/91/552105691.db2.gz BEGLDZVKCYJFMP-UHFFFAOYSA-N 0 0 544.501 4.821 50 5 KJBARN CCOC(=O)c1ccc(-n2cnc3c(c4nc5ccccc5nc4n3Cc3ccccc3OC)c2=O)cc1 ZINC000002378141 552107154 /nfs/dbraw/zinc/10/71/54/552107154.db2.gz SIWHDHUQOYMSAD-UHFFFAOYSA-N 0 0 505.534 4.517 50 5 KJBARN O=C(CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CCCC3)c1ccc([N+](=O)[O-])cc1 ZINC000002378156 552107163 /nfs/dbraw/zinc/10/71/63/552107163.db2.gz VEEJYRFAMXONOF-UHFFFAOYSA-N 0 0 517.592 4.857 50 5 KJBARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000002430604 552117655 /nfs/dbraw/zinc/11/76/55/552117655.db2.gz HDQFFEWVVXIMCS-RZNYTTDSSA-N 0 0 542.979 4.571 50 5 KJBARN Cn1c(=O)c2cc3c(Cl)cc(Cl)cc3nc2c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21 ZINC000002570398 552129993 /nfs/dbraw/zinc/12/99/93/552129993.db2.gz VEUKCLFDPYTOTD-UHFFFAOYSA-N 0 0 515.356 4.849 50 5 KJBARN COc1ccc(-c2cc(-c3nnc(COC(=O)c4ccc([N+](=O)[O-])o4)o3)c3ccccc3n2)cc1OC ZINC000002636600 552141313 /nfs/dbraw/zinc/14/13/13/552141313.db2.gz IMDSYRWDLHHYRT-UHFFFAOYSA-N 0 0 502.439 4.827 50 5 KJBARN O=C(COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc2c(c1)OCO2 ZINC000002637215 552141541 /nfs/dbraw/zinc/14/15/41/552141541.db2.gz RVAPXDKDHHSZNZ-UHFFFAOYSA-N 0 0 534.468 4.967 50 5 KJBARN O=C(OCn1nnc2ccccc2c1=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000002637803 552141792 /nfs/dbraw/zinc/14/17/92/552141792.db2.gz MPHBEQREWTYFQT-UHFFFAOYSA-N 0 0 502.430 4.684 50 5 KJBARN O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000002637973 552141814 /nfs/dbraw/zinc/14/18/14/552141814.db2.gz WUNMHQIELXIHPT-UHFFFAOYSA-N 0 0 540.897 4.793 50 5 KJBARN NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000002640687 552143074 /nfs/dbraw/zinc/14/30/74/552143074.db2.gz XOCDDRFATZGMEQ-UHFFFAOYSA-N 0 0 525.486 4.721 50 5 KJBARN COc1ccc(CN2C(=O)c3ccccc3/C(=C\c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000002645663 552144842 /nfs/dbraw/zinc/14/48/42/552144842.db2.gz VCKFAHYINOXEHM-LPYMAVHISA-N 0 0 527.562 4.606 50 5 KJBARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002653122 552147532 /nfs/dbraw/zinc/14/75/32/552147532.db2.gz WJSLDAZMVNOSAG-UHFFFAOYSA-N 0 0 522.775 4.862 50 5 KJBARN Cn1cnnc1Sc1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3nc(C(F)(F)F)nn32)cc1[N+](=O)[O-] ZINC000002654171 552148001 /nfs/dbraw/zinc/14/80/01/552148001.db2.gz UTOYFYASZQRNEO-OAHLLOKOSA-N 0 0 518.456 4.680 50 5 KJBARN O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002659807 552149976 /nfs/dbraw/zinc/14/99/76/552149976.db2.gz ADKGDRRJKQJAGU-GZTJUZNOSA-N 0 0 561.644 4.730 50 5 KJBARN O=C(COC(=O)/C(=C\c1cccs1)c1cccs1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002659808 1066513570 /nfs/dbraw/zinc/51/35/70/1066513570.db2.gz ADKGDRRJKQJAGU-BOPFTXTBSA-N 0 0 561.644 4.730 50 5 KJBARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000002659876 552150235 /nfs/dbraw/zinc/15/02/35/552150235.db2.gz XGJIXUDROGFMCM-UHFFFAOYSA-N 0 0 578.987 4.618 50 5 KJBARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)n2c(=O)/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2=N1 ZINC000002671783 552153146 /nfs/dbraw/zinc/15/31/46/552153146.db2.gz GNWQHZBEJOJGDF-RWTNITNYSA-N 0 0 549.630 4.664 50 5 KJBARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)n2c(=O)/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2=N1 ZINC000002671785 552153110 /nfs/dbraw/zinc/15/31/10/552153110.db2.gz GNWQHZBEJOJGDF-MFUBYVTQSA-N 0 0 549.630 4.664 50 5 KJBARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)n2c(=O)/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2=N1 ZINC000002671787 552153150 /nfs/dbraw/zinc/15/31/50/552153150.db2.gz GQWDCKVIKATTLT-RWTNITNYSA-N 0 0 549.630 4.664 50 5 KJBARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)n2c(=O)/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2=N1 ZINC000002671789 552153132 /nfs/dbraw/zinc/15/31/32/552153132.db2.gz GQWDCKVIKATTLT-MFUBYVTQSA-N 0 0 549.630 4.664 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000002683590 552156272 /nfs/dbraw/zinc/15/62/72/552156272.db2.gz ZASYSDFDGZVLSH-GJFKPFFXSA-N 0 0 561.641 4.688 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000002683592 552156216 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552313619 /nfs/dbraw/zinc/31/36/19/552313619.db2.gz WFIYXIUWXWLVGW-UHFFFAOYSA-N 0 0 522.517 4.552 50 5 KJBARN O=C(NCCCOC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000003235932 552316829 /nfs/dbraw/zinc/31/68/29/552316829.db2.gz JEPKSRRLZHILBN-UHFFFAOYSA-N 0 0 505.914 4.714 50 5 KJBARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000003240523 552318301 /nfs/dbraw/zinc/31/83/01/552318301.db2.gz LBQVOVDUWGQAOX-SKTWIKFTSA-N 0 0 539.548 4.990 50 5 KJBARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000003240525 552318279 /nfs/dbraw/zinc/31/82/79/552318279.db2.gz LBQVOVDUWGQAOX-KZIRBZLESA-N 0 0 539.548 4.990 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CSc1ccc2ccccc2c1Br ZINC000003241866 552318889 /nfs/dbraw/zinc/31/88/89/552318889.db2.gz LRYMRMHZYAQASR-UHFFFAOYSA-N 0 0 505.346 4.793 50 5 KJBARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 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O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000003288581 552339086 /nfs/dbraw/zinc/33/90/86/552339086.db2.gz ZUTLKSFKFXPLCG-UHFFFAOYSA-N 0 0 526.534 4.762 50 5 KJBARN O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000003288638 552339107 /nfs/dbraw/zinc/33/91/07/552339107.db2.gz DPLOUFXNGUWELZ-UHFFFAOYSA-N 0 0 537.984 4.548 50 5 KJBARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000003289525 552339774 /nfs/dbraw/zinc/33/97/74/552339774.db2.gz OPIKWSWZCARNGZ-AWEZNQCLSA-N 0 0 509.902 4.622 50 5 aggregator KJBARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000003289527 552339743 /nfs/dbraw/zinc/33/97/43/552339743.db2.gz OPIKWSWZCARNGZ-CQSZACIVSA-N 0 0 509.902 4.622 50 5 aggregator KJBARN CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000003290631 552340743 /nfs/dbraw/zinc/34/07/43/552340743.db2.gz UINBOMWPDJZSSO-UHFFFAOYSA-N 0 0 516.630 4.848 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O=C(NCCOc1ccccc1Cl)c1cc(C(=O)NCCOc2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000008856074 553167285 /nfs/dbraw/zinc/16/72/85/553167285.db2.gz LMHHUDFCDWBFOS-UHFFFAOYSA-N 0 0 518.353 4.519 50 5 KJBARN CCOP(=O)(OCC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCCc1ccc(OC)c(OC)c1 ZINC000008868902 553171079 /nfs/dbraw/zinc/17/10/79/553171079.db2.gz ORZUGCXNAMRSJK-UHFFFAOYSA-N 0 0 505.464 4.813 50 5 KJBARN CCOC(=O)c1ccc(Cn2c3cc([N+](=O)[O-])ccc3c3nn4cc(-c5ccc(OC)cc5)nc4nc32)o1 ZINC000008873007 1066517230 /nfs/dbraw/zinc/51/72/30/1066517230.db2.gz CIOGMKDDPYSABJ-UHFFFAOYSA-N 0 0 512.482 4.634 50 5 KJBARN O=c1c2cc(I)ccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000008914846 553186067 /nfs/dbraw/zinc/18/60/67/553186067.db2.gz CDUPKZKOFPWQTB-KGVSQERTSA-N 0 0 511.275 4.775 50 5 KJBARN COc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NCCc2ccccc2)cc1 ZINC000008915612 553186295 /nfs/dbraw/zinc/18/62/95/553186295.db2.gz VDAHEUCVYPDMHE-XHPQRKPJSA-N 0 0 511.534 4.993 50 5 KJBARN CC(C)C[C@@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)OCc1ccccc1 ZINC000008921152 553189756 /nfs/dbraw/zinc/18/97/56/553189756.db2.gz DNQCNBOLIADMPP-QQNZBJPCSA-N 0 0 515.566 4.640 50 5 KJBARN O=C(CCC(=O)OCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc(Cl)c1 ZINC000008921632 553189735 /nfs/dbraw/zinc/18/97/35/553189735.db2.gz GUKGWCNMFSEEGE-UHFFFAOYSA-N 0 0 510.886 4.612 50 5 KJBARN COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000008922951 553190225 /nfs/dbraw/zinc/19/02/25/553190225.db2.gz DWNJGAPAOLKPAV-DEOSSOPVSA-N 0 0 501.322 4.918 50 5 KJBARN COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000008922954 553190291 /nfs/dbraw/zinc/19/02/91/553190291.db2.gz DWNJGAPAOLKPAV-XMMPIXPASA-N 0 0 501.322 4.918 50 5 KJBARN CC(C)C[C@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)OCc1ccccc1 ZINC000008925987 553190989 /nfs/dbraw/zinc/19/09/89/553190989.db2.gz DNQCNBOLIADMPP-XJMDBVJMSA-N 0 0 515.566 4.640 50 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KJBARN O=C(CSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000008935204 553193507 /nfs/dbraw/zinc/19/35/07/553193507.db2.gz BAWILINVOQJLJN-UHFFFAOYSA-N 0 0 511.357 4.787 50 5 KJBARN C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000008974868 553195758 /nfs/dbraw/zinc/19/57/58/553195758.db2.gz RUIHMIZKDMVIAA-CLOONOSVSA-N 0 0 510.550 4.942 50 5 KJBARN C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000008974869 553196107 /nfs/dbraw/zinc/19/61/07/553196107.db2.gz RUIHMIZKDMVIAA-DFBJGRDBSA-N 0 0 510.550 4.942 50 5 KJBARN Cc1c(NC(=O)/C=C\c2cccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000008995274 553197077 /nfs/dbraw/zinc/19/70/77/553197077.db2.gz LSRRNIVPNLSVDC-QXMHVHEDSA-N 0 0 515.482 4.745 50 5 KJBARN CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)SC(C(=O)OCC)=C(C)N2c1ccccc1 ZINC000009009397 553199257 /nfs/dbraw/zinc/19/92/57/553199257.db2.gz PXRJFLAHUYUURM-QHCPKHFHSA-N 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/nfs/dbraw/zinc/21/08/04/553210804.db2.gz CKIOAJOYZNESBC-UHFFFAOYSA-N 0 0 519.558 4.519 50 5 KJBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)CCc4ccccc4)c3)CC2)cc1 ZINC000009113679 553210768 /nfs/dbraw/zinc/21/07/68/553210768.db2.gz PMYKUTWCASUAMF-QFIPXVFZSA-N 0 0 508.644 4.847 50 5 KJBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)CCc4ccccc4)c3)CC2)cc1 ZINC000009113681 553210756 /nfs/dbraw/zinc/21/07/56/553210756.db2.gz PMYKUTWCASUAMF-JOCHJYFZSA-N 0 0 508.644 4.847 50 5 KJBARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(O)c2c(c1)oc1c(C)cccc1c2=O ZINC000009128967 553213009 /nfs/dbraw/zinc/21/30/09/553213009.db2.gz XVHYYQYPDUPUHJ-OAQYLSRUSA-N 0 0 509.580 4.711 50 5 KJBARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(O)c2c(c1)oc1c(C)cccc1c2=O ZINC000009129417 553213284 /nfs/dbraw/zinc/21/32/84/553213284.db2.gz GLHHMFXOFPSGJY-UPCLLVRISA-N 0 0 509.580 4.567 50 5 KJBARN CCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)c2)CC1 ZINC000009186785 553217834 /nfs/dbraw/zinc/21/78/34/553217834.db2.gz BOWHICPQNVOCQS-UHFFFAOYSA-N 0 0 517.973 4.673 50 5 KJBARN O=C(CCC(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009203165 553220028 /nfs/dbraw/zinc/22/00/28/553220028.db2.gz GVAIEKPBLRTDSN-UHFFFAOYSA-N 0 0 511.874 4.968 50 5 KJBARN CC(=O)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009210683 553220903 /nfs/dbraw/zinc/22/09/03/553220903.db2.gz ZMDOZOHHCXQZTJ-KALPRAJFSA-N 0 0 513.937 4.810 50 5 KJBARN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000009232589 553223862 /nfs/dbraw/zinc/22/38/62/553223862.db2.gz QGMWLFNFFJOLEA-OEAKJJBVSA-N 0 0 519.535 4.857 50 5 KJBARN COc1ccc(CCNc2cc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc2[N+](=O)[O-])cc1OC ZINC000009271728 553231287 /nfs/dbraw/zinc/23/12/87/553231287.db2.gz OSRLXGJIGSMJHB-UHFFFAOYSA-N 0 0 525.005 4.882 50 5 KJBARN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1)c1cccs1 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553236782 /nfs/dbraw/zinc/23/67/82/553236782.db2.gz HEGOCVFJBPIRDY-FQEVSTJZSA-N 0 0 517.011 4.543 50 5 KJBARN O=C1N[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000009312513 553240432 /nfs/dbraw/zinc/24/04/32/553240432.db2.gz VPRXUYOVNXDRRE-OPYAIIAOSA-N 0 0 509.824 4.612 50 5 KJBARN O=C1N[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000009312514 553240477 /nfs/dbraw/zinc/24/04/77/553240477.db2.gz VPRXUYOVNXDRRE-UEXGIBASSA-N 0 0 509.824 4.612 50 5 KJBARN O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCN(c4ccccc4)CC3)c2)CC1 ZINC000009313340 553241076 /nfs/dbraw/zinc/24/10/76/553241076.db2.gz FTWVNCJOJFLKGL-UHFFFAOYSA-N 0 0 506.006 4.537 50 5 KJBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4C5CC6CC(C5)CC4C6)c3)CC2)cc1 ZINC000009315862 553241107 /nfs/dbraw/zinc/24/11/07/553241107.db2.gz CMFFWXSBPWSWPT-UHFFFAOYSA-N 0 0 510.660 4.651 50 5 KJBARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000009316947 553241056 /nfs/dbraw/zinc/24/10/56/553241056.db2.gz SOCYVZDCBSTSHI-UHFFFAOYSA-N 0 0 523.033 4.909 50 5 KJBARN COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1OC ZINC000009320163 553241553 /nfs/dbraw/zinc/24/15/53/553241553.db2.gz SWIWKFYOBLSYFK-NRFANRHFSA-N 0 0 521.526 4.629 50 5 KJBARN COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1OC ZINC000009320165 553241542 /nfs/dbraw/zinc/24/15/42/553241542.db2.gz SWIWKFYOBLSYFK-OAQYLSRUSA-N 0 0 521.526 4.629 50 5 KJBARN Cc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2c(c3ccccc3nc2C)C1=O ZINC000009328773 553242040 /nfs/dbraw/zinc/24/20/40/553242040.db2.gz RQZTZPOHRZYHDG-UHFFFAOYSA-N 0 0 509.474 4.600 50 5 KJBARN CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)Nc4cccc5ccccc54)n23)CO1 ZINC000009344984 553244065 /nfs/dbraw/zinc/24/40/65/553244065.db2.gz NFPASLVSFWELEN-UHFFFAOYSA-N 0 0 515.624 4.722 50 5 KJBARN CCOC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)SC(C(=O)OCC)=C(C)N2c1ccccc1 ZINC000009357696 553246906 /nfs/dbraw/zinc/24/69/06/553246906.db2.gz AITOSMJHXXMVCS-QHCPKHFHSA-N 0 0 514.585 4.684 50 5 KJBARN CCOC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)SC(C(=O)OCC)=C(C)N2c1ccccc1 ZINC000009357699 553246903 /nfs/dbraw/zinc/24/69/03/553246903.db2.gz AITOSMJHXXMVCS-HSZRJFAPSA-N 0 0 514.585 4.684 50 5 KJBARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000009359358 553247914 /nfs/dbraw/zinc/24/79/14/553247914.db2.gz SMIGODOUHLLGEG-UHFFFAOYSA-N 0 0 523.033 4.765 50 5 KJBARN COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@H]([N+](=O)[O-])[C@H]3c4ccccc4C=NN32)cc1 ZINC000009359849 553248204 /nfs/dbraw/zinc/24/82/04/553248204.db2.gz QKOKFEDFPJKHSQ-LWSSLDFYSA-N 0 0 506.356 4.843 50 5 KJBARN CC(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N21 ZINC000009360204 553248477 /nfs/dbraw/zinc/24/84/77/553248477.db2.gz HXLIQMCRPKSYOP-LSMVNSQTSA-N 0 0 507.546 4.856 50 5 KJBARN CC(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000009360208 553248330 /nfs/dbraw/zinc/24/83/30/553248330.db2.gz HXLIQMCRPKSYOP-NSBPXKJOSA-N 0 0 507.546 4.856 50 5 KJBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1NC1C2CC3CC(C2)CC1C3 ZINC000009363527 553248947 /nfs/dbraw/zinc/24/89/47/553248947.db2.gz CZYOUGDXJWOCAB-UHFFFAOYSA-N 0 0 531.078 4.996 50 5 KJBARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cc([N+](=O)[O-])cs4)cs3)cc2)C1 ZINC000009368113 553249434 /nfs/dbraw/zinc/24/94/34/553249434.db2.gz VGPUTVLAKBRFKN-KBPBESRZSA-N 0 0 506.631 4.699 50 5 KJBARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cc([N+](=O)[O-])cs4)cs3)cc2)C1 ZINC000009368118 553249445 /nfs/dbraw/zinc/24/94/45/553249445.db2.gz VGPUTVLAKBRFKN-ZIAGYGMSSA-N 0 0 506.631 4.699 50 5 KJBARN Cc1ccc2oc3cc(NCCN4CCC5(CC4)OCCO5)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 ZINC000009374530 553250950 /nfs/dbraw/zinc/25/09/50/553250950.db2.gz RORPWUQRCMYUEE-UHFFFAOYSA-N 0 0 511.578 4.500 50 5 KJBARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1csc2NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000009381426 553252688 /nfs/dbraw/zinc/25/26/88/553252688.db2.gz GHPSQJWDMXWIHU-UHFFFAOYSA-N 0 0 512.931 4.746 50 5 KJBARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1csc2NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009381427 553252638 /nfs/dbraw/zinc/25/26/38/553252638.db2.gz YCKLJRGSKUDJQX-UHFFFAOYSA-N 0 0 512.931 4.746 50 5 KJBARN O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000009391211 553253778 /nfs/dbraw/zinc/25/37/78/553253778.db2.gz NVUGFBSYFMKWMG-QFIPXVFZSA-N 0 0 500.964 4.811 50 5 biogenic KJBARN O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000009391212 553253793 /nfs/dbraw/zinc/25/37/93/553253793.db2.gz NVUGFBSYFMKWMG-JOCHJYFZSA-N 0 0 500.964 4.811 50 5 biogenic KJBARN O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009391226 553253775 /nfs/dbraw/zinc/25/37/75/553253775.db2.gz IWNXUMOGOGVITH-NRFANRHFSA-N 0 0 500.964 4.811 50 5 biogenic KJBARN O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009391227 553253795 /nfs/dbraw/zinc/25/37/95/553253795.db2.gz IWNXUMOGOGVITH-OAQYLSRUSA-N 0 0 500.964 4.811 50 5 biogenic KJBARN COc1ccccc1OC[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000009393830 553255014 /nfs/dbraw/zinc/25/50/14/553255014.db2.gz JVKOWCOZQLSGPC-OAQYLSRUSA-N 0 0 509.584 4.996 50 5 KJBARN COc1ccccc1OC[C@H]1c2cc(OC)c(OC)cc2CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000009393833 553255021 /nfs/dbraw/zinc/25/50/21/553255021.db2.gz JVKOWCOZQLSGPC-NRFANRHFSA-N 0 0 509.584 4.996 50 5 KJBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000009404244 553255727 /nfs/dbraw/zinc/25/57/27/553255727.db2.gz MSBVWOXFDOHPIO-UHFFFAOYSA-N 0 0 506.565 4.722 50 5 KJBARN O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000009404312 553255703 /nfs/dbraw/zinc/25/57/03/553255703.db2.gz PYMYZAMZNOBANI-UHFFFAOYSA-N 0 0 512.594 4.784 50 5 KJBARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(=O)[nH]c(SCc3ccccc3F)nc2N1 ZINC000009415565 553258096 /nfs/dbraw/zinc/25/80/96/553258096.db2.gz RMZGCRSQOVWILA-HXUWFJFHSA-N 0 0 510.547 4.893 50 5 KJBARN COCCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3Cl)nn2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009427235 553259667 /nfs/dbraw/zinc/25/96/67/553259667.db2.gz DDPJWABZPLDVCX-FQEVSTJZSA-N 0 0 515.979 4.611 50 5 KJBARN COCCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009427236 553259661 /nfs/dbraw/zinc/25/96/61/553259661.db2.gz DDPJWABZPLDVCX-HXUWFJFHSA-N 0 0 515.979 4.611 50 5 KJBARN O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1CCc1ccccc1 ZINC000009428556 553260589 /nfs/dbraw/zinc/26/05/89/553260589.db2.gz YXHDTCMLPWEITD-JXMROGBWSA-N 0 0 513.291 4.915 50 5 KJBARN COc1ccc(C(=O)[C@H]2[C@H](c3ccc(Br)cc3)[C@@H]([N+](=O)[O-])[C@H]3c4ccccc4C=NN23)cc1 ZINC000009428732 553260823 /nfs/dbraw/zinc/26/08/23/553260823.db2.gz QKOKFEDFPJKHSQ-MOUTVQLLSA-N 0 0 506.356 4.843 50 5 KJBARN COc1ccc(C(=O)[C@H]2[C@H](c3ccc(Br)cc3)[C@@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN23)cc1 ZINC000009428733 553260776 /nfs/dbraw/zinc/26/07/76/553260776.db2.gz QKOKFEDFPJKHSQ-UEQSERJNSA-N 0 0 506.356 4.843 50 5 KJBARN CN(C(=O)Oc1ccccc1)[C@H](c1nnnn1-c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000009434514 553263969 /nfs/dbraw/zinc/26/39/69/553263969.db2.gz LUNJZXAETWWXDR-FQEVSTJZSA-N 0 0 509.320 4.553 50 5 KJBARN O=C(Oc1ccccc1N(C(=O)c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009445109 553265022 /nfs/dbraw/zinc/26/50/22/553265022.db2.gz MSKKLDXYBBPRML-UHFFFAOYSA-N 0 0 502.504 4.850 50 5 KJBARN CC(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009460892 553266857 /nfs/dbraw/zinc/26/68/57/553266857.db2.gz ZMDOZOHHCXQZTJ-PAHOUZJPSA-N 0 0 513.937 4.810 50 5 KJBARN COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000009543568 553278133 /nfs/dbraw/zinc/27/81/33/553278133.db2.gz MYQXQMKRZKIDNV-UHFFFAOYSA-N 0 0 520.494 4.709 50 5 KJBARN O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(=O)c2ccco2)cc1 ZINC000009543580 553278135 /nfs/dbraw/zinc/27/81/35/553278135.db2.gz CCBHQSOEDIPFMB-UHFFFAOYSA-N 0 0 514.446 4.699 50 5 KJBARN O=C(COC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc(OC(=O)c2ccco2)cc1 ZINC000009543582 553278139 /nfs/dbraw/zinc/27/81/39/553278139.db2.gz JZASZKPBRRVNNZ-UHFFFAOYSA-N 0 0 514.446 4.699 50 5 KJBARN C[C@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000009601707 553286826 /nfs/dbraw/zinc/28/68/26/553286826.db2.gz VUGFJINTSXIIHV-SFHVURJKSA-N 0 0 501.008 4.932 50 5 KJBARN C[C@@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000009601708 553286820 /nfs/dbraw/zinc/28/68/20/553286820.db2.gz VUGFJINTSXIIHV-GOSISDBHSA-N 0 0 501.008 4.932 50 5 KJBARN O=C(c1cccc(Br)c1)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 ZINC000009601751 553286786 /nfs/dbraw/zinc/28/67/86/553286786.db2.gz UPLOWGHQQPNZCI-UHFFFAOYSA-N 0 0 509.404 4.974 50 5 KJBARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(-c5csc(C)n5)cc4)CC3)ccc2[N+](=O)[O-])n1 ZINC000009614321 553289814 /nfs/dbraw/zinc/28/98/14/553289814.db2.gz KALHNFJVFWZMKW-UHFFFAOYSA-N 0 0 502.600 4.792 50 5 KJBARN Cc1ccc(C)c(CN2c3ccc(Br)cc3[C@](O)(CC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000009614495 553290031 /nfs/dbraw/zinc/29/00/31/553290031.db2.gz MIOYKRZGHFTMAG-RUZDIDTESA-N 0 0 509.356 4.982 50 5 KJBARN Cc1ccc(C)c(CN2c3ccc(Br)cc3[C@@](O)(CC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000009614496 553290035 /nfs/dbraw/zinc/29/00/35/553290035.db2.gz MIOYKRZGHFTMAG-VWLOTQADSA-N 0 0 509.356 4.982 50 5 KJBARN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000009668865 553293721 /nfs/dbraw/zinc/29/37/21/553293721.db2.gz KMJRQEZAUDFGRM-UHFFFAOYSA-N 0 0 511.003 4.664 50 5 KJBARN O=C(c1ccccc1Br)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 ZINC000009720487 553300750 /nfs/dbraw/zinc/30/07/50/553300750.db2.gz FRCHHYAXMFJEJL-UHFFFAOYSA-N 0 0 521.415 4.882 50 5 KJBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1NCc1ccco1 ZINC000009721078 553301177 /nfs/dbraw/zinc/30/11/77/553301177.db2.gz AUKQWWVDQIIVOZ-UHFFFAOYSA-N 0 0 511.387 4.618 50 5 KJBARN COc1cccc(CNc2nc(NCc3cccc(OC)c3)n(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c1 ZINC000009847050 553312194 /nfs/dbraw/zinc/31/21/94/553312194.db2.gz YDQSZYHLFAXEEY-UHFFFAOYSA-N 0 0 522.949 4.770 50 5 KJBARN COc1ccccc1CNc1nc(NCc2ccccc2OC)n(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000009847066 553312228 /nfs/dbraw/zinc/31/22/28/553312228.db2.gz ZBGFXHBFOJLSTJ-UHFFFAOYSA-N 0 0 522.949 4.770 50 5 KJBARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000009850466 553312829 /nfs/dbraw/zinc/31/28/29/553312829.db2.gz BTXBBPHJQZBTDU-UHFFFAOYSA-N 0 0 507.927 4.538 50 5 KJBARN O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NCCc1ccc(Cl)cc1 ZINC000009860250 553313790 /nfs/dbraw/zinc/31/37/90/553313790.db2.gz GLTIZUVRURXACN-UHFFFAOYSA-N 0 0 510.001 4.927 50 5 KJBARN O=C(c1cccc(Br)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 ZINC000009891887 553314325 /nfs/dbraw/zinc/31/43/25/553314325.db2.gz KWRLJCJLXIKHMV-UHFFFAOYSA-N 0 0 521.415 4.882 50 5 KJBARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000009891890 553314433 /nfs/dbraw/zinc/31/44/33/553314433.db2.gz UKOHOAPLRSZHAI-UHFFFAOYSA-N 0 0 523.033 4.765 50 5 KJBARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000009891891 553314411 /nfs/dbraw/zinc/31/44/11/553314411.db2.gz LHHXGWJFDZSEFD-UHFFFAOYSA-N 0 0 523.033 4.909 50 5 KJBARN O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1 ZINC000009891904 553314374 /nfs/dbraw/zinc/31/43/74/553314374.db2.gz AFILEZBZLYBVJO-UHFFFAOYSA-N 0 0 521.533 4.516 50 5 KJBARN Cc1ccc(C(=O)N2CCN(c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])CC2)cc1 ZINC000009892484 553315134 /nfs/dbraw/zinc/31/51/34/553315134.db2.gz AJQGCWFIVSWEIQ-UHFFFAOYSA-N 0 0 502.615 4.564 50 5 KJBARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000009892486 553315158 /nfs/dbraw/zinc/31/51/58/553315158.db2.gz IADWVMMVMAACOA-UHFFFAOYSA-N 0 0 523.033 4.909 50 5 KJBARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000009892487 553315125 /nfs/dbraw/zinc/31/51/25/553315125.db2.gz JISZZPYUBAVGPO-UHFFFAOYSA-N 0 0 523.033 4.765 50 5 KJBARN Cc1nn(-c2cc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000009892488 553315137 /nfs/dbraw/zinc/31/51/37/553315137.db2.gz DHWLAHUWIUSXKD-UHFFFAOYSA-N 0 0 525.609 4.862 50 5 KJBARN C[C@H](Nc1nc(Nc2ccccc2F)nc(Nc2ccccc2F)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009933756 553317346 /nfs/dbraw/zinc/31/73/46/553317346.db2.gz VIGRRCQSMMAOEO-AWEZNQCLSA-N 0 0 506.473 4.984 50 5 KJBARN C[C@@H](Nc1nc(Nc2ccccc2F)nc(Nc2ccccc2F)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009933757 553317366 /nfs/dbraw/zinc/31/73/66/553317366.db2.gz VIGRRCQSMMAOEO-CQSZACIVSA-N 0 0 506.473 4.984 50 5 KJBARN COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 ZINC000009948481 553319913 /nfs/dbraw/zinc/31/99/13/553319913.db2.gz UJYZLJBAUXQVEZ-UHFFFAOYSA-N 0 0 522.949 4.770 50 5 KJBARN COc1cccc(CNc2nc(NCc3cccc(OC)c3)n(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000009948493 553320041 /nfs/dbraw/zinc/32/00/41/553320041.db2.gz XISOLPVCQJGFDP-OUKQBFOZSA-N 0 0 514.542 4.781 50 5 KJBARN CCOc1ccc(CNc2nc(NCc3ccc(OCC)cc3)n(C(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000009948645 553320039 /nfs/dbraw/zinc/32/00/39/553320039.db2.gz WRGCNMGJLPMLOT-UHFFFAOYSA-N 0 0 516.558 4.896 50 5 KJBARN CCOc1ccc(CNc2nc(NCc3ccc(OCC)cc3)n(C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000009948646 553320050 /nfs/dbraw/zinc/32/00/50/553320050.db2.gz WMHCNNLHSZVJQJ-UHFFFAOYSA-N 0 0 516.558 4.896 50 5 KJBARN CCOc1ccc(CNc2nc(NCc3ccc(OCC)cc3)n(C(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000009948661 553320252 /nfs/dbraw/zinc/32/02/52/553320252.db2.gz RTVWIUUSSQFHJH-UHFFFAOYSA-N 0 0 516.558 4.896 50 5 KJBARN Cc1c(C(=O)Nc2cc(C)cc(C)c2)sc2nc3n(c(=O)c12)N=C(c1cccc([N+](=O)[O-])c1)CS3 ZINC000009969255 553322246 /nfs/dbraw/zinc/32/22/46/553322246.db2.gz DPCKEVBQBMUULR-UHFFFAOYSA-N 0 0 505.581 4.902 50 5 KJBARN Cc1c(C(=O)Nc2cccc(C)c2C)sc2nc3n(c(=O)c12)N=C(c1ccc([N+](=O)[O-])cc1)CS3 ZINC000009969324 553322223 /nfs/dbraw/zinc/32/22/23/553322223.db2.gz WIZVJRHDOLHIMI-UHFFFAOYSA-N 0 0 505.581 4.902 50 5 KJBARN O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCN(c4ccccc4)CC3)c2)CC1 ZINC000009971662 553322736 /nfs/dbraw/zinc/32/27/36/553322736.db2.gz YQYUPVHIRNBEBP-UHFFFAOYSA-N 0 0 506.006 4.537 50 5 KJBARN CC(C)(C)CNc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000009971673 553322711 /nfs/dbraw/zinc/32/27/11/553322711.db2.gz LQFVWXROSWZSBM-UHFFFAOYSA-N 0 0 501.436 4.871 50 5 KJBARN CCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCc5ccccc5C4)c3)CC2)cc1 ZINC000009971755 553322682 /nfs/dbraw/zinc/32/26/82/553322682.db2.gz WILHDFOCWDKEDE-UHFFFAOYSA-N 0 0 500.599 4.909 50 5 KJBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1NCc1ccccc1 ZINC000009971783 553322669 /nfs/dbraw/zinc/32/26/69/553322669.db2.gz IMQLEJKGMANPAK-UHFFFAOYSA-N 0 0 506.628 4.597 50 5 KJBARN CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCc5ccccc5C4)c3)CC2)cc1 ZINC000009971812 553322666 /nfs/dbraw/zinc/32/26/66/553322666.db2.gz KPMVJZDFHANPIZ-UHFFFAOYSA-N 0 0 500.599 4.907 50 5 KJBARN Cc1nn(-c2cc(N3CCN(C(=O)c4ccc(C(C)C)cc4)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000009971851 553322651 /nfs/dbraw/zinc/32/26/51/553322651.db2.gz FUBMAMBDNWOOGI-UHFFFAOYSA-N 0 0 511.582 4.688 50 5 KJBARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCc5ccccc5C4)c3)CC2)c(C)c1 ZINC000009971945 553322909 /nfs/dbraw/zinc/32/29/09/553322909.db2.gz FCJRNEDMKYWHLP-UHFFFAOYSA-N 0 0 520.655 4.594 50 5 KJBARN CCOc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc(OCC)c1OCC ZINC000009973332 553323234 /nfs/dbraw/zinc/32/32/34/553323234.db2.gz SOJXDVJXHCXTIA-UHFFFAOYSA-N 0 0 526.634 4.744 50 5 KJBARN COc1ccc(-c2csc(NC(=S)NC(=O)C=Cc3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1OC ZINC000010035132 553326458 /nfs/dbraw/zinc/32/64/58/553326458.db2.gz AYBSNZDAUCTMTC-XBXARRHUSA-N 0 0 504.977 4.915 50 5 KJBARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000010059726 553327332 /nfs/dbraw/zinc/32/73/32/553327332.db2.gz MSEXTNPCBRFHKU-UHFFFAOYSA-N 0 0 502.574 4.511 50 5 KJBARN O=C(Oc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000011565558 553339096 /nfs/dbraw/zinc/33/90/96/553339096.db2.gz YTOOCKDBVMRKIM-UHFFFAOYSA-N 0 0 502.504 4.850 50 5 KJBARN COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000011565575 553339072 /nfs/dbraw/zinc/33/90/72/553339072.db2.gz CRSKWAIHHLBCEO-UHFFFAOYSA-N 0 0 508.508 4.780 50 5 KJBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)c1=NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000011690994 1067137810 /nfs/dbraw/zinc/13/78/10/1067137810.db2.gz BKLDYARZDCBKHL-UHFFFAOYSA-N 0 0 506.562 4.815 50 5 KJBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1Cl ZINC000011691181 1067138641 /nfs/dbraw/zinc/13/86/41/1067138641.db2.gz NMKNFDVIJSSSAJ-UHFFFAOYSA-N 0 0 504.974 4.726 50 5 KJBARN COC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000011726286 553340529 /nfs/dbraw/zinc/34/05/29/553340529.db2.gz JUPMABBCVKONQO-DEOSSOPVSA-N 0 0 520.538 4.526 50 5 KJBARN COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000011726287 553340608 /nfs/dbraw/zinc/34/06/08/553340608.db2.gz JUPMABBCVKONQO-XMMPIXPASA-N 0 0 520.538 4.526 50 5 KJBARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000011757917 553341173 /nfs/dbraw/zinc/34/11/73/553341173.db2.gz IPAXNQHKCRHDBF-UHFFFAOYSA-N 0 0 516.894 4.577 50 5 KJBARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000011757918 553341169 /nfs/dbraw/zinc/34/11/69/553341169.db2.gz VYIMLHQLFVNQNU-UHFFFAOYSA-N 0 0 516.894 4.577 50 5 KJBARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000011757919 553341186 /nfs/dbraw/zinc/34/11/86/553341186.db2.gz PLMDGVYDUOIAGK-UHFFFAOYSA-N 0 0 516.894 4.577 50 5 KJBARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000011757936 553341281 /nfs/dbraw/zinc/34/12/81/553341281.db2.gz MZLOOFSPLKYCOA-UHFFFAOYSA-N 0 0 512.931 4.746 50 5 KJBARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000011757937 553341330 /nfs/dbraw/zinc/34/13/30/553341330.db2.gz YSQIKWLNKODJLE-UHFFFAOYSA-N 0 0 512.931 4.746 50 5 KJBARN CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2NC(=O)c1ccccc1[N+](=O)[O-] ZINC000011757968 553341506 /nfs/dbraw/zinc/34/15/06/553341506.db2.gz RYLMBXYXBHRFGX-UHFFFAOYSA-N 0 0 532.456 4.803 50 5 KJBARN CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000011757969 553341530 /nfs/dbraw/zinc/34/15/30/553341530.db2.gz DHMZEMXNNVRHID-UHFFFAOYSA-N 0 0 532.456 4.803 50 5 KJBARN CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000011757970 553341500 /nfs/dbraw/zinc/34/15/00/553341500.db2.gz AOQLBRKAWHQJIB-UHFFFAOYSA-N 0 0 532.456 4.803 50 5 KJBARN CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000011757980 553341515 /nfs/dbraw/zinc/34/15/15/553341515.db2.gz OIECHJBIIMTXRI-UHFFFAOYSA-N 0 0 546.483 4.732 50 5 KJBARN Cc1c(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000011852250 553344470 /nfs/dbraw/zinc/34/44/70/553344470.db2.gz PUQADVSJEWJRPV-UHFFFAOYSA-N 0 0 607.490 4.858 50 5 KJBARN Cc1c(C(=O)NCc2nnc(SCC(=O)N3CCCc4ccccc43)n2-c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000011852251 553344472 /nfs/dbraw/zinc/34/44/72/553344472.db2.gz BSVLPJLLFKFMHA-UHFFFAOYSA-N 0 0 560.611 4.625 50 5 KJBARN COC(=O)c1c(C)oc2ccc(N(C(=O)/C=C/c3ccccc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000011852768 553345693 /nfs/dbraw/zinc/34/56/93/553345693.db2.gz IPENGFCHVGKHJW-SDNWHVSQSA-N 0 0 520.519 4.871 50 5 KJBARN CCCC(=O)Oc1ccc(N(C(=O)CCC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Br ZINC000012284763 553356353 /nfs/dbraw/zinc/35/63/53/553356353.db2.gz ODGDGXKOXKVGJW-UHFFFAOYSA-N 0 0 513.366 4.585 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC ZINC000012311403 553357344 /nfs/dbraw/zinc/35/73/44/553357344.db2.gz DQWCERYICQHGCU-UHFFFAOYSA-N 0 0 509.500 4.590 50 5 KJBARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC ZINC000012311410 553357360 /nfs/dbraw/zinc/35/73/60/553357360.db2.gz DXAWNOMZKTXIIY-UHFFFAOYSA-N 0 0 506.540 4.850 50 5 KJBARN CCOC(=O)c1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2OC)cc1 ZINC000012311718 553357509 /nfs/dbraw/zinc/35/75/09/553357509.db2.gz JXKSCZZSULRONC-UHFFFAOYSA-N 0 0 506.540 4.850 50 5 KJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C ZINC000012311741 553357678 /nfs/dbraw/zinc/35/76/78/553357678.db2.gz KLGGLYJKGFEDSR-IBGZPJMESA-N 0 0 503.861 4.894 50 5 KJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1C ZINC000012311916 553357910 /nfs/dbraw/zinc/35/79/10/553357910.db2.gz XHKXRSQAFKHQIX-UHFFFAOYSA-N 0 0 510.959 4.995 50 5 KJBARN COc1ccc(-n2c(O)c3c(-c4ccc(Cl)cc4Cl)nn(-c4ccc([N+](=O)[O-])cc4)c3c2O)cc1 ZINC000012340616 553358660 /nfs/dbraw/zinc/35/86/60/553358660.db2.gz IMPUXKZIEFXEFZ-RBBKRZOGSA-N 0 0 511.321 4.693 50 5 KJBARN Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)no1 ZINC000012372268 553360631 /nfs/dbraw/zinc/36/06/31/553360631.db2.gz OQFUOQMBPCHOOC-UHFFFAOYSA-N 0 0 505.878 4.764 50 5 KJBARN O=C(CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)Nc1ccc(F)cc1 ZINC000012374579 553360873 /nfs/dbraw/zinc/36/08/73/553360873.db2.gz SIGYWXZOXPNDHU-UHFFFAOYSA-N 0 0 508.512 4.875 50 5 KJBARN O=C(NCCOc1ccc(Cl)cc1)c1cc(C(=O)NCCOc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000012374634 553360881 /nfs/dbraw/zinc/36/08/81/553360881.db2.gz VXQPXXLVWNCFLM-UHFFFAOYSA-N 0 0 518.353 4.519 50 5 KJBARN COC(=O)[C@](C)(Cl)Cc1ccc(-c2ccc(C[C@](C)(Cl)C(=O)OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000012436563 553366223 /nfs/dbraw/zinc/36/62/23/553366223.db2.gz VONXVTILCSXAJC-SZPZYZBQSA-N 0 0 513.330 4.596 50 5 KJBARN CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccc(Br)cc2)N[C@@H](c2ccc(Br)cc2)[C@H]1[N+](=O)[O-] ZINC000012437017 553366454 /nfs/dbraw/zinc/36/64/54/553366454.db2.gz HUTRAJQDESQABB-XLAORIBOSA-N 0 0 513.186 4.914 50 5 KJBARN Cc1cc(-c2ccc(/C=c3\sc4nc(=O)c5c6c(sc5n4c3=O)CCCC6)o2)cc([N+](=O)[O-])c1C ZINC000012445764 553366631 /nfs/dbraw/zinc/36/66/31/553366631.db2.gz HSCQBLNJPJVZDI-JAIQZWGSSA-N 0 0 505.577 4.542 50 5 KJBARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)CC3)ccc2[N+](=O)[O-])n1 ZINC000012446065 553366592 /nfs/dbraw/zinc/36/65/92/553366592.db2.gz HXIKZIHAWLCHBM-QGZVFWFLSA-N 0 0 518.401 4.820 50 5 KJBARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)CC3)ccc2[N+](=O)[O-])n1 ZINC000012446067 553366587 /nfs/dbraw/zinc/36/65/87/553366587.db2.gz HXIKZIHAWLCHBM-KRWDZBQOSA-N 0 0 518.401 4.820 50 5 KJBARN COc1ccc(/C=C2\CN(S(=O)(=O)c3ccc(C)cc3)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c32)cc1OC ZINC000012461797 553367048 /nfs/dbraw/zinc/36/70/48/553367048.db2.gz UJZJJDYSZSEUNU-LICLKQGHSA-N 0 0 511.512 4.578 50 5 KJBARN CC(=O)Nc1ccc(/C=C2\CN(S(=O)(=O)c3ccc(C)cc3)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c32)cc1 ZINC000012461802 553367055 /nfs/dbraw/zinc/36/70/55/553367055.db2.gz GXASOMKQHWYMFF-WOJGMQOQSA-N 0 0 508.512 4.519 50 5 KJBARN COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000012462449 553367324 /nfs/dbraw/zinc/36/73/24/553367324.db2.gz LQOUVVKMDQANID-UHFFFAOYSA-N 0 0 503.964 4.708 50 5 KJBARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)ccc2C)cc1 ZINC000012497539 553381886 /nfs/dbraw/zinc/38/18/86/553381886.db2.gz JBMIDMPENCFDRN-UHFFFAOYSA-N 0 0 510.572 4.565 50 5 KJBARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000012517302 553382551 /nfs/dbraw/zinc/38/25/51/553382551.db2.gz BEXYIDFHMYEWTJ-UHFFFAOYSA-N 0 0 514.460 4.955 50 5 KJBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CN(c3ccc(Br)cc3)c3nc4ccccc4nc32)c1 ZINC000012524284 553383390 /nfs/dbraw/zinc/38/33/90/553383390.db2.gz WHKNRSHADVBKCL-UHFFFAOYSA-N 0 0 512.345 4.605 50 5 KJBARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012524988 553383910 /nfs/dbraw/zinc/38/39/10/553383910.db2.gz MYVSGBZWRYAOTI-UHFFFAOYSA-N 0 0 508.600 4.569 50 5 KJBARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000012532722 553386792 /nfs/dbraw/zinc/38/67/92/553386792.db2.gz KGOLMBPUVNDUFK-SQEWALACSA-N 0 0 521.551 4.608 50 5 KJBARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000012532724 553386771 /nfs/dbraw/zinc/38/67/71/553386771.db2.gz KGOLMBPUVNDUFK-JYNAJPCDSA-N 0 0 521.551 4.608 50 5 KJBARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000012532996 553387149 /nfs/dbraw/zinc/38/71/49/553387149.db2.gz HJUDOXXGUMYCJY-FQEVSTJZSA-N 0 0 509.540 4.517 50 5 KJBARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000012532998 553387183 /nfs/dbraw/zinc/38/71/83/553387183.db2.gz HJUDOXXGUMYCJY-HXUWFJFHSA-N 0 0 509.540 4.517 50 5 KJBARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)cc1 ZINC000012538058 553388022 /nfs/dbraw/zinc/38/80/22/553388022.db2.gz LNIQFDVKUPFSIP-PDDLMNHVSA-N 0 0 525.561 4.812 50 5 KJBARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)cc1 ZINC000012538060 553388002 /nfs/dbraw/zinc/38/80/02/553388002.db2.gz LNIQFDVKUPFSIP-VIZCGCQYSA-N 0 0 525.561 4.812 50 5 KJBARN CC1=Nc2nc(-c3cccnc3)nn2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C1C(=O)OCc1ccccc1 ZINC000012541308 553389195 /nfs/dbraw/zinc/38/91/95/553389195.db2.gz PRYXOJQAIDZHDE-QFIPXVFZSA-N 0 0 502.918 4.934 50 5 KJBARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)O[C@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])cc3)ccc12 ZINC000012541388 553389518 /nfs/dbraw/zinc/38/95/18/553389518.db2.gz GMEJCXJIHROIJM-QGZVFWFLSA-N 0 0 502.479 4.773 50 5 KJBARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)O[C@@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])cc3)ccc12 ZINC000012541390 553389508 /nfs/dbraw/zinc/38/95/08/553389508.db2.gz GMEJCXJIHROIJM-KRWDZBQOSA-N 0 0 502.479 4.773 50 5 KJBARN COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)c(C)cc1[N+](=O)[O-] ZINC000012542148 553390236 /nfs/dbraw/zinc/39/02/36/553390236.db2.gz CUYPIFKNXPVDAO-UHFFFAOYSA-N 0 0 510.959 4.995 50 5 KJBARN COc1cc(C(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)ccc1OCc1ccc(Cl)cc1 ZINC000012542239 553390191 /nfs/dbraw/zinc/39/01/91/553390191.db2.gz RBHJITHNAJXEEO-UHFFFAOYSA-N 0 0 514.918 4.948 50 5 KJBARN Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000012542384 553390499 /nfs/dbraw/zinc/39/04/99/553390499.db2.gz CAFZPTBKDNWOFH-CSKARUKUSA-N 0 0 503.342 4.958 50 5 KJBARN COc1ccc(-n2c(SCC(=O)Nc3cc(OC)c([N+](=O)[O-])cc3C)nnc2-c2ccccc2)cc1 ZINC000012542448 553390608 /nfs/dbraw/zinc/39/06/08/553390608.db2.gz LFMLHNBHAVYYHP-UHFFFAOYSA-N 0 0 505.556 4.899 50 5 KJBARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(OC)c([N+](=O)[O-])cc3C)n2-c2ccccc2)cc1 ZINC000012542653 553390860 /nfs/dbraw/zinc/39/08/60/553390860.db2.gz XSDRBRWUBVAHOV-UHFFFAOYSA-N 0 0 505.556 4.899 50 5 KJBARN COc1cc(C(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)ccc1OCc1ccccc1Cl ZINC000012542847 553391034 /nfs/dbraw/zinc/39/10/34/553391034.db2.gz PDEIOKFWHJETRY-UHFFFAOYSA-N 0 0 514.918 4.948 50 5 KJBARN Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000012546702 553391898 /nfs/dbraw/zinc/39/18/98/553391898.db2.gz MZGOHQODHNTKAA-UHFFFAOYSA-N 0 0 519.554 4.820 50 5 KJBARN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012546799 1067138611 /nfs/dbraw/zinc/13/86/11/1067138611.db2.gz BQXOLRKUVXSSJH-ZHACJKMWSA-N 0 0 500.386 4.817 50 5 KJBARN COc1ccc(N(CCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000012550820 553392924 /nfs/dbraw/zinc/39/29/24/553392924.db2.gz SRRZTVANUSGDMQ-UHFFFAOYSA-N 0 0 501.536 4.583 50 5 KJBARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000012559728 553394215 /nfs/dbraw/zinc/39/42/15/553394215.db2.gz KTZLDKIPDQEFGW-UHFFFAOYSA-N 0 0 500.964 4.902 50 5 KJBARN O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000012560835 553394307 /nfs/dbraw/zinc/39/43/07/553394307.db2.gz QFOYVYAWNAJTRD-UHFFFAOYSA-N 0 0 504.952 4.885 50 5 KJBARN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000012563146 553395519 /nfs/dbraw/zinc/39/55/19/553395519.db2.gz KMYOLMSGZRDIFI-UHFFFAOYSA-N 0 0 500.964 4.902 50 5 KJBARN COc1ccc(N(CC(=O)N(c2ccccc2)C(C)C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000012566464 553397154 /nfs/dbraw/zinc/39/71/54/553397154.db2.gz RQWPYCPLVQBEGL-UHFFFAOYSA-N 0 0 517.991 4.894 50 5 KJBARN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000012566897 553397373 /nfs/dbraw/zinc/39/73/73/553397373.db2.gz CHOZAVVMCSXVMV-UHFFFAOYSA-N 0 0 513.538 4.908 50 5 KJBARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)cc1[N+](=O)[O-] ZINC000012568706 553397878 /nfs/dbraw/zinc/39/78/78/553397878.db2.gz OZAFYUYWZKQAMO-UHFFFAOYSA-N 0 0 508.383 4.983 50 5 KJBARN COc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000012573417 553398484 /nfs/dbraw/zinc/39/84/84/553398484.db2.gz IJKCGKKXNDXKJX-UHFFFAOYSA-N 0 0 517.494 4.631 50 5 KJBARN COc1cc(-c2cc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc(OC)c1OC ZINC000012581584 553399264 /nfs/dbraw/zinc/39/92/64/553399264.db2.gz CKXWDDOMOKDVRI-UHFFFAOYSA-N 0 0 517.494 4.631 50 5 KJBARN C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000012581635 553399280 /nfs/dbraw/zinc/39/92/80/553399280.db2.gz MRACQMBDAWMKOY-CYBMUJFWSA-N 0 0 510.425 4.554 50 5 KJBARN C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000012581642 553399270 /nfs/dbraw/zinc/39/92/70/553399270.db2.gz MRACQMBDAWMKOY-ZDUSSCGKSA-N 0 0 510.425 4.554 50 5 KJBARN COc1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000012582372 553399259 /nfs/dbraw/zinc/39/92/59/553399259.db2.gz NOXWFBUXGRNWGU-UHFFFAOYSA-N 0 0 510.355 4.744 50 5 KJBARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1 ZINC000012587480 553399876 /nfs/dbraw/zinc/39/98/76/553399876.db2.gz MMRLHLFAPBFFOX-XMMPIXPASA-N 0 0 500.580 4.856 50 5 KJBARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1 ZINC000012587487 553399890 /nfs/dbraw/zinc/39/98/90/553399890.db2.gz MMRLHLFAPBFFOX-DEOSSOPVSA-N 0 0 500.580 4.856 50 5 KJBARN CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000012588505 553400048 /nfs/dbraw/zinc/40/00/48/553400048.db2.gz KAKWFFOZZRGCJV-UHFFFAOYSA-N 0 0 512.494 4.702 50 5 KJBARN Cc1sc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)nc1-c1ccc(Br)cc1 ZINC000012589814 553400263 /nfs/dbraw/zinc/40/02/63/553400263.db2.gz KNSHGQWZWSVSEK-UHFFFAOYSA-N 0 0 516.421 4.793 50 5 KJBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000012600625 553401446 /nfs/dbraw/zinc/40/14/46/553401446.db2.gz LWHMSWDJHYPEHY-UHFFFAOYSA-N 0 0 508.508 4.932 50 5 KJBARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000012600694 553401646 /nfs/dbraw/zinc/40/16/46/553401646.db2.gz RSCLZVYKCDATFL-UHFFFAOYSA-N 0 0 502.886 4.956 50 5 KJBARN CCn1nc([N+](=O)[O-])c2c(-c3nc4ccccc4n3Cc3ccccc3)c(N)n(Cc3ccccc3)c2c1=O ZINC000012600718 553401642 /nfs/dbraw/zinc/40/16/42/553401642.db2.gz BEEAEGOQXFRGOJ-UHFFFAOYSA-N 0 0 519.565 4.822 50 5 KJBARN CCOc1ncccc1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000012600921 553401633 /nfs/dbraw/zinc/40/16/33/553401633.db2.gz OLJJFRNHJOSEQJ-LJQANCHMSA-N 0 0 500.305 4.688 50 5 KJBARN CCOc1ncccc1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000012600923 553401644 /nfs/dbraw/zinc/40/16/44/553401644.db2.gz OLJJFRNHJOSEQJ-IBGZPJMESA-N 0 0 500.305 4.688 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](OC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000012601130 553401902 /nfs/dbraw/zinc/40/19/02/553401902.db2.gz OOSJDAJQLQIVPX-NRFANRHFSA-N 0 0 513.300 4.665 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](OC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000012601133 553401859 /nfs/dbraw/zinc/40/18/59/553401859.db2.gz OOSJDAJQLQIVPX-OAQYLSRUSA-N 0 0 513.300 4.665 50 5 KJBARN CCN(C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000012601164 553401908 /nfs/dbraw/zinc/40/19/08/553401908.db2.gz ZVJJHCVTNNSCIL-UHFFFAOYSA-N 0 0 503.964 4.505 50 5 KJBARN CC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 ZINC000012618897 553403105 /nfs/dbraw/zinc/40/31/05/553403105.db2.gz SCHBBQYLQOVEHK-OAQYLSRUSA-N 0 0 512.316 4.853 50 5 KJBARN CC(=O)Nc1ccc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 ZINC000012618902 553403362 /nfs/dbraw/zinc/40/33/62/553403362.db2.gz SCHBBQYLQOVEHK-NRFANRHFSA-N 0 0 512.316 4.853 50 5 KJBARN O=C(COC(=O)c1ccccc1NC(=O)Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000012621108 553403696 /nfs/dbraw/zinc/40/36/96/553403696.db2.gz URTFEWADJFDRKY-UHFFFAOYSA-N 0 0 501.417 4.590 50 5 KJBARN COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)c(C)cc1[N+](=O)[O-] ZINC000012621621 553403718 /nfs/dbraw/zinc/40/37/18/553403718.db2.gz NOGCRRLAVZYQMH-UHFFFAOYSA-N 0 0 512.494 4.620 50 5 KJBARN Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000012622484 1067138514 /nfs/dbraw/zinc/13/85/14/1067138514.db2.gz RCMKUVCJPMOETH-SRZZPIQSSA-N 0 0 516.535 4.748 50 5 KJBARN O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ncc(Cl)cc1Cl ZINC000012624475 553404677 /nfs/dbraw/zinc/40/46/77/553404677.db2.gz LJONKSLGBMPUJH-UHFFFAOYSA-N 0 0 508.701 4.977 50 5 KJBARN Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000012632908 553405909 /nfs/dbraw/zinc/40/59/09/553405909.db2.gz VXRYCCVZPOEGKY-UHFFFAOYSA-N 0 0 507.601 4.708 50 5 KJBARN Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1C ZINC000012659459 553411359 /nfs/dbraw/zinc/41/13/59/553411359.db2.gz YKSCKSRYFZPHIY-UHFFFAOYSA-N 0 0 517.567 4.978 50 5 KJBARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000012660698 553411912 /nfs/dbraw/zinc/41/19/12/553411912.db2.gz XWHXDIMBRKKBNL-UHFFFAOYSA-N 0 0 511.453 4.895 50 5 KJBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)Nc1nnc(-c2ccccc2)o1 ZINC000012682448 553412803 /nfs/dbraw/zinc/41/28/03/553412803.db2.gz LENSOZYYVWOFQR-UHFFFAOYSA-N 0 0 507.890 4.706 50 5 KJBARN COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(C)c2C)c(C)cc1[N+](=O)[O-] ZINC000012794128 553420775 /nfs/dbraw/zinc/42/07/75/553420775.db2.gz KMXZWVZNVMJEIX-UHFFFAOYSA-N 0 0 504.568 4.959 50 5 KJBARN CC(=O)Nc1ccc(Oc2cc(NC(=O)CCCn3nc([N+](=O)[O-])c(Cl)c3C)cc([N+](=O)[O-])c2)cc1 ZINC000012845926 553421705 /nfs/dbraw/zinc/42/17/05/553421705.db2.gz INGHBDCHDBBINT-UHFFFAOYSA-N 0 0 516.898 4.831 50 5 KJBARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000012855097 553422309 /nfs/dbraw/zinc/42/23/09/553422309.db2.gz GSXPBVHALDPEIP-UHFFFAOYSA-N 0 0 514.026 4.940 50 5 KJBARN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccc(OCc2ccccc2)c1 ZINC000012857558 553422487 /nfs/dbraw/zinc/42/24/87/553422487.db2.gz IISKLQQCJLWAQI-UHFFFAOYSA-N 0 0 511.003 4.664 50 5 KJBARN COc1c(C)cc(Br)cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000012858916 553422641 /nfs/dbraw/zinc/42/26/41/553422641.db2.gz YPIPJEJRZZQVBV-UHFFFAOYSA-N 0 0 502.287 4.656 50 5 KJBARN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-] ZINC000012860426 553422763 /nfs/dbraw/zinc/42/27/63/553422763.db2.gz DLRSUOAULAQHDZ-UHFFFAOYSA-N 0 0 508.962 4.862 50 5 KJBARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000012860713 553422901 /nfs/dbraw/zinc/42/29/01/553422901.db2.gz IGRVVKLGGIBRFL-UHFFFAOYSA-N 0 0 519.608 4.835 50 5 KJBARN CC[C@@H](C)Oc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000012861079 553422938 /nfs/dbraw/zinc/42/29/38/553422938.db2.gz PIHVMHXGVJZCDW-OAHLLOKOSA-N 0 0 510.538 4.628 50 5 KJBARN CC[C@H](C)Oc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000012861088 553422910 /nfs/dbraw/zinc/42/29/10/553422910.db2.gz PIHVMHXGVJZCDW-HNNXBMFYSA-N 0 0 510.538 4.628 50 5 KJBARN O=c1c(Cl)c(N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cnn1-c1cccc(Cl)c1 ZINC000012956938 553429784 /nfs/dbraw/zinc/42/97/84/553429784.db2.gz LZSNCMZLOWSMEM-UHFFFAOYSA-N 0 0 559.288 4.701 50 5 KJBARN O=C(c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000012957924 553430187 /nfs/dbraw/zinc/43/01/87/553430187.db2.gz CLAXZSBFVKMVGP-UHFFFAOYSA-N 0 0 534.421 4.838 50 5 KJBARN Cc1nn(CC(=O)OCc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)c(C)c1[N+](=O)[O-] ZINC000012993272 553431679 /nfs/dbraw/zinc/43/16/79/553431679.db2.gz YMVKXMPZDUXAMX-JOCHJYFZSA-N 0 0 502.321 4.522 50 5 KJBARN Cc1nn(CC(=O)OCc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)c(C)c1[N+](=O)[O-] ZINC000012993273 553431586 /nfs/dbraw/zinc/43/15/86/553431586.db2.gz YMVKXMPZDUXAMX-QFIPXVFZSA-N 0 0 502.321 4.522 50 5 KJBARN CON(C)S(=O)(=O)c1ccc(Br)c(C(=O)OCc2nc3ccccc3c3ccccc23)c1 ZINC000013016585 553432859 /nfs/dbraw/zinc/43/28/59/553432859.db2.gz SQRFDJIKAVKJCF-UHFFFAOYSA-N 0 0 515.385 4.689 50 5 KJBARN CCOc1cc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])o2)cc(OCC)c1OCC ZINC000013095446 553445779 /nfs/dbraw/zinc/44/57/79/553445779.db2.gz FOXDJKABJFXLLY-AWEZNQCLSA-N 0 0 502.549 4.960 50 5 KJBARN CCOc1cc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])o2)cc(OCC)c1OCC ZINC000013095447 553445773 /nfs/dbraw/zinc/44/57/73/553445773.db2.gz FOXDJKABJFXLLY-CQSZACIVSA-N 0 0 502.549 4.960 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](OC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1ccccc1 ZINC000013096596 553446458 /nfs/dbraw/zinc/44/64/58/553446458.db2.gz JHNCSFYDKZUQMH-GDLIHOIBSA-N 0 0 515.360 4.976 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](OC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1ccccc1 ZINC000013096597 553446480 /nfs/dbraw/zinc/44/64/80/553446480.db2.gz JHNCSFYDKZUQMH-RLWDANHASA-N 0 0 515.360 4.976 50 5 KJBARN CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccc3[N+](=O)[O-])CC2)sc(C)c1-c1ccccc1 ZINC000013112905 553448439 /nfs/dbraw/zinc/44/84/39/553448439.db2.gz VDOVQPZMBYSSPJ-UHFFFAOYSA-N 0 0 508.600 4.569 50 5 KJBARN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000013112906 553448427 /nfs/dbraw/zinc/44/84/27/553448427.db2.gz ABETZBVSCMUKMA-UHFFFAOYSA-N 0 0 522.627 4.878 50 5 KJBARN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000013112907 553448433 /nfs/dbraw/zinc/44/84/33/553448433.db2.gz DLMUIGABOBGNQY-UHFFFAOYSA-N 0 0 508.600 4.569 50 5 KJBARN CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccc3[N+](=O)[O-])CC2)sc(C)c1-c1ccc(C)cc1 ZINC000013113131 553448577 /nfs/dbraw/zinc/44/85/77/553448577.db2.gz MJYNKHZOIWUMIT-UHFFFAOYSA-N 0 0 522.627 4.878 50 5 KJBARN O=C(Nc1ccccc1Cc1ccccc1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000013145410 553454742 /nfs/dbraw/zinc/45/47/42/553454742.db2.gz YHZYXJLHKPRVRU-UHFFFAOYSA-N 0 0 514.003 4.878 50 5 KJBARN Cn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)CCCC3 ZINC000013145782 553454928 /nfs/dbraw/zinc/45/49/28/553454928.db2.gz KCDJUOAAATWKAX-UHFFFAOYSA-N 0 0 513.626 4.636 50 5 KJBARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2N2CCCCC2)cc1 ZINC000013146341 553455263 /nfs/dbraw/zinc/45/52/63/553455263.db2.gz CYGDVEZMXJPANY-UHFFFAOYSA-N 0 0 510.572 4.647 50 5 KJBARN COc1ccc(C(=O)OCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000013148332 553455810 /nfs/dbraw/zinc/45/58/10/553455810.db2.gz OFDSWZGCIWFWHE-WUYLGPMWSA-N 0 0 505.483 4.769 50 5 KJBARN COc1ccc(C(=O)OCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000013148334 553455789 /nfs/dbraw/zinc/45/57/89/553455789.db2.gz OFDSWZGCIWFWHE-UDRVRFKKSA-N 0 0 505.483 4.769 50 5 KJBARN CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)cc1 ZINC000013148737 553456103 /nfs/dbraw/zinc/45/61/03/553456103.db2.gz OFAGRQMAYSIHHY-UHFFFAOYSA-N 0 0 512.540 4.921 50 5 KJBARN Cc1csc(Sc2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)cc2[N+](=O)[O-])n1 ZINC000013149079 553456368 /nfs/dbraw/zinc/45/63/68/553456368.db2.gz RUZJOATVEXOHRW-UHFFFAOYSA-N 0 0 509.468 4.628 50 5 KJBARN Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000013149793 553456383 /nfs/dbraw/zinc/45/63/83/553456383.db2.gz QJNJVJGYDHSFMK-UHFFFAOYSA-N 0 0 502.272 4.908 50 5 KJBARN O=C(Nc1cc(C(=O)Nc2cccc(O)c2)cc(C(=O)Nc2cccc(O)c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000013304982 553458206 /nfs/dbraw/zinc/45/82/06/553458206.db2.gz FYVRLIYUFDSNJO-UHFFFAOYSA-N 0 0 512.478 4.763 50 5 KJBARN Cc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1N1C(=O)c2c(c3ccccc3nc2C)C1=O ZINC000013361970 553458591 /nfs/dbraw/zinc/45/85/91/553458591.db2.gz QRJSSDSJYVIPMP-UHFFFAOYSA-N 0 0 509.474 4.600 50 5 KJBARN CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2cccc(Br)c2)N[C@@H](c2cccc(Br)c2)[C@H]1[N+](=O)[O-] ZINC000013403507 553459107 /nfs/dbraw/zinc/45/91/07/553459107.db2.gz SYQOCZQEGKASDM-XLAORIBOSA-N 0 0 513.186 4.914 50 5 KJBARN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000013546516 553469868 /nfs/dbraw/zinc/46/98/68/553469868.db2.gz GRZYDFQZIYVJIW-ODLFYWEKSA-N 0 0 520.947 4.825 50 5 KJBARN Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2cc(O)c3c(c2)oc2c(C)cccc2c3=O)cc1 ZINC000013576436 553475110 /nfs/dbraw/zinc/47/51/10/553475110.db2.gz HZTWTGAHSGEISW-UHFFFAOYSA-N 0 0 509.580 4.713 50 5 KJBARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Oc2cc(O)c3c(c2)oc2c(C)cccc2c3=O)cc1 ZINC000013577207 553475404 /nfs/dbraw/zinc/47/54/04/553475404.db2.gz OGWKGIXAXVLXJZ-OAQYLSRUSA-N 0 0 509.580 4.567 50 5 KJBARN CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(O)c2c(c1)oc1c(C)cccc1c2=O ZINC000013591210 553476963 /nfs/dbraw/zinc/47/69/63/553476963.db2.gz XVHYYQYPDUPUHJ-NRFANRHFSA-N 0 0 509.580 4.711 50 5 KJBARN Cc1cc(C)c2c(n1)sc1c2ncn2nc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc12 ZINC000013643775 553479470 /nfs/dbraw/zinc/47/94/70/553479470.db2.gz ILCQJAIACVVBJI-UHFFFAOYSA-N 0 0 513.048 4.726 50 5 KJBARN Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@@H]5CCCN(S(=O)(=O)c6ccccc6)C5)nc34)c21 ZINC000013644046 553479424 /nfs/dbraw/zinc/47/94/24/553479424.db2.gz VVFWILWMFPFCEG-CQSZACIVSA-N 0 0 514.583 4.702 50 5 KJBARN Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@H]5CCCN(S(=O)(=O)c6ccccc6)C5)nc34)c21 ZINC000013644050 553479431 /nfs/dbraw/zinc/47/94/31/553479431.db2.gz VVFWILWMFPFCEG-AWEZNQCLSA-N 0 0 514.583 4.702 50 5 KJBARN Cc1cc(C(F)F)nc2sc3c(ncn4nc(C5CCN(S(=O)(=O)c6ccccc6)CC5)nc34)c21 ZINC000013644205 553479745 /nfs/dbraw/zinc/47/97/45/553479745.db2.gz QNKVKBJPEQIVRD-UHFFFAOYSA-N 0 0 514.583 4.702 50 5 KJBARN Cc1c(-c2cc(C(F)(F)F)nc3sc4c(ncn5nc(-c6ccn(C(F)F)n6)nc45)c32)cnn1C ZINC000013644891 553479707 /nfs/dbraw/zinc/47/97/07/553479707.db2.gz PYVLUYIAADQKMG-UHFFFAOYSA-N 0 0 505.436 4.874 50 5 KJBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013757507 553488267 /nfs/dbraw/zinc/48/82/67/553488267.db2.gz KARGIIANLDRNMK-DNVJHFABSA-N 0 0 500.898 4.848 50 5 KJBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013757508 553488301 /nfs/dbraw/zinc/48/83/01/553488301.db2.gz KARGIIANLDRNMK-XPWALMASSA-N 0 0 500.898 4.848 50 5 KJBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000013758466 553488587 /nfs/dbraw/zinc/48/85/87/553488587.db2.gz BMLVRFOSRIQLGW-KIHHCIJBSA-N 0 0 520.973 4.530 50 5 KJBARN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000013768540 553489226 /nfs/dbraw/zinc/48/92/26/553489226.db2.gz RXTZBZXMDAUWOR-NXCFDTQHSA-N 0 0 517.538 4.833 50 5 KJBARN O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N1CCN(C(=S)NCc2ccc(Cl)cc2)CC1 ZINC000013784377 553490442 /nfs/dbraw/zinc/49/04/42/553490442.db2.gz CRHIUCYDEJEPGH-UHFFFAOYSA-N 0 0 509.440 4.949 50 5 KJBARN O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000013787181 553490779 /nfs/dbraw/zinc/49/07/79/553490779.db2.gz HXYCEHUCXGWJSZ-QHAWAJNXSA-N 0 0 500.294 4.658 50 5 KJBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013787911 553491043 /nfs/dbraw/zinc/49/10/43/553491043.db2.gz YCWQKBYHWRTJHQ-NJDAHSKKSA-N 0 0 512.291 4.548 50 5 KJBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)c(Br)c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013787912 553491037 /nfs/dbraw/zinc/49/10/37/553491037.db2.gz YCWQKBYHWRTJHQ-QHAWAJNXSA-N 0 0 512.291 4.548 50 5 KJBARN CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCc4ccc(Br)cc4)n23)CO1 ZINC000013810911 553492511 /nfs/dbraw/zinc/49/25/11/553492511.db2.gz NLRIUTQRKUOPDY-UHFFFAOYSA-N 0 0 501.435 4.893 50 5 KJBARN CCCC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013858007 553493505 /nfs/dbraw/zinc/49/35/05/553493505.db2.gz UTEAFPXTMLQYLI-YOJFPRAJSA-N 0 0 509.562 4.984 50 5 KJBARN CC(C)C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013858011 553493475 /nfs/dbraw/zinc/49/34/75/553493475.db2.gz MYUYEDAYPVDWQD-YOJFPRAJSA-N 0 0 509.562 4.840 50 5 KJBARN COc1ccc(NC(=S)N[C@@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000013879235 553493557 /nfs/dbraw/zinc/49/35/57/553493557.db2.gz ZZNOGSGZWQWJEL-OAHLLOKOSA-N 0 0 512.202 4.670 50 5 aggregator KJBARN CN(C(=O)Oc1ccccc1)[C@@H](c1nnnn1-c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000013943385 553497070 /nfs/dbraw/zinc/49/70/70/553497070.db2.gz LUNJZXAETWWXDR-HXUWFJFHSA-N 0 0 509.320 4.553 50 5 KJBARN O=C(Nc1cc(C(=O)Nc2ccc(O)cc2)cc(C(=O)Nc2ccc(O)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000013955190 553497322 /nfs/dbraw/zinc/49/73/22/553497322.db2.gz HMDCXCJZRNHKNB-UHFFFAOYSA-N 0 0 512.478 4.763 50 5 KJBARN Cc1nn(Cc2ccc([C@H]3Nc4c(sc5nc(C(F)(F)F)cc(C)c54)C(=O)N3)o2)c(C)c1[N+](=O)[O-] ZINC000013958121 553497551 /nfs/dbraw/zinc/49/75/51/553497551.db2.gz OAFAIUNEYQLSFJ-SFHVURJKSA-N 0 0 506.466 4.840 50 5 KJBARN Cc1nn(Cc2ccc([C@@H]3Nc4c(sc5nc(C(F)(F)F)cc(C)c54)C(=O)N3)o2)c(C)c1[N+](=O)[O-] ZINC000013958123 553497589 /nfs/dbraw/zinc/49/75/89/553497589.db2.gz OAFAIUNEYQLSFJ-GOSISDBHSA-N 0 0 506.466 4.840 50 5 KJBARN Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)c1noc(C)c1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000013961349 553498649 /nfs/dbraw/zinc/49/86/49/553498649.db2.gz DIPALJRYZRIHTO-UHFFFAOYSA-N 0 0 515.933 4.659 50 5 KJBARN COc1ccc(N(CC(=O)Nc2cccc3ccccc32)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000014165732 553505759 /nfs/dbraw/zinc/50/57/59/553505759.db2.gz CFNDUZVIYNWLMQ-UHFFFAOYSA-N 0 0 521.551 4.599 50 5 KJBARN CCc1cccc(CC)c1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000014186219 553506086 /nfs/dbraw/zinc/50/60/86/553506086.db2.gz NCIQKAIOGZCBRL-UHFFFAOYSA-N 0 0 511.600 4.871 50 5 KJBARN CCOC(=O)Nc1ccc2c(COC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000014357050 553512177 /nfs/dbraw/zinc/51/21/77/553512177.db2.gz XULGCFIQSCDKLT-UHFFFAOYSA-N 0 0 509.515 4.863 50 5 KJBARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2-c2ccccc2C)cc1 ZINC000014944658 553521943 /nfs/dbraw/zinc/52/19/43/553521943.db2.gz GJRGTNFUJYGBRK-UHFFFAOYSA-N 0 0 505.556 4.899 50 5 KJBARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3C)co2)s1 ZINC000015391473 553532547 /nfs/dbraw/zinc/53/25/47/553532547.db2.gz URCUQAGBPQCPSZ-UHFFFAOYSA-N 0 0 518.573 4.594 50 5 KJBARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)co2)s1 ZINC000015391475 553532552 /nfs/dbraw/zinc/53/25/52/553532552.db2.gz GAKDIKUBJWOEBC-UHFFFAOYSA-N 0 0 518.573 4.594 50 5 KJBARN O=C(Nc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000015685900 553534411 /nfs/dbraw/zinc/53/44/11/553534411.db2.gz ZGUJDERWJVSXAU-UHFFFAOYSA-N 0 0 516.535 4.900 50 5 KJBARN CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000015721607 553534700 /nfs/dbraw/zinc/53/47/00/553534700.db2.gz SPLJZTUHLDXXAK-NRFANRHFSA-N 0 0 500.552 4.523 50 5 KJBARN CC1CCN(c2cc(N3CCN(C(=O)c4ccccc4Br)CC3)c([N+](=O)[O-])cc2F)CC1 ZINC000015724007 553535306 /nfs/dbraw/zinc/53/53/06/553535306.db2.gz IWCWGUZXLTWHQM-UHFFFAOYSA-N 0 0 505.388 4.695 50 5 KJBARN CC1CCN(c2cc(N3CCN(C(=O)c4ccc(Br)cc4)CC3)c([N+](=O)[O-])cc2F)CC1 ZINC000015724178 553535444 /nfs/dbraw/zinc/53/54/44/553535444.db2.gz FFNSOHXAARSCDL-UHFFFAOYSA-N 0 0 505.388 4.695 50 5 KJBARN Cc1nn(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000015906667 553540508 /nfs/dbraw/zinc/54/05/08/553540508.db2.gz CQDGVJPPNFWABL-FQEVSTJZSA-N 0 0 521.020 4.706 50 5 KJBARN Cc1nn(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000015906668 553540512 /nfs/dbraw/zinc/54/05/12/553540512.db2.gz CQDGVJPPNFWABL-HXUWFJFHSA-N 0 0 521.020 4.706 50 5 KJBARN CN(C(=O)C12C[C@H]3C[C@@H](C1)CC(n1nc([N+](=O)[O-])nc1Br)(C3)C2)C12CC3CC(CC(C3)C1)C2 ZINC000015931489 553542443 /nfs/dbraw/zinc/54/24/43/553542443.db2.gz URPGJSVLNBLNOR-MSLFNVQWSA-N 0 0 518.456 4.672 50 5 KJBARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCN3CCOCC3)c2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000015946945 553544818 /nfs/dbraw/zinc/54/48/18/553544818.db2.gz NLKILLAZINGLRW-QGZVFWFLSA-N 0 0 514.648 4.720 50 5 KJBARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCN3CCOCC3)c2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000015946947 553544849 /nfs/dbraw/zinc/54/48/49/553544849.db2.gz NLKILLAZINGLRW-KRWDZBQOSA-N 0 0 514.648 4.720 50 5 KJBARN Cc1cc(NC(=O)CSc2nc3nn(-c4ccccc4)c(=O)c-3c3n2CCCCC3)c([N+](=O)[O-])cc1C ZINC000015978543 553548022 /nfs/dbraw/zinc/54/80/22/553548022.db2.gz FKFCZXHQAKGWBM-UHFFFAOYSA-N 0 0 518.599 4.516 50 5 KJBARN O=C(CSC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000015980087 553548362 /nfs/dbraw/zinc/54/83/62/553548362.db2.gz HYXJHQFKXHGSAM-PDGQHHTCSA-N 0 0 514.466 4.905 50 5 KJBARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000015981880 553549029 /nfs/dbraw/zinc/54/90/29/553549029.db2.gz PAJMYKYOOIWUFE-UHFFFAOYSA-N 0 0 519.583 4.844 50 5 KJBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015989072 553549238 /nfs/dbraw/zinc/54/92/38/553549238.db2.gz BMLVRFOSRIQLGW-KEZOAJOQSA-N 0 0 520.973 4.530 50 5 KJBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015998919 553549474 /nfs/dbraw/zinc/54/94/74/553549474.db2.gz ODMPTMZAVMUCBV-KEZOAJOQSA-N 0 0 520.973 4.530 50 5 KJBARN CC(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000015999203 553549587 /nfs/dbraw/zinc/54/95/87/553549587.db2.gz ZMDOZOHHCXQZTJ-XVOBZGQLSA-N 0 0 513.937 4.810 50 5 KJBARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1NC[C@@H]1COc2ccccc2O1 ZINC000016035753 553552331 /nfs/dbraw/zinc/55/23/31/553552331.db2.gz PNWJPKDOOYIDDG-MRXNPFEDSA-N 0 0 509.462 4.666 50 5 KJBARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1NC[C@H]1COc2ccccc2O1 ZINC000016035754 553552320 /nfs/dbraw/zinc/55/23/20/553552320.db2.gz PNWJPKDOOYIDDG-INIZCTEOSA-N 0 0 509.462 4.666 50 5 KJBARN COc1ccc(OC)c(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000016035768 553552328 /nfs/dbraw/zinc/55/23/28/553552328.db2.gz DIYSTJLGBHSBAS-UHFFFAOYSA-N 0 0 520.567 4.659 50 5 KJBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000016037096 553552340 /nfs/dbraw/zinc/55/23/40/553552340.db2.gz GMBBJCGUZTZBPE-LIONHTAISA-N 0 0 513.937 4.955 50 5 KJBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000016038115 553552521 /nfs/dbraw/zinc/55/25/21/553552521.db2.gz KJJSEYOOWMMQIN-LIONHTAISA-N 0 0 513.937 4.955 50 5 KJBARN COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@@H]([N+](=O)[O-])[C@H]3c4ccccc4C=NN32)cc1 ZINC000016038739 553552714 /nfs/dbraw/zinc/55/27/14/553552714.db2.gz QKOKFEDFPJKHSQ-YCAMKHIRSA-N 0 0 506.356 4.843 50 5 KJBARN O=C1CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000016042537 553552931 /nfs/dbraw/zinc/55/29/31/553552931.db2.gz KIUNWIKMKZTTRS-BVAGGSTKSA-N 0 0 500.942 4.615 50 5 KJBARN O=C1CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000016042538 553552882 /nfs/dbraw/zinc/55/28/82/553552882.db2.gz KIUNWIKMKZTTRS-ZEQKJWHPSA-N 0 0 500.942 4.615 50 5 KJBARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000016043650 553553301 /nfs/dbraw/zinc/55/33/01/553553301.db2.gz HVUZZRXPXRUKMO-UHFFFAOYSA-N 0 0 514.361 4.988 50 5 KJBARN CCc1cccc2c(C(=O)COC(=O)[C@@H](CCSC)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c[nH]c21 ZINC000016043664 553553333 /nfs/dbraw/zinc/55/33/33/553553333.db2.gz ZTWHPNWUKVWHTC-HXUWFJFHSA-N 0 0 517.991 4.570 50 5 KJBARN CCc1cccc2c(C(=O)COC(=O)[C@H](CCSC)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c[nH]c21 ZINC000016043665 553553239 /nfs/dbraw/zinc/55/32/39/553553239.db2.gz ZTWHPNWUKVWHTC-FQEVSTJZSA-N 0 0 517.991 4.570 50 5 KJBARN COc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)c(C)cc1[N+](=O)[O-] ZINC000016043671 553553246 /nfs/dbraw/zinc/55/32/46/553553246.db2.gz PTLKVIKPTBGEHU-KRWDZBQOSA-N 0 0 517.995 4.734 50 5 KJBARN COc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)c(C)cc1[N+](=O)[O-] ZINC000016043672 553553283 /nfs/dbraw/zinc/55/32/83/553553283.db2.gz PTLKVIKPTBGEHU-QGZVFWFLSA-N 0 0 517.995 4.734 50 5 KJBARN CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000016044789 553554304 /nfs/dbraw/zinc/55/43/04/553554304.db2.gz FHKSAXASHQBTNH-HXUWFJFHSA-N 0 0 512.588 4.537 50 5 KJBARN CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000016044790 553554276 /nfs/dbraw/zinc/55/42/76/553554276.db2.gz FHKSAXASHQBTNH-FQEVSTJZSA-N 0 0 512.588 4.537 50 5 KJBARN C[C@H](C(=O)N1CCc2ccccc21)N(c1ccccc1F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000016045147 553554393 /nfs/dbraw/zinc/55/43/93/553554393.db2.gz LSISFDSRAPLBMT-OAHLLOKOSA-N 0 0 503.939 4.560 50 5 KJBARN C[C@@H](C(=O)N1CCc2ccccc21)N(c1ccccc1F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000016045148 553554412 /nfs/dbraw/zinc/55/44/12/553554412.db2.gz LSISFDSRAPLBMT-HNNXBMFYSA-N 0 0 503.939 4.560 50 5 KJBARN O=C(Nc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)cc1)c1ccccc1 ZINC000016115803 553555364 /nfs/dbraw/zinc/55/53/64/553555364.db2.gz NUAUSZNDAMPVIX-UHFFFAOYSA-N 0 0 516.535 4.900 50 5 KJBARN CN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21 ZINC000016158047 553555552 /nfs/dbraw/zinc/55/55/52/553555552.db2.gz OCXBHJMXOGQCMP-UYRXBGFRSA-N 0 0 503.312 4.573 50 5 KJBARN COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)c([N+](=O)[O-])c1 ZINC000016215639 553556816 /nfs/dbraw/zinc/55/68/16/553556816.db2.gz RROAHNBITWIHHX-UHFFFAOYSA-N 0 0 508.581 4.584 50 5 KJBARN COc1ccc(Br)cc1/C=C/C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016226453 553557015 /nfs/dbraw/zinc/55/70/15/553557015.db2.gz FZOLBIGZIKBEQN-FARCUNLSSA-N 0 0 514.298 4.747 50 5 KJBARN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000016276407 553558280 /nfs/dbraw/zinc/55/82/80/553558280.db2.gz UIWUOPKSRCJKIE-QFIPXVFZSA-N 0 0 510.620 4.681 50 5 KJBARN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000016276411 553558290 /nfs/dbraw/zinc/55/82/90/553558290.db2.gz UIWUOPKSRCJKIE-JOCHJYFZSA-N 0 0 510.620 4.681 50 5 KJBARN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000016282605 553558382 /nfs/dbraw/zinc/55/83/82/553558382.db2.gz JWAZRBOLNYITMU-UHFFFAOYSA-N 0 0 500.511 4.991 50 5 KJBARN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000016345882 553560457 /nfs/dbraw/zinc/56/04/57/553560457.db2.gz FCQCXYCNTQHMEE-UHFFFAOYSA-N 0 0 516.645 4.659 50 5 KJBARN CCOC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)CC2)cc1 ZINC000016346132 553560633 /nfs/dbraw/zinc/56/06/33/553560633.db2.gz AEIUOGYFCPTCJY-UHFFFAOYSA-N 0 0 516.963 4.630 50 5 KJBARN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1c(C)nn(Cc2c(F)c(F)c(F)c(F)c2F)c1C ZINC000016346180 553560650 /nfs/dbraw/zinc/56/06/50/553560650.db2.gz SYPVMYFDPMOXQD-UHFFFAOYSA-N 0 0 501.437 4.969 50 5 KJBARN CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3Cl)CC2)cc1 ZINC000016347139 553560630 /nfs/dbraw/zinc/56/06/30/553560630.db2.gz OOMALFSKFAOZJC-UHFFFAOYSA-N 0 0 512.950 4.845 50 5 KJBARN Cc1ccc([N+](=O)[O-])cc1-n1c(=O)c2cc(I)ccc2nc1/C=C/c1ccccn1 ZINC000016361605 553561236 /nfs/dbraw/zinc/56/12/36/553561236.db2.gz NBAAMYWDGSMMJH-JXMROGBWSA-N 0 0 510.291 4.772 50 5 KJBARN Cc1ccc(-n2c(=O)c3cc(I)ccc3nc2/C=C/c2ccccn2)c([N+](=O)[O-])c1 ZINC000016362113 553561227 /nfs/dbraw/zinc/56/12/27/553561227.db2.gz OAZWZBOKJNVKAM-JXMROGBWSA-N 0 0 510.291 4.772 50 5 KJBARN CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2OC)cc1[N+](=O)[O-] ZINC000016383829 553561722 /nfs/dbraw/zinc/56/17/22/553561722.db2.gz ZMTYWZIKRLHETA-UHFFFAOYSA-N 0 0 519.535 4.902 50 5 KJBARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000016383880 553561731 /nfs/dbraw/zinc/56/17/31/553561731.db2.gz BIGIDKJCTCGZKY-UHFFFAOYSA-N 0 0 519.627 4.861 50 5 KJBARN O=C(c1cc(-c2ccncc2)nc2ccc(Br)cc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016392379 553562070 /nfs/dbraw/zinc/56/20/70/553562070.db2.gz WUFDQZBTYZLKIG-UHFFFAOYSA-N 0 0 518.371 4.930 50 5 KJBARN O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000016393314 553562281 /nfs/dbraw/zinc/56/22/81/553562281.db2.gz SQOPGYQAGOAQLD-UHFFFAOYSA-N 0 0 521.426 4.915 50 5 KJBARN 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/nfs/dbraw/zinc/60/37/14/553603714.db2.gz MWNKPPZZUWVDFM-CFZCFRQTSA-N 0 0 501.587 4.805 50 5 KJBARN COc1ccccc1N1C(=O)[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000018155364 553606537 /nfs/dbraw/zinc/60/65/37/553606537.db2.gz HXEWDDRSXPSICH-FDFHNCONSA-N 0 0 514.321 4.961 50 5 KJBARN CC(C)C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018166977 553606853 /nfs/dbraw/zinc/60/68/53/553606853.db2.gz MYUYEDAYPVDWQD-YPDFRVAJSA-N 0 0 509.562 4.840 50 5 KJBARN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018167050 553606822 /nfs/dbraw/zinc/60/68/22/553606822.db2.gz JKALMILGQCTTEK-CYXNTTPDSA-N 0 0 517.538 4.833 50 5 KJBARN CC(=O)Nc1nc(-c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)nc2c3ccccc3oc(=O)c12 ZINC000018196602 553608640 /nfs/dbraw/zinc/60/86/40/553608640.db2.gz JRAQNQLFPDVZMH-UHFFFAOYSA-N 0 0 508.534 4.996 50 5 KJBARN CC(=O)Nc1nc(-c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)nc2c3ccccc3oc(=O)c12 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CCOC(=O)C1C(C)=Nc2nc(SCC(=O)c3ccc(Cl)cc3)nn2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020135904 553593506 /nfs/dbraw/zinc/59/35/06/553593506.db2.gz IRPRALMOFXSDOD-FQEVSTJZSA-N 0 0 513.963 4.667 50 5 KJBARN CCOC(=O)c1ccc(-n2c(CN3CCC(Cc4ccccc4)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000020155113 553598902 /nfs/dbraw/zinc/59/89/02/553598902.db2.gz IKMZHVDIKJWOQS-UHFFFAOYSA-N 0 0 526.593 4.925 50 5 KJBARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H]1c1c[nH]c2ccccc21 ZINC000020155767 553600123 /nfs/dbraw/zinc/60/01/23/553600123.db2.gz MYXMDIXRKFYHRK-UIOOFZCWSA-N 0 0 514.538 4.651 50 5 KJBARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@H]1c1c[nH]c2ccccc21 ZINC000020155769 553600056 /nfs/dbraw/zinc/60/00/56/553600056.db2.gz MYXMDIXRKFYHRK-IZZNHLLZSA-N 0 0 514.538 4.651 50 5 KJBARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H]1c1c[nH]c2ccccc21 ZINC000020155771 553600036 /nfs/dbraw/zinc/60/00/36/553600036.db2.gz MYXMDIXRKFYHRK-FTJBHMTQSA-N 0 0 514.538 4.651 50 5 KJBARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@H]1c1c[nH]c2ccccc21 ZINC000020155773 553600033 /nfs/dbraw/zinc/60/00/33/553600033.db2.gz MYXMDIXRKFYHRK-CLJLJLNGSA-N 0 0 514.538 4.651 50 5 KJBARN CN1C(=O)/C(=C/c2ccccc2F)Sc2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc21 ZINC000020179897 553603652 /nfs/dbraw/zinc/60/36/52/553603652.db2.gz CDGUATFMHGIMPC-UQQQWYQISA-N 0 0 518.570 4.806 50 5 KJBARN Cc1cccc(/C=C2\Sc3ccc(C(=O)N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)cc3N(C)C2=O)c1 ZINC000020179981 553603612 /nfs/dbraw/zinc/60/36/12/553603612.db2.gz WUKOJNBMOBXWBZ-ONUIUJJFSA-N 0 0 514.607 4.975 50 5 KJBARN Cn1c2ccccc2c2c1c(=O)n(C1CCCCC1)cc2C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020182312 553604543 /nfs/dbraw/zinc/60/45/43/553604543.db2.gz AELFEBQSOUTVEV-UHFFFAOYSA-N 0 0 513.598 4.869 50 5 KJBARN COc1ccc(Nc2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc3n2)c(OC)c1 ZINC000020212256 553611494 /nfs/dbraw/zinc/61/14/94/553611494.db2.gz MNYMXAWVWRNPCA-UHFFFAOYSA-N 0 0 513.554 4.866 50 5 KJBARN COc1cc2nc(SCC(=O)c3ccccc3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC ZINC000020216182 553614062 /nfs/dbraw/zinc/61/40/62/553614062.db2.gz RIQQQYAUAVKBDV-UHFFFAOYSA-N 0 0 501.524 4.845 50 5 KJBARN COc1cc2nc(SCc3cccc([N+](=O)[O-])c3)n3nc(CCn4nc(C)cc4C)nc3c2cc1OC ZINC000020216207 553614094 /nfs/dbraw/zinc/61/40/94/553614094.db2.gz AFHSOVVQQLEMGW-UHFFFAOYSA-N 0 0 519.587 4.551 50 5 KJBARN COc1cc2nc(SCc3ccc([N+](=O)[O-])cc3)n3nc(CCn4nc(C)cc4C)nc3c2cc1OC ZINC000020216209 553614075 /nfs/dbraw/zinc/61/40/75/553614075.db2.gz SWQZMBMHVOITJA-UHFFFAOYSA-N 0 0 519.587 4.551 50 5 KJBARN O=[N+]([O-])c1ccc(NC(=S)N2CCOC23CCN(c2ncc(C(F)(F)F)cc2Cl)CC3)cc1 ZINC000020387349 553644070 /nfs/dbraw/zinc/64/40/70/553644070.db2.gz UXKCTTPLBBGGOS-UHFFFAOYSA-N 0 0 501.918 4.688 50 5 KJBARN Cc1ccc([N+](=O)[O-])cc1N(S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020395542 553645674 /nfs/dbraw/zinc/64/56/74/553645674.db2.gz CTMHWFMVKCTANL-UHFFFAOYSA-N 0 0 501.369 4.794 50 5 KJBARN COc1c2c(cc3c1[C@H](CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C)N(C)CC3)OCO2 ZINC000020411458 553646336 /nfs/dbraw/zinc/64/63/36/553646336.db2.gz CTINTHRDYNWNKQ-INIZCTEOSA-N 0 0 513.547 4.957 50 5 biogenic KJBARN COc1c2c(cc3c1[C@@H](CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C)N(C)CC3)OCO2 ZINC000020411460 553646236 /nfs/dbraw/zinc/64/62/36/553646236.db2.gz CTINTHRDYNWNKQ-MRXNPFEDSA-N 0 0 513.547 4.957 50 5 biogenic KJBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000020421588 553648038 /nfs/dbraw/zinc/64/80/38/553648038.db2.gz PLCLSSTYTXGJTO-UHFFFAOYSA-N 0 0 512.337 4.516 50 5 KJBARN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000020464717 553656771 /nfs/dbraw/zinc/65/67/71/553656771.db2.gz UYCXORCIZBLDCO-UHFFFAOYSA-N 0 0 502.502 4.624 50 5 KJBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000020464720 553656710 /nfs/dbraw/zinc/65/67/10/553656710.db2.gz AVINUKCCNMYYRE-UHFFFAOYSA-N 0 0 502.502 4.624 50 5 KJBARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1c1cccs1 ZINC000020508298 553668121 /nfs/dbraw/zinc/66/81/21/553668121.db2.gz SSKMUBASSIEJMA-UIOOFZCWSA-N 0 0 518.639 4.942 50 5 KJBARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1c1cccs1 ZINC000020508301 553667924 /nfs/dbraw/zinc/66/79/24/553667924.db2.gz SSKMUBASSIEJMA-IZZNHLLZSA-N 0 0 518.639 4.942 50 5 KJBARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1c1cccs1 ZINC000020508304 553667916 /nfs/dbraw/zinc/66/79/16/553667916.db2.gz SSKMUBASSIEJMA-FTJBHMTQSA-N 0 0 518.639 4.942 50 5 KJBARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1c1cccs1 ZINC000020508307 553668000 /nfs/dbraw/zinc/66/80/00/553668000.db2.gz SSKMUBASSIEJMA-CLJLJLNGSA-N 0 0 518.639 4.942 50 5 KJBARN O=C(c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020516240 553668716 /nfs/dbraw/zinc/66/87/16/553668716.db2.gz PZCSKZQGJGRJHQ-UHFFFAOYSA-N 0 0 503.525 4.698 50 5 KJBARN Cc1csc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000020576013 553675807 /nfs/dbraw/zinc/67/58/07/553675807.db2.gz XXQNNVVVCYIJBR-UHFFFAOYSA-N 0 0 512.592 4.912 50 5 KJBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCc3ccc(F)cc3)cnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020576025 553675757 /nfs/dbraw/zinc/67/57/57/553675757.db2.gz QVSWEKWLJJNUIZ-UHFFFAOYSA-N 0 0 523.565 4.964 50 5 KJBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCc3cccs3)cnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020576027 553675809 /nfs/dbraw/zinc/67/58/09/553675809.db2.gz BYAAHXMQCNMRIS-UHFFFAOYSA-N 0 0 511.604 4.887 50 5 KJBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCc3ccccc3)cnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020576035 553675792 /nfs/dbraw/zinc/67/57/92/553675792.db2.gz VKXLNQMQRGTBIL-UHFFFAOYSA-N 0 0 519.602 4.868 50 5 KJBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCc3ccccc3)cnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020576037 553675677 /nfs/dbraw/zinc/67/56/77/553675677.db2.gz SGJULVOXFYRVPX-UHFFFAOYSA-N 0 0 505.575 4.825 50 5 KJBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCc3ccsc3)cnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020576047 553675753 /nfs/dbraw/zinc/67/57/53/553675753.db2.gz JBPSBYARBMDCKZ-UHFFFAOYSA-N 0 0 525.631 4.929 50 5 KJBARN O=[N+]([O-])c1ccn(CCc2nc3c4sc5nc(C(F)(F)F)cc(-c6ccco6)c5c4ncn3n2)n1 ZINC000020607868 553677894 /nfs/dbraw/zinc/67/78/94/553677894.db2.gz VWIVTFQTJCLTBU-UHFFFAOYSA-N 0 0 500.422 4.513 50 5 KJBARN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000020618203 553681074 /nfs/dbraw/zinc/68/10/74/553681074.db2.gz JMCNPBXWYLKBRW-UHFFFAOYSA-N 0 0 517.058 4.530 50 5 KJBARN CCCCCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCCO3)cc2nc1SCc1cccc([N+](=O)[O-])c1 ZINC000020643589 553683499 /nfs/dbraw/zinc/68/34/99/553683499.db2.gz CPKUFFHKDXHTQC-NRFANRHFSA-N 0 0 510.616 4.696 50 5 KJBARN CCCCCn1c(=O)c2ccc(C(=O)NC[C@H]3CCCO3)cc2nc1SCc1cccc([N+](=O)[O-])c1 ZINC000020643592 553683515 /nfs/dbraw/zinc/68/35/15/553683515.db2.gz CPKUFFHKDXHTQC-OAQYLSRUSA-N 0 0 510.616 4.696 50 5 KJBARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2nc3n(c(=O)c12)N=C(c1cccc([N+](=O)[O-])c1)CS3 ZINC000020646365 553685302 /nfs/dbraw/zinc/68/53/02/553685302.db2.gz SIWXLULIMWSOEM-UHFFFAOYSA-N 0 0 505.581 4.902 50 5 KJBARN Cc1c(C(=O)Nc2cc(C)cc(C)c2)sc2nc3n(c(=O)c12)N=C(c1ccc([N+](=O)[O-])cc1)CS3 ZINC000020646368 553685297 /nfs/dbraw/zinc/68/52/97/553685297.db2.gz NMOOJIOXSWYUGI-UHFFFAOYSA-N 0 0 505.581 4.902 50 5 KJBARN Cc1c(C(=O)Nc2c(C)cccc2C)sc2nc3n(c(=O)c12)N=C(c1cccc([N+](=O)[O-])c1)CS3 ZINC000020646378 553685364 /nfs/dbraw/zinc/68/53/64/553685364.db2.gz VXEVNRPIXVDLAX-UHFFFAOYSA-N 0 0 505.581 4.902 50 5 KJBARN Cc1c(C(=O)Nc2cccc(C)c2C)sc2nc3n(c(=O)c12)N=C(c1cccc([N+](=O)[O-])c1)CS3 ZINC000020646390 553685379 /nfs/dbraw/zinc/68/53/79/553685379.db2.gz IQOZSUAFHGCZDV-UHFFFAOYSA-N 0 0 505.581 4.902 50 5 KJBARN Cc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3n(c(=O)c12)N=C(c1ccc([N+](=O)[O-])cc1)CS3 ZINC000020646394 553685241 /nfs/dbraw/zinc/68/52/41/553685241.db2.gz BJZLYYVKXZMRRG-UHFFFAOYSA-N 0 0 511.972 4.938 50 5 KJBARN Cc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3n(c(=O)c12)N=C(c1cccc([N+](=O)[O-])c1)CS3 ZINC000020646397 553685375 /nfs/dbraw/zinc/68/53/75/553685375.db2.gz PRNRUCFMTRWQDJ-UHFFFAOYSA-N 0 0 511.972 4.938 50 5 KJBARN O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000020662216 1067206941 /nfs/dbraw/zinc/20/69/41/1067206941.db2.gz CINXUFIKTPCJMW-OAQYLSRUSA-N 0 0 500.964 4.811 50 5 biogenic KJBARN O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000020662217 1067207039 /nfs/dbraw/zinc/20/70/39/1067207039.db2.gz CINXUFIKTPCJMW-NRFANRHFSA-N 0 0 500.964 4.811 50 5 biogenic KJBARN COC(=O)c1cc(NC(=O)c2ccc(N3CCCC[C@@H]3c3cccnc3)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000020663183 553685892 /nfs/dbraw/zinc/68/58/92/553685892.db2.gz LANLRHUGZRZHPV-JOCHJYFZSA-N 0 0 518.526 4.547 50 5 biogenic KJBARN COC(=O)c1cc(NC(=O)c2ccc(N3CCCC[C@H]3c3cccnc3)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000020663185 553685922 /nfs/dbraw/zinc/68/59/22/553685922.db2.gz LANLRHUGZRZHPV-QFIPXVFZSA-N 0 0 518.526 4.547 50 5 biogenic KJBARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1 ZINC000020663203 553685915 /nfs/dbraw/zinc/68/59/15/553685915.db2.gz DGJSUSTWLUFHDZ-WBVHZDCISA-N 0 0 514.460 4.531 50 5 KJBARN O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000020663959 553686092 /nfs/dbraw/zinc/68/60/92/553686092.db2.gz KAHZQDCUCHXEPL-UHFFFAOYSA-N 0 0 502.961 4.566 50 5 KJBARN CCOC(=O)N1CCC(NC(=O)c2ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c2)CC1 ZINC000020664434 553686464 /nfs/dbraw/zinc/68/64/64/553686464.db2.gz ZDGFKQCJRWSCTL-UHFFFAOYSA-N 0 0 508.394 4.859 50 5 KJBARN Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1 ZINC000020726515 553690210 /nfs/dbraw/zinc/69/02/10/553690210.db2.gz LXYVPBKREPHIEC-ITYLOYPMSA-N 0 0 514.607 4.732 50 5 KJBARN O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020727988 553690964 /nfs/dbraw/zinc/69/09/64/553690964.db2.gz ZXPXETPMRWWWOB-UQQQWYQISA-N 0 0 518.570 4.563 50 5 KJBARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000020738462 553694881 /nfs/dbraw/zinc/69/48/81/553694881.db2.gz KAUUHJIINJUOGM-ROUUACIJSA-N 0 0 503.386 4.908 50 5 KJBARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000020738832 553694832 /nfs/dbraw/zinc/69/48/32/553694832.db2.gz IJAXLKBGYKOEPA-PMACEKPBSA-N 0 0 517.504 4.781 50 5 KJBARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000020738923 553694837 /nfs/dbraw/zinc/69/48/37/553694837.db2.gz NKMDEWCHZGWJPA-PMACEKPBSA-N 0 0 502.493 4.620 50 5 KJBARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000020739107 553694892 /nfs/dbraw/zinc/69/48/92/553694892.db2.gz NDPMTMHOEHWZCW-ROUUACIJSA-N 0 0 501.370 4.684 50 5 KJBARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000020739433 553694883 /nfs/dbraw/zinc/69/48/83/553694883.db2.gz HQOYZROWBBZNGO-PMACEKPBSA-N 0 0 515.488 4.557 50 5 KJBARN COc1cc2c(cc1OC)[C@H](C)N(c1ccc(N3C(=O)C[C@H](c4ccccc4)C3=O)cc1[N+](=O)[O-])CC2 ZINC000020740486 553694865 /nfs/dbraw/zinc/69/48/65/553694865.db2.gz SHOHWHNDJHIHEM-HTAPYJJXSA-N 0 0 501.539 4.783 50 5 KJBARN O=C1C[C@@H](c2ccccc2)C(=O)N1c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000020740490 553694819 /nfs/dbraw/zinc/69/48/19/553694819.db2.gz DNTRNBPUHSOLLS-QHCPKHFHSA-N 0 0 504.974 4.618 50 5 KJBARN C[C@@H]1CC(=O)N(c2ccc(N3CCC(O)(c4ccc(Cl)c(C(F)(F)F)c4)CC3)c([N+](=O)[O-])c2)C1=O ZINC000020740621 553694844 /nfs/dbraw/zinc/69/48/44/553694844.db2.gz ATCFDGYQOCKORG-CYBMUJFWSA-N 0 0 511.884 4.654 50 5 KJBARN O=C1CCCC(=O)N1c1ccc(N2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000020740731 553695206 /nfs/dbraw/zinc/69/52/06/553695206.db2.gz BGGZFDAHJLTNOK-UHFFFAOYSA-N 0 0 511.884 4.799 50 5 KJBARN O=C1CCCC(=O)N1c1ccc(N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000020740742 553695227 /nfs/dbraw/zinc/69/52/27/553695227.db2.gz MSNMHILTXABCJG-UHFFFAOYSA-N 0 0 528.609 4.567 50 5 KJBARN COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020900512 553701278 /nfs/dbraw/zinc/70/12/78/553701278.db2.gz BGRLCWKOJPIPSP-UHFFFAOYSA-N 0 0 500.511 4.564 50 5 KJBARN COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020900516 553701366 /nfs/dbraw/zinc/70/13/66/553701366.db2.gz PNWHNMSVOMGSHN-UHFFFAOYSA-N 0 0 500.511 4.564 50 5 KJBARN COc1cccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000020900524 553701362 /nfs/dbraw/zinc/70/13/62/553701362.db2.gz WCGBWBDZGZSRJZ-UHFFFAOYSA-N 0 0 500.511 4.564 50 5 KJBARN COc1cccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000020900526 553701323 /nfs/dbraw/zinc/70/13/23/553701323.db2.gz CDUXERKHHVAPOC-UHFFFAOYSA-N 0 0 500.511 4.564 50 5 KJBARN O=c1cc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c2c(ccc3ccccc32)o1 ZINC000021486427 553709936 /nfs/dbraw/zinc/70/99/36/553709936.db2.gz CXWAZHOUKIVRAA-UHFFFAOYSA-N 0 0 503.407 4.760 50 5 KJBARN O=c1c2c(-c3ccc(Cl)cc3)csc2nc2c3ccccc3c(NCCCN3CCOCC3)nn12 ZINC000021548820 553712236 /nfs/dbraw/zinc/71/22/36/553712236.db2.gz GHNRUQJJIKAODM-UHFFFAOYSA-N 0 0 506.031 4.912 50 5 KJBARN CCOC(=O)C(=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1)C(=O)OCC ZINC000022064555 553725499 /nfs/dbraw/zinc/72/54/99/553725499.db2.gz XKOFLPGLIZJRQN-UHFFFAOYSA-N 0 0 522.348 4.845 50 5 KJBARN COc1ccc(C(=O)N/C(=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000022078941 1066201791 /nfs/dbraw/zinc/20/17/91/1066201791.db2.gz IXVFXWNPUSUXSA-NDENLUEZSA-N 0 0 511.918 4.684 50 5 KJBARN COc1ccc(C(=O)N/C(=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)Nc2ccc(C)cc2C)cc1 ZINC000022078976 1066201751 /nfs/dbraw/zinc/20/17/51/1066201751.db2.gz JOPWVSLLCLSPMI-XKZIYDEJSA-N 0 0 505.527 4.647 50 5 KJBARN COc1ccc(N(CC(=O)Nc2cccc3ccccc32)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000022184938 553727422 /nfs/dbraw/zinc/72/74/22/553727422.db2.gz NJXXFTULNCYVJA-UHFFFAOYSA-N 0 0 505.552 4.899 50 5 KJBARN CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000022515439 553743730 /nfs/dbraw/zinc/74/37/30/553743730.db2.gz DPPMMNIQWGUISM-UHFFFAOYSA-N 0 0 528.679 4.722 50 5 KJBARN NC(=O)c1c(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153837 553771102 /nfs/dbraw/zinc/77/11/02/553771102.db2.gz ZQSRRLMZQZAKSG-UHFFFAOYSA-N 0 0 509.587 4.917 50 5 KJBARN COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000024576457 553791037 /nfs/dbraw/zinc/79/10/37/553791037.db2.gz QSWZYGSTECLGOU-QGZVFWFLSA-N 0 0 517.991 4.638 50 5 KJBARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)cc1 ZINC000025422222 553808584 /nfs/dbraw/zinc/80/85/84/553808584.db2.gz UBPQTWOKYUOFEY-UHFFFAOYSA-N 0 0 509.584 4.938 50 5 KJBARN CCOC(=O)c1c2cc(-c3cccc(OC)c3)ncn2c(C(=O)c2cccc([N+](=O)[O-])c2)c1C(=O)OCC ZINC000025560417 553810082 /nfs/dbraw/zinc/81/00/82/553810082.db2.gz UFNVINFOXJYBKO-UHFFFAOYSA-N 0 0 517.494 4.503 50 5 KJBARN CCOC(=O)c1c2cc(-c3cccc(C)c3)ncn2c(C(=O)c2ccc([N+](=O)[O-])cc2)c1C(=O)OCC ZINC000025580635 553811467 /nfs/dbraw/zinc/81/14/67/553811467.db2.gz UODONLVYWIEXLQ-UHFFFAOYSA-N 0 0 501.495 4.802 50 5 KJBARN CCOC(=O)C(Cc1c2ccccc2c(CC(C(=O)OCC)C(=O)OCC)c2ccccc21)C(=O)OCC ZINC000025694229 553812812 /nfs/dbraw/zinc/81/28/12/553812812.db2.gz FDBDMQTVWTVTRO-UHFFFAOYSA-N 0 0 522.594 4.563 50 5 KJBARN CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000026688628 553820550 /nfs/dbraw/zinc/82/05/50/553820550.db2.gz JCCGAXFVNNFHND-NRFANRHFSA-N 0 0 508.918 4.643 50 5 KJBARN CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000026688632 553820524 /nfs/dbraw/zinc/82/05/24/553820524.db2.gz JCCGAXFVNNFHND-OAQYLSRUSA-N 0 0 508.918 4.643 50 5 KJBARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000026964444 553822571 /nfs/dbraw/zinc/82/25/71/553822571.db2.gz SKNFPJKMUMVKJL-XMMPIXPASA-N 0 0 517.567 4.661 50 5 KJBARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000026964450 553822555 /nfs/dbraw/zinc/82/25/55/553822555.db2.gz SKNFPJKMUMVKJL-DEOSSOPVSA-N 0 0 517.567 4.661 50 5 KJBARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000026964981 553822644 /nfs/dbraw/zinc/82/26/44/553822644.db2.gz DKDAQRGADQYUNT-AREMUKBSSA-N 0 0 509.522 4.819 50 5 KJBARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000026964991 553822580 /nfs/dbraw/zinc/82/25/80/553822580.db2.gz DKDAQRGADQYUNT-SANMLTNESA-N 0 0 509.522 4.819 50 5 KJBARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1c1nc2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2n1 ZINC000027024256 553824585 /nfs/dbraw/zinc/82/45/85/553824585.db2.gz NTKRVCDIDRYVEK-OJLVUORRSA-N 0 0 503.367 4.926 50 5 KJBARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1c1nc2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2n1 ZINC000027024261 553824590 /nfs/dbraw/zinc/82/45/90/553824590.db2.gz NTKRVCDIDRYVEK-DPJWLOPSSA-N 0 0 503.367 4.926 50 5 KJBARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1c1nc2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2n1 ZINC000027024267 553824571 /nfs/dbraw/zinc/82/45/71/553824571.db2.gz NTKRVCDIDRYVEK-BFABYBEPSA-N 0 0 503.367 4.926 50 5 KJBARN CC1(C)[C@H](c2nc3s/c(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n3n2)[C@H]1C=C(Cl)Cl ZINC000027024273 553824596 /nfs/dbraw/zinc/82/45/96/553824596.db2.gz NTKRVCDIDRYVEK-FNPKSKJISA-N 0 0 503.367 4.926 50 5 KJBARN Cc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000027471751 553826027 /nfs/dbraw/zinc/82/60/27/553826027.db2.gz FHCXDPOLMHVBLO-UHFFFAOYSA-N 0 0 502.483 4.535 50 5 KJBARN O=C(Nc1cccc([N+](=O)[O-])c1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br ZINC000027521072 553827408 /nfs/dbraw/zinc/82/74/08/553827408.db2.gz ORUAQTFCEFRYHW-NDENLUEZSA-N 0 0 511.288 4.675 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br ZINC000027521085 553827369 /nfs/dbraw/zinc/82/73/69/553827369.db2.gz ZRLKQKIVTCPUOZ-MOSHPQCFSA-N 0 0 511.288 4.675 50 5 KJBARN CC(=O)c1cccc(NC(=O)C(=Cc2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2Br)c1 ZINC000027521089 553827412 /nfs/dbraw/zinc/82/74/12/553827412.db2.gz YFZTZUIBAXAZLX-XKZIYDEJSA-N 0 0 508.328 4.970 50 5 KJBARN COc1ccccc1/C=C(\NC(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000027521352 553827727 /nfs/dbraw/zinc/82/77/27/553827727.db2.gz MMWNKRGRIMIASY-UNOMPAQXSA-N 0 0 511.918 4.684 50 5 KJBARN COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccc(OC)c(OC)c2)c(Cl)c1 ZINC000027521514 553827693 /nfs/dbraw/zinc/82/76/93/553827693.db2.gz SDYLXDIBEKTCRC-CIAFOILYSA-N 0 0 511.918 4.684 50 5 KJBARN O=C(Nc1cccc([N+](=O)[O-])c1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br ZINC000027521653 553828129 /nfs/dbraw/zinc/82/81/29/553828129.db2.gz KKVDAZVASCIMPB-UDWIEESQSA-N 0 0 511.288 4.675 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br ZINC000027521656 553828121 /nfs/dbraw/zinc/82/81/21/553828121.db2.gz XPHIEBPERMCCBX-DEDYPNTBSA-N 0 0 511.288 4.675 50 5 KJBARN COc1ccc(/C=C(\NC(=O)c2ccc(Cl)cc2)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000027521735 553828135 /nfs/dbraw/zinc/82/81/35/553828135.db2.gz KGQXYHLXXVCKQD-NDENLUEZSA-N 0 0 511.918 4.684 50 5 KJBARN COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000027521742 553828141 /nfs/dbraw/zinc/82/81/41/553828141.db2.gz XYVGCRJPYNJREZ-ODLFYWEKSA-N 0 0 511.918 4.684 50 5 KJBARN COc1ccc(Br)c(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2cccc(F)c2)c1 ZINC000027521783 553828157 /nfs/dbraw/zinc/82/81/57/553828157.db2.gz XUUCPKFXSCBANY-NHDPSOOVSA-N 0 0 514.307 4.915 50 5 KJBARN COc1ccc(Br)c(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccc(F)cc2)c1 ZINC000027521785 553828147 /nfs/dbraw/zinc/82/81/47/553828147.db2.gz ZZDMHTLUXLOVLB-MTJSOVHGSA-N 0 0 514.307 4.915 50 5 KJBARN COc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)Nc2ccc(F)cc2)cc1Br ZINC000027521820 553828137 /nfs/dbraw/zinc/82/81/37/553828137.db2.gz AJWMPLUIYUBBBU-NDENLUEZSA-N 0 0 514.307 4.915 50 5 KJBARN COc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)Nc2cccc(F)c2)cc1Br ZINC000027521824 553828159 /nfs/dbraw/zinc/82/81/59/553828159.db2.gz ABMPHQHKHLVOIS-JAIQZWGSSA-N 0 0 514.307 4.915 50 5 KJBARN COc1ccc(Br)cc1C(=O)N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(F)c1 ZINC000027521877 553828126 /nfs/dbraw/zinc/82/81/26/553828126.db2.gz BRCWAUNFAPRYEC-JAIQZWGSSA-N 0 0 514.307 4.915 50 5 KJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(F)cc1Cl ZINC000027521958 553828450 /nfs/dbraw/zinc/82/84/50/553828450.db2.gz AFXNUGVIGMARCN-JMIUGGIZSA-N 0 0 514.853 4.714 50 5 KJBARN COc1ccc(Br)cc1C(=O)N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1 ZINC000027521998 553828439 /nfs/dbraw/zinc/82/84/39/553828439.db2.gz PGWRMUHEFRNQLA-MOSHPQCFSA-N 0 0 502.365 4.586 50 5 KJBARN CC(=O)c1cccc(NC(=O)C(=Cc2cccc([N+](=O)[O-])c2)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000027522059 553828429 /nfs/dbraw/zinc/82/84/29/553828429.db2.gz KPCMBRBBYYDXJY-JJFYIABZSA-N 0 0 508.874 4.769 50 5 KJBARN O=C(Nc1ccc(F)cc1F)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000027522063 553828398 /nfs/dbraw/zinc/82/83/98/553828398.db2.gz BLWNHNGQMZUTEA-UKWGHVSLSA-N 0 0 502.817 4.844 50 5 KJBARN COc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000027522138 553828459 /nfs/dbraw/zinc/82/84/59/553828459.db2.gz KPLPNRVOVJKHFW-NDENLUEZSA-N 0 0 511.918 4.684 50 5 KJBARN COc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cc(Cl)ccc2OC)c(OC)c1 ZINC000027522187 553828445 /nfs/dbraw/zinc/82/84/45/553828445.db2.gz CLEMVWLDOQARMR-MTJSOVHGSA-N 0 0 511.918 4.684 50 5 KJBARN COc1ccc(Br)cc1C(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(F)c1 ZINC000027522194 553828473 /nfs/dbraw/zinc/82/84/73/553828473.db2.gz FBOPUZWEBGHPOA-JAIQZWGSSA-N 0 0 514.307 4.915 50 5 KJBARN COc1ccc(Br)cc1C(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1 ZINC000027522198 553828789 /nfs/dbraw/zinc/82/87/89/553828789.db2.gz QMULMTHITMFGPB-NDENLUEZSA-N 0 0 514.307 4.915 50 5 KJBARN COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccc(F)cc2)cc1Br ZINC000027522208 553828766 /nfs/dbraw/zinc/82/87/66/553828766.db2.gz UUZJZQKXHWHVSL-NDENLUEZSA-N 0 0 514.307 4.915 50 5 KJBARN COc1ccc(C(=O)N/C(=C\c2ccccc2[N+](=O)[O-])C(=O)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000027522748 553829343 /nfs/dbraw/zinc/82/93/43/553829343.db2.gz AOBMSOOQFMBSLQ-ODLFYWEKSA-N 0 0 510.890 4.883 50 5 KJBARN CCOc1ccc([C@@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000027522937 553829647 /nfs/dbraw/zinc/82/96/47/553829647.db2.gz ZHZXYKCEDVTXMN-DHIUTWEWSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000027522939 553829659 /nfs/dbraw/zinc/82/96/59/553829659.db2.gz ZHZXYKCEDVTXMN-XZOQPEGZSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000027522941 553829718 /nfs/dbraw/zinc/82/97/18/553829718.db2.gz ZHZXYKCEDVTXMN-PKTZIBPZSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000027522943 553829750 /nfs/dbraw/zinc/82/97/50/553829750.db2.gz ZHZXYKCEDVTXMN-GOTSBHOMSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000027522958 553829642 /nfs/dbraw/zinc/82/96/42/553829642.db2.gz HHWCJYWATMIFLP-DHIUTWEWSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000027522960 553829591 /nfs/dbraw/zinc/82/95/91/553829591.db2.gz HHWCJYWATMIFLP-XZOQPEGZSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000027522962 553829683 /nfs/dbraw/zinc/82/96/83/553829683.db2.gz HHWCJYWATMIFLP-PKTZIBPZSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000027522964 553829669 /nfs/dbraw/zinc/82/96/69/553829669.db2.gz HHWCJYWATMIFLP-GOTSBHOMSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000027522982 553829608 /nfs/dbraw/zinc/82/96/08/553829608.db2.gz VSPXEBKOIGHXJY-DHIUTWEWSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000027522983 553829680 /nfs/dbraw/zinc/82/96/80/553829680.db2.gz VSPXEBKOIGHXJY-XZOQPEGZSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000027522985 553829729 /nfs/dbraw/zinc/82/97/29/553829729.db2.gz VSPXEBKOIGHXJY-PKTZIBPZSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000027522987 553829631 /nfs/dbraw/zinc/82/96/31/553829631.db2.gz VSPXEBKOIGHXJY-GOTSBHOMSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000027522997 553829743 /nfs/dbraw/zinc/82/97/43/553829743.db2.gz OTSFOMHNXPFRRQ-DHIUTWEWSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000027522999 553829625 /nfs/dbraw/zinc/82/96/25/553829625.db2.gz OTSFOMHNXPFRRQ-XZOQPEGZSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000027523001 553829665 /nfs/dbraw/zinc/82/96/65/553829665.db2.gz OTSFOMHNXPFRRQ-PKTZIBPZSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000027523003 553829723 /nfs/dbraw/zinc/82/97/23/553829723.db2.gz OTSFOMHNXPFRRQ-GOTSBHOMSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2cccc(Cl)c2C)cc1 ZINC000027523011 553829712 /nfs/dbraw/zinc/82/97/12/553829712.db2.gz QFJOIGZQZWFQPU-DHIUTWEWSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2cccc(Cl)c2C)cc1 ZINC000027523012 553829613 /nfs/dbraw/zinc/82/96/13/553829613.db2.gz QFJOIGZQZWFQPU-XZOQPEGZSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2cccc(Cl)c2C)cc1 ZINC000027523013 553829636 /nfs/dbraw/zinc/82/96/36/553829636.db2.gz QFJOIGZQZWFQPU-PKTZIBPZSA-N 0 0 505.914 4.708 50 5 KJBARN CCOc1ccc([C@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2cccc(Cl)c2C)cc1 ZINC000027523015 553829893 /nfs/dbraw/zinc/82/98/93/553829893.db2.gz QFJOIGZQZWFQPU-GOTSBHOMSA-N 0 0 505.914 4.708 50 5 KJBARN O=C1[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](c2ccc(F)cc2)N1c1cc(Cl)cc(Cl)c1 ZINC000027527609 553830641 /nfs/dbraw/zinc/83/06/41/553830641.db2.gz OISVQQDUDCRVGV-WOJBJXKFSA-N 0 0 500.269 4.793 50 5 KJBARN O=C1[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](c2ccc(F)cc2)N1c1cc(Cl)cc(Cl)c1 ZINC000027527610 553830698 /nfs/dbraw/zinc/83/06/98/553830698.db2.gz OISVQQDUDCRVGV-VQTJNVASSA-N 0 0 500.269 4.793 50 5 KJBARN O=C1[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](c2ccc(F)cc2)N1c1cc(Cl)cc(Cl)c1 ZINC000027527611 553830552 /nfs/dbraw/zinc/83/05/52/553830552.db2.gz OISVQQDUDCRVGV-UXHICEINSA-N 0 0 500.269 4.793 50 5 KJBARN O=C1[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](c2ccc(F)cc2)N1c1cc(Cl)cc(Cl)c1 ZINC000027527612 553830543 /nfs/dbraw/zinc/83/05/43/553830543.db2.gz OISVQQDUDCRVGV-PMACEKPBSA-N 0 0 500.269 4.793 50 5 KJBARN CCCC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000027533906 553832300 /nfs/dbraw/zinc/83/23/00/553832300.db2.gz UVNGKHQJKNGBSN-YPDFRVAJSA-N 0 0 509.562 4.984 50 5 KJBARN CCCC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000027533910 553832287 /nfs/dbraw/zinc/83/22/87/553832287.db2.gz UVNGKHQJKNGBSN-HGKBCKHUSA-N 0 0 509.562 4.984 50 5 KJBARN CCCC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000027533912 553832354 /nfs/dbraw/zinc/83/23/54/553832354.db2.gz UVNGKHQJKNGBSN-YOJFPRAJSA-N 0 0 509.562 4.984 50 5 KJBARN O=C(Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1 ZINC000029491204 553844957 /nfs/dbraw/zinc/84/49/57/553844957.db2.gz CQMOOCQJBQHARY-UHFFFAOYSA-N 0 0 545.599 4.852 50 5 KJBARN O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000029491244 553844931 /nfs/dbraw/zinc/84/49/31/553844931.db2.gz HQESARUUPJBLST-UHFFFAOYSA-N 0 0 581.654 4.613 50 5 KJBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(-c5ccccc5)c5ccccc5c4=O)c3)CC2)cc1 ZINC000029491449 553845213 /nfs/dbraw/zinc/84/52/13/553845213.db2.gz SROBARRZCRFKQD-UHFFFAOYSA-N 0 0 581.654 4.780 50 5 KJBARN Cc1ccc(-c2nn(-c3cc(N4CCN(S(=O)(=O)c5ccccc5)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc32)cc1 ZINC000029492076 553845504 /nfs/dbraw/zinc/84/55/04/553845504.db2.gz RJBMJLOXWVXENH-UHFFFAOYSA-N 0 0 581.654 4.780 50 5 KJBARN CCn1c(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000029492466 553845758 /nfs/dbraw/zinc/84/57/58/553845758.db2.gz GRUKQHYUIMQLPY-UHFFFAOYSA-N 0 0 542.665 4.899 50 5 KJBARN O=C(/C=C/c1ccccc1)Nc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000029747349 553846930 /nfs/dbraw/zinc/84/69/30/553846930.db2.gz RPEXFVMUPCJZSE-AZHYCDBVSA-N 0 0 644.732 4.995 50 5 KJBARN CCOc1ccc([C@@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000029747469 553847521 /nfs/dbraw/zinc/84/75/21/553847521.db2.gz PLCAAMWDLWTPAQ-FGZHOGPDSA-N 0 0 536.338 4.509 50 5 KJBARN CCOc1ccc([C@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000029747470 553847565 /nfs/dbraw/zinc/84/75/65/553847565.db2.gz PLCAAMWDLWTPAQ-FCHUYYIVSA-N 0 0 536.338 4.509 50 5 KJBARN CCOc1ccc([C@@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000029747472 553847532 /nfs/dbraw/zinc/84/75/32/553847532.db2.gz PLCAAMWDLWTPAQ-YADHBBJMSA-N 0 0 536.338 4.509 50 5 KJBARN CCOc1ccc([C@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000029747473 553847633 /nfs/dbraw/zinc/84/76/33/553847633.db2.gz PLCAAMWDLWTPAQ-VXKWHMMOSA-N 0 0 536.338 4.509 50 5 KJBARN COc1cc([C@@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000029747490 553847885 /nfs/dbraw/zinc/84/78/85/553847885.db2.gz GSQVINZQRTVBEK-FGZHOGPDSA-N 0 0 572.357 4.680 50 5 KJBARN COc1cc([C@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000029747491 553847984 /nfs/dbraw/zinc/84/79/84/553847984.db2.gz GSQVINZQRTVBEK-FCHUYYIVSA-N 0 0 572.357 4.680 50 5 KJBARN COc1cc([C@@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000029747492 553848062 /nfs/dbraw/zinc/84/80/62/553848062.db2.gz GSQVINZQRTVBEK-YADHBBJMSA-N 0 0 572.357 4.680 50 5 KJBARN COc1cc([C@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000029747493 553847894 /nfs/dbraw/zinc/84/78/94/553847894.db2.gz GSQVINZQRTVBEK-VXKWHMMOSA-N 0 0 572.357 4.680 50 5 KJBARN COc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1 ZINC000029747547 553847952 /nfs/dbraw/zinc/84/79/52/553847952.db2.gz STKDEYXVBMDKAN-UHFFFAOYSA-N 0 0 520.548 4.745 50 5 KJBARN CSCC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000029747749 553848663 /nfs/dbraw/zinc/84/86/63/553848663.db2.gz IYOPCPHPSUPNQU-IQTFSTCVSA-N 0 0 527.602 4.547 50 5 KJBARN CSCC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000029747750 553848566 /nfs/dbraw/zinc/84/85/66/553848566.db2.gz IYOPCPHPSUPNQU-FBQJVNEBSA-N 0 0 527.602 4.547 50 5 KJBARN CSCC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000029747751 553848524 /nfs/dbraw/zinc/84/85/24/553848524.db2.gz IYOPCPHPSUPNQU-OVPRBVAASA-N 0 0 527.602 4.547 50 5 KJBARN C[C@@]12C[C@@H](NC(=O)N1c1ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc1)c1cc(Cl)ccc1O2 ZINC000029749597 553852261 /nfs/dbraw/zinc/85/22/61/553852261.db2.gz JZYMFTQPMYPITM-UFHPHHKVSA-N 0 0 547.999 4.980 50 5 KJBARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752576 553853836 /nfs/dbraw/zinc/85/38/36/553853836.db2.gz NLFXDEWIBIYGOP-XZWHSSHBSA-N 0 0 570.646 4.578 50 5 KJBARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752577 553853820 /nfs/dbraw/zinc/85/38/20/553853820.db2.gz NLFXDEWIBIYGOP-KYJUHHDHSA-N 0 0 570.646 4.578 50 5 KJBARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752579 553853775 /nfs/dbraw/zinc/85/37/75/553853775.db2.gz NLFXDEWIBIYGOP-LOYHVIPDSA-N 0 0 570.646 4.578 50 5 KJBARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752581 553853794 /nfs/dbraw/zinc/85/37/94/553853794.db2.gz NLFXDEWIBIYGOP-IHLOFXLRSA-N 0 0 570.646 4.578 50 5 KJBARN CCCNC(=O)c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n(CCc1ccccc1)c2=O ZINC000033074198 553906114 /nfs/dbraw/zinc/90/61/14/553906114.db2.gz FGMGZITUYHCDET-UHFFFAOYSA-N 0 0 502.596 4.980 50 5 KJBARN CCCNC(=O)c1ccc2c(c1)nc(SCc1ccc([N+](=O)[O-])cc1)n(CCc1ccccc1)c2=O ZINC000033074209 553906086 /nfs/dbraw/zinc/90/60/86/553906086.db2.gz ATFDIIQCZBVHNQ-UHFFFAOYSA-N 0 0 502.596 4.980 50 5 KJBARN CC(C)NC(=O)c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n(CCc1ccccc1)c2=O ZINC000033074237 553906039 /nfs/dbraw/zinc/90/60/39/553906039.db2.gz GTFILLUDELGBIM-UHFFFAOYSA-N 0 0 502.596 4.978 50 5 KJBARN CC(C)NC(=O)c1ccc2c(c1)nc(SCc1ccc([N+](=O)[O-])cc1)n(CCc1ccccc1)c2=O ZINC000033074249 553906053 /nfs/dbraw/zinc/90/60/53/553906053.db2.gz HACDNTPRYDFHQP-UHFFFAOYSA-N 0 0 502.596 4.978 50 5 KJBARN COCCNC(=O)c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n(-c1cc(C)cc(C)c1)c2=O ZINC000033077644 553906732 /nfs/dbraw/zinc/90/67/32/553906732.db2.gz DPHPIYDDXDAVGR-UHFFFAOYSA-N 0 0 518.595 4.579 50 5 KJBARN COCCNC(=O)c1ccc2c(c1)nc(SCc1ccc([N+](=O)[O-])cc1)n(-c1cc(C)cc(C)c1)c2=O ZINC000033077649 553906766 /nfs/dbraw/zinc/90/67/66/553906766.db2.gz LCCIBNYLSBEUMM-UHFFFAOYSA-N 0 0 518.595 4.579 50 5 KJBARN CCCNC(=O)c1ccc2c(c1)nc(SCc1ccc([N+](=O)[O-])cc1)n(-c1ccc(OC)cc1)c2=O ZINC000033077708 553906921 /nfs/dbraw/zinc/90/69/21/553906921.db2.gz LRKXCULXOGHXJS-UHFFFAOYSA-N 0 0 504.568 4.735 50 5 KJBARN COc1ccc(-n2c(=O)c3ccc(C(=O)NC(C)C)cc3nc2SCc2cccc([N+](=O)[O-])c2)cc1 ZINC000033077731 553906947 /nfs/dbraw/zinc/90/69/47/553906947.db2.gz BYCMEEOOPDUVTF-UHFFFAOYSA-N 0 0 504.568 4.733 50 5 KJBARN COc1ccc(-n2c(=O)c3ccc(C(=O)NC(C)C)cc3nc2SCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000033077737 553907279 /nfs/dbraw/zinc/90/72/79/553907279.db2.gz NMKXXJGRWHANNL-UHFFFAOYSA-N 0 0 504.568 4.733 50 5 KJBARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCC(C)C)cc3nc2SCc2cccc([N+](=O)[O-])c2)cc1 ZINC000033077757 553907303 /nfs/dbraw/zinc/90/73/03/553907303.db2.gz VVLFLZFJYLYGCC-UHFFFAOYSA-N 0 0 518.595 4.981 50 5 KJBARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCC(C)C)cc3nc2SCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000033077762 553907264 /nfs/dbraw/zinc/90/72/64/553907264.db2.gz RZHDNCXYFRPYFY-UHFFFAOYSA-N 0 0 518.595 4.981 50 5 KJBARN CCCNC(=O)c1ccc2c(c1)nc(SCc1ccc([N+](=O)[O-])cc1)n(-c1cccc(OC)c1)c2=O ZINC000033077773 553907252 /nfs/dbraw/zinc/90/72/52/553907252.db2.gz DOAUHPUHENCONF-UHFFFAOYSA-N 0 0 504.568 4.735 50 5 KJBARN COc1cccc(-n2c(=O)c3ccc(C(=O)NC(C)C)cc3nc2SCc2cccc([N+](=O)[O-])c2)c1 ZINC000033077795 553907290 /nfs/dbraw/zinc/90/72/90/553907290.db2.gz SHLQFGBQVSLOQP-UHFFFAOYSA-N 0 0 504.568 4.733 50 5 KJBARN COc1cccc(-n2c(=O)c3ccc(C(=O)NC(C)C)cc3nc2SCc2ccc([N+](=O)[O-])cc2)c1 ZINC000033077801 553907232 /nfs/dbraw/zinc/90/72/32/553907232.db2.gz MWCXTSWBIWFBRB-UHFFFAOYSA-N 0 0 504.568 4.733 50 5 KJBARN COc1cccc(-n2c(=O)c3ccc(C(=O)NCC(C)C)cc3nc2SCc2cccc([N+](=O)[O-])c2)c1 ZINC000033077822 553907617 /nfs/dbraw/zinc/90/76/17/553907617.db2.gz TWMFEAVSPLSSIN-UHFFFAOYSA-N 0 0 518.595 4.981 50 5 KJBARN COc1cccc(-n2c(=O)c3ccc(C(=O)NCC(C)C)cc3nc2SCc2ccc([N+](=O)[O-])cc2)c1 ZINC000033077827 553907576 /nfs/dbraw/zinc/90/75/76/553907576.db2.gz TUYHSITXXGPWMO-UHFFFAOYSA-N 0 0 518.595 4.981 50 5 KJBARN O=C(c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n(-c1ccc(F)cc1)c2=O)N1CCCC1 ZINC000033077863 553907874 /nfs/dbraw/zinc/90/78/74/553907874.db2.gz UHBHTMJJRKEADH-UHFFFAOYSA-N 0 0 504.543 4.961 50 5 KJBARN O=C(c1ccc2c(c1)nc(SCc1ccc([N+](=O)[O-])cc1)n(-c1ccc(F)cc1)c2=O)N1CCCC1 ZINC000033077869 553907888 /nfs/dbraw/zinc/90/78/88/553907888.db2.gz PVEUZMWIULLBCL-UHFFFAOYSA-N 0 0 504.543 4.961 50 5 KJBARN O=C(c1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)n(-c1cccc(F)c1)c2=O)N1CCCC1 ZINC000033077918 553907789 /nfs/dbraw/zinc/90/77/89/553907789.db2.gz WQVVKSNHQRZBEV-UHFFFAOYSA-N 0 0 504.543 4.961 50 5 KJBARN O=C(c1ccc2c(c1)nc(SCc1ccc([N+](=O)[O-])cc1)n(-c1cccc(F)c1)c2=O)N1CCCC1 ZINC000033077924 553907823 /nfs/dbraw/zinc/90/78/23/553907823.db2.gz PGPKWCRDDBVEDN-UHFFFAOYSA-N 0 0 504.543 4.961 50 5 KJBARN COc1cccc(-n2c(=O)c3ccc(C(=O)N4CCCC4)cc3nc2SCc2ccc([N+](=O)[O-])cc2)c1 ZINC000033078067 553908581 /nfs/dbraw/zinc/90/85/81/553908581.db2.gz VGOZCZFDGWCLBW-UHFFFAOYSA-N 0 0 516.579 4.831 50 5 KJBARN Cc1c(C(/C=C\c2ccc([N+](=O)[O-])o2)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000033341453 553921912 /nfs/dbraw/zinc/92/19/12/553921912.db2.gz RYKLSNZDYMEBDT-ICFOKQHNSA-N 0 0 525.565 4.629 50 5 KJBARN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Oc3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000033353032 553922900 /nfs/dbraw/zinc/92/29/00/553922900.db2.gz LSTACVPHVWKOTL-UHFFFAOYSA-N 0 0 572.529 4.831 50 5 KJBARN C=C[S@](=O)c1sc(Cl)c(N2CCN(c3c(Cl)sc([S@@](=O)C=C)c3[N+](=O)[O-])CC2)c1[N+](=O)[O-] ZINC000033353565 553925919 /nfs/dbraw/zinc/92/59/19/553925919.db2.gz WJFNCODJKNFTOU-ROJLCIKYSA-N 0 0 557.484 4.762 50 5 KJBARN C=C[S@](=O)c1sc(Cl)c(N2CCN(c3c(Cl)sc([S@](=O)C=C)c3[N+](=O)[O-])CC2)c1[N+](=O)[O-] ZINC000033353567 553925974 /nfs/dbraw/zinc/92/59/74/553925974.db2.gz WJFNCODJKNFTOU-MEKGRNQZSA-N 0 0 557.484 4.762 50 5 KJBARN C=C[S@@](=O)c1sc(Cl)c(N2CCN(c3c(Cl)sc([S@](=O)C=C)c3[N+](=O)[O-])CC2)c1[N+](=O)[O-] ZINC000033353569 553925917 /nfs/dbraw/zinc/92/59/17/553925917.db2.gz WJFNCODJKNFTOU-ACHIHNKUSA-N 0 0 557.484 4.762 50 5 KJBARN O=[N+]([O-])c1c(Sc2sc(Cl)c(N3CCOCC3)c2[N+](=O)[O-])sc(Cl)c1N1CCOCC1 ZINC000033353571 553925929 /nfs/dbraw/zinc/92/59/29/553925929.db2.gz FRCIBYGMARBKOQ-UHFFFAOYSA-N 0 0 527.433 4.757 50 5 KJBARN COC(=O)c1ccccc1NC(=O)CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 ZINC000033353635 553926106 /nfs/dbraw/zinc/92/61/06/553926106.db2.gz LVQYKANPZFEFBY-UHFFFAOYSA-N 0 0 548.558 4.523 50 5 KJBARN O=C(CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)NCCOc1ccc(Cl)cc1 ZINC000033353638 553926113 /nfs/dbraw/zinc/92/61/13/553926113.db2.gz RLAVKXTYMVUHFC-UHFFFAOYSA-N 0 0 569.020 4.946 50 5 KJBARN O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)N1CCc2ccccc21 ZINC000033353660 553926510 /nfs/dbraw/zinc/92/65/10/553926510.db2.gz BVANMZQXUATTPV-UHFFFAOYSA-N 0 0 516.560 4.687 50 5 KJBARN O=C([C@H]1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033353680 553926520 /nfs/dbraw/zinc/92/65/20/553926520.db2.gz LZZQHVXNDUEHSV-NRFANRHFSA-N 0 0 535.000 4.529 50 5 KJBARN O=C([C@@H]1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033353683 553926514 /nfs/dbraw/zinc/92/65/14/553926514.db2.gz LZZQHVXNDUEHSV-OAQYLSRUSA-N 0 0 535.000 4.529 50 5 KJBARN COc1c([N+](=O)[O-])cc(C(c2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] ZINC000033354593 553930221 /nfs/dbraw/zinc/93/02/21/553930221.db2.gz QIIMHOLOGZAIBN-UHFFFAOYSA-N 0 0 525.641 4.839 50 5 KJBARN O=C(NCCOc1ccc2c(c1)CCCC2)c1cc(C(=O)NCCOc2ccc3c(c2)CCCC3)cc([N+](=O)[O-])c1 ZINC000033354644 553930483 /nfs/dbraw/zinc/93/04/83/553930483.db2.gz FYQXJELATJOYCC-UHFFFAOYSA-N 0 0 557.647 4.970 50 5 KJBARN COc1ccc(N(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1 ZINC000033354878 553931896 /nfs/dbraw/zinc/93/18/96/553931896.db2.gz FPAVDDATSUBOGV-UHFFFAOYSA-N 0 0 532.597 4.757 50 5 KJBARN COc1ccccc1N1CCN(c2cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)ccc2[N+](=O)[O-])CC1 ZINC000033354958 553932660 /nfs/dbraw/zinc/93/26/60/553932660.db2.gz RVKCUOCQNBKQGD-UHFFFAOYSA-N 0 0 536.032 4.546 50 5 KJBARN COc1ccc(CCNc2cc(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)ccc2[N+](=O)[O-])cc1OC ZINC000033355125 553933137 /nfs/dbraw/zinc/93/31/37/553933137.db2.gz JWOFMHYJTXPXSQ-UHFFFAOYSA-N 0 0 605.511 4.540 50 5 KJBARN CCN1C(=O)/C(=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000033355271 553933979 /nfs/dbraw/zinc/93/39/79/553933979.db2.gz FWZBJNJMRIIBEU-XMHGGMMESA-N 0 0 564.339 4.806 50 5 KJBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1NCCc1ccccc1 ZINC000033355277 553933983 /nfs/dbraw/zinc/93/39/83/553933983.db2.gz GUXDVBJSRJRACJ-UHFFFAOYSA-N 0 0 545.459 4.523 50 5 KJBARN COc1cc([C@@H]2OC(c3ccc(I)c(OC(C)=O)c3)=NN2C(C)=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000033355823 553937354 /nfs/dbraw/zinc/93/73/54/553937354.db2.gz FTHAVQOCHITNIQ-DEOSSOPVSA-N 0 0 618.340 4.560 50 5 KJBARN COc1cc([C@H]2OC(c3ccc(I)c(OC(C)=O)c3)=NN2C(C)=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000033355824 553937351 /nfs/dbraw/zinc/93/73/51/553937351.db2.gz FTHAVQOCHITNIQ-XMMPIXPASA-N 0 0 618.340 4.560 50 5 KJBARN COc1ccc([C@@H]2OC(c3cc(Br)ccc3OC(C)=O)=NN2C(C)=O)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000033355831 553937256 /nfs/dbraw/zinc/93/72/56/553937256.db2.gz DBNKTJXPNPZQNJ-DEOSSOPVSA-N 0 0 651.268 4.846 50 5 KJBARN COc1ccc([C@H]2OC(c3cc(Br)ccc3OC(C)=O)=NN2C(C)=O)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000033355832 553937279 /nfs/dbraw/zinc/93/72/79/553937279.db2.gz DBNKTJXPNPZQNJ-XMMPIXPASA-N 0 0 651.268 4.846 50 5 KJBARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccccc2Br)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000033356089 553938889 /nfs/dbraw/zinc/93/88/89/553938889.db2.gz TURYZEGHWIRCCO-UHFFFAOYSA-N 0 0 542.367 4.903 50 5 KJBARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c3ccccc3C(=O)N1CC2 ZINC000033356123 553939306 /nfs/dbraw/zinc/93/93/06/553939306.db2.gz HDBRBZUHYLTLCZ-RRPNLBNLSA-N 0 0 531.565 4.876 50 5 KJBARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c3ccccc3C(=O)N1CC2 ZINC000033356124 553939418 /nfs/dbraw/zinc/93/94/18/553939418.db2.gz HDBRBZUHYLTLCZ-SVBPBHIXSA-N 0 0 531.565 4.876 50 5 KJBARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c3ccccc3C(=O)N1CC2 ZINC000033356125 553939217 /nfs/dbraw/zinc/93/92/17/553939217.db2.gz HDBRBZUHYLTLCZ-KAYWLYCHSA-N 0 0 531.565 4.876 50 5 KJBARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c3ccccc3C(=O)N1CC2 ZINC000033356126 553939292 /nfs/dbraw/zinc/93/92/92/553939292.db2.gz HDBRBZUHYLTLCZ-SXOMAYOGSA-N 0 0 531.565 4.876 50 5 KJBARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c1)c1cc(Cl)ccc1O2 ZINC000033356237 553939831 /nfs/dbraw/zinc/93/98/31/553939831.db2.gz JCDMGBQXDROTFP-UFHPHHKVSA-N 0 0 547.999 4.980 50 5 KJBARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000033356293 553940316 /nfs/dbraw/zinc/94/03/16/553940316.db2.gz SVIHFCKSNXQRBN-SANMLTNESA-N 0 0 568.659 4.616 50 5 KJBARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000033356294 553940335 /nfs/dbraw/zinc/94/03/35/553940335.db2.gz SVIHFCKSNXQRBN-AREMUKBSSA-N 0 0 568.659 4.616 50 5 KJBARN COc1cc2nc(SCc3cc(=O)n4cc(Cl)ccc4n3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC ZINC000033356337 553940629 /nfs/dbraw/zinc/94/06/29/553940629.db2.gz REFUEKJAFQUCGC-UHFFFAOYSA-N 0 0 575.994 4.824 50 5 KJBARN COc1ccc(-n2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000033356381 553941084 /nfs/dbraw/zinc/94/10/84/553941084.db2.gz KVFADWFAONVBNC-UHFFFAOYSA-N 0 0 533.928 4.709 50 5 KJBARN O=C(c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033356445 553941677 /nfs/dbraw/zinc/94/16/77/553941677.db2.gz KURRJIUZYDVJMB-UHFFFAOYSA-N 0 0 600.628 4.690 50 5 KJBARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)nc(SCc2cccc([N+](=O)[O-])c2)n(-c2ccccc2)c3=O)CC1 ZINC000033356522 553942283 /nfs/dbraw/zinc/94/22/83/553942283.db2.gz BDKVYYCGLUVUHI-UHFFFAOYSA-N 0 0 573.631 4.501 50 5 KJBARN COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2C)c1OC ZINC000033356653 553943359 /nfs/dbraw/zinc/94/33/59/553943359.db2.gz DRNGNPQWQGJAPB-DEOSSOPVSA-N 0 0 694.568 4.903 50 5 KJBARN COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2C)c1OC ZINC000033356655 553943355 /nfs/dbraw/zinc/94/33/55/553943355.db2.gz DRNGNPQWQGJAPB-XMMPIXPASA-N 0 0 694.568 4.903 50 5 KJBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N/C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000033357297 553947730 /nfs/dbraw/zinc/94/77/30/553947730.db2.gz PTIFWAXMLLBUFA-TXFCMXBKSA-N 0 0 608.495 4.784 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(SC)cc1 ZINC000033357453 553948300 /nfs/dbraw/zinc/94/83/00/553948300.db2.gz OKJQTUZJETWJJY-LOSJGSFVSA-N 0 0 537.594 4.892 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(SC)cc1 ZINC000033357454 553948319 /nfs/dbraw/zinc/94/83/19/553948319.db2.gz OKJQTUZJETWJJY-JWQCQUIFSA-N 0 0 537.594 4.892 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(SC)cc1 ZINC000033357455 553948290 /nfs/dbraw/zinc/94/82/90/553948290.db2.gz OKJQTUZJETWJJY-DQEYMECFSA-N 0 0 537.594 4.892 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(SC)cc1 ZINC000033357456 553948305 /nfs/dbraw/zinc/94/83/05/553948305.db2.gz OKJQTUZJETWJJY-RPBOFIJWSA-N 0 0 537.594 4.892 50 5 KJBARN CCOC(=O)C1C(C)=Nc2nc(SCC(=O)c3ccc(Br)cc3)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000033357671 553950063 /nfs/dbraw/zinc/95/00/63/553950063.db2.gz ORWXLAWKDAYMMM-HXUWFJFHSA-N 0 0 558.414 4.776 50 5 KJBARN CCOC(=O)C1C(C)=Nc2nc(SCC(=O)c3ccc(Br)cc3)nn2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000033357672 553950071 /nfs/dbraw/zinc/95/00/71/553950071.db2.gz ORWXLAWKDAYMMM-FQEVSTJZSA-N 0 0 558.414 4.776 50 5 KJBARN O=C(CCCCCn1c(=O)c2sccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O)NCc1ccccc1Cl ZINC000033357755 553950683 /nfs/dbraw/zinc/95/06/83/553950683.db2.gz NIKUXKFSTNRNQP-UHFFFAOYSA-N 0 0 541.029 4.711 50 5 KJBARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccc(OC)cc3)n1-c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000033357977 553952483 /nfs/dbraw/zinc/95/24/83/553952483.db2.gz NRODGURLIMAASJ-UHFFFAOYSA-N 0 0 636.712 4.572 50 5 KJBARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(F)cc2)c(C(=O)OCC)c1C ZINC000033357980 553952539 /nfs/dbraw/zinc/95/25/39/553952539.db2.gz WSIDKPYBFCLGPP-UHFFFAOYSA-N 0 0 670.701 4.699 50 5 KJBARN COc1cc(C(=O)Nc2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(OC)c1OC ZINC000033358160 553953407 /nfs/dbraw/zinc/95/34/07/553953407.db2.gz DWFDHFWMLBRBEY-SQHAQQRYSA-N 0 0 708.772 4.621 50 5 KJBARN O=C(Nc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1 ZINC000033358162 553953273 /nfs/dbraw/zinc/95/32/73/553953273.db2.gz VLYGYBMZNIMJKU-BVAGGSTKSA-N 0 0 636.684 4.734 50 5 KJBARN O=C(Nc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1cccs1 ZINC000033358163 553953395 /nfs/dbraw/zinc/95/33/95/553953395.db2.gz BADJQYIXDGOUPH-VWNXMTODSA-N 0 0 624.723 4.656 50 5 KJBARN O=C(Nc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(Br)o1 ZINC000033358164 553953320 /nfs/dbraw/zinc/95/33/20/553953320.db2.gz DHEOQGPVLQEHLB-GGAORHGYSA-N 0 0 687.551 4.950 50 5 KJBARN Cc1ccc(N2C(=O)[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2cccc(Br)c2)cc1F ZINC000033358494 553956122 /nfs/dbraw/zinc/95/61/22/553956122.db2.gz BTUZDFJLOMUSDJ-LEWJYISDSA-N 0 0 524.302 4.558 50 5 KJBARN Cc1ccc(N2C(=O)[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2cccc(Br)c2)cc1F ZINC000033358495 553956190 /nfs/dbraw/zinc/95/61/90/553956190.db2.gz BTUZDFJLOMUSDJ-NHCUHLMSSA-N 0 0 524.302 4.558 50 5 KJBARN Cc1ccc(N2C(=O)[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2cccc(Br)c2)cc1F ZINC000033358496 553956357 /nfs/dbraw/zinc/95/63/57/553956357.db2.gz BTUZDFJLOMUSDJ-SFTDATJTSA-N 0 0 524.302 4.558 50 5 KJBARN Cc1ccc(N2C(=O)[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2cccc(Br)c2)cc1F ZINC000033358497 553956274 /nfs/dbraw/zinc/95/62/74/553956274.db2.gz BTUZDFJLOMUSDJ-RTWAWAEBSA-N 0 0 524.302 4.558 50 5 KJBARN COc1ccc(CCNc2cc(N3CCN(C(=O)c4ccc(Br)cc4)CC3)ccc2[N+](=O)[O-])cc1OC ZINC000033358510 553956287 /nfs/dbraw/zinc/95/62/87/553956287.db2.gz SUAJYLJZMPVBIZ-UHFFFAOYSA-N 0 0 569.456 4.992 50 5 KJBARN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033481100 1066484772 /nfs/dbraw/zinc/48/47/72/1066484772.db2.gz BQXOLRKUVXSSJH-KHPPLWFESA-N 0 0 500.386 4.817 50 5 KJBARN Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000033545996 1066485431 /nfs/dbraw/zinc/48/54/31/1066485431.db2.gz CAFZPTBKDNWOFH-NTMALXAHSA-N 0 0 503.342 4.958 50 5 KJBARN CC(C)(C)c1ccc2c(c1)N(Cc1cccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c1)C(=O)CO2 ZINC000033629466 553965240 /nfs/dbraw/zinc/96/52/40/553965240.db2.gz LPEQZQHVTIGPOG-UHFFFAOYSA-N 0 0 528.609 4.780 50 5 KJBARN CN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21 ZINC000033661497 553966797 /nfs/dbraw/zinc/96/67/97/553966797.db2.gz OCXBHJMXOGQCMP-CPNJWEJPSA-N 0 0 503.312 4.573 50 5 KJBARN O=C1N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000033670193 553967022 /nfs/dbraw/zinc/96/70/22/553967022.db2.gz NFGMXNWXOWBAAO-UEXGIBASSA-N 0 0 509.824 4.612 50 5 KJBARN Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000033683826 553967857 /nfs/dbraw/zinc/96/78/57/553967857.db2.gz PJUVRJDMXJPQFI-UHFFFAOYSA-N 0 0 515.657 4.840 50 5 KJBARN CC(=O)c1ccc(NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2cccc(Br)c2)cc1 ZINC000033689816 553968177 /nfs/dbraw/zinc/96/81/77/553968177.db2.gz LIIOVJAIFPJQMB-LPYMAVHISA-N 0 0 508.328 4.970 50 5 KJBARN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000033855064 553975261 /nfs/dbraw/zinc/97/52/61/553975261.db2.gz PBBDCDSTRJVIHM-UCQKPKSFSA-N 0 0 519.535 4.857 50 5 KJBARN COc1ccc(C(=O)COC(=O)C=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000033857652 1066485951 /nfs/dbraw/zinc/48/59/51/1066485951.db2.gz WUWNLSWOXMTFOX-KAMYIIQDSA-N 0 0 513.506 4.904 50 5 KJBARN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc(Br)cc2)N[C@@H](c2ccc(Br)cc2)[C@H]1[N+](=O)[O-] ZINC000033929616 553976826 /nfs/dbraw/zinc/97/68/26/553976826.db2.gz HUTRAJQDESQABB-FZDBZEDMSA-N 0 0 513.186 4.914 50 5 KJBARN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2cccc(Br)c2)N[C@@H](c2cccc(Br)c2)[C@H]1[N+](=O)[O-] ZINC000033932205 553977426 /nfs/dbraw/zinc/97/74/26/553977426.db2.gz SYQOCZQEGKASDM-FZDBZEDMSA-N 0 0 513.186 4.914 50 5 KJBARN CCCC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000034144875 553980882 /nfs/dbraw/zinc/98/08/82/553980882.db2.gz UVNGKHQJKNGBSN-YKFYJDGLSA-N 0 0 509.562 4.984 50 5 KJBARN CC(C)c1ccc(-n2c3ncn(Cc4ccc([N+](=O)[O-])cc4)c3c(=O)n(CCc3ccccc3)c2=O)cc1 ZINC000034693823 553990682 /nfs/dbraw/zinc/99/06/82/553990682.db2.gz ACIYIRVNCVDDQG-UHFFFAOYSA-N 0 0 509.566 4.672 50 5 KJBARN CC(C)c1ccc(-n2c3ncn(Cc4cccc([N+](=O)[O-])c4)c3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000034693828 553990608 /nfs/dbraw/zinc/99/06/08/553990608.db2.gz JXGNMEQINFCYHI-UHFFFAOYSA-N 0 0 513.529 4.616 50 5 KJBARN CC(C)c1ccc(-n2c3ncn(Cc4cccc([N+](=O)[O-])c4)c3c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000034693839 553990654 /nfs/dbraw/zinc/99/06/54/553990654.db2.gz OTPPHUVUVDDGSZ-UHFFFAOYSA-N 0 0 513.529 4.616 50 5 KJBARN CC(C)c1ccc(-n2c3ncn(Cc4cccc([N+](=O)[O-])c4)c3c(=O)n(CCOc3ccccc3)c2=O)cc1 ZINC000034693844 553990563 /nfs/dbraw/zinc/99/05/63/553990563.db2.gz GUXGJZFCINYXAA-UHFFFAOYSA-N 0 0 525.565 4.508 50 5 KJBARN CC(C)(C)CC(=O)N1CCCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccccc4[N+](=O)[O-])n32)CC1 ZINC000034700024 553992674 /nfs/dbraw/zinc/99/26/74/553992674.db2.gz QZLGKZGAZOLLJE-UHFFFAOYSA-N 0 0 522.009 4.981 50 5 KJBARN O=C(C1CCCC1)N1CCCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccccc4[N+](=O)[O-])n32)CC1 ZINC000034700025 553992560 /nfs/dbraw/zinc/99/25/60/553992560.db2.gz PSPGHMDDFFZXCA-UHFFFAOYSA-N 0 0 519.993 4.735 50 5 KJBARN Cc1ccc(-c2nnc3c4ccccc4nc(N4CCCN(C(=O)c5ccc(C)c([N+](=O)[O-])c5)CC4)n23)cc1 ZINC000034700687 553992885 /nfs/dbraw/zinc/99/28/85/553992885.db2.gz FQFXCEPDWVKTEP-UHFFFAOYSA-N 0 0 521.581 4.822 50 5 KJBARN Cc1ccc(C(=O)N2CCN(c3nc4ccccc4c4nnc(C5CCCCC5)n43)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000034707369 553993697 /nfs/dbraw/zinc/99/36/97/553993697.db2.gz LQIUAOQSLXGLHB-IBGZPJMESA-N 0 0 513.602 4.893 50 5 KJBARN Cc1ccc(C(=O)N2CCN(c3nc4ccccc4c4nnc(C5CCCCC5)n43)C[C@H]2C)cc1[N+](=O)[O-] ZINC000034707370 553993707 /nfs/dbraw/zinc/99/37/07/553993707.db2.gz LQIUAOQSLXGLHB-LJQANCHMSA-N 0 0 513.602 4.893 50 5 KJBARN CCOCCCNC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1N1CCC(C)CC1 ZINC000034713682 553995123 /nfs/dbraw/zinc/99/51/23/553995123.db2.gz ZGLNXYIWDRXUPQ-UHFFFAOYSA-N 0 0 502.999 4.893 50 5 KJBARN Cc1ccc(C(=O)N2CCc3nc(N(C)Cc4ccccc4)nc(N4CCC(C)CC4)c3C2)cc1[N+](=O)[O-] ZINC000034756262 553999138 /nfs/dbraw/zinc/99/91/38/553999138.db2.gz FBPOBIDWFGLPPK-UHFFFAOYSA-N 0 0 514.630 4.764 50 5 KJBARN COc1cccc(Oc2nc(N3CCC(C)CC3)nc3c2CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC3)c1 ZINC000034758606 554000759 /nfs/dbraw/zinc/00/07/59/554000759.db2.gz XZLZWZBGUVNDPO-UHFFFAOYSA-N 0 0 517.586 4.929 50 5 KJBARN Cc1ccc(C(=O)N2CCc3nc(N4CCCCC4)nc(Oc4ccc(F)cc4F)c3C2)cc1[N+](=O)[O-] ZINC000034758670 554000742 /nfs/dbraw/zinc/00/07/42/554000742.db2.gz MXKIVERBGMXBFR-UHFFFAOYSA-N 0 0 509.513 4.953 50 5 KJBARN COc1ccccc1Oc1nc(N2CCCCC2)nc2c1CN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000034758834 554000665 /nfs/dbraw/zinc/00/06/65/554000665.db2.gz GHNDBFHEEOARRZ-UHFFFAOYSA-N 0 0 503.559 4.683 50 5 KJBARN COc1ccccc1Oc1nc(N2CCC(C)CC2)nc2c1CN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000034758879 554000725 /nfs/dbraw/zinc/00/07/25/554000725.db2.gz VACRUZGWXJBTNU-UHFFFAOYSA-N 0 0 517.586 4.929 50 5 KJBARN COc1ccc(Oc2nc(N3CCC(C)CC3)nc3c2CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC3)cc1 ZINC000034759009 554000955 /nfs/dbraw/zinc/00/09/55/554000955.db2.gz DUZQVUAPOCQOHR-UHFFFAOYSA-N 0 0 517.586 4.929 50 5 KJBARN Cc1ccc(C(=O)N2CCc3nc(N4CCCCC4)nc(Oc4ccc(F)c(F)c4)c3C2)cc1[N+](=O)[O-] ZINC000034760150 554001268 /nfs/dbraw/zinc/00/12/68/554001268.db2.gz QBUMTVONYHRKQU-UHFFFAOYSA-N 0 0 509.513 4.953 50 5 KJBARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCN(C/C=C\c2ccccc2)CC1 ZINC000034764033 554002622 /nfs/dbraw/zinc/00/26/22/554002622.db2.gz GCGDGWGCFNHJSR-DAXSKMNVSA-N 0 0 513.019 4.884 50 5 KJBARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCN(C/C=C/c2ccccc2)CC1 ZINC000034764037 554002656 /nfs/dbraw/zinc/00/26/56/554002656.db2.gz GCGDGWGCFNHJSR-QPJJXVBHSA-N 0 0 513.019 4.884 50 5 KJBARN CCCc1nc2onc(-c3ccccc3)c2c(N2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000034810653 554010251 /nfs/dbraw/zinc/01/02/51/554010251.db2.gz UCBYFGSNQWVRPG-UHFFFAOYSA-N 0 0 501.547 4.890 50 5 KJBARN O=C(c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034831660 554017235 /nfs/dbraw/zinc/01/72/35/554017235.db2.gz MFEBNAKBNCLWPH-UHFFFAOYSA-N 0 0 504.550 4.934 50 5 KJBARN COc1cccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc3cc(C(C)(C)C)nn32)c1 ZINC000034832519 554018023 /nfs/dbraw/zinc/01/80/23/554018023.db2.gz HJUWLGKQGJXSHE-UHFFFAOYSA-N 0 0 514.586 4.573 50 5 KJBARN CC(C)(C)c1cc2nc(-c3ccccc3F)cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2n1 ZINC000034833415 554018231 /nfs/dbraw/zinc/01/82/31/554018231.db2.gz IHLCYLQDRNJELI-UHFFFAOYSA-N 0 0 502.550 4.704 50 5 KJBARN COc1cccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n3nc(C(C)(C)C)cc3n2)c1 ZINC000034833605 554018306 /nfs/dbraw/zinc/01/83/06/554018306.db2.gz KIHHMNLNODRDAS-UHFFFAOYSA-N 0 0 514.586 4.573 50 5 KJBARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000034836488 1067138606 /nfs/dbraw/zinc/13/86/06/1067138606.db2.gz KGOLMBPUVNDUFK-YVRYJGMNSA-N 0 0 521.551 4.608 50 5 KJBARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000034836493 1067138549 /nfs/dbraw/zinc/13/85/49/1067138549.db2.gz KGOLMBPUVNDUFK-HEEFDWFXSA-N 0 0 521.551 4.608 50 5 KJBARN CCOCCCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000034890277 554023401 /nfs/dbraw/zinc/02/34/01/554023401.db2.gz PNAAANBICMIMEO-XNTDXEJSSA-N 0 0 523.561 4.824 50 5 KJBARN COCCN(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000034914762 554029769 /nfs/dbraw/zinc/02/97/69/554029769.db2.gz RLGSKNGANLCJIH-MDWZMJQESA-N 0 0 511.575 4.513 50 5 KJBARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000034914763 554029870 /nfs/dbraw/zinc/02/98/70/554029870.db2.gz QLUPJXMESATJKV-UHFFFAOYSA-N 0 0 513.591 4.812 50 5 KJBARN CN(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1CN(C[C@@H]1CCCO1)C(=O)c1cccs1 ZINC000034921655 554031640 /nfs/dbraw/zinc/03/16/40/554031640.db2.gz FKYWJLKGCNTDFH-QFIPXVFZSA-N 0 0 508.600 4.796 50 5 KJBARN CN(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1CN(C[C@H]1CCCO1)C(=O)c1cccs1 ZINC000034921656 554031628 /nfs/dbraw/zinc/03/16/28/554031628.db2.gz FKYWJLKGCNTDFH-JOCHJYFZSA-N 0 0 508.600 4.796 50 5 KJBARN CCCN(Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000034921721 554031610 /nfs/dbraw/zinc/03/16/10/554031610.db2.gz JAMPFVCTMYOCMR-UHFFFAOYSA-N 0 0 514.579 4.653 50 5 KJBARN COc1ccccc1-c1cc(CN(Cc2ccco2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)no1 ZINC000034922463 554032111 /nfs/dbraw/zinc/03/21/11/554032111.db2.gz WWLZAESFNJBGFR-UHFFFAOYSA-N 0 0 503.920 4.896 50 5 KJBARN Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)C ZINC000035376696 554045555 /nfs/dbraw/zinc/04/55/55/554045555.db2.gz BVTFMFKMCFXWEH-UHFFFAOYSA-N 0 0 510.572 4.953 50 5 KJBARN CC(=O)N1CCc2c(sc3nc(SCc4cccc([N+](=O)[O-])c4)n(-c4ccccc4C)c(=O)c32)C1 ZINC000035432102 554054466 /nfs/dbraw/zinc/05/44/66/554054466.db2.gz PCTWTSXPESLTJL-UHFFFAOYSA-N 0 0 506.609 4.861 50 5 KJBARN CC(=O)N1CCc2c(sc3nc(SCc4cccc([N+](=O)[O-])c4)n(Cc4ccccc4)c(=O)c32)C1 ZINC000035432143 554054361 /nfs/dbraw/zinc/05/43/61/554054361.db2.gz OQRRVWNTJUARGH-UHFFFAOYSA-N 0 0 506.609 4.611 50 5 KJBARN CC(=O)N1CCc2c(sc3nc(SCc4ccc([N+](=O)[O-])cc4)n(Cc4ccccc4)c(=O)c32)C1 ZINC000035432150 554054389 /nfs/dbraw/zinc/05/43/89/554054389.db2.gz ZFSXVYQNJGFIJY-UHFFFAOYSA-N 0 0 506.609 4.611 50 5 KJBARN COCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035700090 554063676 /nfs/dbraw/zinc/06/36/76/554063676.db2.gz OBEDVIXBVMOBJO-UHFFFAOYSA-N 0 0 521.618 4.812 50 5 KJBARN C[C@H](NC(=O)COCc1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000035704029 554064409 /nfs/dbraw/zinc/06/44/09/554064409.db2.gz PVLJLVVIDNPIMD-IBGZPJMESA-N 0 0 503.584 4.862 50 5 KJBARN C[C@@H](NC(=O)COCc1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000035704031 554064489 /nfs/dbraw/zinc/06/44/89/554064489.db2.gz PVLJLVVIDNPIMD-LJQANCHMSA-N 0 0 503.584 4.862 50 5 KJBARN CCCN1C(=O)N[C@@H](c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C(C(=O)OCC)=C1C ZINC000035710021 554065997 /nfs/dbraw/zinc/06/59/97/554065997.db2.gz BCQDRLZZOYKMPD-NRFANRHFSA-N 0 0 500.939 4.814 50 5 KJBARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C(C(=O)OCC)=C1C ZINC000035710023 554065988 /nfs/dbraw/zinc/06/59/88/554065988.db2.gz BCQDRLZZOYKMPD-OAQYLSRUSA-N 0 0 500.939 4.814 50 5 KJBARN CCCN1C(=O)N[C@@H](c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)C(C(=O)OCC)=C1C ZINC000035710082 554065977 /nfs/dbraw/zinc/06/59/77/554065977.db2.gz XEKGRKBWQXRION-NRFANRHFSA-N 0 0 500.939 4.814 50 5 KJBARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)C(C(=O)OCC)=C1C ZINC000035710083 554066046 /nfs/dbraw/zinc/06/60/46/554066046.db2.gz XEKGRKBWQXRION-OAQYLSRUSA-N 0 0 500.939 4.814 50 5 KJBARN CCCN1C(=O)N[C@@H](c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)C(C(=O)OCC)=C1C ZINC000035710587 554066354 /nfs/dbraw/zinc/06/63/54/554066354.db2.gz VPTMYJNVPIXQEQ-NRFANRHFSA-N 0 0 500.939 4.814 50 5 KJBARN CCCN1C(=O)N[C@H](c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)C(C(=O)OCC)=C1C ZINC000035710589 554066359 /nfs/dbraw/zinc/06/63/59/554066359.db2.gz VPTMYJNVPIXQEQ-OAQYLSRUSA-N 0 0 500.939 4.814 50 5 KJBARN CCCCN1C(=O)N[C@@H](c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)C(C(=O)OC)=C1C ZINC000035711251 554066388 /nfs/dbraw/zinc/06/63/88/554066388.db2.gz LMYBNOWWTHMNCL-NRFANRHFSA-N 0 0 500.939 4.814 50 5 KJBARN CCCCN1C(=O)N[C@H](c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)C(C(=O)OC)=C1C ZINC000035711252 554066397 /nfs/dbraw/zinc/06/63/97/554066397.db2.gz LMYBNOWWTHMNCL-OAQYLSRUSA-N 0 0 500.939 4.814 50 5 KJBARN CCCCN1C(=O)N[C@@H](c2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)C(C(=O)OC)=C1C ZINC000035711292 554066247 /nfs/dbraw/zinc/06/62/47/554066247.db2.gz RXIMIRJSZWNDIH-NRFANRHFSA-N 0 0 500.939 4.814 50 5 KJBARN CCCCN1C(=O)N[C@H](c2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)C(C(=O)OC)=C1C ZINC000035711294 554066323 /nfs/dbraw/zinc/06/63/23/554066323.db2.gz RXIMIRJSZWNDIH-OAQYLSRUSA-N 0 0 500.939 4.814 50 5 KJBARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000035723549 554067341 /nfs/dbraw/zinc/06/73/41/554067341.db2.gz MQXWFIVNQZUHSA-FQEVSTJZSA-N 0 0 507.959 4.747 50 5 KJBARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000035723551 554067418 /nfs/dbraw/zinc/06/74/18/554067418.db2.gz MQXWFIVNQZUHSA-HXUWFJFHSA-N 0 0 507.959 4.747 50 5 KJBARN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1[N+](=O)[O-] ZINC000035729348 554069067 /nfs/dbraw/zinc/06/90/67/554069067.db2.gz RAKFOWKBYQSOTL-FQEVSTJZSA-N 0 0 505.531 4.541 50 5 KJBARN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1[N+](=O)[O-] ZINC000035729349 554069225 /nfs/dbraw/zinc/06/92/25/554069225.db2.gz RAKFOWKBYQSOTL-HXUWFJFHSA-N 0 0 505.531 4.541 50 5 KJBARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C[C@@H]2CCCO2)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000035766419 554071693 /nfs/dbraw/zinc/07/16/93/554071693.db2.gz XCDHXFZWSIXTTR-DEOSSOPVSA-N 0 0 506.559 4.738 50 5 KJBARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C[C@H]2CCCO2)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000035766422 554071584 /nfs/dbraw/zinc/07/15/84/554071584.db2.gz XCDHXFZWSIXTTR-XMMPIXPASA-N 0 0 506.559 4.738 50 5 KJBARN CC(C)N(CC(=O)N(Cc1cccs1)Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000035771041 554073048 /nfs/dbraw/zinc/07/30/48/554073048.db2.gz QDYQUCAMTLQULJ-XYOKQWHBSA-N 0 0 521.595 4.864 50 5 KJBARN COCCN(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000035771202 554073270 /nfs/dbraw/zinc/07/32/70/554073270.db2.gz MUHIRXDHBOKGCA-UHFFFAOYSA-N 0 0 519.982 4.766 50 5 KJBARN COCCN(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000035774093 554073615 /nfs/dbraw/zinc/07/36/15/554073615.db2.gz BRSNUFGCWBUDIU-UHFFFAOYSA-N 0 0 513.591 4.730 50 5 KJBARN COCCN(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000035774099 554073660 /nfs/dbraw/zinc/07/36/60/554073660.db2.gz PKRIYHIJPUORRP-KPKJPENVSA-N 0 0 525.602 4.821 50 5 KJBARN CCCN(CC(=O)N(Cc1sccc1C)Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035775815 554074185 /nfs/dbraw/zinc/07/41/85/554074185.db2.gz MTJLMQMEURLBMO-UHFFFAOYSA-N 0 0 501.630 4.594 50 5 KJBARN COCCCN(CC(=O)N(Cc1cccs1)Cc1ccccc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000035797131 554075143 /nfs/dbraw/zinc/07/51/43/554075143.db2.gz WPOXUEVHRMLSLR-NTCAYCPXSA-N 0 0 507.612 4.764 50 5 KJBARN Cc1sc2nc(CCc3ccccc3)nc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)c2c1C ZINC000035866738 554084257 /nfs/dbraw/zinc/08/42/57/554084257.db2.gz ZICHWEUNAWFCPI-UHFFFAOYSA-N 0 0 501.612 4.964 50 5 KJBARN Cc1sc2nc(CCc3ccccc3)nc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)c2c1C ZINC000035866739 554084195 /nfs/dbraw/zinc/08/41/95/554084195.db2.gz RBDULWKTZFMPNM-UHFFFAOYSA-N 0 0 501.612 4.964 50 5 KJBARN COc1ccc(Cl)cc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCc3cccc(F)c3)[C@@H]2C1 ZINC000035870999 554085689 /nfs/dbraw/zinc/08/56/89/554085689.db2.gz LGFYGNRXFNUZPQ-DHLKQENFSA-N 0 0 524.980 4.580 50 5 KJBARN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1ccccc1)NCCN1CCOCC1 ZINC000035872511 554087019 /nfs/dbraw/zinc/08/70/19/554087019.db2.gz LWPMDSJWLKOZOL-SANMLTNESA-N 0 0 512.610 4.568 50 5 KJBARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1ccccc1)NCCN1CCOCC1 ZINC000035872512 554087078 /nfs/dbraw/zinc/08/70/78/554087078.db2.gz LWPMDSJWLKOZOL-AREMUKBSSA-N 0 0 512.610 4.568 50 5 KJBARN NC(=O)C1CCN(C(=O)C[C@H](c2cn(Cc3ccccc3)c3ccc([N+](=O)[O-])cc23)c2ccccc2)CC1 ZINC000035872519 554087005 /nfs/dbraw/zinc/08/70/05/554087005.db2.gz USKODOFYKDXJBO-VWLOTQADSA-N 0 0 510.594 4.844 50 5 KJBARN NC(=O)C1CCN(C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccc([N+](=O)[O-])cc23)c2ccccc2)CC1 ZINC000035872520 554087040 /nfs/dbraw/zinc/08/70/40/554087040.db2.gz USKODOFYKDXJBO-RUZDIDTESA-N 0 0 510.594 4.844 50 5 KJBARN CC(=O)N1CCN(C(=O)C[C@H](c2cn(Cc3ccccc3)c3ccc([N+](=O)[O-])cc23)c2ccccc2)CC1 ZINC000035872529 554086979 /nfs/dbraw/zinc/08/69/79/554086979.db2.gz ICVCBJZPMHCAGY-SANMLTNESA-N 0 0 510.594 4.811 50 5 KJBARN CC(=O)N1CCN(C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccc([N+](=O)[O-])cc23)c2ccccc2)CC1 ZINC000035872530 554087044 /nfs/dbraw/zinc/08/70/44/554087044.db2.gz ICVCBJZPMHCAGY-AREMUKBSSA-N 0 0 510.594 4.811 50 5 KJBARN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1ccccc1)NCCCN1CCOCC1 ZINC000035872550 554086970 /nfs/dbraw/zinc/08/69/70/554086970.db2.gz CNJVQRCSZOVVBQ-MHZLTWQESA-N 0 0 526.637 4.958 50 5 KJBARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1ccccc1)NCCCN1CCOCC1 ZINC000035872551 554087099 /nfs/dbraw/zinc/08/70/99/554087099.db2.gz CNJVQRCSZOVVBQ-HHHXNRCGSA-N 0 0 526.637 4.958 50 5 KJBARN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1)NCCN1CCOCC1 ZINC000035872584 554087257 /nfs/dbraw/zinc/08/72/57/554087257.db2.gz RRUQCGXKHYBFJY-SANMLTNESA-N 0 0 530.600 4.707 50 5 KJBARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1)NCCN1CCOCC1 ZINC000035872585 554087250 /nfs/dbraw/zinc/08/72/50/554087250.db2.gz RRUQCGXKHYBFJY-AREMUKBSSA-N 0 0 530.600 4.707 50 5 KJBARN CC(=O)N1CCN(C(=O)C[C@H](c2cn(Cc3ccccc3)c3ccc([N+](=O)[O-])cc23)c2ccc(F)cc2)CC1 ZINC000035872592 554087348 /nfs/dbraw/zinc/08/73/48/554087348.db2.gz HQRSGLSUSHKJOY-SANMLTNESA-N 0 0 528.584 4.950 50 5 KJBARN CC(=O)N1CCN(C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccc([N+](=O)[O-])cc23)c2ccc(F)cc2)CC1 ZINC000035872593 554087392 /nfs/dbraw/zinc/08/73/92/554087392.db2.gz HQRSGLSUSHKJOY-AREMUKBSSA-N 0 0 528.584 4.950 50 5 KJBARN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1cccc(F)c1)NCCN1CCOCC1 ZINC000035872634 554087282 /nfs/dbraw/zinc/08/72/82/554087282.db2.gz FEBQGVSMZBQFED-SANMLTNESA-N 0 0 530.600 4.707 50 5 KJBARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1cccc(F)c1)NCCN1CCOCC1 ZINC000035872635 554087316 /nfs/dbraw/zinc/08/73/16/554087316.db2.gz FEBQGVSMZBQFED-AREMUKBSSA-N 0 0 530.600 4.707 50 5 KJBARN CC(=O)N1CCN(C(=O)C[C@H](c2cn(Cc3ccccc3)c3ccc([N+](=O)[O-])cc23)c2cccc(F)c2)CC1 ZINC000035872647 554087329 /nfs/dbraw/zinc/08/73/29/554087329.db2.gz YIOLKNREYHNYNF-SANMLTNESA-N 0 0 528.584 4.950 50 5 KJBARN CC(=O)N1CCN(C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccc([N+](=O)[O-])cc23)c2cccc(F)c2)CC1 ZINC000035872649 554087344 /nfs/dbraw/zinc/08/73/44/554087344.db2.gz YIOLKNREYHNYNF-AREMUKBSSA-N 0 0 528.584 4.950 50 5 KJBARN CC[C@H]1Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2CN(CCc2ccc(OC)c(OC)c2)C1=O ZINC000035873523 554087647 /nfs/dbraw/zinc/08/76/47/554087647.db2.gz HNKRURGJMTYEPG-HSZRJFAPSA-N 0 0 519.554 4.607 50 5 KJBARN CC[C@@H]1Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2CN(CCc2ccc(OC)c(OC)c2)C1=O ZINC000035873525 554087668 /nfs/dbraw/zinc/08/76/68/554087668.db2.gz HNKRURGJMTYEPG-QHCPKHFHSA-N 0 0 519.554 4.607 50 5 KJBARN Cc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] ZINC000035887741 554088812 /nfs/dbraw/zinc/08/88/12/554088812.db2.gz FQRJCWXFVMGWJS-UHFFFAOYSA-N 0 0 513.520 4.882 50 5 KJBARN COc1ccc(C(=O)N2CCN(c3nc(-c4ccccc4)nc(C)c3Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000035887931 554089144 /nfs/dbraw/zinc/08/91/44/554089144.db2.gz XTUIPBORTUYMGU-UHFFFAOYSA-N 0 0 523.593 4.922 50 5 KJBARN COc1ccccc1C(=O)N1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000035887954 554089130 /nfs/dbraw/zinc/08/91/30/554089130.db2.gz GTEVKKAITBIGOE-UHFFFAOYSA-N 0 0 523.593 4.922 50 5 KJBARN COc1ccc([C@@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2c[nH]c3ccccc32)cc1OC ZINC000035888363 554089370 /nfs/dbraw/zinc/08/93/70/554089370.db2.gz LELBNIQMCBSCHR-XMMPIXPASA-N 0 0 514.582 4.964 50 5 KJBARN COc1ccc([C@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2c[nH]c3ccccc32)cc1OC ZINC000035888365 554089332 /nfs/dbraw/zinc/08/93/32/554089332.db2.gz LELBNIQMCBSCHR-DEOSSOPVSA-N 0 0 514.582 4.964 50 5 KJBARN COc1ccc([C@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2cn(C)c3ccccc23)cc1OC ZINC000035891521 554090725 /nfs/dbraw/zinc/09/07/25/554090725.db2.gz RPKHGZNBDMMACV-VWLOTQADSA-N 0 0 528.609 4.975 50 5 KJBARN COc1ccc([C@@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2cn(C)c3ccccc23)cc1OC ZINC000035891523 554090743 /nfs/dbraw/zinc/09/07/43/554090743.db2.gz RPKHGZNBDMMACV-RUZDIDTESA-N 0 0 528.609 4.975 50 5 KJBARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)CC1 ZINC000035893152 554091438 /nfs/dbraw/zinc/09/14/38/554091438.db2.gz QJBCIPAVXSYAMN-UHFFFAOYSA-N 0 0 515.517 4.948 50 5 KJBARN COc1ccc(Cl)cc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCc3ccc(F)cc3)[C@@H]2C1 ZINC000035894777 554091728 /nfs/dbraw/zinc/09/17/28/554091728.db2.gz OUXZEMWHGXYXPB-DHLKQENFSA-N 0 0 524.980 4.580 50 5 KJBARN COc1ccc(Cl)cc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCc3cccs3)[C@@H]2C1 ZINC000035894781 554091806 /nfs/dbraw/zinc/09/18/06/554091806.db2.gz URCYHQZJHWYRHY-URXFXBBRSA-N 0 0 527.046 4.545 50 5 KJBARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1 ZINC000035908588 554093134 /nfs/dbraw/zinc/09/31/34/554093134.db2.gz OTACXPOOGBAKDB-UHFFFAOYSA-N 0 0 519.993 4.600 50 5 KJBARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000035908659 554093193 /nfs/dbraw/zinc/09/31/93/554093193.db2.gz PSPFRJHJNVIJFR-UHFFFAOYSA-N 0 0 513.602 4.646 50 5 KJBARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000035908707 554093189 /nfs/dbraw/zinc/09/31/89/554093189.db2.gz VIPRRPXELKNKIM-UHFFFAOYSA-N 0 0 514.590 4.729 50 5 KJBARN COc1cccc([C@@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2c[nH]c3ccccc32)c1OC ZINC000035910690 554094516 /nfs/dbraw/zinc/09/45/16/554094516.db2.gz VWPCBXCCNKBJTJ-XMMPIXPASA-N 0 0 514.582 4.964 50 5 KJBARN COc1cccc([C@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2c[nH]c3ccccc32)c1OC ZINC000035910691 554094543 /nfs/dbraw/zinc/09/45/43/554094543.db2.gz VWPCBXCCNKBJTJ-DEOSSOPVSA-N 0 0 514.582 4.964 50 5 KJBARN Cc1cc(-c2c(C)nc3c(OCc4ccc([N+](=O)[O-])cc4)cccn3c2=O)nn1-c1cc(F)ccc1F ZINC000035911491 554094872 /nfs/dbraw/zinc/09/48/72/554094872.db2.gz KHJRPTQXZRARLU-UHFFFAOYSA-N 0 0 503.465 4.929 50 5 KJBARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(C(=O)c4ccc(C)c([N+](=O)[O-])c4)CC3)c12 ZINC000035912659 554096300 /nfs/dbraw/zinc/09/63/00/554096300.db2.gz JLUIOGQBIKUYJS-UHFFFAOYSA-N 0 0 513.602 4.501 50 5 KJBARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)c12 ZINC000035912688 554096495 /nfs/dbraw/zinc/09/64/95/554096495.db2.gz VHNBVTUODNLXQM-UHFFFAOYSA-N 0 0 513.602 4.583 50 5 KJBARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCCN(C(=O)c4ccc(C)c([N+](=O)[O-])c4)CC3)c12 ZINC000035912714 554096508 /nfs/dbraw/zinc/09/65/08/554096508.db2.gz XHPOYYLPJBNACD-UHFFFAOYSA-N 0 0 527.629 4.892 50 5 KJBARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000035912758 554096564 /nfs/dbraw/zinc/09/65/64/554096564.db2.gz UYEAOLAGOHGEDF-UHFFFAOYSA-N 0 0 513.602 4.646 50 5 KJBARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000035912789 554096540 /nfs/dbraw/zinc/09/65/40/554096540.db2.gz SJMZRFLXNAHLEM-UHFFFAOYSA-N 0 0 513.602 4.727 50 5 KJBARN COc1ccc(-n2c(=O)c3cc(OC)c(OC)c(OC)c3nc2SCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000035924790 554097344 /nfs/dbraw/zinc/09/73/44/554097344.db2.gz TZFUCSIBXRGXLK-UHFFFAOYSA-N 0 0 509.540 4.621 50 5 KJBARN COc1cccc(-n2c(=O)c3cc(OC)c(OC)c(OC)c3nc2SCc2ccc([N+](=O)[O-])cc2)c1 ZINC000035924859 554097602 /nfs/dbraw/zinc/09/76/02/554097602.db2.gz OBFBLLCBWJFBGV-UHFFFAOYSA-N 0 0 509.540 4.621 50 5 KJBARN COc1ccccc1CSc1nc2c(cc(OC)c(OC)c2OC)c(=O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000035924878 554097555 /nfs/dbraw/zinc/09/75/55/554097555.db2.gz OSDWGDNGCABDHH-UHFFFAOYSA-N 0 0 509.540 4.621 50 5 KJBARN CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000035925905 554098155 /nfs/dbraw/zinc/09/81/55/554098155.db2.gz XRNNQHJNHHDBCO-HXUWFJFHSA-N 0 0 513.602 4.980 50 5 KJBARN CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000035925906 554098143 /nfs/dbraw/zinc/09/81/43/554098143.db2.gz XRNNQHJNHHDBCO-FQEVSTJZSA-N 0 0 513.602 4.980 50 5 KJBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000036001088 554128161 /nfs/dbraw/zinc/12/81/61/554128161.db2.gz GMBBJCGUZTZBPE-NDBXHCKUSA-N 0 0 513.937 4.955 50 5 KJBARN COc1cc2c(cc1OC)[C@@H](C)N(c1ccc(N3C(=O)C[C@H](c4ccccc4)C3=O)cc1[N+](=O)[O-])CC2 ZINC000036213673 554204554 /nfs/dbraw/zinc/20/45/54/554204554.db2.gz SHOHWHNDJHIHEM-VGOFRKELSA-N 0 0 501.539 4.783 50 5 KJBARN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000037380212 554237501 /nfs/dbraw/zinc/23/75/01/554237501.db2.gz SNESXXSPCVAXIG-DEOSSOPVSA-N 0 0 514.538 4.887 50 5 KJBARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000037380215 554237521 /nfs/dbraw/zinc/23/75/21/554237521.db2.gz SNESXXSPCVAXIG-XMMPIXPASA-N 0 0 514.538 4.887 50 5 KJBARN COc1ccc(CCN(CCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(=O)c2ccc(C)cc2)cc1OC ZINC000037380409 554237511 /nfs/dbraw/zinc/23/75/11/554237511.db2.gz OJEGIRHFKBKIJZ-UHFFFAOYSA-N 0 0 516.554 4.898 50 5 KJBARN COc1ccc(CCN(CCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(=O)c2cccc(F)c2)cc1OC ZINC000037381057 554237752 /nfs/dbraw/zinc/23/77/52/554237752.db2.gz OQMZLUIQVPYIFU-UHFFFAOYSA-N 0 0 520.517 4.729 50 5 KJBARN COc1ccc(CCN(CCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(=O)c2cccs2)cc1OC ZINC000037381776 554237756 /nfs/dbraw/zinc/23/77/56/554237756.db2.gz GCOYDVXMLOKQKU-UHFFFAOYSA-N 0 0 508.556 4.651 50 5 KJBARN COc1ccc(CCN(CCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(=O)c2ccccc2)cc1OC ZINC000037381791 554237701 /nfs/dbraw/zinc/23/77/01/554237701.db2.gz AQNWSWHZLQBBDI-UHFFFAOYSA-N 0 0 502.527 4.590 50 5 KJBARN COc1ccc(CCN(CCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(=O)c2cccc(F)c2)cc1OC ZINC000037381806 554237721 /nfs/dbraw/zinc/23/77/21/554237721.db2.gz PZWVJEKDPYKHOM-UHFFFAOYSA-N 0 0 520.517 4.729 50 5 KJBARN CCOCCOc1nc(-c2ccc(OC)cc2)n(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)n1 ZINC000037384625 554238548 /nfs/dbraw/zinc/23/85/48/554238548.db2.gz KXSBTNQGXGAOFU-UHFFFAOYSA-N 0 0 503.515 4.519 50 5 KJBARN CCOCCOc1nc(-c2ccc(OC)cc2)n(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000037384902 554238931 /nfs/dbraw/zinc/23/89/31/554238931.db2.gz SGKMYAIYJODEAF-UHFFFAOYSA-N 0 0 503.515 4.519 50 5 KJBARN CCOCCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000037385123 554239239 /nfs/dbraw/zinc/23/92/39/554239239.db2.gz PDPSYPDZHBHKHN-UHFFFAOYSA-N 0 0 503.515 4.519 50 5 KJBARN CCOCCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000037385124 554239254 /nfs/dbraw/zinc/23/92/54/554239254.db2.gz QQHMTYGGEXGVLO-UHFFFAOYSA-N 0 0 503.515 4.519 50 5 KJBARN CCOCCOc1nc(-c2cccc(OC)c2)n(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000037385242 554239285 /nfs/dbraw/zinc/23/92/85/554239285.db2.gz WHTLCOWYVNJKAM-UHFFFAOYSA-N 0 0 503.515 4.519 50 5 KJBARN Cc1ccc(-n2c(SCc3ccc(C(=O)N4CCOCC4)cc3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000037397433 554239752 /nfs/dbraw/zinc/23/97/52/554239752.db2.gz NRRLXGFQDLALBD-UHFFFAOYSA-N 0 0 515.595 4.916 50 5 KJBARN COCCNC(=O)c1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2OC)cc1 ZINC000037397664 554240038 /nfs/dbraw/zinc/24/00/38/554240038.db2.gz PMXBUYSBZGVXPC-UHFFFAOYSA-N 0 0 519.583 4.520 50 5 KJBARN COCCNC(=O)c1ccc(CSc2nnc(-c3ccccc3[N+](=O)[O-])n2Cc2ccccc2)cc1 ZINC000037397906 554240333 /nfs/dbraw/zinc/24/03/33/554240333.db2.gz HMERRBPLKFWFBR-UHFFFAOYSA-N 0 0 503.584 4.570 50 5 KJBARN COCCNC(=O)c1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)cc1 ZINC000037398084 554240277 /nfs/dbraw/zinc/24/02/77/554240277.db2.gz KAOVOEAKQILHFQ-UHFFFAOYSA-N 0 0 503.584 4.570 50 5 KJBARN CCn1c(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000037398279 554240532 /nfs/dbraw/zinc/24/05/32/554240532.db2.gz IUJOYQOVCUAULJ-UHFFFAOYSA-N 0 0 517.567 4.824 50 5 KJBARN Cc1ccc(-n2c(SCc3ccc(C(=O)N4CCOCC4)cc3)nnc2-c2ccccc2[N+](=O)[O-])cc1 ZINC000037398471 554240850 /nfs/dbraw/zinc/24/08/50/554240850.db2.gz ZQNZUNZTJHHUFD-UHFFFAOYSA-N 0 0 515.595 4.916 50 5 KJBARN COCCNC(=O)c1ccc(CSc2nnc(-c3ccccc3[N+](=O)[O-])n2-c2ccc(C)cc2)cc1 ZINC000037398701 554240783 /nfs/dbraw/zinc/24/07/83/554240783.db2.gz CAAAAQMNOGTSCM-UHFFFAOYSA-N 0 0 503.584 4.819 50 5 KJBARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)CC1 ZINC000037399528 554241709 /nfs/dbraw/zinc/24/17/09/554241709.db2.gz ISXQHWUYYLMBHX-UHFFFAOYSA-N 0 0 515.517 4.948 50 5 KJBARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 ZINC000038141705 554265205 /nfs/dbraw/zinc/26/52/05/554265205.db2.gz ZKFQEACEUNWPMT-NDEPHWFRSA-N 0 0 582.657 4.695 50 5 world KJBARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 ZINC000038141706 554265223 /nfs/dbraw/zinc/26/52/23/554265223.db2.gz ZKFQEACEUNWPMT-MUUNZHRXSA-N 0 0 582.657 4.695 50 5 world KJBARN C[C@@H](CC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1)CC(C)(C)C ZINC000040368020 554283150 /nfs/dbraw/zinc/28/31/50/554283150.db2.gz XVRCKFHDLHTBDJ-SFHVURJKSA-N 0 0 511.579 4.866 50 5 KJBARN C[C@H](CC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1)CC(C)(C)C ZINC000040368021 554283240 /nfs/dbraw/zinc/28/32/40/554283240.db2.gz XVRCKFHDLHTBDJ-GOSISDBHSA-N 0 0 511.579 4.866 50 5 KJBARN CCOC(=O)CSc1nc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c2nc3ccccc3n21 ZINC000050861772 554328059 /nfs/dbraw/zinc/32/80/59/554328059.db2.gz LLXCPCHLBAXGGM-UHFFFAOYSA-N 0 0 544.633 4.681 50 5 KJBARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000053307116 554334736 /nfs/dbraw/zinc/33/47/36/554334736.db2.gz DGLBYZMZTIWNJX-UHFFFAOYSA-N 0 0 551.650 4.811 50 5 KJBARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1SCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000053319508 554338627 /nfs/dbraw/zinc/33/86/27/554338627.db2.gz GNXTUWPEJZZRTM-UHFFFAOYSA-N 0 0 551.650 4.811 50 5 KJBARN Cc1ccc(NC(=O)CSc2nnc3c4sc5nc(N6CCOCC6)c6c(c5c4ncn23)CC(C)(C)OC6)cc1 ZINC000053337727 554342406 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COc1cc(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1O ZINC000059448526 554396224 /nfs/dbraw/zinc/39/62/24/554396224.db2.gz LXQFLUUPOQUGHM-ITIZVALFSA-N 0 0 590.455 4.704 50 5 KJBARN COc1ccc([C@@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Br)cc2)cc1Br ZINC000059503732 554399892 /nfs/dbraw/zinc/39/98/92/554399892.db2.gz AVWMRWBONNHGJT-RTWAWAEBSA-N 0 0 601.207 4.881 50 5 KJBARN COc1ccc([C@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Br)cc2)cc1Br ZINC000059503733 554399816 /nfs/dbraw/zinc/39/98/16/554399816.db2.gz AVWMRWBONNHGJT-SFTDATJTSA-N 0 0 601.207 4.881 50 5 KJBARN COc1ccc([C@@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Br)cc2)cc1Br ZINC000059503734 554399847 /nfs/dbraw/zinc/39/98/47/554399847.db2.gz AVWMRWBONNHGJT-NHCUHLMSSA-N 0 0 601.207 4.881 50 5 KJBARN COc1ccc([C@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Br)cc2)cc1Br ZINC000059503735 554399879 /nfs/dbraw/zinc/39/98/79/554399879.db2.gz 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/nfs/dbraw/zinc/40/07/10/554400710.db2.gz XQGVZTABMCJFDE-XZOQPEGZSA-N 0 0 550.365 4.817 50 5 KJBARN O=C(NC[C@@H]1CCCO1)c1ccc(Cn2c(=O)c3ccccc3nc2SCc2cccc([N+](=O)[O-])c2)cc1 ZINC000059515237 554403048 /nfs/dbraw/zinc/40/30/48/554403048.db2.gz HOSVWLGHMVRLTL-QHCPKHFHSA-N 0 0 530.606 4.554 50 5 KJBARN O=C(NC[C@H]1CCCO1)c1ccc(Cn2c(=O)c3ccccc3nc2SCc2cccc([N+](=O)[O-])c2)cc1 ZINC000059515238 554403084 /nfs/dbraw/zinc/40/30/84/554403084.db2.gz HOSVWLGHMVRLTL-HSZRJFAPSA-N 0 0 530.606 4.554 50 5 KJBARN CCOc1ccc([C@@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000059523127 554404386 /nfs/dbraw/zinc/40/43/86/554404386.db2.gz LZZUPPFTNIAZTH-YADHBBJMSA-N 0 0 536.338 4.509 50 5 KJBARN CCOc1ccc([C@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000059523131 554404283 /nfs/dbraw/zinc/40/42/83/554404283.db2.gz LZZUPPFTNIAZTH-VXKWHMMOSA-N 0 0 536.338 4.509 50 5 KJBARN CCOc1ccc([C@@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000059523134 554404319 /nfs/dbraw/zinc/40/43/19/554404319.db2.gz LZZUPPFTNIAZTH-FGZHOGPDSA-N 0 0 536.338 4.509 50 5 KJBARN CCOc1ccc([C@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000059523137 554404331 /nfs/dbraw/zinc/40/43/31/554404331.db2.gz LZZUPPFTNIAZTH-FCHUYYIVSA-N 0 0 536.338 4.509 50 5 KJBARN CCOC(=O)c1ccc(CN(Cc2ccc(Br)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000059525235 554406264 /nfs/dbraw/zinc/40/62/64/554406264.db2.gz POCOWIUSGLKOEI-UHFFFAOYSA-N 0 0 533.400 4.925 50 5 KJBARN COc1ccc(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc(OC(=O)c3ccncc3)c3ccccc32)cc1[N+](=O)[O-] ZINC000059587394 554408035 /nfs/dbraw/zinc/40/80/35/554408035.db2.gz CBOBHOWWDZFRAL-UHFFFAOYSA-N 0 0 584.566 4.802 50 5 KJBARN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)COc4ccccc4)cc3s2)c([N+](=O)[O-])c1 ZINC000059595731 554408309 /nfs/dbraw/zinc/40/83/09/554408309.db2.gz ICZVLWMCAAAMKN-UHFFFAOYSA-N 0 0 524.580 4.961 50 5 KJBARN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000059595736 554408306 /nfs/dbraw/zinc/40/83/06/554408306.db2.gz HENBWZXEMWKEEL-UHFFFAOYSA-N 0 0 535.029 4.937 50 5 KJBARN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000059595973 554408561 /nfs/dbraw/zinc/40/85/61/554408561.db2.gz KEWNBILPISSEHD-UHFFFAOYSA-N 0 0 568.055 4.736 50 5 KJBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccc(Cl)c(Cl)c2)n1C ZINC000059596408 554408765 /nfs/dbraw/zinc/40/87/65/554408765.db2.gz BQANDGPBXBDBMU-GFCCVEGCSA-N 0 0 523.402 4.560 50 5 KJBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccc(Cl)c(Cl)c2)n1C ZINC000059596413 554408774 /nfs/dbraw/zinc/40/87/74/554408774.db2.gz BQANDGPBXBDBMU-LBPRGKRZSA-N 0 0 523.402 4.560 50 5 KJBARN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000059596468 554408785 /nfs/dbraw/zinc/40/87/85/554408785.db2.gz LRYANXJUHJDFOY-UHFFFAOYSA-N 0 0 535.029 4.937 50 5 KJBARN O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1 ZINC000059596617 554409121 /nfs/dbraw/zinc/40/91/21/554409121.db2.gz VZDPHHLCHSFIBJ-UHFFFAOYSA-N 0 0 537.601 4.985 50 5 KJBARN Cc1ccc(-c2nn(-c3cc(N4CCN(C(=O)c5ccco5)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc32)cc1 ZINC000059602901 554409275 /nfs/dbraw/zinc/40/92/75/554409275.db2.gz BBFQICZSCMADEN-UHFFFAOYSA-N 0 0 535.560 4.825 50 5 KJBARN COC(=O)c1sc(NC(=S)N2CCN(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)CC2)c(C(=O)OC)c1C ZINC000059603471 554409939 /nfs/dbraw/zinc/40/99/39/554409939.db2.gz RLFFGCIZDQQQEF-UHFFFAOYSA-N 0 0 597.096 4.561 50 5 KJBARN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc(C)c3O)nc2c1 ZINC000059608607 554411653 /nfs/dbraw/zinc/41/16/53/554411653.db2.gz VHLKCILGEGNNHY-UHFFFAOYSA-N 0 0 561.620 4.943 50 5 KJBARN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059608611 554411640 /nfs/dbraw/zinc/41/16/40/554411640.db2.gz KMKYBHIYONLYQD-UHFFFAOYSA-N 0 0 593.109 4.938 50 5 KJBARN CCn1c(CC(=O)Nc2cccc(Cl)c2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000059612027 554412230 /nfs/dbraw/zinc/41/22/30/554412230.db2.gz RXJCBWXIKSHBDM-UHFFFAOYSA-N 0 0 523.402 4.733 50 5 KJBARN O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000059612401 554412336 /nfs/dbraw/zinc/41/23/36/554412336.db2.gz DDLXFTRTOSMLJT-UHFFFAOYSA-N 0 0 565.007 4.985 50 5 KJBARN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000059616786 554412963 /nfs/dbraw/zinc/41/29/63/554412963.db2.gz LPQUVUSJPWOWSJ-UHFFFAOYSA-N 0 0 536.032 4.659 50 5 KJBARN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nn12 ZINC000059617165 554413291 /nfs/dbraw/zinc/41/32/91/554413291.db2.gz PPEOECGYZMICCI-UHFFFAOYSA-N 0 0 550.670 4.749 50 5 KJBARN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000059620445 554413910 /nfs/dbraw/zinc/41/39/10/554413910.db2.gz VFVJGNAKSFGYDW-UHFFFAOYSA-N 0 0 542.017 4.694 50 5 KJBARN COc1ccc(NC(=O)CSc2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000059626751 554415200 /nfs/dbraw/zinc/41/52/00/554415200.db2.gz FOHKQYXELHXDNA-UHFFFAOYSA-N 0 0 524.477 4.827 50 5 KJBARN O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000059627082 554415652 /nfs/dbraw/zinc/41/56/52/554415652.db2.gz WEVBBESUTPCYJU-UHFFFAOYSA-N 0 0 583.424 4.524 50 5 KJBARN O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000059627095 554415573 /nfs/dbraw/zinc/41/55/73/554415573.db2.gz BPJSQCXKAXMPOT-UHFFFAOYSA-N 0 0 565.007 4.985 50 5 KJBARN COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000059630797 554416304 /nfs/dbraw/zinc/41/63/04/554416304.db2.gz DNPZRHVKQGGQKU-UHFFFAOYSA-N 0 0 533.990 4.716 50 5 KJBARN COc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059646470 554417500 /nfs/dbraw/zinc/41/75/00/554417500.db2.gz OBAPGEQOSBARHP-UHFFFAOYSA-N 0 0 534.388 4.508 50 5 KJBARN COc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059646474 554417348 /nfs/dbraw/zinc/41/73/48/554417348.db2.gz QKPYLMOULCAFHI-UHFFFAOYSA-N 0 0 534.388 4.508 50 5 KJBARN COc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059646482 554417456 /nfs/dbraw/zinc/41/74/56/554417456.db2.gz FTOVXJRFSVRHBF-UHFFFAOYSA-N 0 0 548.415 4.817 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000059736041 554427607 /nfs/dbraw/zinc/42/76/07/554427607.db2.gz HWSGYOBDCMALNH-JLKMOJGBSA-N 0 0 613.692 4.993 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000059736046 554427641 /nfs/dbraw/zinc/42/76/41/554427641.db2.gz HWSGYOBDCMALNH-UNDLXJOSSA-N 0 0 613.692 4.993 50 5 KJBARN COc1ccccc1-n1c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccc(I)cc2c1=O ZINC000059738406 554427661 /nfs/dbraw/zinc/42/76/61/554427661.db2.gz DDRANVCMXYKSEE-JXMROGBWSA-N 0 0 515.263 4.671 50 5 KJBARN CCn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000059768630 554428481 /nfs/dbraw/zinc/42/84/81/554428481.db2.gz GOEFNTJSYGDDSB-UHFFFAOYSA-N 0 0 523.402 4.733 50 5 KJBARN COc1cccc(-n2c(/C=C/c3ccc([N+](=O)[O-])o3)nc3ccc(I)cc3c2=O)c1 ZINC000059776087 554429280 /nfs/dbraw/zinc/42/92/80/554429280.db2.gz QKIQMWBBAVHKTB-RMKNXTFCSA-N 0 0 515.263 4.671 50 5 KJBARN CCOc1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059778026 554429285 /nfs/dbraw/zinc/42/92/85/554429285.db2.gz NTSVQRAMDRNHJP-UHFFFAOYSA-N 0 0 533.990 4.798 50 5 KJBARN C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(OP(=O)(Oc3ccccc3)Oc3ccccc3)[C@H](C)[C@H]12 ZINC000059796878 554430579 /nfs/dbraw/zinc/43/05/79/554430579.db2.gz STULDTCHQXVRIX-PIYXRGFCSA-N 0 0 594.513 4.990 50 5 in-vitro KJBARN O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1cccc(I)c1 ZINC000059819389 554430961 /nfs/dbraw/zinc/43/09/61/554430961.db2.gz LTRPLVPWSIIMPZ-AWEZNQCLSA-N 0 0 514.534 4.738 50 5 KJBARN O=C(N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1cccc(I)c1 ZINC000059819390 554431062 /nfs/dbraw/zinc/43/10/62/554431062.db2.gz LTRPLVPWSIIMPZ-CQSZACIVSA-N 0 0 514.534 4.738 50 5 KJBARN COc1ccc(NC(=S)N[C@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000059857821 554455121 /nfs/dbraw/zinc/45/51/21/554455121.db2.gz YULMWEMOUCMRJJ-HNNXBMFYSA-N 0 0 556.653 4.779 50 5 KJBARN COc1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000059857828 554455145 /nfs/dbraw/zinc/45/51/45/554455145.db2.gz YULMWEMOUCMRJJ-OAHLLOKOSA-N 0 0 556.653 4.779 50 5 KJBARN O=C(Nc1ccc(N2CCN(C(=O)c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000059891681 554472308 /nfs/dbraw/zinc/47/23/08/554472308.db2.gz FTFKBGATLWYXGU-UHFFFAOYSA-N 0 0 544.820 4.751 50 5 KJBARN COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c([N+](=O)[O-])c1 ZINC000059895779 554472348 /nfs/dbraw/zinc/47/23/48/554472348.db2.gz UAKWEPGBSCFXHJ-UHFFFAOYSA-N 0 0 522.608 4.974 50 5 KJBARN COc1ccc(-c2nn3c(SCC(=O)Nc4ccccc4Cl)nc4ccccc4c3nc2=O)cc1 ZINC000062587502 554507157 /nfs/dbraw/zinc/50/71/57/554507157.db2.gz YAEYENOCJHEDPK-UHFFFAOYSA-N 0 0 503.971 4.698 50 5 KJBARN Cc1ccc2nc(NC(=O)CSc3nc4ccccc4c4nc(=O)c(-c5ccccc5)nn34)sc2c1 ZINC000062588334 554507165 /nfs/dbraw/zinc/50/71/65/554507165.db2.gz NZJSWXKSCVPYAD-UHFFFAOYSA-N 0 0 510.604 4.954 50 5 KJBARN CN(C)c1ccc2c(c1)sc1cc(=[N+](C)C)ccc-1c2-c1ccccc1C(=O)N(C)CCCC(=O)[O-] ZINC000071773479 553636849 /nfs/dbraw/zinc/63/68/49/553636849.db2.gz DGSCDFVOFLKMPF-UHFFFAOYSA-O 0 0 502.660 4.708 50 5 KJBARN COc1cc(-c2cc(CCC(=O)Nc3ccccc3[N+](=O)[O-])n(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)ccc1O ZINC000073354551 553653601 /nfs/dbraw/zinc/65/36/01/553653601.db2.gz YCAYOHUUPHXTMH-UHFFFAOYSA-N 0 0 548.468 4.549 50 5 KJBARN Cn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 ZINC000085392981 553679370 /nfs/dbraw/zinc/67/93/70/553679370.db2.gz PUIGJDXQXDQALN-UHFFFAOYSA-N 0 0 505.581 4.874 50 5 KJBARN COc1ccc(-c2nc3ccc(-c4cccc([N+](=O)[O-])c4)cn3c2CN2CCN(C(=O)C(C)C)CC2)cc1 ZINC000085421936 553681415 /nfs/dbraw/zinc/68/14/15/553681415.db2.gz JXZRGBMKFAWTMG-UHFFFAOYSA-N 0 0 513.598 4.885 50 5 KJBARN O=C(CSc1nc2cc(F)ccc2c2nc(=O)c(-c3ccccc3)nn12)NC12CC3CC(CC(C3)C1)C2 ZINC000089847929 553694390 /nfs/dbraw/zinc/69/43/90/553694390.db2.gz LEYJCEMTKFVRET-UHFFFAOYSA-N 0 0 515.614 4.621 50 5 KJBARN O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccc(F)cc3)nn12)NC12CC3CC(CC(C3)C1)C2 ZINC000089872968 553694339 /nfs/dbraw/zinc/69/43/39/553694339.db2.gz AVLIERHJBZAAQD-UHFFFAOYSA-N 0 0 515.614 4.621 50 5 KJBARN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000095471440 553701471 /nfs/dbraw/zinc/70/14/71/553701471.db2.gz AWQCNMXIEWQIPN-UCQKPKSFSA-N 0 0 519.535 4.857 50 5 KJBARN COc1c(Br)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000095747871 553712609 /nfs/dbraw/zinc/71/26/09/553712609.db2.gz CVFOLDDOYWEYJP-UHFFFAOYSA-N 0 0 538.094 4.551 50 5 KJBARN Cc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-] ZINC000095748088 553712881 /nfs/dbraw/zinc/71/28/81/553712881.db2.gz MZZOCELBQNDPGL-MRXNPFEDSA-N 0 0 535.422 4.945 50 5 KJBARN COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c(OC)c1 ZINC000095945119 553715614 /nfs/dbraw/zinc/71/56/14/553715614.db2.gz WTAZXBVABRNKPW-SFHVURJKSA-N 0 0 500.305 4.959 50 5 KJBARN COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(OC)c1 ZINC000095945120 553715621 /nfs/dbraw/zinc/71/56/21/553715621.db2.gz WTAZXBVABRNKPW-GOSISDBHSA-N 0 0 500.305 4.959 50 5 KJBARN COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c(OC)c1 ZINC000095945540 553715641 /nfs/dbraw/zinc/71/56/41/553715641.db2.gz AYNBXKFZOYRVOD-QFIPXVFZSA-N 0 0 521.526 4.629 50 5 KJBARN COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(OC)c1 ZINC000095945541 553715649 /nfs/dbraw/zinc/71/56/49/553715649.db2.gz AYNBXKFZOYRVOD-JOCHJYFZSA-N 0 0 521.526 4.629 50 5 KJBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(CCN1C(=O)c2cccc3cccc(c32)C1=O)c1cccc(F)c1 ZINC000096022206 553720107 /nfs/dbraw/zinc/72/01/07/553720107.db2.gz CRLMYSFLEZNYAU-UHFFFAOYSA-N 0 0 528.452 4.738 50 5 KJBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2cccc(C)c2)nn1C(C)(C)C ZINC000096203677 553728335 /nfs/dbraw/zinc/72/83/35/553728335.db2.gz ZGXXNYLQYMSABO-UHFFFAOYSA-N 0 0 529.619 4.896 50 5 KJBARN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1[N+](=O)[O-])NCCN1CCOCC1 ZINC000096275562 553732707 /nfs/dbraw/zinc/73/27/07/553732707.db2.gz CQFGAGRHTKFGDJ-SANMLTNESA-N 0 0 512.610 4.568 50 5 KJBARN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1[N+](=O)[O-])NCCN1CCOCC1 ZINC000096275563 553732695 /nfs/dbraw/zinc/73/26/95/553732695.db2.gz CQFGAGRHTKFGDJ-AREMUKBSSA-N 0 0 512.610 4.568 50 5 KJBARN Cc1ccc([C@@H](CC(=O)NCCN2CCOCC2)c2cn(Cc3ccccc3)c3ccc([N+](=O)[O-])cc23)cc1 ZINC000096275968 553732961 /nfs/dbraw/zinc/73/29/61/553732961.db2.gz YHASZBHURNIWGK-HHHXNRCGSA-N 0 0 526.637 4.877 50 5 KJBARN Cc1ccc([C@H](CC(=O)NCCN2CCOCC2)c2cn(Cc3ccccc3)c3ccc([N+](=O)[O-])cc23)cc1 ZINC000096275969 553732983 /nfs/dbraw/zinc/73/29/83/553732983.db2.gz YHASZBHURNIWGK-MHZLTWQESA-N 0 0 526.637 4.877 50 5 KJBARN O=C(C[C@@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(OCc2ccccc2)c1)NCCN1CCOCC1 ZINC000096276847 553733820 /nfs/dbraw/zinc/73/38/20/553733820.db2.gz OROIYSUDXSJXDM-AREMUKBSSA-N 0 0 528.609 4.626 50 5 KJBARN O=C(C[C@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(OCc2ccccc2)c1)NCCN1CCOCC1 ZINC000096276848 553733782 /nfs/dbraw/zinc/73/37/82/553733782.db2.gz OROIYSUDXSJXDM-SANMLTNESA-N 0 0 528.609 4.626 50 5 KJBARN O=C(C[C@@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Oc2ccccc2)c1)NCCN1CCOCC1 ZINC000096276851 553733854 /nfs/dbraw/zinc/73/38/54/553733854.db2.gz VKSRUMMKZJMJGP-RUZDIDTESA-N 0 0 514.582 4.839 50 5 KJBARN O=C(C[C@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Oc2ccccc2)c1)NCCN1CCOCC1 ZINC000096276852 553733769 /nfs/dbraw/zinc/73/37/69/553733769.db2.gz VKSRUMMKZJMJGP-VWLOTQADSA-N 0 0 514.582 4.839 50 5 KJBARN O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1)NCCN1CCOCC1 ZINC000096277096 553734040 /nfs/dbraw/zinc/73/40/40/553734040.db2.gz IIBSOBQXRMELPF-MHZLTWQESA-N 0 0 530.600 4.707 50 5 KJBARN O=C(C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1)NCCN1CCOCC1 ZINC000096277097 553734009 /nfs/dbraw/zinc/73/40/09/553734009.db2.gz IIBSOBQXRMELPF-HHHXNRCGSA-N 0 0 530.600 4.707 50 5 KJBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2cccc(C)c2)nn1C(C)C ZINC000096278848 553735406 /nfs/dbraw/zinc/73/54/06/553735406.db2.gz GXZGQGUCPHGXMY-UHFFFAOYSA-N 0 0 515.592 4.722 50 5 KJBARN CC(C)c1ccc(-n2c3ncn(Cc4ccc([N+](=O)[O-])cc4)c3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000096281305 553737471 /nfs/dbraw/zinc/73/74/71/553737471.db2.gz XTJJPIIZBHUHMQ-UHFFFAOYSA-N 0 0 513.529 4.616 50 5 KJBARN COCCn1c(SCc2ccccc2C(=O)NCc2ccc(F)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000096289976 553742500 /nfs/dbraw/zinc/74/25/00/553742500.db2.gz VTCBJNOZUYRFSH-UHFFFAOYSA-N 0 0 521.574 4.861 50 5 KJBARN COCCn1c(SCc2ccc(C(=O)NCc3ccc(F)cc3)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000096290054 553742879 /nfs/dbraw/zinc/74/28/79/553742879.db2.gz WZUDQUDTLJMFAS-UHFFFAOYSA-N 0 0 521.574 4.861 50 5 KJBARN COCCNC(=O)c1ccccc1CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1cccc(C)c1 ZINC000096291020 553744427 /nfs/dbraw/zinc/74/44/27/553744427.db2.gz JAFWTFQJEANZJW-UHFFFAOYSA-N 0 0 503.584 4.819 50 5 KJBARN CCC(=O)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(-c4ccc(C(C)=O)cc4)cn32)CC1 ZINC000096291280 553745117 /nfs/dbraw/zinc/74/51/17/553745117.db2.gz NTGSDQYTDCPWMT-UHFFFAOYSA-N 0 0 511.582 4.833 50 5 KJBARN Cc1c(C(=O)Nc2cccc(C)c2)nn(C(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000096291341 553745333 /nfs/dbraw/zinc/74/53/33/553745333.db2.gz GEJNWEOHBWMIAV-UHFFFAOYSA-N 0 0 527.603 4.818 50 5 KJBARN CCn1c(SCc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000096291933 553745362 /nfs/dbraw/zinc/74/53/62/553745362.db2.gz RASOADPEHQKTTH-UHFFFAOYSA-N 0 0 517.567 4.824 50 5 KJBARN O=C(COc1ccc(Cl)cc1)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)CCc1ccccc1 ZINC000096292169 553745931 /nfs/dbraw/zinc/74/59/31/553745931.db2.gz UJDPOMWQAKLCKP-UHFFFAOYSA-N 0 0 506.946 4.991 50 5 KJBARN COc1ccc(-c2nc3ccc(-c4cccc([N+](=O)[O-])c4)cn3c2CN2CCN(C(=O)C3CC3)CC2)cc1 ZINC000096292314 553746227 /nfs/dbraw/zinc/74/62/27/553746227.db2.gz VFQAKJJRBDWRBX-UHFFFAOYSA-N 0 0 511.582 4.639 50 5 KJBARN COCC(=O)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(-c4cccc(Cl)c4)cn32)CC1 ZINC000096292461 553746566 /nfs/dbraw/zinc/74/65/66/553746566.db2.gz RZEWIBKGCGZZQB-UHFFFAOYSA-N 0 0 519.989 4.521 50 5 KJBARN O=C(CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000096398670 553752786 /nfs/dbraw/zinc/75/27/86/553752786.db2.gz HYXJHQFKXHGSAM-LDADJPATSA-N 0 0 514.466 4.905 50 5 KJBARN COc1ccc([C@@H]2Nc3c(sc4nc(C(F)(F)F)cc(C)c43)C(=O)N2)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000097945263 553770831 /nfs/dbraw/zinc/77/08/31/553770831.db2.gz XJTZMRWGPNQGDY-LJQANCHMSA-N 0 0 518.477 4.639 50 5 KJBARN COc1ccc([C@H]2Nc3c(sc4nc(C(F)(F)F)cc(C)c43)C(=O)N2)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000097945264 553770834 /nfs/dbraw/zinc/77/08/34/553770834.db2.gz XJTZMRWGPNQGDY-IBGZPJMESA-N 0 0 518.477 4.639 50 5 KJBARN CCn1c(CCn2nc([N+](=O)[O-])cc2C)nnc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000097945266 553770838 /nfs/dbraw/zinc/77/08/38/553770838.db2.gz ZRYIZVLFUCDJDP-UHFFFAOYSA-N 0 0 518.814 4.645 50 5 KJBARN CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000097945308 553771179 /nfs/dbraw/zinc/77/11/79/553771179.db2.gz FOWVTVMGKMAFSE-UHFFFAOYSA-N 0 0 521.884 4.710 50 5 KJBARN Cc1nn(Cc2c(C)onc2C(=O)Nc2c(Br)cc(F)cc2Br)c(C)c1[N+](=O)[O-] ZINC000097945547 553772900 /nfs/dbraw/zinc/77/29/00/553772900.db2.gz FAQMQEKFUDXYBK-UHFFFAOYSA-N 0 0 531.136 4.669 50 5 KJBARN CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000097945680 553773877 /nfs/dbraw/zinc/77/38/77/553773877.db2.gz UDYJYXCYVXOEQO-UHFFFAOYSA-N 0 0 534.521 4.748 50 5 KJBARN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 ZINC000097945728 553774349 /nfs/dbraw/zinc/77/43/49/553774349.db2.gz MIWMDMPJVVYFQW-UHFFFAOYSA-N 0 0 535.626 4.676 50 5 KJBARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2CC)cc1 ZINC000097945729 553774392 /nfs/dbraw/zinc/77/43/92/553774392.db2.gz XWQFVFMBMCJPTL-UHFFFAOYSA-N 0 0 535.630 4.864 50 5 KJBARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000097945807 553774918 /nfs/dbraw/zinc/77/49/18/553774918.db2.gz QLCDLRYCZOHPKE-UHFFFAOYSA-N 0 0 536.972 4.640 50 5 KJBARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000097945809 553774906 /nfs/dbraw/zinc/77/49/06/553774906.db2.gz AQZSHZQYZRPHBH-UHFFFAOYSA-N 0 0 536.972 4.640 50 5 KJBARN COc1ccc(-c2nn(Cn3ccc([N+](=O)[O-])n3)c(-c3ccc(OC)c(OC)c3)c2Br)cc1OC ZINC000097947861 553789213 /nfs/dbraw/zinc/78/92/13/553789213.db2.gz DVNOKDMBLBFRAC-UHFFFAOYSA-N 0 0 544.362 4.625 50 5 KJBARN C[C@H](OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)c1ccccc1 ZINC000097947931 553789731 /nfs/dbraw/zinc/78/97/31/553789731.db2.gz SCBLMMQPTCMCGO-IBGZPJMESA-N 0 0 546.532 4.558 50 5 KJBARN C[C@@H](OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)c1ccccc1 ZINC000097947932 553789762 /nfs/dbraw/zinc/78/97/62/553789762.db2.gz SCBLMMQPTCMCGO-LJQANCHMSA-N 0 0 546.532 4.558 50 5 KJBARN C[C@H](OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccccc1 ZINC000097947936 553789974 /nfs/dbraw/zinc/78/99/74/553789974.db2.gz WCVQJTROSHNHNX-IBGZPJMESA-N 0 0 546.532 4.558 50 5 KJBARN C[C@@H](OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccccc1 ZINC000097947937 553789977 /nfs/dbraw/zinc/78/99/77/553789977.db2.gz WCVQJTROSHNHNX-LJQANCHMSA-N 0 0 546.532 4.558 50 5 KJBARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000097948134 553791506 /nfs/dbraw/zinc/79/15/06/553791506.db2.gz YMYXOFAGOLZBGC-UHFFFAOYSA-N 0 0 554.559 4.856 50 5 KJBARN O=C(CCCC(=O)OCC(=O)c1ccc(Cl)cc1)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000097948392 553793387 /nfs/dbraw/zinc/79/33/87/553793387.db2.gz KQTUENJFCNZURB-UHFFFAOYSA-N 0 0 566.950 4.823 50 5 KJBARN C[C@H](OC(=O)CCC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1cccc(Cl)c1 ZINC000097948393 553793325 /nfs/dbraw/zinc/79/33/25/553793325.db2.gz MLIKBZQYPQDZFX-KRWDZBQOSA-N 0 0 566.950 4.821 50 5 KJBARN C[C@@H](OC(=O)CCC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1cccc(Cl)c1 ZINC000097948394 553793323 /nfs/dbraw/zinc/79/33/23/553793323.db2.gz MLIKBZQYPQDZFX-QGZVFWFLSA-N 0 0 566.950 4.821 50 5 KJBARN C[C@H](OC(=O)CCC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000097948395 553793402 /nfs/dbraw/zinc/79/34/02/553793402.db2.gz FQCDJNNLOQAXBD-KRWDZBQOSA-N 0 0 566.950 4.821 50 5 KJBARN C[C@@H](OC(=O)CCC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000097948396 553793566 /nfs/dbraw/zinc/79/35/66/553793566.db2.gz FQCDJNNLOQAXBD-QGZVFWFLSA-N 0 0 566.950 4.821 50 5 KJBARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000097948456 553793838 /nfs/dbraw/zinc/79/38/38/553793838.db2.gz PACQQJAZESSEBE-UHFFFAOYSA-N 0 0 571.634 4.586 50 5 KJBARN O=C(CCC(=O)OCC(=O)c1ccc(Br)cc1)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000097948708 553796022 /nfs/dbraw/zinc/79/60/22/553796022.db2.gz MZORIJZUGFCSQM-UHFFFAOYSA-N 0 0 597.374 4.542 50 5 KJBARN O=C(CCCC(=O)OCC(=O)c1ccc(Br)cc1)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000097948886 553797417 /nfs/dbraw/zinc/79/74/17/553797417.db2.gz QUXRYVGOWGHWDS-UHFFFAOYSA-N 0 0 611.401 4.932 50 5 KJBARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000097949058 553798978 /nfs/dbraw/zinc/79/89/78/553798978.db2.gz UPVHVXKEPJWDBU-AREMUKBSSA-N 0 0 636.731 4.795 50 5 KJBARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000097949059 553798934 /nfs/dbraw/zinc/79/89/34/553798934.db2.gz UPVHVXKEPJWDBU-SANMLTNESA-N 0 0 636.731 4.795 50 5 KJBARN O=C(N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000097949405 553801728 /nfs/dbraw/zinc/80/17/28/553801728.db2.gz QTKMDOOPTWLBBE-CQSZACIVSA-N 0 0 526.627 4.770 50 5 KJBARN O=C(N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000097949406 553801690 /nfs/dbraw/zinc/80/16/90/553801690.db2.gz QTKMDOOPTWLBBE-AWEZNQCLSA-N 0 0 526.627 4.770 50 5 KJBARN O=C(N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccc(I)cc1 ZINC000097949407 553801615 /nfs/dbraw/zinc/80/16/15/553801615.db2.gz VVUVZLOVGJVJJU-CQSZACIVSA-N 0 0 573.627 4.612 50 5 KJBARN O=C(N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccc(I)cc1 ZINC000097949408 553801637 /nfs/dbraw/zinc/80/16/37/553801637.db2.gz VVUVZLOVGJVJJU-AWEZNQCLSA-N 0 0 573.627 4.612 50 5 KJBARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c2nnc(SCC(=O)c4ccccc4)n2cnc13 ZINC000097951330 553808384 /nfs/dbraw/zinc/80/83/84/553808384.db2.gz RJZLZXDEDQKASZ-UHFFFAOYSA-N 0 0 546.678 4.550 50 5 KJBARN O=C(CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3)Nc1ccccc1[N+](=O)[O-] ZINC000097951417 553808821 /nfs/dbraw/zinc/80/88/21/553808821.db2.gz GWHRBRNZCJPPHX-UHFFFAOYSA-N 0 0 536.639 4.594 50 5 KJBARN CC(=O)Oc1ccc2nc(-c3cccc(N4C(=O)c5cccc6c([N+](=O)[O-])ccc(c65)C4=O)c3)oc(=O)c2c1 ZINC000097951797 553811436 /nfs/dbraw/zinc/81/14/36/553811436.db2.gz XMQBLGSWALIEHX-UHFFFAOYSA-N 0 0 521.441 4.642 50 5 KJBARN O=c1/c(=C/c2ccc(Br)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000097951829 553811770 /nfs/dbraw/zinc/81/17/70/553811770.db2.gz UWGCZQPQQIXJHY-JPFXZVHCSA-N 0 0 534.391 4.582 50 5 KJBARN O=c1/c(=C/c2ccc(Br)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000097951830 553811732 /nfs/dbraw/zinc/81/17/32/553811732.db2.gz UWGCZQPQQIXJHY-BXDIUNCMSA-N 0 0 534.391 4.582 50 5 KJBARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000097952627 553817371 /nfs/dbraw/zinc/81/73/71/553817371.db2.gz FMXXYIVIPSIQJU-MTJSOVHGSA-N 0 0 538.379 4.715 50 5 KJBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000097954105 553821362 /nfs/dbraw/zinc/82/13/62/553821362.db2.gz XDJVBOVYZPVUFC-ZRBLBEILSA-N 0 0 544.347 4.970 50 5 KJBARN CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097954183 553821903 /nfs/dbraw/zinc/82/19/03/553821903.db2.gz JXJTWXJZSZYYJA-ZRBLBEILSA-N 0 0 522.355 4.971 50 5 KJBARN COCCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1cccc([N+](=O)[O-])c1 ZINC000097954591 553824403 /nfs/dbraw/zinc/82/44/03/553824403.db2.gz NTYSYGKTVPUPPN-QHCPKHFHSA-N 0 0 502.527 4.791 50 5 KJBARN COCCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1cccc([N+](=O)[O-])c1 ZINC000097954592 553824402 /nfs/dbraw/zinc/82/44/02/553824402.db2.gz NTYSYGKTVPUPPN-HSZRJFAPSA-N 0 0 502.527 4.791 50 5 KJBARN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1)c1ccccc1 ZINC000097954682 553824777 /nfs/dbraw/zinc/82/47/77/553824777.db2.gz CULCPBQILUMGDD-VJGNERBWSA-N 0 0 535.512 4.865 50 5 KJBARN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000097954730 553825070 /nfs/dbraw/zinc/82/50/70/553825070.db2.gz NHTXPMUVVKFOGS-IARZGTGTSA-N 0 0 549.539 4.861 50 5 KJBARN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000097954747 553825413 /nfs/dbraw/zinc/82/54/13/553825413.db2.gz KGBLZUFTTAWBDC-VJGNERBWSA-N 0 0 535.512 4.865 50 5 KJBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000097954846 553826008 /nfs/dbraw/zinc/82/60/08/553826008.db2.gz SMCKRAPUDIDSSG-VJGNERBWSA-N 0 0 525.517 4.816 50 5 KJBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000097954854 553825964 /nfs/dbraw/zinc/82/59/64/553825964.db2.gz KTGJPNGCODAZTE-ZRBLBEILSA-N 0 0 538.354 4.725 50 5 KJBARN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1cccc([N+](=O)[O-])c1 ZINC000097954863 553825846 /nfs/dbraw/zinc/82/58/46/553825846.db2.gz ZHOHUBOBSUQXHY-BDTNDASRSA-N 0 0 542.317 4.556 50 5 KJBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000097954924 553826744 /nfs/dbraw/zinc/82/67/44/553826744.db2.gz PQOCXMGKHRLBJX-BDTNDASRSA-N 0 0 542.317 4.556 50 5 KJBARN COc1ccc(-c2nn3c(SCC(=O)Nc4ccccc4F)nc4ccc(Br)cc4c3nc2=O)cc1 ZINC000097971434 553962620 /nfs/dbraw/zinc/96/26/20/553962620.db2.gz USRLUTRYLLCXMO-UHFFFAOYSA-N 0 0 566.412 4.946 50 5 KJBARN CCOC(=O)c1c2cc(-c3ccc(OC)c(OC)c3)ncn2c(C(=O)c2ccc([N+](=O)[O-])cc2)c1C(=O)OCC ZINC000097976922 553973466 /nfs/dbraw/zinc/97/34/66/553973466.db2.gz CTXHICKESOHBFY-UHFFFAOYSA-N 0 0 547.520 4.511 50 5 KJBARN COc1cccc(C2=NN(CN3C(=O)C(=O)c4cc(Br)ccc43)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000097977149 553974256 /nfs/dbraw/zinc/97/42/56/553974256.db2.gz FGCCPMBZPDUIFW-QHCPKHFHSA-N 0 0 535.354 4.704 50 5 KJBARN COc1cccc(C2=NN(CN3C(=O)C(=O)c4cc(Br)ccc43)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000097977150 553974231 /nfs/dbraw/zinc/97/42/31/553974231.db2.gz FGCCPMBZPDUIFW-HSZRJFAPSA-N 0 0 535.354 4.704 50 5 KJBARN CCOC(=O)CCCNC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc([N+](=O)[O-])cc1 ZINC000097979012 1067141323 /nfs/dbraw/zinc/14/13/23/1067141323.db2.gz VGSJZMMSEKSWDB-LVZFUZTISA-N 0 0 531.565 4.636 50 5 KJBARN COc1ccc(NC(=O)CSC2=N/C(=C/c3ccco3)C(=O)N2c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000097979158 553976937 /nfs/dbraw/zinc/97/69/37/553976937.db2.gz LQMPFFSTTUYONU-YBFXNURJSA-N 0 0 544.492 4.913 50 5 KJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1 ZINC000097979159 553976965 /nfs/dbraw/zinc/97/69/65/553976965.db2.gz 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COCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000098016976 554105276 /nfs/dbraw/zinc/10/52/76/554105276.db2.gz IENMOHZRYCJHEE-AREMUKBSSA-N 0 0 594.111 4.520 50 5 KJBARN COc1ccc(CCN(Cc2sccc2C)C(=O)CN(CC(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000098017024 554105558 /nfs/dbraw/zinc/10/55/58/554105558.db2.gz ITJIHNSMRNMDNT-UHFFFAOYSA-N 0 0 589.736 4.900 50 5 KJBARN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000098017230 554106813 /nfs/dbraw/zinc/10/68/13/554106813.db2.gz RAYXSSJNSFDGAR-UHFFFAOYSA-N 0 0 533.647 4.980 50 5 KJBARN COc1ccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n(-c3ccc(F)cc3)n2)c(OC)c1 ZINC000098017298 554107416 /nfs/dbraw/zinc/10/74/16/554107416.db2.gz RQAPFWWMYUOIGB-UHFFFAOYSA-N 0 0 531.544 4.566 50 5 KJBARN COCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000098017438 554108198 /nfs/dbraw/zinc/10/81/98/554108198.db2.gz NJBNSDPGJILOQO-UHFFFAOYSA-N 0 0 547.587 4.967 50 5 KJBARN COc1ccc(CCN(Cc2ccco2)C(=O)CN(CC(C)C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000098018052 554111881 /nfs/dbraw/zinc/11/18/81/554111881.db2.gz DENMYQGJAMWQJL-UHFFFAOYSA-N 0 0 537.613 4.883 50 5 KJBARN COc1ccc(CN(Cc2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)Cc2ccc3c(c2)OCO3)c(OC)c1 ZINC000098019665 554113947 /nfs/dbraw/zinc/11/39/47/554113947.db2.gz PZLRENSAZYENPT-UHFFFAOYSA-N 0 0 631.711 4.962 50 5 KJBARN COCCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000098019908 554115386 /nfs/dbraw/zinc/11/53/86/554115386.db2.gz WNGIZMAUNVWGTQ-UHFFFAOYSA-N 0 0 557.603 4.636 50 5 KJBARN Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(C5CCN(S(=O)(=O)c6ccccc6)CC5)nc34)c21 ZINC000098046165 554136463 /nfs/dbraw/zinc/13/64/63/554136463.db2.gz CLDXSZAPROTFKI-UHFFFAOYSA-N 0 0 532.573 4.783 50 5 KJBARN Cc1cc(C(F)F)nc2sc3c(ncn4nc(C5CCN(S(=O)(=O)c6cccc([N+](=O)[O-])c6)CC5)nc34)c21 ZINC000098046188 554136443 /nfs/dbraw/zinc/13/64/43/554136443.db2.gz JUTUNBDVBSOJDZ-UHFFFAOYSA-N 0 0 559.580 4.610 50 5 KJBARN Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(C5CCN(S(=O)(=O)c6cccc([N+](=O)[O-])c6)CC5)nc34)c21 ZINC000098046189 554136739 /nfs/dbraw/zinc/13/67/39/554136739.db2.gz DLGPFHNLBLPSHE-UHFFFAOYSA-N 0 0 577.570 4.691 50 5 KJBARN Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc([C@@H]5CCCN(S(=O)(=O)c6ccccc6)C5)nc34)c21 ZINC000098046192 554136782 /nfs/dbraw/zinc/13/67/82/554136782.db2.gz LAROHTPUVOPKJC-CQSZACIVSA-N 0 0 532.573 4.783 50 5 KJBARN Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc([C@H]5CCCN(S(=O)(=O)c6ccccc6)C5)nc34)c21 ZINC000098046193 554136768 /nfs/dbraw/zinc/13/67/68/554136768.db2.gz LAROHTPUVOPKJC-AWEZNQCLSA-N 0 0 532.573 4.783 50 5 KJBARN Cc1cc([N+](=O)[O-])nn1CCc1nc2c3sc4nc(C(F)(F)F)cc(-c5ccco5)c4c3ncn2n1 ZINC000098046233 554137055 /nfs/dbraw/zinc/13/70/55/554137055.db2.gz JYPHDYYGVVLLLY-UHFFFAOYSA-N 0 0 514.449 4.822 50 5 KJBARN Cc1c(-c2cc(C(F)(F)F)nc3sc4c(ncn5nc([C@@H](C)Cn6cc([N+](=O)[O-])cn6)nc45)c32)cnn1C ZINC000098046271 554137304 /nfs/dbraw/zinc/13/73/04/554137304.db2.gz HENBZOQHJBAOGO-JTQLQIEISA-N 0 0 542.507 4.523 50 5 KJBARN Cc1c(-c2cc(C(F)(F)F)nc3sc4c(ncn5nc([C@H](C)Cn6cc([N+](=O)[O-])cn6)nc45)c32)cnn1C ZINC000098046272 554137342 /nfs/dbraw/zinc/13/73/42/554137342.db2.gz HENBZOQHJBAOGO-SNVBAGLBSA-N 0 0 542.507 4.523 50 5 KJBARN Cc1c(-c2cc(C(F)(F)F)nc3sc4c(ncn5nc(C(C)(C)n6cc([N+](=O)[O-])cn6)nc45)c32)cnn1C ZINC000098046274 554137353 /nfs/dbraw/zinc/13/73/53/554137353.db2.gz BFFVEQSQNRFHFW-UHFFFAOYSA-N 0 0 542.507 4.503 50 5 KJBARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000098046520 554140315 /nfs/dbraw/zinc/14/03/15/554140315.db2.gz QCTXCMMZQOWBJC-FPWMYLJGSA-N 0 0 709.737 4.502 50 5 KJBARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000098046521 554140115 /nfs/dbraw/zinc/14/01/15/554140115.db2.gz QCTXCMMZQOWBJC-VEOKEAFVSA-N 0 0 709.737 4.502 50 5 KJBARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000098047121 554146994 /nfs/dbraw/zinc/14/69/94/554146994.db2.gz JNWPBAZTZPGDLP-STEKTNRRSA-N 0 0 627.704 4.629 50 5 KJBARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000098047122 554147070 /nfs/dbraw/zinc/14/70/70/554147070.db2.gz JNWPBAZTZPGDLP-RBXKPUFLSA-N 0 0 627.704 4.629 50 5 KJBARN Cc1ccc(OS(=O)(=O)c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)c(-n2nc3ccccc3n2)c1 ZINC000098048838 554162181 /nfs/dbraw/zinc/16/21/81/554162181.db2.gz FLTCKFIQSJPMKK-UHFFFAOYSA-N 0 0 529.534 4.657 50 5 KJBARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)nc(SCc2cccc([N+](=O)[O-])c2)n(Cc2ccccc2)c3=O)CC1 ZINC000098049130 554163326 /nfs/dbraw/zinc/16/33/26/554163326.db2.gz BTORIGSVOVGPFF-UHFFFAOYSA-N 0 0 587.658 4.560 50 5 KJBARN Cc1c(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n2C)cccc1[N+](=O)[O-] ZINC000098049150 554163530 /nfs/dbraw/zinc/16/35/30/554163530.db2.gz XESZGCFDFGRHFN-QFIPXVFZSA-N 0 0 593.666 4.632 50 5 KJBARN Cc1c(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)n2C)cccc1[N+](=O)[O-] ZINC000098049151 554163516 /nfs/dbraw/zinc/16/35/16/554163516.db2.gz XESZGCFDFGRHFN-JOCHJYFZSA-N 0 0 593.666 4.632 50 5 KJBARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)n2C)cc1 ZINC000098049241 554164367 /nfs/dbraw/zinc/16/43/67/554164367.db2.gz WOKPECJXUIGOLE-QHCPKHFHSA-N 0 0 589.703 4.802 50 5 KJBARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)n2C)cc1 ZINC000098049242 554164382 /nfs/dbraw/zinc/16/43/82/554164382.db2.gz WOKPECJXUIGOLE-HSZRJFAPSA-N 0 0 589.703 4.802 50 5 KJBARN CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)n2-c2cccc(C)c2)cc1 ZINC000098049559 554167148 /nfs/dbraw/zinc/16/71/48/554167148.db2.gz NQTJTYMXALWMLX-UHFFFAOYSA-N 0 0 560.636 4.852 50 5 KJBARN CCOc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000098049877 554169773 /nfs/dbraw/zinc/16/97/73/554169773.db2.gz SPSOYSCWEZPFED-PKTZIBPZSA-N 0 0 566.364 4.517 50 5 KJBARN CCOc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000098049878 554169736 /nfs/dbraw/zinc/16/97/36/554169736.db2.gz SPSOYSCWEZPFED-GOTSBHOMSA-N 0 0 566.364 4.517 50 5 KJBARN CCOc1ccc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000098049879 554169844 /nfs/dbraw/zinc/16/98/44/554169844.db2.gz SPSOYSCWEZPFED-DHIUTWEWSA-N 0 0 566.364 4.517 50 5 KJBARN CCOc1ccc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000098049880 554169763 /nfs/dbraw/zinc/16/97/63/554169763.db2.gz SPSOYSCWEZPFED-XZOQPEGZSA-N 0 0 566.364 4.517 50 5 KJBARN COc1ccc(Br)cc1[C@@H]1[C@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1c1ccc(Cl)cc1 ZINC000098049901 554170187 /nfs/dbraw/zinc/17/01/87/554170187.db2.gz MFHRMZAZHXMSID-RTWAWAEBSA-N 0 0 556.756 4.772 50 5 KJBARN COc1ccc(Br)cc1[C@H]1[C@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1c1ccc(Cl)cc1 ZINC000098049902 554170202 /nfs/dbraw/zinc/17/02/02/554170202.db2.gz MFHRMZAZHXMSID-SFTDATJTSA-N 0 0 556.756 4.772 50 5 KJBARN COc1ccc(Br)cc1[C@@H]1[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1c1ccc(Cl)cc1 ZINC000098049903 554170160 /nfs/dbraw/zinc/17/01/60/554170160.db2.gz MFHRMZAZHXMSID-NHCUHLMSSA-N 0 0 556.756 4.772 50 5 KJBARN COc1ccc(Br)cc1[C@H]1[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1c1ccc(Cl)cc1 ZINC000098049904 554170133 /nfs/dbraw/zinc/17/01/33/554170133.db2.gz MFHRMZAZHXMSID-LEWJYISDSA-N 0 0 556.756 4.772 50 5 KJBARN COc1ccc(Br)cc1[C@@H]1[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)N1c1ccc(Cl)cc1 ZINC000098049905 554170239 /nfs/dbraw/zinc/17/02/39/554170239.db2.gz JHZCFSZQMFQXBG-RTWAWAEBSA-N 0 0 556.756 4.772 50 5 KJBARN COc1ccc(Br)cc1[C@H]1[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)N1c1ccc(Cl)cc1 ZINC000098049906 554170193 /nfs/dbraw/zinc/17/01/93/554170193.db2.gz JHZCFSZQMFQXBG-SFTDATJTSA-N 0 0 556.756 4.772 50 5 KJBARN COc1ccc(Br)cc1[C@@H]1[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)N1c1ccc(Cl)cc1 ZINC000098049907 554170231 /nfs/dbraw/zinc/17/02/31/554170231.db2.gz JHZCFSZQMFQXBG-NHCUHLMSSA-N 0 0 556.756 4.772 50 5 KJBARN COc1ccc(Br)cc1[C@H]1[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)N1c1ccc(Cl)cc1 ZINC000098049908 554170219 /nfs/dbraw/zinc/17/02/19/554170219.db2.gz JHZCFSZQMFQXBG-LEWJYISDSA-N 0 0 556.756 4.772 50 5 KJBARN COc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2cc(Br)ccc2OC)cc1Cl ZINC000098049995 554170987 /nfs/dbraw/zinc/17/09/87/554170987.db2.gz JKQNANBCXJFCAG-YADHBBJMSA-N 0 0 586.782 4.781 50 5 KJBARN COc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cc(Br)ccc2OC)cc1Cl ZINC000098049996 554171032 /nfs/dbraw/zinc/17/10/32/554171032.db2.gz JKQNANBCXJFCAG-VXKWHMMOSA-N 0 0 586.782 4.781 50 5 KJBARN COc1ccc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2cc(Br)ccc2OC)cc1Cl ZINC000098049997 554171024 /nfs/dbraw/zinc/17/10/24/554171024.db2.gz JKQNANBCXJFCAG-FGZHOGPDSA-N 0 0 586.782 4.781 50 5 KJBARN COc1ccc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cc(Br)ccc2OC)cc1Cl ZINC000098049998 554171038 /nfs/dbraw/zinc/17/10/38/554171038.db2.gz JKQNANBCXJFCAG-FCHUYYIVSA-N 0 0 586.782 4.781 50 5 KJBARN COc1ccc(Br)cc1[C@@H]1[C@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1c1ccc(C)c(F)c1 ZINC000098050043 554171434 /nfs/dbraw/zinc/17/14/34/554171434.db2.gz VDKYWTBMFYVRGF-YADHBBJMSA-N 0 0 554.328 4.566 50 5 KJBARN COc1ccc(Br)cc1[C@H]1[C@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1c1ccc(C)c(F)c1 ZINC000098050044 554171346 /nfs/dbraw/zinc/17/13/46/554171346.db2.gz VDKYWTBMFYVRGF-VXKWHMMOSA-N 0 0 554.328 4.566 50 5 KJBARN COc1ccc(Br)cc1[C@@H]1[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1c1ccc(C)c(F)c1 ZINC000098050045 554171386 /nfs/dbraw/zinc/17/13/86/554171386.db2.gz VDKYWTBMFYVRGF-FGZHOGPDSA-N 0 0 554.328 4.566 50 5 KJBARN COc1ccc(Br)cc1[C@H]1[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1c1ccc(C)c(F)c1 ZINC000098050046 554171304 /nfs/dbraw/zinc/17/13/04/554171304.db2.gz VDKYWTBMFYVRGF-FCHUYYIVSA-N 0 0 554.328 4.566 50 5 KJBARN COc1ccc(Br)cc1[C@@H]1[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)N1c1ccc(Br)cc1 ZINC000098050051 554171341 /nfs/dbraw/zinc/17/13/41/554171341.db2.gz GSCJCBLWHDZCBC-RTWAWAEBSA-N 0 0 601.207 4.881 50 5 KJBARN COc1ccc(Br)cc1[C@H]1[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)N1c1ccc(Br)cc1 ZINC000098050052 554171368 /nfs/dbraw/zinc/17/13/68/554171368.db2.gz GSCJCBLWHDZCBC-SFTDATJTSA-N 0 0 601.207 4.881 50 5 KJBARN COc1ccc(Br)cc1[C@@H]1[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)N1c1ccc(Br)cc1 ZINC000098050053 554171365 /nfs/dbraw/zinc/17/13/65/554171365.db2.gz GSCJCBLWHDZCBC-NHCUHLMSSA-N 0 0 601.207 4.881 50 5 KJBARN COc1ccc(Br)cc1[C@H]1[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)N1c1ccc(Br)cc1 ZINC000098050054 554171828 /nfs/dbraw/zinc/17/18/28/554171828.db2.gz GSCJCBLWHDZCBC-LEWJYISDSA-N 0 0 601.207 4.881 50 5 KJBARN COc1cc([C@@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000098050059 554171758 /nfs/dbraw/zinc/17/17/58/554171758.db2.gz BGEYCBJLOIFWSC-YADHBBJMSA-N 0 0 572.357 4.680 50 5 KJBARN COc1cc([C@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000098050060 554171812 /nfs/dbraw/zinc/17/18/12/554171812.db2.gz BGEYCBJLOIFWSC-VXKWHMMOSA-N 0 0 572.357 4.680 50 5 KJBARN COc1cc([C@@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000098050061 554171706 /nfs/dbraw/zinc/17/17/06/554171706.db2.gz BGEYCBJLOIFWSC-FGZHOGPDSA-N 0 0 572.357 4.680 50 5 KJBARN COc1cc([C@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000098050062 554171668 /nfs/dbraw/zinc/17/16/68/554171668.db2.gz BGEYCBJLOIFWSC-FCHUYYIVSA-N 0 0 572.357 4.680 50 5 KJBARN CCOc1ccc([C@@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc1 ZINC000098050071 554171834 /nfs/dbraw/zinc/17/18/34/554171834.db2.gz TUQPPWSAXHQORQ-PKTZIBPZSA-N 0 0 550.365 4.817 50 5 KJBARN CCOc1ccc([C@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc1 ZINC000098050072 554171794 /nfs/dbraw/zinc/17/17/94/554171794.db2.gz TUQPPWSAXHQORQ-GOTSBHOMSA-N 0 0 550.365 4.817 50 5 KJBARN CCOc1ccc([C@@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc1 ZINC000098050073 554171716 /nfs/dbraw/zinc/17/17/16/554171716.db2.gz TUQPPWSAXHQORQ-DHIUTWEWSA-N 0 0 550.365 4.817 50 5 KJBARN CCOc1ccc([C@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc1 ZINC000098050074 554171628 /nfs/dbraw/zinc/17/16/28/554171628.db2.gz TUQPPWSAXHQORQ-XZOQPEGZSA-N 0 0 550.365 4.817 50 5 KJBARN Cc1ccc(OS(=O)(=O)c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2C)c(-n2nc3ccccc3n2)c1 ZINC000098050482 554174994 /nfs/dbraw/zinc/17/49/94/554174994.db2.gz 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100533728 554411469 /nfs/dbraw/zinc/41/14/69/554411469.db2.gz ZPEKNSKCMJPMMY-YMSBRDKKSA-N 0 0 549.992 4.620 50 5 KJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 ZINC000100563232 554418924 /nfs/dbraw/zinc/41/89/24/554418924.db2.gz RBWSEXZHUUAOKM-GRSHGNNSSA-N 0 0 540.326 4.504 50 5 KJBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br ZINC000100563268 554418882 /nfs/dbraw/zinc/41/88/82/554418882.db2.gz RBNZZOCQDLSNIT-MTJSOVHGSA-N 0 0 525.315 4.984 50 5 KJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br ZINC000100563271 554418907 /nfs/dbraw/zinc/41/89/07/554418907.db2.gz BJCUSFMSPMRPSI-NDENLUEZSA-N 0 0 541.314 4.684 50 5 KJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br ZINC000100566377 554419780 /nfs/dbraw/zinc/41/97/80/554419780.db2.gz COORFKRWGVLFDD-VXLYETTFSA-N 0 0 540.326 4.504 50 5 KJBARN COc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(Cl)c1 ZINC000100566415 554419762 /nfs/dbraw/zinc/41/97/62/554419762.db2.gz KYZQTMNBYMWTEY-SRZZPIQSSA-N 0 0 526.889 4.583 50 5 KJBARN COC(=O)c1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2cc(OC)ccc2Br)cc1 ZINC000100566446 554419991 /nfs/dbraw/zinc/41/99/91/554419991.db2.gz PEYKLHQYNXOHMI-LPYMAVHISA-N 0 0 554.353 4.562 50 5 KJBARN COc1ccc(Br)c(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000100566451 554420009 /nfs/dbraw/zinc/42/00/09/554420009.db2.gz QVESMSLZZHUNIV-CIAFOILYSA-N 0 0 541.314 4.684 50 5 KJBARN COC(=O)c1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2Br)cc1 ZINC000100566465 554420034 /nfs/dbraw/zinc/42/00/34/554420034.db2.gz KCATWNASXBEYAE-KGENOOAVSA-N 0 0 524.327 4.554 50 5 KJBARN COc1ccc(Br)c(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000100567338 554420362 /nfs/dbraw/zinc/42/03/62/554420362.db2.gz NOSKISDEFVMJOL-NHDPSOOVSA-N 0 0 541.314 4.684 50 5 KJBARN COc1ccc(C(=O)NC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)Nc2cccc(C(C)=O)c2)cc1Br ZINC000100567371 554420392 /nfs/dbraw/zinc/42/03/92/554420392.db2.gz IRHLLLAQFYFWMR-UUYOSTAYSA-N 0 0 538.354 4.978 50 5 KJBARN COC(=O)c1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000100567378 554420449 /nfs/dbraw/zinc/42/04/49/554420449.db2.gz ZZWWFTVWMCXXIJ-BKUYFWCQSA-N 0 0 554.353 4.562 50 5 KJBARN COc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br ZINC000100567382 554420351 /nfs/dbraw/zinc/42/03/51/554420351.db2.gz WMIYLCBPBNNHLP-JAIQZWGSSA-N 0 0 541.314 4.684 50 5 KJBARN COC(=O)c1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2cc(Br)ccc2OC)cc1 ZINC000100567491 554420357 /nfs/dbraw/zinc/42/03/57/554420357.db2.gz QLHJHNKSFKCGQA-BKUYFWCQSA-N 0 0 554.353 4.562 50 5 KJBARN COc1ccc(Cl)cc1C(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000100567592 554420528 /nfs/dbraw/zinc/42/05/28/554420528.db2.gz DZMARQAPCLMMOD-JAIQZWGSSA-N 0 0 526.889 4.583 50 5 KJBARN COc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(OC)c1 ZINC000100569411 554421039 /nfs/dbraw/zinc/42/10/39/554421039.db2.gz DUINKQCKDHJIKR-NHDPSOOVSA-N 0 0 526.889 4.583 50 5 KJBARN COC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cc(Br)ccc2OC)cc1 ZINC000100569437 554420996 /nfs/dbraw/zinc/42/09/96/554420996.db2.gz ATXJONSEECEBHI-BKUYFWCQSA-N 0 0 554.353 4.562 50 5 KJBARN COc1ccc(Br)cc1C(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000100569458 554421004 /nfs/dbraw/zinc/42/10/04/554421004.db2.gz KEZJIMHRWILIEU-NDENLUEZSA-N 0 0 541.314 4.684 50 5 KJBARN COc1ccc(Br)cc1C(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000100569483 554421396 /nfs/dbraw/zinc/42/13/96/554421396.db2.gz WZAAZEJEPCJGEX-JAIQZWGSSA-N 0 0 541.314 4.684 50 5 KJBARN COc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cc(Br)ccc2OC)cc1OC ZINC000100569526 554421305 /nfs/dbraw/zinc/42/13/05/554421305.db2.gz MTUYUPVBSBMAEI-NDENLUEZSA-N 0 0 556.369 4.793 50 5 KJBARN COc1ccc(Br)cc1C(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000100569534 554421350 /nfs/dbraw/zinc/42/13/50/554421350.db2.gz HPAPMYBQUVNPJU-JAIQZWGSSA-N 0 0 571.340 4.692 50 5 KJBARN COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br ZINC000100569550 554421403 /nfs/dbraw/zinc/42/14/03/554421403.db2.gz HNSHSHRASWICRO-JAIQZWGSSA-N 0 0 541.314 4.684 50 5 KJBARN COC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000100569554 554421387 /nfs/dbraw/zinc/42/13/87/554421387.db2.gz RGHCKVHIOPBEIS-BKUYFWCQSA-N 0 0 554.353 4.562 50 5 KJBARN COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000100569573 554421267 /nfs/dbraw/zinc/42/12/67/554421267.db2.gz KHIWPXLRNWKJHI-NDENLUEZSA-N 0 0 541.314 4.684 50 5 KJBARN COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Br ZINC000100569663 554421272 /nfs/dbraw/zinc/42/12/72/554421272.db2.gz GXYRFRIOXHXDHQ-JAIQZWGSSA-N 0 0 571.340 4.692 50 5 KJBARN COc1ccc(C(=O)N/C(=C\c2ccccc2[N+](=O)[O-])C(=O)Nc2ccc(Br)c(C)c2)cc1[N+](=O)[O-] ZINC000100573650 554422458 /nfs/dbraw/zinc/42/24/58/554422458.db2.gz CJMOUBWRJODBDT-UNOMPAQXSA-N 0 0 555.341 4.992 50 5 KJBARN COc1cc([C@@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000100582456 554425316 /nfs/dbraw/zinc/42/53/16/554425316.db2.gz YOORQTFEYHZQQT-YADHBBJMSA-N 0 0 572.357 4.680 50 5 KJBARN COc1cc([C@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000100582459 554425291 /nfs/dbraw/zinc/42/52/91/554425291.db2.gz YOORQTFEYHZQQT-VXKWHMMOSA-N 0 0 572.357 4.680 50 5 KJBARN COc1cc([C@@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000100582461 554425333 /nfs/dbraw/zinc/42/53/33/554425333.db2.gz YOORQTFEYHZQQT-FGZHOGPDSA-N 0 0 572.357 4.680 50 5 KJBARN COc1cc([C@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000100582464 554425306 /nfs/dbraw/zinc/42/53/06/554425306.db2.gz YOORQTFEYHZQQT-FCHUYYIVSA-N 0 0 572.357 4.680 50 5 KJBARN COc1cc([C@@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000100584252 554425664 /nfs/dbraw/zinc/42/56/64/554425664.db2.gz RAKUKSFURQCVQQ-YADHBBJMSA-N 0 0 572.357 4.680 50 5 KJBARN COc1cc([C@H]2[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000100584255 554425801 /nfs/dbraw/zinc/42/58/01/554425801.db2.gz RAKUKSFURQCVQQ-VXKWHMMOSA-N 0 0 572.357 4.680 50 5 KJBARN COc1cc([C@@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000100584259 554425718 /nfs/dbraw/zinc/42/57/18/554425718.db2.gz RAKUKSFURQCVQQ-FGZHOGPDSA-N 0 0 572.357 4.680 50 5 KJBARN COc1cc([C@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000100584262 554425806 /nfs/dbraw/zinc/42/58/06/554425806.db2.gz RAKUKSFURQCVQQ-FCHUYYIVSA-N 0 0 572.357 4.680 50 5 KJBARN COc1ccc(OC)c([C@@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)c1 ZINC000100584692 554426410 /nfs/dbraw/zinc/42/64/10/554426410.db2.gz IUOCXUUJSACAII-YADHBBJMSA-N 0 0 542.331 4.672 50 5 KJBARN COc1ccc(OC)c([C@H]2[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)c1 ZINC000100584695 554426461 /nfs/dbraw/zinc/42/64/61/554426461.db2.gz IUOCXUUJSACAII-VXKWHMMOSA-N 0 0 542.331 4.672 50 5 KJBARN COc1ccc(OC)c([C@@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)c1 ZINC000100584698 554426435 /nfs/dbraw/zinc/42/64/35/554426435.db2.gz IUOCXUUJSACAII-FGZHOGPDSA-N 0 0 542.331 4.672 50 5 KJBARN COc1ccc(OC)c([C@H]2[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)c1 ZINC000100584701 554426428 /nfs/dbraw/zinc/42/64/28/554426428.db2.gz IUOCXUUJSACAII-FCHUYYIVSA-N 0 0 542.331 4.672 50 5 KJBARN Cc1ccc(N2C(=O)[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2cccc(Br)c2)cc1C ZINC000100586019 554426795 /nfs/dbraw/zinc/42/67/95/554426795.db2.gz RRRZDEANPWCVPK-YADHBBJMSA-N 0 0 520.339 4.727 50 5 KJBARN Cc1ccc(N2C(=O)[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2cccc(Br)c2)cc1C ZINC000100586022 554426710 /nfs/dbraw/zinc/42/67/10/554426710.db2.gz RRRZDEANPWCVPK-VXKWHMMOSA-N 0 0 520.339 4.727 50 5 KJBARN Cc1ccc(N2C(=O)[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2cccc(Br)c2)cc1C ZINC000100586026 554426649 /nfs/dbraw/zinc/42/66/49/554426649.db2.gz RRRZDEANPWCVPK-FGZHOGPDSA-N 0 0 520.339 4.727 50 5 KJBARN Cc1ccc(N2C(=O)[C@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2cccc(Br)c2)cc1C ZINC000100586029 554426618 /nfs/dbraw/zinc/42/66/18/554426618.db2.gz RRRZDEANPWCVPK-FCHUYYIVSA-N 0 0 520.339 4.727 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100591814 554428571 /nfs/dbraw/zinc/42/85/71/554428571.db2.gz HIUZTMXPNJIWJH-CBYYHRJHSA-N 0 0 564.019 4.928 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100591817 554428585 /nfs/dbraw/zinc/42/85/85/554428585.db2.gz HIUZTMXPNJIWJH-PNZYDNNZSA-N 0 0 564.019 4.928 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000100592476 554428800 /nfs/dbraw/zinc/42/88/00/554428800.db2.gz WDJUCQUVIMWAFO-RISWYLRJSA-N 0 0 543.601 4.583 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000100593072 554428741 /nfs/dbraw/zinc/42/87/41/554428741.db2.gz REANZZSSFUCINS-LMSRTUJASA-N 0 0 575.668 4.997 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100617678 554432988 /nfs/dbraw/zinc/43/29/88/554432988.db2.gz OKOPLPUWZQYXAR-ZSJKCPIUSA-N 0 0 610.044 4.637 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100617681 554432845 /nfs/dbraw/zinc/43/28/45/554432845.db2.gz OKOPLPUWZQYXAR-QARYAGPDSA-N 0 0 610.044 4.637 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100618695 554433845 /nfs/dbraw/zinc/43/38/45/554433845.db2.gz FGEHOSSWENDUQZ-CBYYHRJHSA-N 0 0 580.018 4.629 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100618702 554433844 /nfs/dbraw/zinc/43/38/44/554433844.db2.gz FGEHOSSWENDUQZ-PNZYDNNZSA-N 0 0 580.018 4.629 50 5 KJBARN CSCC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000100630418 554435482 /nfs/dbraw/zinc/43/54/82/554435482.db2.gz IYOPCPHPSUPNQU-IOBSORRCSA-N 0 0 527.602 4.547 50 5 KJBARN COC(=O)c1cccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccc(Br)cc2)c1 ZINC000100632852 554435455 /nfs/dbraw/zinc/43/54/55/554435455.db2.gz YZQBGPDEHTWULJ-FYJGNVAPSA-N 0 0 524.327 4.554 50 5 KJBARN COC(=O)c1cccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(Br)cc2)c1 ZINC000100632856 554435490 /nfs/dbraw/zinc/43/54/90/554435490.db2.gz NRHFHJXZQVZCQF-FYJGNVAPSA-N 0 0 524.327 4.554 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000100641595 554436029 /nfs/dbraw/zinc/43/60/29/554436029.db2.gz MIOSMIXKGLLBLP-MGSPXPDISA-N 0 0 549.992 4.620 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000100641599 554435991 /nfs/dbraw/zinc/43/59/91/554435991.db2.gz MIOSMIXKGLLBLP-XPCGLTFESA-N 0 0 549.992 4.620 50 5 KJBARN COc1ccc(N[C@H](NC(=O)c2cccc(I)c2)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000100666660 554440238 /nfs/dbraw/zinc/44/02/38/554440238.db2.gz RONYPYJXKXSVEU-OAHLLOKOSA-N 0 0 544.560 4.746 50 5 KJBARN COc1ccc(N[C@@H](NC(=O)c2cccc(I)c2)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000100666664 554440196 /nfs/dbraw/zinc/44/01/96/554440196.db2.gz RONYPYJXKXSVEU-HNNXBMFYSA-N 0 0 544.560 4.746 50 5 KJBARN CCOc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000100681943 554447867 /nfs/dbraw/zinc/44/78/67/554447867.db2.gz MTFSDBRXSFRIAR-UHFFFAOYSA-N 0 0 535.582 4.893 50 5 KJBARN CCc1ccc(OCC(=O)N[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000100683466 554448063 /nfs/dbraw/zinc/44/80/63/554448063.db2.gz YDDGKHWEMRRNIC-QGZVFWFLSA-N 0 0 540.256 4.989 50 5 KJBARN CCc1ccc(OCC(=O)N[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000100683470 554448414 /nfs/dbraw/zinc/44/84/14/554448414.db2.gz YDDGKHWEMRRNIC-KRWDZBQOSA-N 0 0 540.256 4.989 50 5 KJBARN COC(=O)c1cccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2Br)c1 ZINC000100690506 554449897 /nfs/dbraw/zinc/44/98/97/554449897.db2.gz DGSFKWJDJUTWJB-FYJGNVAPSA-N 0 0 524.327 4.554 50 5 KJBARN COc1ccc(NC(=S)N[C@H](NC(=O)c2cccc(I)c2)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000100694031 554450515 /nfs/dbraw/zinc/45/05/15/554450515.db2.gz WYUFSBZUOJCMRJ-HNNXBMFYSA-N 0 0 603.653 4.621 50 5 KJBARN COc1ccc(NC(=S)N[C@@H](NC(=O)c2cccc(I)c2)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000100694034 554450511 /nfs/dbraw/zinc/45/05/11/554450511.db2.gz WYUFSBZUOJCMRJ-OAHLLOKOSA-N 0 0 603.653 4.621 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@H](NC(=O)c1cccc(I)c1)C(Cl)(Cl)Cl ZINC000100694048 554450534 /nfs/dbraw/zinc/45/05/34/554450534.db2.gz WVCDEMSTLHYZNK-HNNXBMFYSA-N 0 0 603.653 4.621 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@@H](NC(=O)c1cccc(I)c1)C(Cl)(Cl)Cl ZINC000100694050 554450512 /nfs/dbraw/zinc/45/05/12/554450512.db2.gz WVCDEMSTLHYZNK-OAHLLOKOSA-N 0 0 603.653 4.621 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@H](NC(=O)c1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000100694211 554450516 /nfs/dbraw/zinc/45/05/16/554450516.db2.gz BBNIMRQOOISMJQ-HNNXBMFYSA-N 0 0 603.653 4.621 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@@H](NC(=O)c1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000100694214 554450508 /nfs/dbraw/zinc/45/05/08/554450508.db2.gz BBNIMRQOOISMJQ-OAHLLOKOSA-N 0 0 603.653 4.621 50 5 KJBARN O=C(N[C@@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1cccc(I)c1 ZINC000100694280 554450514 /nfs/dbraw/zinc/45/05/14/554450514.db2.gz ITNJCIFGXQLXKP-AWEZNQCLSA-N 0 0 573.627 4.612 50 5 KJBARN O=C(N[C@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1cccc(I)c1 ZINC000100694283 554450527 /nfs/dbraw/zinc/45/05/27/554450527.db2.gz ITNJCIFGXQLXKP-CQSZACIVSA-N 0 0 573.627 4.612 50 5 KJBARN COc1ccc(NC(=S)N[C@H](NC(=O)c2ccc(I)cc2)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000100695348 554450728 /nfs/dbraw/zinc/45/07/28/554450728.db2.gz FQBQGBALCPFBHO-HNNXBMFYSA-N 0 0 603.653 4.621 50 5 KJBARN COc1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(I)cc2)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000100695352 554450766 /nfs/dbraw/zinc/45/07/66/554450766.db2.gz FQBQGBALCPFBHO-OAHLLOKOSA-N 0 0 603.653 4.621 50 5 KJBARN COc1ccccc1NC(=O)c1nc2ccc([N+](=O)[O-])cc2nc1CC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000100721419 554455439 /nfs/dbraw/zinc/45/54/39/554455439.db2.gz HSNQYPJHEHZREI-UHFFFAOYSA-N 0 0 592.406 4.929 50 5 KJBARN O=C(N[C@H](Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1cccc(I)c1 ZINC000100729406 554458992 /nfs/dbraw/zinc/45/89/92/554458992.db2.gz VHFFVWLOCQDCJO-AWEZNQCLSA-N 0 0 514.534 4.738 50 5 KJBARN O=C(N[C@@H](Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1cccc(I)c1 ZINC000100729411 554459006 /nfs/dbraw/zinc/45/90/06/554459006.db2.gz VHFFVWLOCQDCJO-CQSZACIVSA-N 0 0 514.534 4.738 50 5 KJBARN CCOC(=O)c1c2cc(-c3ccc(OC)c(OC)c3)ncn2c(C(=O)c2ccccc2[N+](=O)[O-])c1C(=O)OCC ZINC000100735068 571361134 /nfs/dbraw/zinc/36/11/34/571361134.db2.gz ODDLBSKMYCBENK-UHFFFAOYSA-N 0 0 547.520 4.511 50 5 KJBARN Cc1ccccc1NC(=O)c1nc2ccccc2nc1CC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000100742042 554463156 /nfs/dbraw/zinc/46/31/56/554463156.db2.gz MONMGNLKDWLQEE-UHFFFAOYSA-N 0 0 537.454 4.868 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000100745943 554464345 /nfs/dbraw/zinc/46/43/45/554464345.db2.gz WORWAZJZIQUEGR-UPWSPCOFSA-N 0 0 603.653 4.601 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000100745948 554464403 /nfs/dbraw/zinc/46/44/03/554464403.db2.gz WORWAZJZIQUEGR-ZJTZAHLKSA-N 0 0 603.653 4.601 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000100746095 554464349 /nfs/dbraw/zinc/46/43/49/554464349.db2.gz AQTJWHJASGOGIA-CBYYHRJHSA-N 0 0 580.018 4.629 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000100746097 554464408 /nfs/dbraw/zinc/46/44/08/554464408.db2.gz AQTJWHJASGOGIA-PNZYDNNZSA-N 0 0 580.018 4.629 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100746306 554464829 /nfs/dbraw/zinc/46/48/29/554464829.db2.gz IDUAZXKRCHZMHC-ZSJKCPIUSA-N 0 0 610.044 4.637 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100746310 554465003 /nfs/dbraw/zinc/46/50/03/554465003.db2.gz IDUAZXKRCHZMHC-QARYAGPDSA-N 0 0 610.044 4.637 50 5 KJBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000100816115 554476452 /nfs/dbraw/zinc/47/64/52/554476452.db2.gz FGKHPUNUWKPGAZ-UHFFFAOYSA-N 0 0 520.592 4.718 50 5 KJBARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100816724 554476760 /nfs/dbraw/zinc/47/67/60/554476760.db2.gz FYKHQWWMSHNISD-UHFFFAOYSA-N 0 0 586.552 4.864 50 5 KJBARN Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000100816750 554476773 /nfs/dbraw/zinc/47/67/73/554476773.db2.gz RUKPZKHTASXVPF-UHFFFAOYSA-N 0 0 559.633 4.754 50 5 KJBARN Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3F)n2-c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000100816751 554476762 /nfs/dbraw/zinc/47/67/62/554476762.db2.gz SAHAOEKKBVJANB-UHFFFAOYSA-N 0 0 554.991 4.937 50 5 KJBARN Cc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000100816753 554476797 /nfs/dbraw/zinc/47/67/97/554476797.db2.gz AVJRCZBTYSUFOZ-UHFFFAOYSA-N 0 0 563.039 4.749 50 5 KJBARN Cc1ccc(C)c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2ccc(F)cc2)c1 ZINC000100816756 554476788 /nfs/dbraw/zinc/47/67/88/554476788.db2.gz QXOXUEINOMFMND-UHFFFAOYSA-N 0 0 548.600 4.901 50 5 KJBARN Cc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCc4ccccc43)n2-c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000100816760 554476802 /nfs/dbraw/zinc/47/68/02/554476802.db2.gz NOJJUAHYJVMGBE-UHFFFAOYSA-N 0 0 560.611 4.625 50 5 KJBARN Cc1c(C(=O)NCc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000100816765 554476731 /nfs/dbraw/zinc/47/67/31/554476731.db2.gz WNFRAWQWXKXYIG-UHFFFAOYSA-N 0 0 559.633 4.754 50 5 KJBARN CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)n2-c2cccc(Cl)c2)s1 ZINC000100816767 554476808 /nfs/dbraw/zinc/47/68/08/554476808.db2.gz KRXQCTGCCMSNGA-UHFFFAOYSA-N 0 0 605.127 4.762 50 5 KJBARN CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)n2-c2ccc(F)cc2)cc1 ZINC000100816772 554476738 /nfs/dbraw/zinc/47/67/38/554476738.db2.gz ZYUAGSUXLLNBGA-UHFFFAOYSA-N 0 0 564.599 4.683 50 5 KJBARN O=C(CSc1nnc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1)Nc1nccs1 ZINC000100816928 554476984 /nfs/dbraw/zinc/47/69/84/554476984.db2.gz OTGOIXPHLWQATA-UHFFFAOYSA-N 0 0 561.026 4.770 50 5 KJBARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc([N+](=O)[O-])c4C)n3C)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000100817045 554477267 /nfs/dbraw/zinc/47/72/67/554477267.db2.gz USTFVYNYEAQWBW-MHZLTWQESA-N 0 0 613.700 4.749 50 5 KJBARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc([N+](=O)[O-])c4C)n3C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000100817047 554477256 /nfs/dbraw/zinc/47/72/56/554477256.db2.gz USTFVYNYEAQWBW-HHHXNRCGSA-N 0 0 613.700 4.749 50 5 KJBARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc([N+](=O)[O-])c4C)n3C)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000100817055 554477272 /nfs/dbraw/zinc/47/72/72/554477272.db2.gz GQCMDMLNUFGVAZ-SANMLTNESA-N 0 0 617.663 4.579 50 5 KJBARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc([N+](=O)[O-])c4C)n3C)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000100817056 554477288 /nfs/dbraw/zinc/47/72/88/554477288.db2.gz GQCMDMLNUFGVAZ-AREMUKBSSA-N 0 0 617.663 4.579 50 5 KJBARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)n2C)cc1 ZINC000100817063 554477292 /nfs/dbraw/zinc/47/72/92/554477292.db2.gz DGUHBLYRWUWYNN-QHCPKHFHSA-N 0 0 605.702 4.502 50 5 KJBARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)n2C)cc1 ZINC000100817064 554477290 /nfs/dbraw/zinc/47/72/90/554477290.db2.gz DGUHBLYRWUWYNN-HSZRJFAPSA-N 0 0 605.702 4.502 50 5 KJBARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n1-c1ccc(F)cc1)CCC2 ZINC000100817229 554477490 /nfs/dbraw/zinc/47/74/90/554477490.db2.gz JQMCKXDEKPCPKC-UHFFFAOYSA-N 0 0 624.676 4.702 50 5 KJBARN CCCCn1c(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)nnc1SCC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000100817245 554477477 /nfs/dbraw/zinc/47/74/77/554477477.db2.gz WUUXGRMWXMTGSX-UHFFFAOYSA-N 0 0 600.723 4.683 50 5 KJBARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3cccs3)n1-c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000100817261 554477401 /nfs/dbraw/zinc/47/74/01/554477401.db2.gz IJOBBOCSWMDUEU-UHFFFAOYSA-N 0 0 612.715 4.625 50 5 KJBARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccco3)n1-c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000100817267 554477802 /nfs/dbraw/zinc/47/78/02/554477802.db2.gz GURPTNBCPFPALI-UHFFFAOYSA-N 0 0 610.674 4.546 50 5 KJBARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccccc3F)n1-c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000100817282 554477742 /nfs/dbraw/zinc/47/77/42/554477742.db2.gz ROICUPXGORQTOA-UHFFFAOYSA-N 0 0 624.676 4.702 50 5 KJBARN CCCCn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000100817305 554477800 /nfs/dbraw/zinc/47/78/00/554477800.db2.gz NQWPCYWNGDKQLI-INIZCTEOSA-N 0 0 600.723 4.763 50 5 KJBARN CCCCn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1S[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000100817307 554477762 /nfs/dbraw/zinc/47/77/62/554477762.db2.gz NQWPCYWNGDKQLI-MRXNPFEDSA-N 0 0 600.723 4.763 50 5 KJBARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n1C)CCCCC2 ZINC000100817320 554477804 /nfs/dbraw/zinc/47/78/04/554477804.db2.gz KEGVOUAPTHSMTB-MRXNPFEDSA-N 0 0 600.723 4.588 50 5 KJBARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n1C)CCCCC2 ZINC000100817322 554477807 /nfs/dbraw/zinc/47/78/07/554477807.db2.gz KEGVOUAPTHSMTB-INIZCTEOSA-N 0 0 600.723 4.588 50 5 KJBARN COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000100819001 554478716 /nfs/dbraw/zinc/47/87/16/554478716.db2.gz FDNLXCJVHYDAER-QFIPXVFZSA-N 0 0 527.917 4.992 50 5 KJBARN COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000100819002 554478734 /nfs/dbraw/zinc/47/87/34/554478734.db2.gz FDNLXCJVHYDAER-JOCHJYFZSA-N 0 0 527.917 4.992 50 5 KJBARN COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CC2 ZINC000100819023 554478618 /nfs/dbraw/zinc/47/86/18/554478618.db2.gz DSBYCHJITJWABV-MHZLTWQESA-N 0 0 595.674 4.605 50 5 KJBARN COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CC2 ZINC000100819024 554478994 /nfs/dbraw/zinc/47/89/94/554478994.db2.gz DSBYCHJITJWABV-HHHXNRCGSA-N 0 0 595.674 4.605 50 5 KJBARN COC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000100819048 554479053 /nfs/dbraw/zinc/47/90/53/554479053.db2.gz ODFRYYGVHGNSQT-QHCPKHFHSA-N 0 0 540.956 4.871 50 5 KJBARN COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000100819049 554479019 /nfs/dbraw/zinc/47/90/19/554479019.db2.gz ODFRYYGVHGNSQT-HSZRJFAPSA-N 0 0 540.956 4.871 50 5 KJBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000100820960 554480429 /nfs/dbraw/zinc/48/04/29/554480429.db2.gz XYSQPYDRJKJYCZ-SSFDOTEQSA-N 0 0 606.010 4.502 50 5 KJBARN CCCCOc1ccc(C(=O)/N=c2\c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2CCCC)cc1 ZINC000100823300 554481366 /nfs/dbraw/zinc/48/13/66/554481366.db2.gz YGOYXCCAAJEKDT-GKPLWNPISA-N 0 0 516.598 4.546 50 5 KJBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1cc2ccccc2o1 ZINC000100823319 554481330 /nfs/dbraw/zinc/48/13/30/554481330.db2.gz WDBWFVFYHZRRPO-GKPLWNPISA-N 0 0 510.550 4.818 50 5 KJBARN CCOc1ccc(C(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)cc1OCC ZINC000100824119 554481771 /nfs/dbraw/zinc/48/17/71/554481771.db2.gz NKEPVYBJWBCMQB-UHFFFAOYSA-N 0 0 551.577 4.938 50 5 KJBARN Cc1nn(-c2ccccc2)c(OC(=O)c2cccc(Br)c2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100824125 554481743 /nfs/dbraw/zinc/48/17/43/554481743.db2.gz CQOZHTHDTREMHV-UHFFFAOYSA-N 0 0 542.367 4.903 50 5 KJBARN O=C(NCc1cccnc1)/C(=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000100824126 554481749 /nfs/dbraw/zinc/48/17/49/554481749.db2.gz RTYQXQJTXUZDIP-VEILYXNESA-N 0 0 544.571 4.930 50 5 KJBARN Cc1nn(-c2ccccc2)c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100824128 554481712 /nfs/dbraw/zinc/48/17/12/554481712.db2.gz IKWIZBLWFAIFIJ-UHFFFAOYSA-N 0 0 542.913 4.703 50 5 KJBARN Cc1nn(-c2ccccc2)c(OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100824129 554481733 /nfs/dbraw/zinc/48/17/33/554481733.db2.gz AQBSDLDPBGXORC-UHFFFAOYSA-N 0 0 542.913 4.703 50 5 KJBARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100824130 554481755 /nfs/dbraw/zinc/48/17/55/554481755.db2.gz DWPWKKZCRACOTA-UHFFFAOYSA-N 0 0 542.913 4.703 50 5 KJBARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000100826154 554481938 /nfs/dbraw/zinc/48/19/38/554481938.db2.gz QYIXGCVVLVHDDM-QHCPKHFHSA-N 0 0 549.030 4.550 50 5 KJBARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000100826157 554481954 /nfs/dbraw/zinc/48/19/54/554481954.db2.gz QYIXGCVVLVHDDM-HSZRJFAPSA-N 0 0 549.030 4.550 50 5 KJBARN O=c1c2cc(I)ccc2nc(/C=C/c2ccc3c(c2)OCO3)n1-c1cccc([N+](=O)[O-])c1 ZINC000100826866 554482296 /nfs/dbraw/zinc/48/22/96/554482296.db2.gz OFELOFBUEMTLHK-WEVVVXLNSA-N 0 0 539.285 4.798 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100839422 554487431 /nfs/dbraw/zinc/48/74/31/554487431.db2.gz MFIVKZZNFTVOCE-FWESEHMYSA-N 0 0 621.675 4.568 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100839425 554487396 /nfs/dbraw/zinc/48/73/96/554487396.db2.gz MFIVKZZNFTVOCE-OINPTKSXSA-N 0 0 621.675 4.568 50 5 KJBARN CCOc1ccc(-n2c(CNC(=O)c3ccc([N+](=O)[O-])cc3)nnc2SCC(=O)N2CCCc3ccccc32)cc1 ZINC000100840365 554488484 /nfs/dbraw/zinc/48/84/84/554488484.db2.gz CTIHYJPCXPVEBN-UHFFFAOYSA-N 0 0 572.647 4.576 50 5 KJBARN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000100840398 554488854 /nfs/dbraw/zinc/48/88/54/554488854.db2.gz ZXJBMEMWLWKZSN-KIHHCIJBSA-N 0 0 544.361 4.756 50 5 KJBARN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000100840399 554488728 /nfs/dbraw/zinc/48/87/28/554488728.db2.gz ZXJBMEMWLWKZSN-KEZOAJOQSA-N 0 0 544.361 4.756 50 5 KJBARN Cc1ccc2c(c1)/C(=C/c1nc3ccc(I)cc3c(=O)n1-c1ccc([N+](=O)[O-])cc1)C(=O)N2 ZINC000100841823 554489461 /nfs/dbraw/zinc/48/94/61/554489461.db2.gz REOQCVAEAMVSDE-PDGQHHTCSA-N 0 0 550.312 4.700 50 5 KJBARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000100841923 554489505 /nfs/dbraw/zinc/48/95/05/554489505.db2.gz HAKRIPZRSKONAJ-MKWGYRPRSA-N 0 0 557.628 4.874 50 5 KJBARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000100841924 554489400 /nfs/dbraw/zinc/48/94/00/554489400.db2.gz HAKRIPZRSKONAJ-OCEWKHMESA-N 0 0 557.628 4.874 50 5 KJBARN O=C(NCc1cccnc1)/C(=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000100842079 554489424 /nfs/dbraw/zinc/48/94/24/554489424.db2.gz ZUSGPXKKCKVEOO-VEILYXNESA-N 0 0 544.571 4.930 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000100842549 554490017 /nfs/dbraw/zinc/49/00/17/554490017.db2.gz OMSMCQLJXGDBEC-HTBGUEMOSA-N 0 0 541.585 4.632 50 5 KJBARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1[N+](=O)[O-] ZINC000100847557 554491529 /nfs/dbraw/zinc/49/15/29/554491529.db2.gz AGNGWPYPNGURCC-UCQKPKSFSA-N 0 0 556.991 4.789 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000100863605 554496473 /nfs/dbraw/zinc/49/64/73/554496473.db2.gz ASQJKEAMNOQTQZ-NDBXHCKUSA-N 0 0 529.936 4.655 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000100863609 554496534 /nfs/dbraw/zinc/49/65/34/554496534.db2.gz ASQJKEAMNOQTQZ-LIONHTAISA-N 0 0 529.936 4.655 50 5 KJBARN COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc21 ZINC000100869566 554497573 /nfs/dbraw/zinc/49/75/73/554497573.db2.gz FRMOMPDFUKLOAF-UHFFFAOYSA-N 0 0 553.505 4.688 50 5 KJBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=CN1[C@@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000100875053 554503387 /nfs/dbraw/zinc/50/33/87/554503387.db2.gz XVJOAUBMQQEVCZ-NDBXHCKUSA-N 0 0 528.952 4.711 50 5 KJBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=CN1[C@@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000100875057 554503333 /nfs/dbraw/zinc/50/33/33/554503333.db2.gz XVJOAUBMQQEVCZ-LIONHTAISA-N 0 0 528.952 4.711 50 5 KJBARN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c12 ZINC000100890991 554512022 /nfs/dbraw/zinc/51/20/22/554512022.db2.gz GBXHICJIOCDYCD-UHFFFAOYSA-N 0 0 597.701 4.832 50 5 KJBARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCCN(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)c12 ZINC000100891044 554511926 /nfs/dbraw/zinc/51/19/26/554511926.db2.gz MKTPJIYFNSGFME-UHFFFAOYSA-N 0 0 584.102 4.785 50 5 KJBARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c12 ZINC000100891243 554512314 /nfs/dbraw/zinc/51/23/14/554512314.db2.gz UBIPTLKXXISEDI-UHFFFAOYSA-N 0 0 583.674 4.524 50 5 KJBARN O=C(N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccc1I ZINC000100912035 554517897 /nfs/dbraw/zinc/51/78/97/554517897.db2.gz MWPOFAXNPBWJKT-AWEZNQCLSA-N 0 0 573.627 4.612 50 5 KJBARN O=C(N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccc1I ZINC000100912039 554517942 /nfs/dbraw/zinc/51/79/42/554517942.db2.gz MWPOFAXNPBWJKT-CQSZACIVSA-N 0 0 573.627 4.612 50 5 KJBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCN(c3c4ccccc4c([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c2ccccc21 ZINC000100947918 554536436 /nfs/dbraw/zinc/53/64/36/554536436.db2.gz FGDAMQDMSMCLNT-UHFFFAOYSA-N 0 0 518.442 4.952 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12 ZINC000100953323 554538108 /nfs/dbraw/zinc/53/81/08/554538108.db2.gz RGBVBOYPRRFCQI-NEWJYFPISA-N 0 0 549.370 4.930 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000100957566 554540458 /nfs/dbraw/zinc/54/04/58/554540458.db2.gz STKWEIMRVZYYKS-YCAMKHIRSA-N 0 0 548.477 4.642 50 5 KJBARN O=c1/c(=C\c2cc(Br)ccc2O)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000100958312 554541431 /nfs/dbraw/zinc/54/14/31/554541431.db2.gz PGSCWQKKEULUAG-AQIZGWBQSA-N 0 0 560.429 4.695 50 5 KJBARN O=c1/c(=C\c2cc(Br)ccc2O)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000100958316 554541369 /nfs/dbraw/zinc/54/13/69/554541369.db2.gz PGSCWQKKEULUAG-ZDGAQAAHSA-N 0 0 560.429 4.695 50 5 KJBARN O=c1/c(=C\c2ccc(O)c(Br)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000100958370 554541413 /nfs/dbraw/zinc/54/14/13/554541413.db2.gz SXUREMOKUCYGDJ-YXDQGSNCSA-N 0 0 560.429 4.695 50 5 KJBARN O=c1/c(=C\c2ccc(O)c(Br)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000100958375 554541364 /nfs/dbraw/zinc/54/13/64/554541364.db2.gz SXUREMOKUCYGDJ-ITIZVALFSA-N 0 0 560.429 4.695 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12 ZINC000100966019 554543208 /nfs/dbraw/zinc/54/32/08/554543208.db2.gz WOKZCSUWNAFMOO-LAJGZZDBSA-N 0 0 530.540 4.777 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12 ZINC000100984795 554548233 /nfs/dbraw/zinc/54/82/33/554548233.db2.gz CYZDQXZHZIFUOJ-NEWJYFPISA-N 0 0 548.477 4.642 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000100996089 554551019 /nfs/dbraw/zinc/55/10/19/554551019.db2.gz RRFKSHQWXVOHHH-HPQIJTKRSA-N 0 0 530.540 4.777 50 5 KJBARN O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccccc1[N+](=O)[O-] ZINC000101005095 554553530 /nfs/dbraw/zinc/55/35/30/554553530.db2.gz ICNHDEHWKWOMJO-RMKNXTFCSA-N 0 0 530.234 4.570 50 5 KJBARN O=C(N[C@@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1ccccc1I ZINC000101022378 554561988 /nfs/dbraw/zinc/56/19/88/554561988.db2.gz NMSQEWXPBZRTKD-AWEZNQCLSA-N 0 0 573.627 4.612 50 5 KJBARN O=C(N[C@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1ccccc1I ZINC000101022379 554561977 /nfs/dbraw/zinc/56/19/77/554561977.db2.gz NMSQEWXPBZRTKD-CQSZACIVSA-N 0 0 573.627 4.612 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@H](NC(=O)c1ccccc1I)C(Cl)(Cl)Cl ZINC000101022381 554561941 /nfs/dbraw/zinc/56/19/41/554561941.db2.gz BKECYHDSCFPUDH-HNNXBMFYSA-N 0 0 603.653 4.621 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@@H](NC(=O)c1ccccc1I)C(Cl)(Cl)Cl ZINC000101022383 554561951 /nfs/dbraw/zinc/56/19/51/554561951.db2.gz BKECYHDSCFPUDH-OAHLLOKOSA-N 0 0 603.653 4.621 50 5 KJBARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1[N+](=O)[O-] ZINC000101027182 554564052 /nfs/dbraw/zinc/56/40/52/554564052.db2.gz RQVORRUDUBLHTO-RQAATEJQSA-N 0 0 548.584 4.639 50 5 KJBARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc(Cl)ccc3[N+](=O)[O-])co2)s1 ZINC000101036454 554565502 /nfs/dbraw/zinc/56/55/02/554565502.db2.gz PXXTZPWONHKLQQ-UHFFFAOYSA-N 0 0 538.991 4.939 50 5 KJBARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)co2)s1 ZINC000101036457 554565519 /nfs/dbraw/zinc/56/55/19/554565519.db2.gz IPAGBRJRBLQBPX-UHFFFAOYSA-N 0 0 538.991 4.939 50 5 KJBARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)co2)s1 ZINC000101036460 554565531 /nfs/dbraw/zinc/56/55/31/554565531.db2.gz GXKNWDPYMYXXMZ-UHFFFAOYSA-N 0 0 538.991 4.939 50 5 KJBARN Cc1c(C(=O)Oc2coc(CSc3nnc(NC(=O)c4cccs4)s3)cc2=O)cccc1[N+](=O)[O-] ZINC000101036565 554565549 /nfs/dbraw/zinc/56/55/49/554565549.db2.gz LVKLRKXATSZCJT-UHFFFAOYSA-N 0 0 530.565 4.533 50 5 KJBARN Cc1ccc(C(=O)Oc2coc(CSc3nnc(NC(=O)c4cccs4)s3)cc2=O)cc1[N+](=O)[O-] ZINC000101036568 554565784 /nfs/dbraw/zinc/56/57/84/554565784.db2.gz NUCHUXVZFBDPSP-UHFFFAOYSA-N 0 0 530.565 4.533 50 5 KJBARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc(Cl)ccc3[N+](=O)[O-])co2)s1)c1cccs1 ZINC000101036569 554565789 /nfs/dbraw/zinc/56/57/89/554565789.db2.gz MABBVQNZPAHLDE-UHFFFAOYSA-N 0 0 550.983 4.878 50 5 KJBARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)co2)s1)c1cccs1 ZINC000101036570 554565780 /nfs/dbraw/zinc/56/57/80/554565780.db2.gz LXACUAKLVHBUDC-UHFFFAOYSA-N 0 0 550.983 4.878 50 5 KJBARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)co2)s1)c1cccs1 ZINC000101036573 554565747 /nfs/dbraw/zinc/56/57/47/554565747.db2.gz VGJLPNYMGNHZMP-UHFFFAOYSA-N 0 0 550.983 4.878 50 5 KJBARN O=c1/c(=C\c2ccc(Br)cc2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000101063590 554570976 /nfs/dbraw/zinc/57/09/76/554570976.db2.gz HPIKIGBZQUXHGG-AQIZGWBQSA-N 0 0 544.430 4.989 50 5 KJBARN O=c1/c(=C\c2ccc(Br)cc2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000101063591 554570929 /nfs/dbraw/zinc/57/09/29/554570929.db2.gz HPIKIGBZQUXHGG-ZDGAQAAHSA-N 0 0 544.430 4.989 50 5 KJBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Br)cc3)N3c4ccccc4C=C[C@H]23)C1O ZINC000101064486 554572035 /nfs/dbraw/zinc/57/20/35/554572035.db2.gz DETZSMXXXYDDKV-DFXJHMEVSA-N 0 0 558.388 4.938 50 5 KJBARN O=C(C1=C2C(O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12)c1cccc([N+](=O)[O-])c1 ZINC000101076808 554577735 /nfs/dbraw/zinc/57/77/35/554577735.db2.gz CUVMCQWZQGOKDL-YCAMKHIRSA-N 0 0 517.900 4.660 50 5 KJBARN Cc1cccn2c1nc1c(cc(S(=O)(=O)c3ccc(Br)cc3)c(=N)n1C1CCCCC1)c2=O ZINC000101083691 554579975 /nfs/dbraw/zinc/57/99/75/554579975.db2.gz PMSCXXSQHAKGFT-UHFFFAOYSA-N 0 0 527.444 4.538 50 5 KJBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101097004 554584681 /nfs/dbraw/zinc/58/46/81/554584681.db2.gz XDJVBOVYZPVUFC-ZLNRFVROSA-N 0 0 544.347 4.970 50 5 KJBARN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101101604 554638819 /nfs/dbraw/zinc/63/88/19/554638819.db2.gz JXJTWXJZSZYYJA-ZLNRFVROSA-N 0 0 522.355 4.971 50 5 KJBARN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101108137 554640467 /nfs/dbraw/zinc/64/04/67/554640467.db2.gz RXTZBZXMDAUWOR-CYXNTTPDSA-N 0 0 517.538 4.833 50 5 KJBARN Cc1cccn2c1nc1c(cc(S(=O)(=O)c3ccc(Cl)cc3)c(=N)n1Cc1ccccc1Cl)c2=O ZINC000101111065 554641657 /nfs/dbraw/zinc/64/16/57/554641657.db2.gz LGNMEFBXMTWKEY-UHFFFAOYSA-N 0 0 525.417 4.625 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000101128723 554646842 /nfs/dbraw/zinc/64/68/42/554646842.db2.gz MFIVKZZNFTVOCE-AHNSQEAUSA-N 0 0 621.675 4.568 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000101128725 554646831 /nfs/dbraw/zinc/64/68/31/554646831.db2.gz MFIVKZZNFTVOCE-ZNRKBWGRSA-N 0 0 621.675 4.568 50 5 KJBARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1[N+](=O)[O-] ZINC000101129641 554648642 /nfs/dbraw/zinc/64/86/42/554648642.db2.gz AGNGWPYPNGURCC-OEAKJJBVSA-N 0 0 556.991 4.789 50 5 KJBARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000101131110 554650258 /nfs/dbraw/zinc/65/02/58/554650258.db2.gz XXLSDQIUWCIQLW-OCEWKHMESA-N 0 0 557.628 4.874 50 5 KJBARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000101131116 554650274 /nfs/dbraw/zinc/65/02/74/554650274.db2.gz XXLSDQIUWCIQLW-MKWGYRPRSA-N 0 0 557.628 4.874 50 5 KJBARN Cc1nnc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccc(OC(F)F)cc2)s1 ZINC000101140500 554652964 /nfs/dbraw/zinc/65/29/64/554652964.db2.gz BIDHHZUAIFIQLI-UHFFFAOYSA-N 0 0 518.527 4.940 50 5 KJBARN Cc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c43)C2=O)cc1 ZINC000101141335 554653489 /nfs/dbraw/zinc/65/34/89/554653489.db2.gz CMVKIJUXMWDVPY-UHFFFAOYSA-N 0 0 532.490 4.566 50 5 KJBARN Cc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1 ZINC000101148374 554656563 /nfs/dbraw/zinc/65/65/63/554656563.db2.gz ZDRVAHSQXMAORS-UHFFFAOYSA-N 0 0 532.490 4.566 50 5 KJBARN O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c32)C(=O)N1c1ccc(I)cc1 ZINC000101148735 554656726 /nfs/dbraw/zinc/65/67/26/554656726.db2.gz BTXTZLOSFGDHKP-UHFFFAOYSA-N 0 0 523.080 4.916 50 5 KJBARN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101152744 554657781 /nfs/dbraw/zinc/65/77/81/554657781.db2.gz CULCPBQILUMGDD-PFBJBMPXSA-N 0 0 535.512 4.865 50 5 KJBARN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000101159039 554659337 /nfs/dbraw/zinc/65/93/37/554659337.db2.gz NHTXPMUVVKFOGS-FCEKVYKBSA-N 0 0 549.539 4.861 50 5 KJBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000101170747 554661794 /nfs/dbraw/zinc/66/17/94/554661794.db2.gz HYRGEAAUZBBSMI-KIHHCIJBSA-N 0 0 532.915 4.541 50 5 KJBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000101170749 554661711 /nfs/dbraw/zinc/66/17/11/554661711.db2.gz HYRGEAAUZBBSMI-KEZOAJOQSA-N 0 0 532.915 4.541 50 5 KJBARN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101173428 554662211 /nfs/dbraw/zinc/66/22/11/554662211.db2.gz JKALMILGQCTTEK-NXCFDTQHSA-N 0 0 517.538 4.833 50 5 KJBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101174729 554662445 /nfs/dbraw/zinc/66/24/45/554662445.db2.gz SMCKRAPUDIDSSG-PFBJBMPXSA-N 0 0 525.517 4.816 50 5 KJBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000101175383 554663349 /nfs/dbraw/zinc/66/33/49/554663349.db2.gz KCIYEHVENDTMCT-KIHHCIJBSA-N 0 0 532.915 4.541 50 5 KJBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000101175390 554663361 /nfs/dbraw/zinc/66/33/61/554663361.db2.gz KCIYEHVENDTMCT-KEZOAJOQSA-N 0 0 532.915 4.541 50 5 KJBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000101175925 554663899 /nfs/dbraw/zinc/66/38/99/554663899.db2.gz HHRJCHMGVPRDHW-KIHHCIJBSA-N 0 0 532.915 4.541 50 5 KJBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000101175926 554663827 /nfs/dbraw/zinc/66/38/27/554663827.db2.gz HHRJCHMGVPRDHW-KEZOAJOQSA-N 0 0 532.915 4.541 50 5 KJBARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000101176772 554664540 /nfs/dbraw/zinc/66/45/40/554664540.db2.gz KTGJPNGCODAZTE-ZLNRFVROSA-N 0 0 538.354 4.725 50 5 KJBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N/C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101177265 554665306 /nfs/dbraw/zinc/66/53/06/554665306.db2.gz MOFGMXFDLXPZNQ-FADJLKOXSA-N 0 0 596.484 4.641 50 5 KJBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N/C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101177328 554665328 /nfs/dbraw/zinc/66/53/28/554665328.db2.gz PTIFWAXMLLBUFA-OVUIFSCLSA-N 0 0 608.495 4.784 50 5 KJBARN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1cccc([N+](=O)[O-])c1 ZINC000101181463 554667114 /nfs/dbraw/zinc/66/71/14/554667114.db2.gz ZHOHUBOBSUQXHY-VSKRKVRLSA-N 0 0 542.317 4.556 50 5 KJBARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101184032 554668640 /nfs/dbraw/zinc/66/86/40/554668640.db2.gz GAPOEWQYCCWKTE-QODLHPCFSA-N 0 0 542.551 4.846 50 5 KJBARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101185333 554668926 /nfs/dbraw/zinc/66/89/26/554668926.db2.gz RKQXMMYDYMWKCF-QODLHPCFSA-N 0 0 542.551 4.846 50 5 KJBARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000101200143 554672558 /nfs/dbraw/zinc/67/25/58/554672558.db2.gz PQOCXMGKHRLBJX-VSKRKVRLSA-N 0 0 542.317 4.556 50 5 KJBARN O=C(N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000101227145 554688968 /nfs/dbraw/zinc/68/89/68/554688968.db2.gz YJTFOFHJTGMRNH-HXUWFJFHSA-N 0 0 540.804 4.786 50 5 KJBARN O=C(N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000101227150 554688978 /nfs/dbraw/zinc/68/89/78/554688978.db2.gz YJTFOFHJTGMRNH-FQEVSTJZSA-N 0 0 540.804 4.786 50 5 KJBARN COC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000101234080 554690027 /nfs/dbraw/zinc/69/00/27/554690027.db2.gz GAABUYSZKWUGRW-QHCPKHFHSA-N 0 0 537.594 4.774 50 5 KJBARN COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000101234084 554690041 /nfs/dbraw/zinc/69/00/41/554690041.db2.gz GAABUYSZKWUGRW-HSZRJFAPSA-N 0 0 537.594 4.774 50 5 KJBARN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000101255943 554697064 /nfs/dbraw/zinc/69/70/64/554697064.db2.gz HDQFFEWVVXIMCS-JMBFNUQRSA-N 0 0 542.979 4.571 50 5 KJBARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000101263514 554697887 /nfs/dbraw/zinc/69/78/87/554697887.db2.gz BAESHRZXCGUVQV-DJLQPTFLSA-N 0 0 542.551 4.972 50 5 KJBARN COc1cccc(NC(=O)CSc2nc3cc(OC)c(OC)cc3c3nc(-c4ccc([N+](=O)[O-])cc4)nn32)c1 ZINC000101307892 554715542 /nfs/dbraw/zinc/71/55/42/554715542.db2.gz SUEFPZQVNNQMGJ-UHFFFAOYSA-N 0 0 546.565 4.609 50 5 KJBARN CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn21)C(=O)NCc1ccco1 ZINC000101307896 554715550 /nfs/dbraw/zinc/71/55/50/554715550.db2.gz RLCLQBKHSMPPFX-QFIPXVFZSA-N 0 0 548.581 4.650 50 5 KJBARN CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn21)C(=O)NCc1ccco1 ZINC000101307901 554715540 /nfs/dbraw/zinc/71/55/40/554715540.db2.gz RLCLQBKHSMPPFX-JOCHJYFZSA-N 0 0 548.581 4.650 50 5 KJBARN COc1cc2nc(SCC(=O)Nc3ccccc3C)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC ZINC000101307977 554715745 /nfs/dbraw/zinc/71/57/45/554715745.db2.gz QOJKWTPIUFBVLG-UHFFFAOYSA-N 0 0 530.566 4.909 50 5 KJBARN COc1cc2nc(SCC(=O)Nc3cccc(C)c3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC ZINC000101307981 554715734 /nfs/dbraw/zinc/71/57/34/554715734.db2.gz PXQXCAJTPGXXMJ-UHFFFAOYSA-N 0 0 530.566 4.909 50 5 KJBARN COc1cc2nc(SCC(=O)Nc3ccccc3F)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC ZINC000101307996 554715729 /nfs/dbraw/zinc/71/57/29/554715729.db2.gz UOWQLTLSORHTAO-UHFFFAOYSA-N 0 0 534.529 4.740 50 5 KJBARN COc1cc2nc(SCC(=O)N(C)C3CCCCC3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC ZINC000101308002 554715717 /nfs/dbraw/zinc/71/57/17/554715717.db2.gz NXCUJRKWRIKXPT-UHFFFAOYSA-N 0 0 536.614 4.753 50 5 KJBARN COc1cc2nc(SCC(=O)Nc3ccc(F)cc3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC ZINC000101308208 554716170 /nfs/dbraw/zinc/71/61/70/554716170.db2.gz RMZZWQBGLCGWIB-UHFFFAOYSA-N 0 0 534.529 4.740 50 5 KJBARN O=C(NCc1ccccc1Cl)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000101332136 554733239 /nfs/dbraw/zinc/73/32/39/554733239.db2.gz NIHOBVVNFZGBAO-UHFFFAOYSA-N 0 0 554.990 4.751 50 5 KJBARN O=C(NCc1ccccc1Cl)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000101332543 554733438 /nfs/dbraw/zinc/73/34/38/554733438.db2.gz INANAUFKNWHSPZ-UHFFFAOYSA-N 0 0 554.990 4.751 50 5 KJBARN CCOC(=O)c1sc(N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c(C(=O)OCC)c1C ZINC000101333025 554733864 /nfs/dbraw/zinc/73/38/64/554733864.db2.gz WJMNMTZKBGMJCX-IBGZPJMESA-N 0 0 552.820 4.856 50 5 KJBARN CCOC(=O)c1sc(N[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c(C(=O)OCC)c1C ZINC000101333027 554733871 /nfs/dbraw/zinc/73/38/71/554733871.db2.gz WJMNMTZKBGMJCX-LJQANCHMSA-N 0 0 552.820 4.856 50 5 KJBARN Cc1nn(-c2ccccc2)c(OC(=O)c2c(F)cccc2Cl)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000101333466 554733873 /nfs/dbraw/zinc/73/38/73/554733873.db2.gz UVKMGNIAAIDPQP-UHFFFAOYSA-N 0 0 515.906 4.933 50 5 KJBARN O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)sc2nc(/C=C/c3ccccc3)nn12 ZINC000101346356 554737305 /nfs/dbraw/zinc/73/73/05/554737305.db2.gz OGOASYIUXLQIHC-GSCASXBJSA-N 0 0 518.558 4.630 50 5 KJBARN COCCn1c(=N)c(-c2nc(-c3cccs3)c(NC(=O)c3ccccc3)s2)cc2c1nc1ccccn1c2=O ZINC000101349451 554737845 /nfs/dbraw/zinc/73/78/45/554737845.db2.gz CMUSQLYLUBTAMY-UHFFFAOYSA-N 0 0 554.657 4.879 50 5 KJBARN COCCn1c(=N)c(-c2nc(-c3ccc(F)cc3)c(NC(=O)c3ccccc3)s2)cc2c1nc1ccccn1c2=O ZINC000101349453 554738030 /nfs/dbraw/zinc/73/80/30/554738030.db2.gz KHFHFZNLFNQQSA-UHFFFAOYSA-N 0 0 566.618 4.957 50 5 KJBARN COCCn1c(=N)c(-c2nc(-c3ccccc3)c(NC(=O)c3ccccc3)s2)cc2c1nc1ccccn1c2=O ZINC000101349456 554738035 /nfs/dbraw/zinc/73/80/35/554738035.db2.gz PTLAPGPHRAGISK-UHFFFAOYSA-N 0 0 548.628 4.818 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=CN1[C@@H]2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000101359828 554741699 /nfs/dbraw/zinc/74/16/99/554741699.db2.gz ZNOMBJXCCMRLER-NDBXHCKUSA-N 0 0 578.503 4.776 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000101359833 554741766 /nfs/dbraw/zinc/74/17/66/554741766.db2.gz ZNOMBJXCCMRLER-LIONHTAISA-N 0 0 578.503 4.776 50 5 KJBARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2cc(O)c3c(c2)oc2c(C)cccc2c3=O)c2ccccc2)cc1 ZINC000101372475 554744958 /nfs/dbraw/zinc/74/49/58/554744958.db2.gz LNGDNDFPXBVDLM-SANMLTNESA-N 0 0 529.570 4.894 50 5 KJBARN COc1cccc(/C=C2\Sc3ccc(C(=O)N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)cc3N(C)C2=O)c1 ZINC000101374238 554745756 /nfs/dbraw/zinc/74/57/56/554745756.db2.gz UVAPWIFDPBBOHW-ONUIUJJFSA-N 0 0 530.606 4.675 50 5 KJBARN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2cc(O)c3c(c2)oc2c(C)cccc2c3=O)cc1 ZINC000101381128 554748313 /nfs/dbraw/zinc/74/83/13/554748313.db2.gz QHMGDZDQVZXIAY-XMMPIXPASA-N 0 0 543.597 4.764 50 5 KJBARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000101385585 554749937 /nfs/dbraw/zinc/74/99/37/554749937.db2.gz JYTVVCIRWFYPCR-AREMUKBSSA-N 0 0 568.659 4.616 50 5 KJBARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000101385588 554749950 /nfs/dbraw/zinc/74/99/50/554749950.db2.gz JYTVVCIRWFYPCR-SANMLTNESA-N 0 0 568.659 4.616 50 5 KJBARN Cc1c(NS(=O)(=O)c2ccc(Oc3ccc(Cl)c(C)c3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000101407724 554762365 /nfs/dbraw/zinc/76/23/65/554762365.db2.gz SFCIMPRCRKGILV-UHFFFAOYSA-N 0 0 528.974 4.948 50 5 KJBARN O=C1c2ccc(OCOc3ccc4c(c3)C(=O)N(c3ccc([N+](=O)[O-])cc3)C4=O)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000101408373 554763223 /nfs/dbraw/zinc/76/32/23/554763223.db2.gz KHCCBTUAHPCZNH-UHFFFAOYSA-N 0 0 580.465 4.520 50 5 KJBARN O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000101416136 554765069 /nfs/dbraw/zinc/76/50/69/554765069.db2.gz KRBMDWFCKCSHIH-UHFFFAOYSA-N 0 0 600.628 4.690 50 5 KJBARN O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000101416566 554765511 /nfs/dbraw/zinc/76/55/11/554765511.db2.gz XHGQFKKTDUKGDC-UHFFFAOYSA-N 0 0 582.638 4.550 50 5 KJBARN CCOc1ccc(NC(=O)CSc2nc3cc(OC)c(OC)cc3c3nc(-c4ccc([N+](=O)[O-])cc4)nn32)cc1 ZINC000101421140 554767083 /nfs/dbraw/zinc/76/70/83/554767083.db2.gz YIRJVSUSQRLRSH-UHFFFAOYSA-N 0 0 560.592 4.999 50 5 KJBARN COc1cc2nc(SCC(=O)NCc3ccccc3Cl)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC ZINC000101421152 554767112 /nfs/dbraw/zinc/76/71/12/554767112.db2.gz RRBWTBAXFSWCGL-UHFFFAOYSA-N 0 0 565.011 4.932 50 5 KJBARN COc1cc2nc(SCC(=O)c3ccc(F)cc3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC ZINC000101421176 554767148 /nfs/dbraw/zinc/76/71/48/554767148.db2.gz OXWFEFZVAGNEMQ-UHFFFAOYSA-N 0 0 519.514 4.984 50 5 KJBARN CCOc1ccccc1NC(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn21 ZINC000101421257 554767143 /nfs/dbraw/zinc/76/71/43/554767143.db2.gz PJMCDWAENHIFQI-UHFFFAOYSA-N 0 0 560.592 4.999 50 5 KJBARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n1-c1cccc(C)c1)CCC2 ZINC000101423259 554767740 /nfs/dbraw/zinc/76/77/40/554767740.db2.gz VUINRPSBOLMRKK-UHFFFAOYSA-N 0 0 620.713 4.872 50 5 KJBARN CCc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000101432677 554771220 /nfs/dbraw/zinc/77/12/20/554771220.db2.gz XDXNYGIPUGJQEC-UHFFFAOYSA-N 0 0 548.599 4.644 50 5 KJBARN Cc1cccc(CN2c3cc(C(=O)N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101455963 554777198 /nfs/dbraw/zinc/77/71/98/554777198.db2.gz UTATXEXTIWMUPW-UHFFFAOYSA-N 0 0 596.665 4.859 50 5 KJBARN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000101466492 554780829 /nfs/dbraw/zinc/78/08/29/554780829.db2.gz WFVIEGWPYBXRJF-WVQWTBLQSA-N 0 0 512.518 4.708 50 5 KJBARN COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] ZINC000101468704 554781040 /nfs/dbraw/zinc/78/10/40/554781040.db2.gz OOSRWLWMJJSMLW-RISWYLRJSA-N 0 0 530.005 4.889 50 5 KJBARN COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] ZINC000101468707 554781011 /nfs/dbraw/zinc/78/10/11/554781011.db2.gz OOSRWLWMJJSMLW-LMSRTUJASA-N 0 0 530.005 4.889 50 5 KJBARN COc1cc(-c2nc(NC(C)=O)c3c(=O)oc4ccccc4c3n2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000101488089 554785628 /nfs/dbraw/zinc/78/56/28/554785628.db2.gz LSFOAAFKDNTRAJ-UHFFFAOYSA-N 0 0 528.496 4.527 50 5 KJBARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000101500480 554788287 /nfs/dbraw/zinc/78/82/87/554788287.db2.gz OHYDORFOBKIBQO-RMKNXTFCSA-N 0 0 548.980 4.894 50 5 KJBARN CCN(CCCNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)c1ccccc1 ZINC000101501482 554788700 /nfs/dbraw/zinc/78/87/00/554788700.db2.gz BVNVVAXFOUZZON-UHFFFAOYSA-N 0 0 532.652 4.948 50 5 KJBARN Cc1ccc(C)c(N2CCN(C(=O)CCCc3nnc4n5nc(-c6ccccc6)nc5c5ccccc5n34)CC2)c1 ZINC000101501512 554788747 /nfs/dbraw/zinc/78/87/47/554788747.db2.gz ZTRAPXVNXRIUNN-UHFFFAOYSA-N 0 0 544.663 4.881 50 5 KJBARN Cc1cccc(N2CCN(C(=O)CCCc3nnc4n5nc(-c6ccccc6)nc5c5ccccc5n34)CC2)c1C ZINC000101501520 554788729 /nfs/dbraw/zinc/78/87/29/554788729.db2.gz ZOVDSRNTRWGGFC-UHFFFAOYSA-N 0 0 544.663 4.881 50 5 KJBARN Cc1cccc(N2CCN(C(=O)CCCc3nnc4n5nc(-c6ccccc6)nc5c5ccccc5n34)C[C@@H]2C)c1 ZINC000101501522 554788670 /nfs/dbraw/zinc/78/86/70/554788670.db2.gz OKMDLMNWNNFBML-QHCPKHFHSA-N 0 0 544.663 4.961 50 5 KJBARN Cc1cccc(N2CCN(C(=O)CCCc3nnc4n5nc(-c6ccccc6)nc5c5ccccc5n34)C[C@H]2C)c1 ZINC000101501525 554788662 /nfs/dbraw/zinc/78/86/62/554788662.db2.gz OKMDLMNWNNFBML-HSZRJFAPSA-N 0 0 544.663 4.961 50 5 KJBARN COc1ccccc1[C@@H]1C2=C(N=c3sc(=Cc4ccc(Sc5nc[nH]n5)c([N+](=O)[O-])c4)c(=O)n31)c1ccccc1CC2 ZINC000101532812 554795055 /nfs/dbraw/zinc/79/50/55/554795055.db2.gz LIUQCUXJLJYDSD-CRCYZHLCSA-N 0 0 594.678 4.505 50 5 KJBARN COc1ccccc1[C@H]1C2=C(N=c3sc(=Cc4ccc(Sc5nc[nH]n5)c([N+](=O)[O-])c4)c(=O)n31)c1ccccc1CC2 ZINC000101532818 554795013 /nfs/dbraw/zinc/79/50/13/554795013.db2.gz LIUQCUXJLJYDSD-FQKMCRJQSA-N 0 0 594.678 4.505 50 5 KJBARN O=C(COC(=O)c1cc(Br)c(Br)s1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000101574433 554798581 /nfs/dbraw/zinc/79/85/81/554798581.db2.gz XPHLQHOEMMVZFC-UHFFFAOYSA-N 0 0 532.088 4.996 50 5 KJBARN COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3ccccc3)cnn2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101583985 554801258 /nfs/dbraw/zinc/80/12/58/554801258.db2.gz BORXJESJMSYXPF-VWLOTQADSA-N 0 0 524.537 4.980 50 5 KJBARN COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3ccccc3)cnn2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101583991 554801268 /nfs/dbraw/zinc/80/12/68/554801268.db2.gz BORXJESJMSYXPF-RUZDIDTESA-N 0 0 524.537 4.980 50 5 KJBARN CC(=O)Oc1c(C2=NN(C(C)=O)[C@@H](c3cccc(NC(=O)c4cccc(C)c4)c3)O2)cc(Cl)cc1[N+](=O)[O-] ZINC000101584037 554801509 /nfs/dbraw/zinc/80/15/09/554801509.db2.gz KEURYKDSICJWCQ-AREMUKBSSA-N 0 0 536.928 4.973 50 5 KJBARN CC(=O)Oc1c(C2=NN(C(C)=O)[C@H](c3cccc(NC(=O)c4cccc(C)c4)c3)O2)cc(Cl)cc1[N+](=O)[O-] ZINC000101584042 554801399 /nfs/dbraw/zinc/80/13/99/554801399.db2.gz KEURYKDSICJWCQ-SANMLTNESA-N 0 0 536.928 4.973 50 5 KJBARN CC(=O)Oc1c(C2=NN(C(C)=O)[C@@H](c3cccc(NC(=O)c4ccccc4C)c3)O2)cc(Cl)cc1[N+](=O)[O-] ZINC000101584047 554801446 /nfs/dbraw/zinc/80/14/46/554801446.db2.gz XKACVFPDCWWTAJ-AREMUKBSSA-N 0 0 536.928 4.973 50 5 KJBARN CC(=O)Oc1c(C2=NN(C(C)=O)[C@H](c3cccc(NC(=O)c4ccccc4C)c3)O2)cc(Cl)cc1[N+](=O)[O-] ZINC000101584052 554801498 /nfs/dbraw/zinc/80/14/98/554801498.db2.gz XKACVFPDCWWTAJ-SANMLTNESA-N 0 0 536.928 4.973 50 5 KJBARN CC(=O)Oc1ccc(Br)cc1C1=NN(C(C)=O)[C@H](c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)O1 ZINC000101594542 554803366 /nfs/dbraw/zinc/80/33/66/554803366.db2.gz RODWSPAARDRTJZ-VWLOTQADSA-N 0 0 567.352 4.774 50 5 KJBARN CC(=O)Oc1ccc(Br)cc1C1=NN(C(C)=O)[C@@H](c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)O1 ZINC000101594547 554803346 /nfs/dbraw/zinc/80/33/46/554803346.db2.gz RODWSPAARDRTJZ-RUZDIDTESA-N 0 0 567.352 4.774 50 5 KJBARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000101618710 554806928 /nfs/dbraw/zinc/80/69/28/554806928.db2.gz OCWDSBOCVLNRDL-YRYLYKBFSA-N 0 0 548.980 4.894 50 5 KJBARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000101618714 554806902 /nfs/dbraw/zinc/80/69/02/554806902.db2.gz OCWDSBOCVLNRDL-VGMNTSGFSA-N 0 0 548.980 4.894 50 5 KJBARN O=C1C[C@H](c2ccccc2)C(=O)N1c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000101638991 554813873 /nfs/dbraw/zinc/81/38/73/554813873.db2.gz DNTRNBPUHSOLLS-HSZRJFAPSA-N 0 0 504.974 4.618 50 5 KJBARN C[C@H]1CC(=O)N(c2ccc(N3CCC(O)(c4ccc(Cl)c(C(F)(F)F)c4)CC3)c([N+](=O)[O-])c2)C1=O ZINC000101639041 554813939 /nfs/dbraw/zinc/81/39/39/554813939.db2.gz ATCFDGYQOCKORG-ZDUSSCGKSA-N 0 0 511.884 4.654 50 5 KJBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000101639152 554814050 /nfs/dbraw/zinc/81/40/50/554814050.db2.gz KAUUHJIINJUOGM-HDICACEKSA-N 0 0 503.386 4.908 50 5 KJBARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000101639155 554814068 /nfs/dbraw/zinc/81/40/68/554814068.db2.gz KAUUHJIINJUOGM-QZTJIDSGSA-N 0 0 503.386 4.908 50 5 KJBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000101639493 554814051 /nfs/dbraw/zinc/81/40/51/554814051.db2.gz IJAXLKBGYKOEPA-BGYRXZFFSA-N 0 0 517.504 4.781 50 5 KJBARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000101639499 554814089 /nfs/dbraw/zinc/81/40/89/554814089.db2.gz IJAXLKBGYKOEPA-WOJBJXKFSA-N 0 0 517.504 4.781 50 5 KJBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000101639581 554814057 /nfs/dbraw/zinc/81/40/57/554814057.db2.gz NKMDEWCHZGWJPA-BGYRXZFFSA-N 0 0 502.493 4.620 50 5 KJBARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000101639586 554814081 /nfs/dbraw/zinc/81/40/81/554814081.db2.gz NKMDEWCHZGWJPA-WOJBJXKFSA-N 0 0 502.493 4.620 50 5 KJBARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000101639705 554814060 /nfs/dbraw/zinc/81/40/60/554814060.db2.gz NDPMTMHOEHWZCW-HDICACEKSA-N 0 0 501.370 4.684 50 5 KJBARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000101639710 554814071 /nfs/dbraw/zinc/81/40/71/554814071.db2.gz NDPMTMHOEHWZCW-QZTJIDSGSA-N 0 0 501.370 4.684 50 5 KJBARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000101639787 554814093 /nfs/dbraw/zinc/81/40/93/554814093.db2.gz HQOYZROWBBZNGO-BGYRXZFFSA-N 0 0 515.488 4.557 50 5 KJBARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000101639793 554814079 /nfs/dbraw/zinc/81/40/79/554814079.db2.gz HQOYZROWBBZNGO-WOJBJXKFSA-N 0 0 515.488 4.557 50 5 KJBARN CCCCn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000101649183 554815958 /nfs/dbraw/zinc/81/59/58/554815958.db2.gz ROHUWGBCXFEJCT-UHFFFAOYSA-N 0 0 600.723 4.764 50 5 KJBARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n1Cc1ccccc1)CCC2 ZINC000101650010 554816914 /nfs/dbraw/zinc/81/69/14/554816914.db2.gz FSVFXCXMDZMGIG-UHFFFAOYSA-N 0 0 620.713 4.622 50 5 KJBARN CCOC(=O)c1cccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(Br)o2)c1 ZINC000101658659 554820559 /nfs/dbraw/zinc/82/05/59/554820559.db2.gz OATJWITYXAXARU-LDADJPATSA-N 0 0 528.315 4.537 50 5 KJBARN O=C(N/C(=C\c1cc(Br)cs1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101666750 554822606 /nfs/dbraw/zinc/82/26/06/554822606.db2.gz YANZSYOEVNBYAF-ZUIDABRVSA-N 0 0 603.882 4.651 50 5 biogenic KJBARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101672088 554825581 /nfs/dbraw/zinc/82/55/81/554825581.db2.gz DIGVXCALHFPCKR-XJUOHMSHSA-N 0 0 572.343 4.652 50 5 KJBARN CCOc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101672373 554825985 /nfs/dbraw/zinc/82/59/85/554825985.db2.gz YTGUMACEWQRQPH-AKFKNWHVSA-N 0 0 568.380 4.508 50 5 KJBARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101672381 554826013 /nfs/dbraw/zinc/82/60/13/554826013.db2.gz YTGUMACEWQRQPH-ZDXQCDESSA-N 0 0 568.380 4.508 50 5 KJBARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101672774 554826312 /nfs/dbraw/zinc/82/63/12/554826312.db2.gz LEZXTALPEUKNBI-XJUOHMSHSA-N 0 0 572.343 4.652 50 5 KJBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000101672786 554826285 /nfs/dbraw/zinc/82/62/85/554826285.db2.gz TXOPZUAEOPGLDM-OARDWFSCSA-N 0 0 555.543 4.825 50 5 KJBARN Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(C(C)(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000101748595 554834556 /nfs/dbraw/zinc/83/45/56/554834556.db2.gz RQTGJKIPEDVGPZ-UHFFFAOYSA-N 0 0 625.626 4.617 50 5 KJBARN COCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1C(C)(C)C ZINC000101748603 554834584 /nfs/dbraw/zinc/83/45/84/554834584.db2.gz YQDZXRQXKNQAFZ-UHFFFAOYSA-N 0 0 613.615 4.521 50 5 KJBARN COc1ccc(N(CC(=O)Nc2c(F)c(F)c(F)c(F)c2F)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000101763069 554836912 /nfs/dbraw/zinc/83/69/12/554836912.db2.gz OGNBYEMYUJUOJG-UHFFFAOYSA-N 0 0 565.860 4.786 50 5 KJBARN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000101774516 554837889 /nfs/dbraw/zinc/83/78/89/554837889.db2.gz CQWQBWXIJSDHTQ-ZDUSSCGKSA-N 0 0 527.883 4.690 50 5 KJBARN C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000101774519 554837873 /nfs/dbraw/zinc/83/78/73/554837873.db2.gz CQWQBWXIJSDHTQ-CYBMUJFWSA-N 0 0 527.883 4.690 50 5 KJBARN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)cc2)cc1 ZINC000101845374 554843226 /nfs/dbraw/zinc/84/32/26/554843226.db2.gz DFSOKOZPPJVMPW-UHFFFAOYSA-N 0 0 574.567 4.963 50 5 KJBARN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000101845653 554843272 /nfs/dbraw/zinc/84/32/72/554843272.db2.gz HHPSTWZWYPKYJT-UHFFFAOYSA-N 0 0 574.567 4.963 50 5 KJBARN Cc1c(C(=O)NCC(C)C)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000101859542 554843987 /nfs/dbraw/zinc/84/39/87/554843987.db2.gz CWVSMAFFVAEIRF-UHFFFAOYSA-N 0 0 543.646 4.571 50 5 KJBARN Cc1c(C(=O)NCC(C)C)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000101859569 554844023 /nfs/dbraw/zinc/84/40/23/554844023.db2.gz JHNPZPSAGUGSBU-UHFFFAOYSA-N 0 0 557.673 4.961 50 5 KJBARN Cc1c(C(=O)NCC(C)C)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000101859575 554843977 /nfs/dbraw/zinc/84/39/77/554843977.db2.gz UWLISVROSNTPMC-UHFFFAOYSA-N 0 0 557.673 4.961 50 5 KJBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cc(C)ccc1C ZINC000101859580 554844038 /nfs/dbraw/zinc/84/40/38/554844038.db2.gz ZMVOLSDXVVLFPG-LJQANCHMSA-N 0 0 557.673 4.961 50 5 KJBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cc(C)ccc1C ZINC000101859585 554843980 /nfs/dbraw/zinc/84/39/80/554843980.db2.gz ZMVOLSDXVVLFPG-IBGZPJMESA-N 0 0 557.673 4.961 50 5 KJBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cccc(C)c1C ZINC000101859600 554844349 /nfs/dbraw/zinc/84/43/49/554844349.db2.gz YWVVGDOWSSUWEX-GOSISDBHSA-N 0 0 557.673 4.961 50 5 KJBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cccc(C)c1C ZINC000101859604 554844359 /nfs/dbraw/zinc/84/43/59/554844359.db2.gz YWVVGDOWSSUWEX-SFHVURJKSA-N 0 0 557.673 4.961 50 5 KJBARN COc1cc(OC)cc(-n2c(=O)c3ccc(C(=O)NCC(C)C)cc3nc2SCc2cccc([N+](=O)[O-])c2)c1 ZINC000101860314 554844267 /nfs/dbraw/zinc/84/42/67/554844267.db2.gz GUGGXFLZZWSFRF-UHFFFAOYSA-N 0 0 548.621 4.989 50 5 KJBARN COc1cc(OC)cc(-n2c(=O)c3ccc(C(=O)NCC(C)C)cc3nc2SCc2ccc([N+](=O)[O-])cc2)c1 ZINC000101860361 554844224 /nfs/dbraw/zinc/84/42/24/554844224.db2.gz KCQZXGLIIIOBKR-UHFFFAOYSA-N 0 0 548.621 4.989 50 5 KJBARN Cc1c(C(=O)N2CCCC2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000101861529 554844483 /nfs/dbraw/zinc/84/44/83/554844483.db2.gz FMURUHHXCFBHNY-UHFFFAOYSA-N 0 0 555.657 4.668 50 5 KJBARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)c1C ZINC000101861556 554844456 /nfs/dbraw/zinc/84/44/56/554844456.db2.gz RZVADSYAIVGPOT-GOSISDBHSA-N 0 0 543.646 4.652 50 5 KJBARN CC[C@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)c1C ZINC000101861561 554844530 /nfs/dbraw/zinc/84/45/30/554844530.db2.gz RZVADSYAIVGPOT-SFHVURJKSA-N 0 0 543.646 4.652 50 5 KJBARN Cc1c(C(=O)NCC(C)C)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000101861565 554844452 /nfs/dbraw/zinc/84/44/52/554844452.db2.gz RXTJZHJBUNEJLP-UHFFFAOYSA-N 0 0 543.646 4.510 50 5 KJBARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)c1C ZINC000101861580 554844459 /nfs/dbraw/zinc/84/44/59/554844459.db2.gz NRUKNTOVQYGPAA-GOSISDBHSA-N 0 0 557.673 4.961 50 5 KJBARN CC[C@H](C)NC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)c1C ZINC000101861582 554844544 /nfs/dbraw/zinc/84/45/44/554844544.db2.gz NRUKNTOVQYGPAA-SFHVURJKSA-N 0 0 557.673 4.961 50 5 KJBARN Cc1c(C(=O)NCC(C)C)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000101861591 554844576 /nfs/dbraw/zinc/84/45/76/554844576.db2.gz WPEXXYFHSRWCSI-UHFFFAOYSA-N 0 0 557.673 4.818 50 5 KJBARN O=C(CN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000101890116 554846528 /nfs/dbraw/zinc/84/65/28/554846528.db2.gz OEVKVOMNSJQPAM-AREMUKBSSA-N 0 0 537.617 4.509 50 5 KJBARN O=C(CN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000101890122 554846514 /nfs/dbraw/zinc/84/65/14/554846514.db2.gz OEVKVOMNSJQPAM-SANMLTNESA-N 0 0 537.617 4.509 50 5 KJBARN COc1ccc(-c2nn3c(SCC(=O)Nc4cccc(F)c4)nc4ccc(Br)cc4c3nc2=O)cc1 ZINC000101890389 554846507 /nfs/dbraw/zinc/84/65/07/554846507.db2.gz AEFWSUSHLCSMNY-UHFFFAOYSA-N 0 0 566.412 4.946 50 5 KJBARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000101890846 554846489 /nfs/dbraw/zinc/84/64/89/554846489.db2.gz KYRLCEPTVIZFPU-DWXRJYCRSA-N 0 0 537.617 4.508 50 5 KJBARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000101890852 554846403 /nfs/dbraw/zinc/84/64/03/554846403.db2.gz KYRLCEPTVIZFPU-QYBDOPJKSA-N 0 0 537.617 4.508 50 5 KJBARN COc1ccc(-c2nn3c(SCC(=O)Nc4ccc(Br)cc4)nc4cc(F)ccc4c3nc2=O)cc1 ZINC000101892609 554846545 /nfs/dbraw/zinc/84/65/45/554846545.db2.gz ZXMKKFAHYTUPBS-UHFFFAOYSA-N 0 0 566.412 4.946 50 5 KJBARN O=C(CSc1nc2cc(F)ccc2c2nc(=O)c(-c3ccc(F)cc3)nn12)NC12CC3CC(CC(C3)C1)C2 ZINC000101892708 554846658 /nfs/dbraw/zinc/84/66/58/554846658.db2.gz YDYGSZLPVICPRL-UHFFFAOYSA-N 0 0 533.604 4.760 50 5 KJBARN COc1ccccc1N1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2C(=O)NCC(C)C)CC1 ZINC000101912578 554849916 /nfs/dbraw/zinc/84/99/16/554849916.db2.gz KGZVRWLBZCZRNU-UHFFFAOYSA-N 0 0 546.628 4.960 50 5 KJBARN Cc1c(C(=O)NC(C)C)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000101914373 554850114 /nfs/dbraw/zinc/85/01/14/554850114.db2.gz PIHSFJFGMOBBBG-UHFFFAOYSA-N 0 0 543.646 4.713 50 5 KJBARN Cc1c(C(=O)NC(C)C)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000101914379 554850152 /nfs/dbraw/zinc/85/01/52/554850152.db2.gz VVMPFIADRJCYLA-UHFFFAOYSA-N 0 0 543.646 4.713 50 5 KJBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1cccc(C)c1C ZINC000101914398 554850140 /nfs/dbraw/zinc/85/01/40/554850140.db2.gz GLWHGIRZBAPPGX-QGZVFWFLSA-N 0 0 543.646 4.713 50 5 KJBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1cccc(C)c1C ZINC000101914402 554850144 /nfs/dbraw/zinc/85/01/44/554850144.db2.gz GLWHGIRZBAPPGX-KRWDZBQOSA-N 0 0 543.646 4.713 50 5 KJBARN CC[C@@H](C)NC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)C)c1C ZINC000101917696 554850965 /nfs/dbraw/zinc/85/09/65/554850965.db2.gz BRUMWQBFQDJGJE-GOSISDBHSA-N 0 0 543.646 4.713 50 5 KJBARN CC[C@H](C)NC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)C)c1C ZINC000101917698 554850919 /nfs/dbraw/zinc/85/09/19/554850919.db2.gz BRUMWQBFQDJGJE-SFHVURJKSA-N 0 0 543.646 4.713 50 5 KJBARN Cc1c(C(=O)NCc2cccnc2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000101917710 554850951 /nfs/dbraw/zinc/85/09/51/554850951.db2.gz AWDPCWVZEKPDAQ-UHFFFAOYSA-N 0 0 578.651 4.510 50 5 KJBARN Cc1c(C(=O)NCc2ccco2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000101917713 554850940 /nfs/dbraw/zinc/85/09/40/554850940.db2.gz HUINBKHGESRZPO-UHFFFAOYSA-N 0 0 567.624 4.708 50 5 KJBARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)C)c1C ZINC000101917802 554851123 /nfs/dbraw/zinc/85/11/23/554851123.db2.gz XRGWYRAMIZBJGW-QGZVFWFLSA-N 0 0 543.646 4.713 50 5 KJBARN CC[C@H](C)NC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)C)c1C ZINC000101917805 554851163 /nfs/dbraw/zinc/85/11/63/554851163.db2.gz XRGWYRAMIZBJGW-KRWDZBQOSA-N 0 0 543.646 4.713 50 5 KJBARN Cc1c(C(=O)NCc2ccco2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000101917824 554851140 /nfs/dbraw/zinc/85/11/40/554851140.db2.gz IAZIQZWBUGAXIZ-UHFFFAOYSA-N 0 0 567.624 4.708 50 5 KJBARN COc1cc(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1O ZINC000101964096 554853751 /nfs/dbraw/zinc/85/37/51/554853751.db2.gz LXQFLUUPOQUGHM-PLQXQRLBSA-N 0 0 590.455 4.704 50 5 KJBARN COc1cc(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1O ZINC000101964100 554853775 /nfs/dbraw/zinc/85/37/75/554853775.db2.gz LXQFLUUPOQUGHM-VVNKCDPRSA-N 0 0 590.455 4.704 50 5 KJBARN O=C1[C@@H]2CC(c3ccccc3)=C3[C@@H]4C=C[C@@H]([C@H]5C(=O)N(c6ccc([N+](=O)[O-])cc6)C(=O)[C@@H]54)[C@@H]3[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102002023 554866175 /nfs/dbraw/zinc/86/61/75/554866175.db2.gz CRXYREGDEDKHDO-MDQOYHFNSA-N 0 0 616.586 4.704 50 5 KJBARN CC(C)C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000102020210 554867167 /nfs/dbraw/zinc/86/71/67/554867167.db2.gz IJGGTWQIFAZJRY-AZFUDACUSA-N 0 0 552.583 4.628 50 5 KJBARN CC(C)C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000102020216 554867157 /nfs/dbraw/zinc/86/71/57/554867157.db2.gz IJGGTWQIFAZJRY-BYVAMKTGSA-N 0 0 552.583 4.628 50 5 KJBARN CC(C)C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000102020226 554867141 /nfs/dbraw/zinc/86/71/41/554867141.db2.gz IJGGTWQIFAZJRY-UZNKMTRFSA-N 0 0 552.583 4.628 50 5 KJBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1-c1cccc(C)c1C ZINC000102033349 554868310 /nfs/dbraw/zinc/86/83/10/554868310.db2.gz HWRDZXINCXVYHJ-KRWDZBQOSA-N 0 0 543.646 4.715 50 5 KJBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@H](C)CC)nn1-c1cccc(C)c1C ZINC000102033354 554868304 /nfs/dbraw/zinc/86/83/04/554868304.db2.gz HWRDZXINCXVYHJ-QGZVFWFLSA-N 0 0 543.646 4.715 50 5 KJBARN CCCNC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000102034068 554868614 /nfs/dbraw/zinc/86/86/14/554868614.db2.gz SYSGBAUGLHNRMX-SFHVURJKSA-N 0 0 543.646 4.715 50 5 KJBARN CCCNC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@H](C)CC)c1C ZINC000102034072 554868543 /nfs/dbraw/zinc/86/85/43/554868543.db2.gz SYSGBAUGLHNRMX-GOSISDBHSA-N 0 0 543.646 4.715 50 5 KJBARN CCCNC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000102034243 554868816 /nfs/dbraw/zinc/86/88/16/554868816.db2.gz WMDLPSXTLGDPJU-KRWDZBQOSA-N 0 0 543.646 4.715 50 5 KJBARN CCCNC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@H](C)CC)c1C ZINC000102034248 554868794 /nfs/dbraw/zinc/86/87/94/554868794.db2.gz WMDLPSXTLGDPJU-QGZVFWFLSA-N 0 0 543.646 4.715 50 5 KJBARN Cc1ccc(C(=O)COC(=O)CCN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] ZINC000102074643 554874341 /nfs/dbraw/zinc/87/43/41/554874341.db2.gz NSBDBCNXCVVDCY-UHFFFAOYSA-N 0 0 534.135 4.929 50 5 KJBARN CC(C)CCc1nc2c(cnn2-c2cccc(Cl)c2)c(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000102085178 554876394 /nfs/dbraw/zinc/87/63/94/554876394.db2.gz JBSIHFSGMHXJOT-UHFFFAOYSA-N 0 0 534.020 4.928 50 5 KJBARN Cc1nn(-c2ccc(F)cc2)c2nc(CCC(C)C)nc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)c12 ZINC000102085182 554876392 /nfs/dbraw/zinc/87/63/92/554876392.db2.gz GLPRCCRBMXILBL-UHFFFAOYSA-N 0 0 531.592 4.722 50 5 KJBARN Cc1nn(-c2ccc(F)cc2)c2nc(CCC(C)C)nc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)c12 ZINC000102085212 554876418 /nfs/dbraw/zinc/87/64/18/554876418.db2.gz NOMJCYBTUZRPJP-UHFFFAOYSA-N 0 0 531.592 4.722 50 5 KJBARN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000102096343 554879378 /nfs/dbraw/zinc/87/93/78/554879378.db2.gz RDFBLFHZIOUACG-ZPZUNKDASA-N 0 0 512.518 4.708 50 5 KJBARN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000102096350 554879385 /nfs/dbraw/zinc/87/93/85/554879385.db2.gz RDFBLFHZIOUACG-NIJXNBFTSA-N 0 0 512.518 4.708 50 5 KJBARN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000102098833 554880439 /nfs/dbraw/zinc/88/04/39/554880439.db2.gz CCJHHQBNWVNZIA-ZPZUNKDASA-N 0 0 512.518 4.708 50 5 KJBARN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000102098837 554880426 /nfs/dbraw/zinc/88/04/26/554880426.db2.gz CCJHHQBNWVNZIA-NIJXNBFTSA-N 0 0 512.518 4.708 50 5 KJBARN COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cc(C)ccc3C)c3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000102099687 554881169 /nfs/dbraw/zinc/88/11/69/554881169.db2.gz YFVQOJICHBIBOJ-SANMLTNESA-N 0 0 539.382 4.990 50 5 KJBARN COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cc(C)ccc3C)c3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000102099690 554881162 /nfs/dbraw/zinc/88/11/62/554881162.db2.gz YFVQOJICHBIBOJ-AREMUKBSSA-N 0 0 539.382 4.990 50 5 KJBARN O=C(Oc1cccc2c(OC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cccc12)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000102103068 554882075 /nfs/dbraw/zinc/88/20/75/554882075.db2.gz WYUQFZUXIPHMHY-UHFFFAOYSA-N 0 0 548.376 4.911 50 5 KJBARN COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3ccccc3)cnn2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000102120009 554883105 /nfs/dbraw/zinc/88/31/05/554883105.db2.gz OWIZGFVJOHCTTD-VWLOTQADSA-N 0 0 524.537 4.980 50 5 KJBARN COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3ccccc3)cnn2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000102120014 554883093 /nfs/dbraw/zinc/88/30/93/554883093.db2.gz OWIZGFVJOHCTTD-RUZDIDTESA-N 0 0 524.537 4.980 50 5 KJBARN COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3ccccc3)cnn2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102120019 554883116 /nfs/dbraw/zinc/88/31/16/554883116.db2.gz OFYYNJMAWXOFLJ-VWLOTQADSA-N 0 0 524.537 4.980 50 5 KJBARN COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3ccccc3)cnn2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102120022 554883090 /nfs/dbraw/zinc/88/30/90/554883090.db2.gz OFYYNJMAWXOFLJ-RUZDIDTESA-N 0 0 524.537 4.980 50 5 KJBARN COc1ccc(NC(=O)C2=C(C)Nc3c(C(=O)Nc4ccccc4)cnn3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102120065 554883068 /nfs/dbraw/zinc/88/30/68/554883068.db2.gz ROGFDCVTANKDND-VWLOTQADSA-N 0 0 524.537 4.980 50 5 KJBARN COc1ccc(NC(=O)C2=C(C)Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102120068 554883014 /nfs/dbraw/zinc/88/30/14/554883014.db2.gz ROGFDCVTANKDND-RUZDIDTESA-N 0 0 524.537 4.980 50 5 KJBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(Cc4ccccc4)CC3)cnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000102132343 554886463 /nfs/dbraw/zinc/88/64/63/554886463.db2.gz RNRBBFIGYCCMAB-UHFFFAOYSA-N 0 0 574.682 4.853 50 5 KJBARN COc1ccc(CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000102132370 554886413 /nfs/dbraw/zinc/88/64/13/554886413.db2.gz QNBZXCVKSXTZEI-UHFFFAOYSA-N 0 0 579.654 4.885 50 5 KJBARN COc1ccc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000102132375 554886376 /nfs/dbraw/zinc/88/63/76/554886376.db2.gz TTZFNIMWLSWHMX-UHFFFAOYSA-N 0 0 535.601 4.834 50 5 KJBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCc3ccc4c(c3)OCO4)cnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000102132382 554886424 /nfs/dbraw/zinc/88/64/24/554886424.db2.gz GPWYUZBBMVQJGF-UHFFFAOYSA-N 0 0 549.584 4.554 50 5 KJBARN COc1ccccc1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000102132390 554886368 /nfs/dbraw/zinc/88/63/68/554886368.db2.gz QLDWKQQUMOPRQG-UHFFFAOYSA-N 0 0 535.601 4.834 50 5 KJBARN COc1cccc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000102132392 554886393 /nfs/dbraw/zinc/88/63/93/554886393.db2.gz JTENRKGHKSFMBS-UHFFFAOYSA-N 0 0 535.601 4.834 50 5 KJBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000102132395 554886380 /nfs/dbraw/zinc/88/63/80/554886380.db2.gz TVZSUVQZAYOWJE-UHFFFAOYSA-N 0 0 578.645 4.997 50 5 KJBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)Nc3ccc4c(c3)OCCO4)cnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000102132396 554886404 /nfs/dbraw/zinc/88/64/04/554886404.db2.gz DMGDBSUEDLXXGF-UHFFFAOYSA-N 0 0 549.584 4.919 50 5 KJBARN COc1ccccc1N1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102132402 554886384 /nfs/dbraw/zinc/88/63/84/554886384.db2.gz BMRMXZVIRULLDE-UHFFFAOYSA-N 0 0 590.681 4.866 50 5 KJBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000102132443 554886611 /nfs/dbraw/zinc/88/66/11/554886611.db2.gz MKKIDKFLRIJABF-UHFFFAOYSA-N 0 0 605.652 4.766 50 5 KJBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCN3CCc4ccccc4C3)cnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000102132492 554886734 /nfs/dbraw/zinc/88/67/34/554886734.db2.gz GYMGGVNYOQHSRX-UHFFFAOYSA-N 0 0 574.682 4.683 50 5 KJBARN COc1ccc(CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC000102132496 554886742 /nfs/dbraw/zinc/88/67/42/554886742.db2.gz YOQINSAXXOEXEC-UHFFFAOYSA-N 0 0 579.654 4.885 50 5 KJBARN COc1ccc(OC)c(CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000102132498 554886704 /nfs/dbraw/zinc/88/67/04/554886704.db2.gz URGIGSRERNZHRN-UHFFFAOYSA-N 0 0 579.654 4.885 50 5 KJBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cnn2-c2ccccc2)CC1 ZINC000102132549 554886707 /nfs/dbraw/zinc/88/67/07/554886707.db2.gz IDCFVDHKQDXAMU-UHFFFAOYSA-N 0 0 560.655 4.857 50 5 KJBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cnn2-c2cccc(F)c2)CC1 ZINC000102132736 554886862 /nfs/dbraw/zinc/88/68/62/554886862.db2.gz ORPXPTXJQGJRER-UHFFFAOYSA-N 0 0 578.645 4.997 50 5 KJBARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cnn2-c2ccc(F)cc2)CC1 ZINC000102132836 554887086 /nfs/dbraw/zinc/88/70/86/554887086.db2.gz BLFVVYFQIPPDIX-UHFFFAOYSA-N 0 0 578.645 4.997 50 5 KJBARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c2)N3)C1 ZINC000102146229 554889274 /nfs/dbraw/zinc/88/92/74/554889274.db2.gz MKHRFIWFIOWIEA-NRFANRHFSA-N 0 0 539.526 4.726 50 5 KJBARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c2)N3)C1 ZINC000102146234 554889335 /nfs/dbraw/zinc/88/93/35/554889335.db2.gz MKHRFIWFIOWIEA-OAQYLSRUSA-N 0 0 539.526 4.726 50 5 KJBARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000102170362 554891481 /nfs/dbraw/zinc/89/14/81/554891481.db2.gz YHNXJFCKOWITEF-DLENHJPASA-N 0 0 528.562 4.549 50 5 KJBARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000102170370 554891445 /nfs/dbraw/zinc/89/14/45/554891445.db2.gz YHNXJFCKOWITEF-VSRDTVRMSA-N 0 0 528.562 4.549 50 5 KJBARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)c12 ZINC000102203033 554895874 /nfs/dbraw/zinc/89/58/74/554895874.db2.gz MWMUIYCJBQMTLM-UHFFFAOYSA-N 0 0 534.020 4.846 50 5 KJBARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000102229969 554900019 /nfs/dbraw/zinc/90/00/19/554900019.db2.gz FVXBYBBGPQDVTM-UHFFFAOYSA-N 0 0 574.596 4.895 50 5 KJBARN Cc1nn(-c2ccccc2)c2nc(C3CCOCC3)nc(N3CCN(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)c12 ZINC000102245133 554903408 /nfs/dbraw/zinc/90/34/08/554903408.db2.gz DJPRGTQTKRYWOU-UHFFFAOYSA-N 0 0 562.030 4.542 50 5 KJBARN COc1ccccc1CNC(=O)CSc1nc2ccc(Cl)cc2c2nc(=O)c(-c3ccc(F)cc3)nn12 ZINC000102347316 554913379 /nfs/dbraw/zinc/91/33/79/554913379.db2.gz OJKLGAVGZCPFFS-UHFFFAOYSA-N 0 0 535.988 4.514 50 5 KJBARN CCOCCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)n1 ZINC000102422386 554925419 /nfs/dbraw/zinc/92/54/19/554925419.db2.gz OGRCWIDQOOUACH-UHFFFAOYSA-N 0 0 551.943 4.892 50 5 KJBARN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCN(c6ccc([N+](=O)[O-])cc6)CC5)C4=O)cc3)sc2c1 ZINC000102426062 554926158 /nfs/dbraw/zinc/92/61/58/554926158.db2.gz OCPPKYLAFICUSP-DEOSSOPVSA-N 0 0 527.606 4.634 50 5 KJBARN CCOc1c(I)cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1I ZINC000102440891 554929504 /nfs/dbraw/zinc/92/95/04/554929504.db2.gz ZOQTWSRYDJNLRY-NVNXTCNLSA-N 0 0 590.111 4.547 50 5 KJBARN COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2cc1OC ZINC000102455026 554934393 /nfs/dbraw/zinc/93/43/93/554934393.db2.gz KTOUBDYTONPAPJ-UHFFFAOYSA-N 0 0 548.508 4.929 50 5 KJBARN CCOC(=O)c1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])o3)nc3ccc(I)cc3c2=O)cc1 ZINC000102455529 554934340 /nfs/dbraw/zinc/93/43/40/554934340.db2.gz DIOUZECFOWSQRR-DHZHZOJOSA-N 0 0 557.300 4.839 50 5 KJBARN COC(=O)c1ccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000102459331 554935100 /nfs/dbraw/zinc/93/51/00/554935100.db2.gz XULDPQKNMMHKDZ-UHFFFAOYSA-N 0 0 529.752 4.786 50 5 KJBARN CCCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=Cc5ccccc5N4[C@@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 ZINC000102462735 554935306 /nfs/dbraw/zinc/93/53/06/554935306.db2.gz UYRBCFZFYGQGLG-LAJGZZDBSA-N 0 0 552.587 4.802 50 5 KJBARN CCCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=Cc4ccccc4N2[C@@H]3C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000102463078 554935513 /nfs/dbraw/zinc/93/55/13/554935513.db2.gz JGOGKBRAAGBWCH-HPQIJTKRSA-N 0 0 580.597 4.580 50 5 KJBARN CCCCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@@H]34)C2O)cc1 ZINC000102466706 554935948 /nfs/dbraw/zinc/93/59/48/554935948.db2.gz APSRNAYXLDSNQB-LAJGZZDBSA-N 0 0 565.582 4.824 50 5 KJBARN COc1cc(-c2nc(NC(C)=O)c3c(=O)oc4ccccc4c3n2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000102494002 554939990 /nfs/dbraw/zinc/93/99/90/554939990.db2.gz JWTFCCGKNFZRBE-UHFFFAOYSA-N 0 0 524.533 4.696 50 5 KJBARN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000102539478 554957068 /nfs/dbraw/zinc/95/70/68/554957068.db2.gz CCJHHQBNWVNZIA-BUUDZMLXSA-N 0 0 512.518 4.708 50 5 KJBARN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000102539495 554956999 /nfs/dbraw/zinc/95/69/99/554956999.db2.gz RDFBLFHZIOUACG-BUUDZMLXSA-N 0 0 512.518 4.708 50 5 KJBARN Cc1ccc2c(c1)/C(=C/c1nc3ccc(I)cc3c(=O)n1-c1ccc([N+](=O)[O-])cc1)C(=O)N2C ZINC000102549291 554960786 /nfs/dbraw/zinc/96/07/86/554960786.db2.gz BGUABPQIQMWPOF-UYRXBGFRSA-N 0 0 564.339 4.724 50 5 KJBARN COCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1OC)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000102558438 554965841 /nfs/dbraw/zinc/96/58/41/554965841.db2.gz VDZDZIVLEVERJJ-UHFFFAOYSA-N 0 0 559.623 4.837 50 5 KJBARN COc1ccc(NC(=S)N[C@H](NSc2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000102580356 554972255 /nfs/dbraw/zinc/97/22/55/554972255.db2.gz ISRNRONMFLCLOV-CQSZACIVSA-N 0 0 526.811 4.791 50 5 KJBARN COc1ccc(NC(=S)N[C@@H](NSc2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000102580360 554972214 /nfs/dbraw/zinc/97/22/14/554972214.db2.gz ISRNRONMFLCLOV-AWEZNQCLSA-N 0 0 526.811 4.791 50 5 KJBARN COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@H](NSc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000102580365 554972172 /nfs/dbraw/zinc/97/21/72/554972172.db2.gz GGHFUSVIQSHJAK-CQSZACIVSA-N 0 0 526.811 4.791 50 5 KJBARN COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@@H](NSc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000102580368 554972225 /nfs/dbraw/zinc/97/22/25/554972225.db2.gz GGHFUSVIQSHJAK-AWEZNQCLSA-N 0 0 526.811 4.791 50 5 KJBARN Cc1cccc(NC(=O)CSc2nnc3c4sc5nc(N6CCOCC6)c6c(c5c4ncn23)CC(C)(C)OC6)c1 ZINC000102586898 554973606 /nfs/dbraw/zinc/97/36/06/554973606.db2.gz YNJUTYHFPSHVNW-UHFFFAOYSA-N 0 0 575.720 4.614 50 5 KJBARN COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000102597581 554977067 /nfs/dbraw/zinc/97/70/67/554977067.db2.gz DYXMMAUDEKVKDS-UHFFFAOYSA-N 0 0 532.553 4.642 50 5 KJBARN CC(=O)c1ccc(NC(=O)CSc2nnc3c4sc5nc(N6CCOCC6)c6c(c5c4ncn23)CC(C)(C)OC6)cc1 ZINC000102598719 554977403 /nfs/dbraw/zinc/97/74/03/554977403.db2.gz FOQFEKCBRMUPNH-UHFFFAOYSA-N 0 0 603.730 4.509 50 5 KJBARN COc1ccc(-n2ncc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000102607903 554979825 /nfs/dbraw/zinc/97/98/25/554979825.db2.gz KPGARWVFIQODCK-UHFFFAOYSA-N 0 0 590.681 4.866 50 5 KJBARN COc1ccc([C@H]2OC(c3ccc(Br)cc3)=NN2C(C)=O)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000102618620 554985552 /nfs/dbraw/zinc/98/55/52/554985552.db2.gz JRMMOBRULSNZAP-JOCHJYFZSA-N 0 0 593.232 4.921 50 5 KJBARN COc1ccc([C@@H]2OC(c3ccc(Br)cc3)=NN2C(C)=O)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000102618625 554985525 /nfs/dbraw/zinc/98/55/25/554985525.db2.gz JRMMOBRULSNZAP-QFIPXVFZSA-N 0 0 593.232 4.921 50 5 KJBARN O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000102619943 554986220 /nfs/dbraw/zinc/98/62/20/554986220.db2.gz MHOQIPDGEULJAT-HMAPJEAMSA-N 0 0 526.965 4.780 50 5 KJBARN CC1=NC(=S)N[C@@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1C(=O)OCc1ccccc1 ZINC000102620067 554986550 /nfs/dbraw/zinc/98/65/50/554986550.db2.gz MYOUMRIFNIOFQY-SANMLTNESA-N 0 0 525.590 4.984 50 5 KJBARN CC1=NC(=S)N[C@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1C(=O)OCc1ccccc1 ZINC000102620071 554986544 /nfs/dbraw/zinc/98/65/44/554986544.db2.gz MYOUMRIFNIOFQY-AREMUKBSSA-N 0 0 525.590 4.984 50 5 KJBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1 ZINC000102620290 554986605 /nfs/dbraw/zinc/98/66/05/554986605.db2.gz HRMOFFUWYHAJQB-UHFFFAOYSA-N 0 0 546.580 4.817 50 5 KJBARN O=C(N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000102620745 554986930 /nfs/dbraw/zinc/98/69/30/554986930.db2.gz QGLYUJQNHLZERD-AWEZNQCLSA-N 0 0 526.627 4.770 50 5 KJBARN O=C(N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000102620749 554986817 /nfs/dbraw/zinc/98/68/17/554986817.db2.gz QGLYUJQNHLZERD-CQSZACIVSA-N 0 0 526.627 4.770 50 5 KJBARN CCCC(=O)N(c1ccc(N(C(=O)CCC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000102629047 554989010 /nfs/dbraw/zinc/98/90/10/554989010.db2.gz GCRPMEMZQZBFEF-UHFFFAOYSA-N 0 0 618.646 4.547 50 5 KJBARN CC(C)(C)OC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@H]2c3ccccc3C=NN12 ZINC000102631601 554989591 /nfs/dbraw/zinc/98/95/91/554989591.db2.gz IHDWWOZGCSNCIG-RBZQAINGSA-N 0 0 561.591 4.540 50 5 KJBARN CC(C)(C)OC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@@H]2c3ccccc3C=NN12 ZINC000102631606 554989637 /nfs/dbraw/zinc/98/96/37/554989637.db2.gz IHDWWOZGCSNCIG-VXNXHJTFSA-N 0 0 561.591 4.540 50 5 KJBARN COc1ccccc1N1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2C(=O)N2CCCC2)CC1 ZINC000102649335 554994730 /nfs/dbraw/zinc/99/47/30/554994730.db2.gz RANPMFSRXZLDAY-UHFFFAOYSA-N 0 0 544.612 4.810 50 5 KJBARN Cc1cc(C)cc(-n2c(=O)c3ccc(C(=O)N4CCOCC4)cc3nc2SCc2cccc([N+](=O)[O-])c2)c1 ZINC000102682021 555006205 /nfs/dbraw/zinc/00/62/05/555006205.db2.gz XUAJLMXCUAUJDL-UHFFFAOYSA-N 0 0 530.606 4.675 50 5 KJBARN Cc1cc(C)cc(-n2c(=O)c3ccc(C(=O)N4CCOCC4)cc3nc2SCc2ccc([N+](=O)[O-])cc2)c1 ZINC000102682028 555006185 /nfs/dbraw/zinc/00/61/85/555006185.db2.gz ZJGFFUTZBZDFOT-UHFFFAOYSA-N 0 0 530.606 4.675 50 5 KJBARN CC1CCN(c2nc(-c3ccccc3)nc3c2CN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC3)CC1 ZINC000102693975 555009426 /nfs/dbraw/zinc/00/94/26/555009426.db2.gz HGHUNFHJTQWVMH-UHFFFAOYSA-N 0 0 528.034 4.689 50 5 KJBARN COc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000102697262 555011950 /nfs/dbraw/zinc/01/19/50/555011950.db2.gz UMKWCQWKDMGFFE-HNNXBMFYSA-N 0 0 556.653 4.779 50 5 KJBARN COc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000102697265 555011922 /nfs/dbraw/zinc/01/19/22/555011922.db2.gz UMKWCQWKDMGFFE-OAHLLOKOSA-N 0 0 556.653 4.779 50 5 KJBARN CCOC(=O)c1ccc(NC(=O)NCc2nnc(SCc3cccc(OC)c3)n2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102700713 555013046 /nfs/dbraw/zinc/01/30/46/555013046.db2.gz GPSLXROSSWSISA-UHFFFAOYSA-N 0 0 562.608 4.975 50 5 KJBARN COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccccc4)C(=O)[C@]32c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102705599 555014393 /nfs/dbraw/zinc/01/43/93/555014393.db2.gz TUWUSSJXODWDSL-VWYPKUQYSA-N 0 0 521.529 4.976 50 5 KJBARN CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3OC)S(=O)(=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102735350 555025359 /nfs/dbraw/zinc/02/53/59/555025359.db2.gz NECKWOBCLTWUCC-FQKMCRJQSA-N 0 0 554.577 4.521 50 5 KJBARN CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3OC)S(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102735353 555025323 /nfs/dbraw/zinc/02/53/23/555025323.db2.gz NECKWOBCLTWUCC-CRCYZHLCSA-N 0 0 554.577 4.521 50 5 KJBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102735982 555026181 /nfs/dbraw/zinc/02/61/81/555026181.db2.gz KARGIIANLDRNMK-RJGXRXQPSA-N 0 0 500.898 4.848 50 5 KJBARN CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)S(=O)(=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102736105 555026136 /nfs/dbraw/zinc/02/61/36/555026136.db2.gz XGYVDERMPPTNJG-LMVGNEGFSA-N 0 0 554.577 4.521 50 5 KJBARN CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)S(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102736108 555026231 /nfs/dbraw/zinc/02/62/31/555026231.db2.gz XGYVDERMPPTNJG-JYXZFHPPSA-N 0 0 554.577 4.521 50 5 KJBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000102739122 555027708 /nfs/dbraw/zinc/02/77/08/555027708.db2.gz XDJVBOVYZPVUFC-DNVJHFABSA-N 0 0 544.347 4.970 50 5 KJBARN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102740851 555029736 /nfs/dbraw/zinc/02/97/36/555029736.db2.gz JXJTWXJZSZYYJA-DNVJHFABSA-N 0 0 522.355 4.971 50 5 KJBARN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000102742450 555031681 /nfs/dbraw/zinc/03/16/81/555031681.db2.gz RXTZBZXMDAUWOR-TWJOJJKGSA-N 0 0 517.538 4.833 50 5 KJBARN COc1ccccc1Cn1c(=O)c2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2nc1SCc1cccc([N+](=O)[O-])c1 ZINC000102746740 555039676 /nfs/dbraw/zinc/03/96/76/555039676.db2.gz JNQOUSZTTMTZMF-UHFFFAOYSA-N 0 0 602.669 4.633 50 5 KJBARN COc1ccc(CCNC(=O)CCCn2c(=O)c3ccccc3nc2SCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000102749474 555043739 /nfs/dbraw/zinc/04/37/39/555043739.db2.gz NTEIBIPMQUDEOA-UHFFFAOYSA-N 0 0 562.648 4.753 50 5 KJBARN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102753993 555046098 /nfs/dbraw/zinc/04/60/98/555046098.db2.gz CULCPBQILUMGDD-OYUWMTPXSA-N 0 0 535.512 4.865 50 5 KJBARN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102753994 555046046 /nfs/dbraw/zinc/04/60/46/555046046.db2.gz CULCPBQILUMGDD-ZONZVBGPSA-N 0 0 535.512 4.865 50 5 KJBARN O=C(NC[C@@H]1CCCO1)C1CCC(Cn2c(=O)c3ccccc3nc2SCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000102754399 555046224 /nfs/dbraw/zinc/04/62/24/555046224.db2.gz UBUYYBSZQUSQRC-IRSIHTCSSA-N 0 0 536.654 4.699 50 5 KJBARN O=C(NC[C@H]1CCCO1)C1CCC(Cn2c(=O)c3ccccc3nc2SCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000102754404 555046276 /nfs/dbraw/zinc/04/62/76/555046276.db2.gz UBUYYBSZQUSQRC-POOLCLQXSA-N 0 0 536.654 4.699 50 5 KJBARN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000102755383 555047430 /nfs/dbraw/zinc/04/74/30/555047430.db2.gz NHTXPMUVVKFOGS-UPRLRBBYSA-N 0 0 549.539 4.861 50 5 KJBARN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000102755389 555047417 /nfs/dbraw/zinc/04/74/17/555047417.db2.gz NHTXPMUVVKFOGS-JCYYIGJDSA-N 0 0 549.539 4.861 50 5 KJBARN O=C(CCCCCn1c(=O)c2cc3c(cc2nc1SCc1cccc([N+](=O)[O-])c1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000102755785 555048208 /nfs/dbraw/zinc/04/82/08/555048208.db2.gz UJIZJQWEXROCTO-UHFFFAOYSA-N 0 0 604.641 4.931 50 5 KJBARN O=C(CCCCCn1c(=O)c2cc3c(cc2nc1SCc1ccc([N+](=O)[O-])cc1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000102755787 555048209 /nfs/dbraw/zinc/04/82/09/555048209.db2.gz MMISGAIHEDHCJN-UHFFFAOYSA-N 0 0 604.641 4.931 50 5 KJBARN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102756016 555048816 /nfs/dbraw/zinc/04/88/16/555048816.db2.gz KGBLZUFTTAWBDC-ZONZVBGPSA-N 0 0 535.512 4.865 50 5 KJBARN C[C@@H](c1ccccc1Cl)N(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000102756412 555048966 /nfs/dbraw/zinc/04/89/66/555048966.db2.gz BHUJDOPTBNYEGD-SFHVURJKSA-N 0 0 563.998 4.698 50 5 KJBARN C[C@H](c1ccccc1Cl)N(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000102756415 555049063 /nfs/dbraw/zinc/04/90/63/555049063.db2.gz BHUJDOPTBNYEGD-GOSISDBHSA-N 0 0 563.998 4.698 50 5 KJBARN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102758093 555050208 /nfs/dbraw/zinc/05/02/08/555050208.db2.gz JKALMILGQCTTEK-TWJOJJKGSA-N 0 0 517.538 4.833 50 5 KJBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000102758315 193917365 /nfs/dbraw/zinc/91/73/65/193917365.db2.gz SMCKRAPUDIDSSG-ZONZVBGPSA-N 0 0 525.517 4.816 50 5 KJBARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000102758671 555050626 /nfs/dbraw/zinc/05/06/26/555050626.db2.gz KTGJPNGCODAZTE-DNVJHFABSA-N 0 0 538.354 4.725 50 5 KJBARN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1cccc([N+](=O)[O-])c1 ZINC000102759433 555051218 /nfs/dbraw/zinc/05/12/18/555051218.db2.gz ZHOHUBOBSUQXHY-YPAWHYETSA-N 0 0 542.317 4.556 50 5 KJBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102759785 555051566 /nfs/dbraw/zinc/05/15/66/555051566.db2.gz YCWQKBYHWRTJHQ-PWRODBHTSA-N 0 0 512.291 4.548 50 5 KJBARN COc1ccccc1N1C(=O)[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000102760053 555051712 /nfs/dbraw/zinc/05/17/12/555051712.db2.gz HXEWDDRSXPSICH-BHIFYINESA-N 0 0 514.321 4.961 50 5 KJBARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000102761239 555052424 /nfs/dbraw/zinc/05/24/24/555052424.db2.gz PQOCXMGKHRLBJX-YPAWHYETSA-N 0 0 542.317 4.556 50 5 KJBARN Cc1ccc(NC(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCCC1 ZINC000102778594 555064579 /nfs/dbraw/zinc/06/45/79/555064579.db2.gz SHHRYJFQLYARIE-INIZCTEOSA-N 0 0 528.553 4.926 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000102780062 555065319 /nfs/dbraw/zinc/06/53/19/555065319.db2.gz JAXKLZHMJMPRPZ-ZSJKCPIUSA-N 0 0 610.044 4.637 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000102780065 555065427 /nfs/dbraw/zinc/06/54/27/555065427.db2.gz JAXKLZHMJMPRPZ-QARYAGPDSA-N 0 0 610.044 4.637 50 5 KJBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000102832950 555079513 /nfs/dbraw/zinc/07/95/13/555079513.db2.gz FVHJGJBPOBXKSM-HNNXBMFYSA-N 0 0 525.461 4.699 50 5 KJBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000102832952 555079511 /nfs/dbraw/zinc/07/95/11/555079511.db2.gz FVHJGJBPOBXKSM-OAHLLOKOSA-N 0 0 525.461 4.699 50 5 KJBARN CCCCCCn1nc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccccc2c1=O ZINC000102833464 555079550 /nfs/dbraw/zinc/07/95/50/555079550.db2.gz WYTWOOQSHJDMPH-UHFFFAOYSA-N 0 0 531.535 4.866 50 5 KJBARN CC[C@@H](C)NC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1C ZINC000102835266 555079800 /nfs/dbraw/zinc/07/98/00/555079800.db2.gz LTONJSYNNZDLRG-LJQANCHMSA-N 0 0 555.657 4.811 50 5 KJBARN CC[C@H](C)NC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1C ZINC000102835272 555079803 /nfs/dbraw/zinc/07/98/03/555079803.db2.gz LTONJSYNNZDLRG-IBGZPJMESA-N 0 0 555.657 4.811 50 5 KJBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cc(C)ccc1C ZINC000102835948 555079895 /nfs/dbraw/zinc/07/98/95/555079895.db2.gz SSXNSJNJPIQYNP-LJQANCHMSA-N 0 0 555.657 4.811 50 5 KJBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cc(C)ccc1C ZINC000102835951 555079944 /nfs/dbraw/zinc/07/99/44/555079944.db2.gz SSXNSJNJPIQYNP-IBGZPJMESA-N 0 0 555.657 4.811 50 5 KJBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1ccc(C)cc1 ZINC000102835966 555080026 /nfs/dbraw/zinc/08/00/26/555080026.db2.gz WCIMZTNCFWKOCG-GOSISDBHSA-N 0 0 541.630 4.502 50 5 KJBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1ccc(C)cc1 ZINC000102835968 555079912 /nfs/dbraw/zinc/07/99/12/555079912.db2.gz WCIMZTNCFWKOCG-SFHVURJKSA-N 0 0 541.630 4.502 50 5 KJBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1ccc(C)cc1 ZINC000102835976 555079902 /nfs/dbraw/zinc/07/99/02/555079902.db2.gz DPHAEEZGJHUQGL-LJQANCHMSA-N 0 0 578.651 4.591 50 5 KJBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1ccc(C)cc1 ZINC000102835978 555079979 /nfs/dbraw/zinc/07/99/79/555079979.db2.gz DPHAEEZGJHUQGL-IBGZPJMESA-N 0 0 578.651 4.591 50 5 KJBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cccc(C)c1C ZINC000102835979 555080266 /nfs/dbraw/zinc/08/02/66/555080266.db2.gz FJXCQIDOZTUDQU-GOSISDBHSA-N 0 0 555.657 4.811 50 5 KJBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cccc(C)c1C ZINC000102835982 555080275 /nfs/dbraw/zinc/08/02/75/555080275.db2.gz FJXCQIDOZTUDQU-SFHVURJKSA-N 0 0 555.657 4.811 50 5 KJBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1cccc(C)c1C ZINC000102835990 555080258 /nfs/dbraw/zinc/08/02/58/555080258.db2.gz NESQDMAGGGJHKC-LJQANCHMSA-N 0 0 592.678 4.900 50 5 KJBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1cccc(C)c1C ZINC000102835992 555080234 /nfs/dbraw/zinc/08/02/34/555080234.db2.gz NESQDMAGGGJHKC-IBGZPJMESA-N 0 0 592.678 4.900 50 5 KJBARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2 ZINC000102862125 555092176 /nfs/dbraw/zinc/09/21/76/555092176.db2.gz NOPYBGDZQFYFSS-RBZQAINGSA-N 0 0 547.589 4.681 50 5 KJBARN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000102862258 555092198 /nfs/dbraw/zinc/09/21/98/555092198.db2.gz NILNZZSEIZWHAH-FDFHNCONSA-N 0 0 521.551 4.501 50 5 KJBARN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O ZINC000102862262 555092297 /nfs/dbraw/zinc/09/22/97/555092297.db2.gz NILNZZSEIZWHAH-BHIFYINESA-N 0 0 521.551 4.501 50 5 KJBARN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000102863234 555092956 /nfs/dbraw/zinc/09/29/56/555092956.db2.gz ULOLGBZDOHNAAX-FDFHNCONSA-N 0 0 521.551 4.501 50 5 KJBARN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O ZINC000102863239 555092961 /nfs/dbraw/zinc/09/29/61/555092961.db2.gz ULOLGBZDOHNAAX-BHIFYINESA-N 0 0 521.551 4.501 50 5 KJBARN CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2 ZINC000102863285 555093245 /nfs/dbraw/zinc/09/32/45/555093245.db2.gz YOOHXOKNVQNNGU-KMDXXIMOSA-N 0 0 547.589 4.763 50 5 KJBARN CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C1=O)CCCC2 ZINC000102863289 555093219 /nfs/dbraw/zinc/09/32/19/555093219.db2.gz YOOHXOKNVQNNGU-TZRRMPRUSA-N 0 0 547.589 4.763 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1Br ZINC000102866883 555096385 /nfs/dbraw/zinc/09/63/85/555096385.db2.gz MAIXRGDQKGBNEC-BELIEFIBSA-N 0 0 574.387 4.639 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1Br ZINC000102869549 555099181 /nfs/dbraw/zinc/09/91/81/555099181.db2.gz OVECCIZGBGVJJX-ZCLKUGBOSA-N 0 0 588.414 4.947 50 5 KJBARN Cc1ccc(C(=O)Nc2ccc3c(c2)OCCOCCOCCOCCO3)c([N+](=O)[O-])c1OCc1ccccc1 ZINC000102884727 555114216 /nfs/dbraw/zinc/11/42/16/555114216.db2.gz KBHPRECNXUOXJY-UHFFFAOYSA-N 0 0 552.580 4.556 50 5 KJBARN COc1ccc(CN2CCN(C(=O)c3ccccc3C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)c(OC)c1OC ZINC000102885025 555115081 /nfs/dbraw/zinc/11/50/81/555115081.db2.gz YKSZYQPSLYMWBA-UHFFFAOYSA-N 0 0 565.648 4.532 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1Br ZINC000102888149 555120727 /nfs/dbraw/zinc/12/07/27/555120727.db2.gz ZOPSTIZTHKWYBF-WSOYEBOPSA-N 0 0 574.387 4.764 50 5 KJBARN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000102889682 555124297 /nfs/dbraw/zinc/12/42/97/555124297.db2.gz HUFMLFFVGLRPHU-PFBJBMPXSA-N 0 0 580.509 4.773 50 5 KJBARN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000102889687 555124223 /nfs/dbraw/zinc/12/42/23/555124223.db2.gz HUFMLFFVGLRPHU-VJGNERBWSA-N 0 0 580.509 4.773 50 5 KJBARN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O ZINC000102892744 555129285 /nfs/dbraw/zinc/12/92/85/555129285.db2.gz BCBUTPALVKTCJX-XPNTWCBSSA-N 0 0 554.353 4.513 50 5 KJBARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O ZINC000102892747 555129268 /nfs/dbraw/zinc/12/92/68/555129268.db2.gz BCBUTPALVKTCJX-XJUOHMSHSA-N 0 0 554.353 4.513 50 5 KJBARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12 ZINC000102893233 555130181 /nfs/dbraw/zinc/13/01/81/555130181.db2.gz PDTKWHWUXPKTSO-GCXHJFECSA-N 0 0 585.572 4.821 50 5 KJBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102893272 555130578 /nfs/dbraw/zinc/13/05/78/555130578.db2.gz NACQJOHCJVBLGN-FCEKVYKBSA-N 0 0 565.538 4.874 50 5 KJBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102893275 555130604 /nfs/dbraw/zinc/13/06/04/555130604.db2.gz NACQJOHCJVBLGN-IARZGTGTSA-N 0 0 565.538 4.874 50 5 KJBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000102893660 555131418 /nfs/dbraw/zinc/13/14/18/555131418.db2.gz YKMBVPJNCUGXTC-SJBKTWHCSA-N 0 0 574.771 4.776 50 5 KJBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000102893664 555131277 /nfs/dbraw/zinc/13/12/77/555131277.db2.gz YKMBVPJNCUGXTC-VWPQPMDRSA-N 0 0 574.771 4.776 50 5 KJBARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102895217 555133818 /nfs/dbraw/zinc/13/38/18/555133818.db2.gz JJWRMUDJDIYGKZ-FCEKVYKBSA-N 0 0 565.538 4.874 50 5 KJBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102895221 555133782 /nfs/dbraw/zinc/13/37/82/555133782.db2.gz JJWRMUDJDIYGKZ-IARZGTGTSA-N 0 0 565.538 4.874 50 5 KJBARN COc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102899455 555139058 /nfs/dbraw/zinc/13/90/58/555139058.db2.gz NFRUHNDXORRJRJ-NLDZOOGBSA-N 0 0 579.565 4.869 50 5 KJBARN COc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102899460 555139054 /nfs/dbraw/zinc/13/90/54/555139054.db2.gz NFRUHNDXORRJRJ-NHKHRBQYSA-N 0 0 579.565 4.869 50 5 KJBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000102901310 555139955 /nfs/dbraw/zinc/13/99/55/555139955.db2.gz LMPOLUMVNPXRKI-AREMUKBSSA-N 0 0 540.594 4.959 50 5 KJBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000102901313 555139936 /nfs/dbraw/zinc/13/99/36/555139936.db2.gz LMPOLUMVNPXRKI-SANMLTNESA-N 0 0 540.594 4.959 50 5 KJBARN O=C(CCn1c(=O)oc2ccccc21)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000102907420 555141320 /nfs/dbraw/zinc/14/13/20/555141320.db2.gz MRBRHMHZHDKTJT-QFIPXVFZSA-N 0 0 540.326 4.579 50 5 KJBARN O=C(CCn1c(=O)oc2ccccc21)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000102907421 555141315 /nfs/dbraw/zinc/14/13/15/555141315.db2.gz MRBRHMHZHDKTJT-JOCHJYFZSA-N 0 0 540.326 4.579 50 5 KJBARN O=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000102909047 555141985 /nfs/dbraw/zinc/14/19/85/555141985.db2.gz PYHZEHVNSFMADR-UHFFFAOYSA-N 0 0 522.507 4.750 50 5 KJBARN CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000102918704 555144578 /nfs/dbraw/zinc/14/45/78/555144578.db2.gz OYALPAXLCZDERD-JOCHJYFZSA-N 0 0 590.452 4.519 50 5 KJBARN CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000102918707 555144564 /nfs/dbraw/zinc/14/45/64/555144564.db2.gz OYALPAXLCZDERD-QFIPXVFZSA-N 0 0 590.452 4.519 50 5 KJBARN CN(C)c1ccc([P@@](=O)(Nc2ccc([N+](=O)[O-])cc2)N2CCOCC2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000102919264 555144889 /nfs/dbraw/zinc/14/48/89/555144889.db2.gz ZBFHHFUADDTCPN-DIPNUNPCSA-N 0 0 543.948 4.829 50 5 KJBARN CN(C)c1ccc([P@](=O)(Nc2ccc([N+](=O)[O-])cc2)N2CCOCC2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000102919267 555144905 /nfs/dbraw/zinc/14/49/05/555144905.db2.gz ZBFHHFUADDTCPN-QNGWXLTQSA-N 0 0 543.948 4.829 50 5 KJBARN CC(C)C[C@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000102927723 555152453 /nfs/dbraw/zinc/15/24/53/555152453.db2.gz RMRZBHXMRGSJKA-QHCPKHFHSA-N 0 0 599.081 4.961 50 5 KJBARN CC(C)C[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000102927726 555152414 /nfs/dbraw/zinc/15/24/14/555152414.db2.gz RMRZBHXMRGSJKA-HSZRJFAPSA-N 0 0 599.081 4.961 50 5 KJBARN CCOC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nn1-c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000102927887 555152704 /nfs/dbraw/zinc/15/27/04/555152704.db2.gz LJWLKIQDQCWDGL-UHFFFAOYSA-N 0 0 568.652 4.693 50 5 KJBARN COc1cccc([N+](=O)[O-])c1NC(=S)N[C@H](NC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000102929981 555156157 /nfs/dbraw/zinc/15/61/57/555156157.db2.gz TXJKYZBPGCRUHL-HNNXBMFYSA-N 0 0 556.653 4.779 50 5 KJBARN COc1cccc([N+](=O)[O-])c1NC(=S)N[C@@H](NC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000102929983 555156250 /nfs/dbraw/zinc/15/62/50/555156250.db2.gz TXJKYZBPGCRUHL-OAHLLOKOSA-N 0 0 556.653 4.779 50 5 KJBARN CCOC(=O)c1ccc(NC(=O)c2c(N)c(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])sc2Nc2ccc(F)cc2)cc1 ZINC000102930819 555158028 /nfs/dbraw/zinc/15/80/28/555158028.db2.gz TWDXHOMYVULLGN-DEOSSOPVSA-N 0 0 593.593 4.955 50 5 KJBARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000102933953 555161274 /nfs/dbraw/zinc/16/12/74/555161274.db2.gz PLISPITVHGRNGM-UHFFFAOYSA-N 0 0 549.634 4.602 50 5 KJBARN COC(=O)c1cc2c(s1)N=C(c1ccccc1)N(C)[P@]2(=Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000102940598 555169483 /nfs/dbraw/zinc/16/94/83/555169483.db2.gz NCBWJZNNOIZXNK-DHUJRADRSA-N 0 0 525.527 4.787 50 5 KJBARN COC(=O)c1cc2c(s1)N=C(c1ccccc1)N(C)[P@@]2(=Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000102940601 555169469 /nfs/dbraw/zinc/16/94/69/555169469.db2.gz NCBWJZNNOIZXNK-PGUFJCEWSA-N 0 0 525.527 4.787 50 5 KJBARN O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000102955739 555173732 /nfs/dbraw/zinc/17/37/32/555173732.db2.gz AUAUYPOYQXZQIL-UHFFFAOYSA-N 0 0 586.070 4.738 50 5 KJBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(F)(F)F)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000102957369 555174231 /nfs/dbraw/zinc/17/42/31/555174231.db2.gz GOHCTFOOAOUQPR-UHFFFAOYSA-N 0 0 568.486 4.912 50 5 KJBARN COc1ccc(N(S(=O)(=O)c2ccc3ccccc3c2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000102973624 555183502 /nfs/dbraw/zinc/18/35/02/555183502.db2.gz QDLGRHFOMRXNIH-UHFFFAOYSA-N 0 0 532.983 4.994 50 5 KJBARN CCOc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OCC)c4)[C@@H]3C2=O)c1 ZINC000102973692 555183575 /nfs/dbraw/zinc/18/35/75/555183575.db2.gz HOOJZYRVUJCISB-JBRSBNLGSA-N 0 0 598.406 4.911 50 5 KJBARN CCOc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OCC)c4)[C@H]3C2=O)c1 ZINC000102973694 555183542 /nfs/dbraw/zinc/18/35/42/555183542.db2.gz HOOJZYRVUJCISB-VDKIKQQVSA-N 0 0 598.406 4.911 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCOCC1 ZINC000102985894 555190701 /nfs/dbraw/zinc/19/07/01/555190701.db2.gz QFAFEIHRBHLIOX-UHFFFAOYSA-N 0 0 531.978 4.530 50 5 KJBARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000102986451 555191109 /nfs/dbraw/zinc/19/11/09/555191109.db2.gz RJIHIOWPGJZBPL-QHCPKHFHSA-N 0 0 549.436 4.588 50 5 KJBARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000102986453 555191133 /nfs/dbraw/zinc/19/11/33/555191133.db2.gz RJIHIOWPGJZBPL-HSZRJFAPSA-N 0 0 549.436 4.588 50 5 KJBARN COc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)CCCC3)cc1 ZINC000102987284 555191150 /nfs/dbraw/zinc/19/11/50/555191150.db2.gz AAIGSTQENJXTOW-UHFFFAOYSA-N 0 0 553.593 4.909 50 5 KJBARN CCN(CC)S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 ZINC000102987681 555191348 /nfs/dbraw/zinc/19/13/48/555191348.db2.gz RSCQZZGYVOKYER-JWGURIENSA-N 0 0 555.012 4.919 50 5 KJBARN COc1cc(OC)c(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1OC ZINC000102988839 555191889 /nfs/dbraw/zinc/19/18/89/555191889.db2.gz IHMMMRPFKYEOEV-QFIPXVFZSA-N 0 0 545.342 4.920 50 5 KJBARN COc1cc(OC)c(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1OC ZINC000102988843 555191833 /nfs/dbraw/zinc/19/18/33/555191833.db2.gz IHMMMRPFKYEOEV-JOCHJYFZSA-N 0 0 545.342 4.920 50 5 KJBARN COC(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)Nc3ccc(OC)c(Br)c3)ccc2Cl)cc([N+](=O)[O-])c1 ZINC000102994271 555194555 /nfs/dbraw/zinc/19/45/55/555194555.db2.gz BKZQGATXKRSLLL-UHFFFAOYSA-N 0 0 598.815 4.859 50 5 KJBARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)n2-c2ccccc2)c1 ZINC000102998855 555198214 /nfs/dbraw/zinc/19/82/14/555198214.db2.gz XIHMXFMVJKAANH-UHFFFAOYSA-N 0 0 596.691 4.612 50 5 KJBARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2-c2ccccc2)c1 ZINC000103000801 555200773 /nfs/dbraw/zinc/20/07/73/555200773.db2.gz DWTWEUYJMYWIEP-UHFFFAOYSA-N 0 0 596.691 4.612 50 5 KJBARN COc1cc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000103003581 555202146 /nfs/dbraw/zinc/20/21/46/555202146.db2.gz IPLRMXKOZDJSAJ-GRSHGNNSSA-N 0 0 573.377 4.787 50 5 KJBARN COc1cc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000103003584 555202153 /nfs/dbraw/zinc/20/21/53/555202153.db2.gz IPLRMXKOZDJSAJ-VXLYETTFSA-N 0 0 573.377 4.787 50 5 KJBARN COc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000103003651 555202143 /nfs/dbraw/zinc/20/21/43/555202143.db2.gz NOQVPKFHHLVXOC-NVMNQCDNSA-N 0 0 573.923 4.586 50 5 KJBARN COc1cc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000103003654 555202159 /nfs/dbraw/zinc/20/21/59/555202159.db2.gz NOQVPKFHHLVXOC-GIJQJNRQSA-N 0 0 573.923 4.586 50 5 KJBARN COc1cccc(-n2c(=O)c3ccccc3nc2Sc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1 ZINC000103005475 555203670 /nfs/dbraw/zinc/20/36/70/555203670.db2.gz KUWDYZUEZPCRAX-UHFFFAOYSA-N 0 0 552.634 4.628 50 5 KJBARN Cc1ccc(-n2c(=O)c3ccccc3nc2Sc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(C)c1 ZINC000103005506 555203668 /nfs/dbraw/zinc/20/36/68/555203668.db2.gz XRVPHEHTRUNGEH-UHFFFAOYSA-N 0 0 536.635 4.846 50 5 KJBARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(C(=O)Nc4ccc5ccccc5c4)cc3[N+](=O)[O-])CC2)cc1 ZINC000103006598 555204124 /nfs/dbraw/zinc/20/41/24/555204124.db2.gz YMNQSTKHGJOPOC-UHFFFAOYSA-N 0 0 546.605 4.520 50 5 KJBARN Cc1c(NS(=O)(=O)c2ccc(Oc3cc(C)ccc3Cl)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000103006637 555204090 /nfs/dbraw/zinc/20/40/90/555204090.db2.gz ACXCEKFTOBEYFE-UHFFFAOYSA-N 0 0 528.974 4.948 50 5 KJBARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])n2-c2ccccc2)c1 ZINC000103007084 555204643 /nfs/dbraw/zinc/20/46/43/555204643.db2.gz RORPAMOFGYMSEN-UHFFFAOYSA-N 0 0 580.692 4.912 50 5 KJBARN CCn1c2ccccc2c2cc(NC(=O)C3CCN(c4ccc(S(=O)(=O)N5CCOCC5)cc4[N+](=O)[O-])CC3)ccc21 ZINC000103012189 555207066 /nfs/dbraw/zinc/20/70/66/555207066.db2.gz YYRDJZURFCPPRL-UHFFFAOYSA-N 0 0 591.690 4.599 50 5 KJBARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000103014981 555208736 /nfs/dbraw/zinc/20/87/36/555208736.db2.gz LEOTYOACWHKIRO-UHFFFAOYSA-N 0 0 519.568 4.744 50 5 KJBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000103017389 555209996 /nfs/dbraw/zinc/20/99/96/555209996.db2.gz HDZUKDGBQXCCSG-UHFFFAOYSA-N 0 0 543.623 4.927 50 5 KJBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000103017397 555210062 /nfs/dbraw/zinc/21/00/62/555210062.db2.gz KJQHTALLFZJOFF-UHFFFAOYSA-N 0 0 529.596 4.537 50 5 KJBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000103017406 555210360 /nfs/dbraw/zinc/21/03/60/555210360.db2.gz IDFUGBXVUWZQAE-UHFFFAOYSA-N 0 0 529.596 4.537 50 5 KJBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000103017414 555210248 /nfs/dbraw/zinc/21/02/48/555210248.db2.gz KVMHBVROWDIKHU-UHFFFAOYSA-N 0 0 531.612 4.783 50 5 KJBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000103017440 555210253 /nfs/dbraw/zinc/21/02/53/555210253.db2.gz XQZIVIPIIGBLEG-UHFFFAOYSA-N 0 0 543.623 4.539 50 5 KJBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000103017450 555210313 /nfs/dbraw/zinc/21/03/13/555210313.db2.gz BRFHTHDBRDUQKW-UHFFFAOYSA-N 0 0 538.003 4.656 50 5 KJBARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000103020988 555212052 /nfs/dbraw/zinc/21/20/52/555212052.db2.gz HUWUHRUJXVPSSJ-UHFFFAOYSA-N 0 0 566.101 4.874 50 5 KJBARN CCOCCCN(CC(=O)N(Cc1sccc1C)Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000103021215 555212508 /nfs/dbraw/zinc/21/25/08/555212508.db2.gz DWNZSEGSUOLDNF-UHFFFAOYSA-N 0 0 554.625 4.971 50 5 KJBARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)sc2c3CCC2)cc1 ZINC000103024497 555214828 /nfs/dbraw/zinc/21/48/28/555214828.db2.gz LZSULNMTSOCKCU-UHFFFAOYSA-N 0 0 552.634 4.901 50 5 KJBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000103025608 555215878 /nfs/dbraw/zinc/21/58/78/555215878.db2.gz OIJBSFILMCENAR-UHFFFAOYSA-N 0 0 546.001 4.876 50 5 KJBARN COc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2F)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000103026257 555216144 /nfs/dbraw/zinc/21/61/44/555216144.db2.gz BHEPLOMJEQBCHL-UHFFFAOYSA-N 0 0 529.880 4.508 50 5 KJBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F ZINC000103026734 1066220857 /nfs/dbraw/zinc/22/08/57/1066220857.db2.gz ZHRRKDACKUNOCD-FLIBITNWSA-N 0 0 527.521 4.753 50 5 KJBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F ZINC000103026737 555216749 /nfs/dbraw/zinc/21/67/49/555216749.db2.gz ZHRRKDACKUNOCD-DHZHZOJOSA-N 0 0 527.521 4.753 50 5 KJBARN CCCOc1ccc2cc(-c3csc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)n3)c(=O)oc2c1 ZINC000103026751 555216737 /nfs/dbraw/zinc/21/67/37/555216737.db2.gz IIPJMARVZBLKIK-UHFFFAOYSA-N 0 0 536.566 4.702 50 5 KJBARN CCCCc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC2)n1)CCCC3 ZINC000103036702 555223018 /nfs/dbraw/zinc/22/30/18/555223018.db2.gz IOHOTFAAMJBRES-UHFFFAOYSA-N 0 0 550.106 4.985 50 5 KJBARN Cc1sc2nc(CCc3ccccc3)nc(N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c2c1C ZINC000103037197 555223273 /nfs/dbraw/zinc/22/32/73/555223273.db2.gz GNNQPHUJCIVMFI-UHFFFAOYSA-N 0 0 537.667 4.512 50 5 KJBARN CCN1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5ccc(C)c([N+](=O)[O-])c5)CC4)c32)C1 ZINC000103037227 555223331 /nfs/dbraw/zinc/22/33/31/555223331.db2.gz MAPMOOKWMCPFQD-UHFFFAOYSA-N 0 0 556.692 4.839 50 5 KJBARN COc1cc(-c2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc([N+](=O)[O-])cc3Cl)no2)cc(OC)c1OC ZINC000103037886 555223498 /nfs/dbraw/zinc/22/34/98/555223498.db2.gz UTNDGHHHKFOWCX-SFHVURJKSA-N 0 0 531.949 4.750 50 5 KJBARN COc1cc(-c2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc([N+](=O)[O-])cc3Cl)no2)cc(OC)c1OC ZINC000103037891 555223463 /nfs/dbraw/zinc/22/34/63/555223463.db2.gz UTNDGHHHKFOWCX-GOSISDBHSA-N 0 0 531.949 4.750 50 5 KJBARN COCCN(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000103038117 555223644 /nfs/dbraw/zinc/22/36/44/555223644.db2.gz DUJOIDBMGSYYEY-UHFFFAOYSA-N 0 0 529.962 4.864 50 5 KJBARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1Cl)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(F)cc1 ZINC000103038252 555223940 /nfs/dbraw/zinc/22/39/40/555223940.db2.gz OJVMTRWHIUSNSR-NDEPHWFRSA-N 0 0 594.043 4.540 50 5 KJBARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1Cl)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(F)cc1 ZINC000103038254 555223990 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/nfs/dbraw/zinc/51/61/76/1066516176.db2.gz LBQVOVDUWGQAOX-QMDZLVRISA-N 0 0 539.548 4.990 50 5 KJBARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000103088721 1066516327 /nfs/dbraw/zinc/51/63/27/1066516327.db2.gz LBQVOVDUWGQAOX-JVCXIRSZSA-N 0 0 539.548 4.990 50 5 KJBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cc(C)ccc1C ZINC000103089749 555268680 /nfs/dbraw/zinc/26/86/80/555268680.db2.gz HXSFNANESKVKIB-UHFFFAOYSA-N 0 0 543.646 4.572 50 5 KJBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1cc(C)ccc1C ZINC000103089807 555268958 /nfs/dbraw/zinc/26/89/58/555268958.db2.gz RZGKNBGTVXHWLV-UHFFFAOYSA-N 0 0 578.651 4.511 50 5 KJBARN CCc1nc(C)nc(N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1Cc1ccc(Cl)cc1 ZINC000103090124 555269115 /nfs/dbraw/zinc/26/91/15/555269115.db2.gz AEDDPPIXSQIHAG-UHFFFAOYSA-N 0 0 550.468 4.664 50 5 KJBARN COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2C(=O)N2CCCC2)CC1 ZINC000103090819 555269692 /nfs/dbraw/zinc/26/96/92/555269692.db2.gz CHMUUKPEFCMXME-UHFFFAOYSA-N 0 0 543.624 4.727 50 5 KJBARN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)NCCc1ccc(F)cc1 ZINC000103091125 555269918 /nfs/dbraw/zinc/26/99/18/555269918.db2.gz FXUISPNAHJYTBK-UHFFFAOYSA-N 0 0 526.373 4.595 50 5 KJBARN CCOc1ccc(CCNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OCC ZINC000103091170 555270239 /nfs/dbraw/zinc/27/02/39/555270239.db2.gz MAVVQAZHDDHNHE-UHFFFAOYSA-N 0 0 592.070 4.608 50 5 KJBARN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000103091271 555270223 /nfs/dbraw/zinc/27/02/23/555270223.db2.gz JGVYMHKHWHNANX-OKILXGFUSA-N 0 0 524.452 4.800 50 5 KJBARN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000103091274 555270237 /nfs/dbraw/zinc/27/02/37/555270237.db2.gz JGVYMHKHWHNANX-KBPBESRZSA-N 0 0 524.452 4.800 50 5 KJBARN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000103091279 555270248 /nfs/dbraw/zinc/27/02/48/555270248.db2.gz JGVYMHKHWHNANX-ZIAGYGMSSA-N 0 0 524.452 4.800 50 5 KJBARN Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(I)ccc2O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000103093907 555272739 /nfs/dbraw/zinc/27/27/39/555272739.db2.gz YUUMBQGVURQELK-HXUWFJFHSA-N 0 0 532.290 4.750 50 5 KJBARN Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(I)ccc2O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000103093910 555272758 /nfs/dbraw/zinc/27/27/58/555272758.db2.gz YUUMBQGVURQELK-FQEVSTJZSA-N 0 0 532.290 4.750 50 5 KJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O ZINC000103094917 1066516669 /nfs/dbraw/zinc/51/66/69/1066516669.db2.gz YAADZFCOZWKMSR-KAMYIIQDSA-N 0 0 566.526 4.758 50 5 KJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O ZINC000103094921 555273452 /nfs/dbraw/zinc/27/34/52/555273452.db2.gz YAADZFCOZWKMSR-SDNWHVSQSA-N 0 0 566.526 4.758 50 5 KJBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)c1 ZINC000103096623 555274376 /nfs/dbraw/zinc/27/43/76/555274376.db2.gz VANUTEWTWVHZJF-UHFFFAOYSA-N 0 0 562.000 4.576 50 5 KJBARN Cc1c(C(=O)NCc2cccnc2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000103099570 555277220 /nfs/dbraw/zinc/27/72/20/555277220.db2.gz JJMSNZQNFZVPCZ-UHFFFAOYSA-N 0 0 590.662 4.608 50 5 KJBARN Cc1c(C(=O)N2CCCC2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000103099620 555277249 /nfs/dbraw/zinc/27/72/49/555277249.db2.gz JXIQEMVOIZXSSC-UHFFFAOYSA-N 0 0 553.641 4.519 50 5 KJBARN Cc1c(C(=O)NCC(C)C)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000103099646 555277245 /nfs/dbraw/zinc/27/72/45/555277245.db2.gz HJUIWDDPDKPLMM-UHFFFAOYSA-N 0 0 555.657 4.668 50 5 KJBARN COc1ccc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1[N+](=O)[O-] ZINC000103100809 555278205 /nfs/dbraw/zinc/27/82/05/555278205.db2.gz ZWOPYBFYJDGYEM-FQEVSTJZSA-N 0 0 530.287 4.811 50 5 KJBARN COc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1[N+](=O)[O-] ZINC000103100811 555278487 /nfs/dbraw/zinc/27/84/87/555278487.db2.gz ZWOPYBFYJDGYEM-HXUWFJFHSA-N 0 0 530.287 4.811 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC000103101426 555278891 /nfs/dbraw/zinc/27/88/91/555278891.db2.gz SQTUEPACGBVEFY-QHCPKHFHSA-N 0 0 543.985 4.570 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC000103101428 555278860 /nfs/dbraw/zinc/27/88/60/555278860.db2.gz SQTUEPACGBVEFY-HSZRJFAPSA-N 0 0 543.985 4.570 50 5 KJBARN COc1ccc(NC(=O)COC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000103101744 555279292 /nfs/dbraw/zinc/27/92/92/555279292.db2.gz GNWFDVKIUJJCOE-UHFFFAOYSA-N 0 0 547.520 4.640 50 5 KJBARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000103102464 555279908 /nfs/dbraw/zinc/27/99/08/555279908.db2.gz QNQJTYPTRFPQJP-UHFFFAOYSA-N 0 0 563.510 4.551 50 5 KJBARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)c12 ZINC000103103575 555281057 /nfs/dbraw/zinc/28/10/57/555281057.db2.gz HVHFBVINDHRZAE-UHFFFAOYSA-N 0 0 533.592 4.585 50 5 KJBARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)c12 ZINC000103103609 555281094 /nfs/dbraw/zinc/28/10/94/555281094.db2.gz PWHMMVIUMLYCRC-UHFFFAOYSA-N 0 0 533.592 4.585 50 5 KJBARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2Cc2ccccc2)c1 ZINC000103103984 555281382 /nfs/dbraw/zinc/28/13/82/555281382.db2.gz GYJIREAWCRITQD-UHFFFAOYSA-N 0 0 580.692 4.663 50 5 KJBARN O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000103105205 555282575 /nfs/dbraw/zinc/28/25/75/555282575.db2.gz NZJIIQQDAWUPBJ-UHFFFAOYSA-N 0 0 542.058 4.814 50 5 KJBARN Cc1c(C(=O)NCc2cccnc2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103109798 555284784 /nfs/dbraw/zinc/28/47/84/555284784.db2.gz QTTQRMVMSLMXDW-UHFFFAOYSA-N 0 0 599.069 4.794 50 5 KJBARN O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(I)cc1 ZINC000103111139 555285307 /nfs/dbraw/zinc/28/53/07/555285307.db2.gz YLBFXHJOSJHLMZ-UHFFFAOYSA-N 0 0 564.719 4.879 50 5 KJBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000103113270 555286408 /nfs/dbraw/zinc/28/64/08/555286408.db2.gz VSLLKYATPNASFU-UHFFFAOYSA-N 0 0 556.980 4.652 50 5 KJBARN O=C(OCc1csc(-c2ccccc2)n1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000103113281 555286440 /nfs/dbraw/zinc/28/64/40/555286440.db2.gz REOPCNWVUBYPCO-UHFFFAOYSA-N 0 0 522.004 4.516 50 5 KJBARN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)cc1 ZINC000103113601 555286902 /nfs/dbraw/zinc/28/69/02/555286902.db2.gz HPFMIABGUHWVDB-UHFFFAOYSA-N 0 0 565.435 4.572 50 5 KJBARN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2c(c1)OCCO2 ZINC000103113605 555286846 /nfs/dbraw/zinc/28/68/46/555286846.db2.gz MHRIKBWYFIASEG-UHFFFAOYSA-N 0 0 538.365 4.507 50 5 KJBARN CCN1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(S(=O)(=O)c5ccc(Cl)c([N+](=O)[O-])c5)CC4)c32)C1 ZINC000103114446 555287058 /nfs/dbraw/zinc/28/70/58/555287058.db2.gz ZGAFJVOIZYSQGV-UHFFFAOYSA-N 0 0 613.165 4.733 50 5 KJBARN CCCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000103118541 555289333 /nfs/dbraw/zinc/28/93/33/555289333.db2.gz CIYKQCUUGNFYDA-UHFFFAOYSA-N 0 0 531.592 4.866 50 5 KJBARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)c12 ZINC000103119521 555289509 /nfs/dbraw/zinc/28/95/09/555289509.db2.gz FPMRCCAFRQJDIS-UHFFFAOYSA-N 0 0 547.619 4.975 50 5 KJBARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)c4ccc(C)c([N+](=O)[O-])c4)CC3)c12 ZINC000103119529 555289515 /nfs/dbraw/zinc/28/95/15/555289515.db2.gz XWKIATCZFBRCHQ-UHFFFAOYSA-N 0 0 547.619 4.894 50 5 KJBARN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1)N(Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000103122476 555291111 /nfs/dbraw/zinc/29/11/11/555291111.db2.gz LCJOMHXQRKEHKF-UHFFFAOYSA-N 0 0 527.986 4.872 50 5 KJBARN O=C(COC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000103123239 555291591 /nfs/dbraw/zinc/29/15/91/555291591.db2.gz JQIBATMZRUJCEH-UHFFFAOYSA-N 0 0 523.958 4.770 50 5 KJBARN COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2C(=O)NC[C@@H]2CCCO2)CC1 ZINC000103124722 555292479 /nfs/dbraw/zinc/29/24/79/555292479.db2.gz XXRZTQQLGHVOIH-QFIPXVFZSA-N 0 0 594.068 4.745 50 5 KJBARN COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2C(=O)NC[C@H]2CCCO2)CC1 ZINC000103124726 555292442 /nfs/dbraw/zinc/29/24/42/555292442.db2.gz XXRZTQQLGHVOIH-JOCHJYFZSA-N 0 0 594.068 4.745 50 5 KJBARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000103128457 555296706 /nfs/dbraw/zinc/29/67/06/555296706.db2.gz GRTDPROKMPPNPV-VWLOTQADSA-N 0 0 557.584 4.686 50 5 KJBARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000103128460 555296806 /nfs/dbraw/zinc/29/68/06/555296806.db2.gz GRTDPROKMPPNPV-RUZDIDTESA-N 0 0 557.584 4.686 50 5 KJBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1 ZINC000103129325 555297706 /nfs/dbraw/zinc/29/77/06/555297706.db2.gz MVRMWKFCNJIBBN-UNOMPAQXSA-N 0 0 544.492 4.913 50 5 KJBARN COc1ccc(NC(=O)CSC2=N/C(=C\c3ccco3)C(=O)N2c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000103129333 555297728 /nfs/dbraw/zinc/29/77/28/555297728.db2.gz LQMPFFSTTUYONU-ODLFYWEKSA-N 0 0 544.492 4.913 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1 ZINC000103129338 555297918 /nfs/dbraw/zinc/29/79/18/555297918.db2.gz CLHFYANJBCRKSO-UNOMPAQXSA-N 0 0 544.492 4.913 50 5 KJBARN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000103130429 555299159 /nfs/dbraw/zinc/29/91/59/555299159.db2.gz MDVOQFHTKMOLIY-UHFFFAOYSA-N 0 0 542.566 4.930 50 5 KJBARN CCOC(=O)c1c(NC(=O)COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])sc(C)c1-c1ccc(C)cc1 ZINC000103130452 555299149 /nfs/dbraw/zinc/29/91/49/555299149.db2.gz GHEXRDJVVXJXRN-UHFFFAOYSA-N 0 0 542.566 4.930 50 5 KJBARN C[C@H](OC(=O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000103132655 555302210 /nfs/dbraw/zinc/30/22/10/555302210.db2.gz PKPAQNMTYJUJJC-HNNXBMFYSA-N 0 0 554.471 4.641 50 5 KJBARN C[C@@H](OC(=O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000103132657 555302160 /nfs/dbraw/zinc/30/21/60/555302160.db2.gz PKPAQNMTYJUJJC-OAHLLOKOSA-N 0 0 554.471 4.641 50 5 KJBARN COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC(F)F)cc2)c(C)cc1[N+](=O)[O-] ZINC000103132939 555302689 /nfs/dbraw/zinc/30/26/89/555302689.db2.gz JTNZFUURVXDDPM-UHFFFAOYSA-N 0 0 542.520 4.943 50 5 KJBARN O=C(CSc1ncccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccccc1OC(F)F ZINC000103135304 555304786 /nfs/dbraw/zinc/30/47/86/555304786.db2.gz KSLHKBZYXJIDPV-UHFFFAOYSA-N 0 0 547.492 4.546 50 5 KJBARN O=C(CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000103135845 555305651 /nfs/dbraw/zinc/30/56/51/555305651.db2.gz ZBDYAOULJANPHQ-UHFFFAOYSA-N 0 0 569.492 4.914 50 5 KJBARN O=C(CN(CCN1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(F)cc1 ZINC000103135916 555305642 /nfs/dbraw/zinc/30/56/42/555305642.db2.gz ANRQYMXEVOKAEX-NDEPHWFRSA-N 0 0 627.595 4.905 50 5 KJBARN O=C(CN(CCN1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(F)cc1 ZINC000103135918 555305633 /nfs/dbraw/zinc/30/56/33/555305633.db2.gz ANRQYMXEVOKAEX-MUUNZHRXSA-N 0 0 627.595 4.905 50 5 KJBARN COc1cccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc3cc(-c4ccccc4)nn32)c1 ZINC000103136197 555306292 /nfs/dbraw/zinc/30/62/92/555306292.db2.gz UGDGQISIGFGNGS-UHFFFAOYSA-N 0 0 534.576 4.943 50 5 KJBARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 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CCOC(=O)CCCNC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc([N+](=O)[O-])cc1 ZINC000103139140 555309167 /nfs/dbraw/zinc/30/91/67/555309167.db2.gz VGSJZMMSEKSWDB-JZJYNLBNSA-N 0 0 531.565 4.636 50 5 KJBARN O=C(COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000103139146 555309116 /nfs/dbraw/zinc/30/91/16/555309116.db2.gz YZPSVKDKKUMFPH-DARPEHSRSA-N 0 0 626.691 4.710 50 5 KJBARN O=C(COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000103139148 555309137 /nfs/dbraw/zinc/30/91/37/555309137.db2.gz YZPSVKDKKUMFPH-FLFQWRMESA-N 0 0 626.691 4.710 50 5 KJBARN CCN1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5cccc([N+](=O)[O-])c5)CC4)c32)C1 ZINC000103140453 555310024 /nfs/dbraw/zinc/31/00/24/555310024.db2.gz RHZLMBJVRGAFRB-UHFFFAOYSA-N 0 0 542.665 4.531 50 5 KJBARN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)n2)cc1 ZINC000103145651 555313338 /nfs/dbraw/zinc/31/33/38/555313338.db2.gz CFSAXNFMAGTQGY-UHFFFAOYSA-N 0 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KRCMIMMAHDXTPB-UHFFFAOYSA-N 0 0 564.064 4.855 50 5 KJBARN Cc1c(C(=O)Nc2ccc(F)cc2)nn(C(C)(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000103152034 555317891 /nfs/dbraw/zinc/31/78/91/555317891.db2.gz BNWGGMMLJQPOJN-UHFFFAOYSA-N 0 0 545.593 4.823 50 5 KJBARN CCN(CC)C(=O)c1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1N1CCN(c2ccccc2OC)CC1 ZINC000103152433 555318636 /nfs/dbraw/zinc/31/86/36/555318636.db2.gz FZCTUZNEEUFDEZ-UHFFFAOYSA-N 0 0 545.640 4.973 50 5 KJBARN COCCCN1C(=O)C(Nc2cc(C)ccc2OC)=C(Sc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000103154387 555319277 /nfs/dbraw/zinc/31/92/77/555319277.db2.gz ZWZUAXTWUZERDI-UHFFFAOYSA-N 0 0 576.631 4.985 50 5 KJBARN CCOCCCNC(=O)c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1N1CCN(c2ccccc2OC)CC1 ZINC000103159527 555320353 /nfs/dbraw/zinc/32/03/53/555320353.db2.gz VRNUTEOSQOUEAJ-LFIBNONCSA-N 0 0 587.677 4.738 50 5 KJBARN O=C1N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C(O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000103163151 555321867 /nfs/dbraw/zinc/32/18/67/555321867.db2.gz NFGMXNWXOWBAAO-WAOWUJCRSA-N 0 0 509.824 4.612 50 5 KJBARN COCCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000103163516 555322194 /nfs/dbraw/zinc/32/21/94/555322194.db2.gz NLMAMUNEKXZASP-RVDMUPIBSA-N 0 0 569.614 4.727 50 5 KJBARN COCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000103168183 555324083 /nfs/dbraw/zinc/32/40/83/555324083.db2.gz RZYVFRSJNUREED-GXDHUFHOSA-N 0 0 581.691 4.823 50 5 KJBARN COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000103170820 555324979 /nfs/dbraw/zinc/32/49/79/555324979.db2.gz UAJHWXXZBVZMQT-XYOKQWHBSA-N 0 0 581.691 4.742 50 5 KJBARN C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000103177039 555327872 /nfs/dbraw/zinc/32/78/72/555327872.db2.gz RAMCHKPVBRYGAI-IQGLISFBSA-N 0 0 569.445 4.616 50 5 KJBARN C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000103177041 555327844 /nfs/dbraw/zinc/32/78/44/555327844.db2.gz RAMCHKPVBRYGAI-AVRWGWEMSA-N 0 0 569.445 4.616 50 5 KJBARN C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000103177045 555327876 /nfs/dbraw/zinc/32/78/76/555327876.db2.gz RAMCHKPVBRYGAI-CJAUYULYSA-N 0 0 569.445 4.616 50 5 KJBARN C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000103177049 555327842 /nfs/dbraw/zinc/32/78/42/555327842.db2.gz RAMCHKPVBRYGAI-BVZFJXPGSA-N 0 0 569.445 4.616 50 5 KJBARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1 ZINC000103178391 555328311 /nfs/dbraw/zinc/32/83/11/555328311.db2.gz WBJRLKIWNRJOIT-UHFFFAOYSA-N 0 0 570.075 4.539 50 5 KJBARN COCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000103179633 555328794 /nfs/dbraw/zinc/32/87/94/555328794.db2.gz JMPBFMWXBWLMFG-UHFFFAOYSA-N 0 0 532.572 4.575 50 5 KJBARN CCC1=C(C(=O)OC)[C@H](c2ccc([N+](=O)[O-])cc2)N2C(CC(=O)N(C)Cc3ccccc3)=CSC2=N1 ZINC000103186308 555331474 /nfs/dbraw/zinc/33/14/74/555331474.db2.gz UDGAQQKXVNOJKB-DEOSSOPVSA-N 0 0 506.584 4.782 50 5 KJBARN CCC1=C(C(=O)OC)[C@@H](c2ccc([N+](=O)[O-])cc2)N2C(CC(=O)N(C)Cc3ccccc3)=CSC2=N1 ZINC000103186312 555331457 /nfs/dbraw/zinc/33/14/57/555331457.db2.gz UDGAQQKXVNOJKB-XMMPIXPASA-N 0 0 506.584 4.782 50 5 KJBARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N(C)CC)N2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000103189586 555332903 /nfs/dbraw/zinc/33/29/03/555332903.db2.gz ZSIVKYADKZWNTP-DEOSSOPVSA-N 0 0 506.584 4.739 50 5 KJBARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N(C)CC)N2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000103189590 555332919 /nfs/dbraw/zinc/33/29/19/555332919.db2.gz ZSIVKYADKZWNTP-XMMPIXPASA-N 0 0 506.584 4.739 50 5 KJBARN O=C(NCc1ccccc1)N1CCCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccccc4[N+](=O)[O-])n32)CC1 ZINC000103190287 555333225 /nfs/dbraw/zinc/33/32/25/555333225.db2.gz WGWYRYHIMBCQDX-UHFFFAOYSA-N 0 0 557.014 4.928 50 5 KJBARN Cc1ccc(-n2nc(-c3ccc([N+](=O)[O-])cc3)cc2C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000103191040 555333415 /nfs/dbraw/zinc/33/34/15/555333415.db2.gz WOCQBTHJIWGVKZ-UHFFFAOYSA-N 0 0 526.553 4.935 50 5 KJBARN Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000103192798 555334025 /nfs/dbraw/zinc/33/40/25/555334025.db2.gz RHILXYRQWSWBEA-UHFFFAOYSA-N 0 0 541.939 4.543 50 5 KJBARN CCCNC(=O)c1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1N1CCN(c2ccccc2OC)CC1 ZINC000103194138 555334241 /nfs/dbraw/zinc/33/42/41/555334241.db2.gz ZBJINBXNYHMSDV-UHFFFAOYSA-N 0 0 532.601 4.714 50 5 KJBARN O=C(NCc1nnc(SCc2ccccc2)n1-c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000103197653 555335723 /nfs/dbraw/zinc/33/57/23/555335723.db2.gz WVRDRJXQWBVRDY-UHFFFAOYSA-N 0 0 524.946 4.959 50 5 KJBARN CCCN(C)C(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)C)c1C ZINC000103199678 555336334 /nfs/dbraw/zinc/33/63/34/555336334.db2.gz AWNRKBCDBZANNK-UHFFFAOYSA-N 0 0 543.646 4.667 50 5 KJBARN CCOCCOc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)n1 ZINC000103201752 555337508 /nfs/dbraw/zinc/33/75/08/555337508.db2.gz XNFKLOZGHBTLPH-UHFFFAOYSA-N 0 0 536.476 4.557 50 5 KJBARN O=C(c1cc(-c2ccc(F)cc2)nn1-c1ccc([N+](=O)[O-])cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000103210621 555339985 /nfs/dbraw/zinc/33/99/85/555339985.db2.gz DOOGORIWYINPMM-UHFFFAOYSA-N 0 0 526.528 4.707 50 5 KJBARN O=C(NC1CCN(c2ccccc2C(=O)NCc2cccc(C(F)(F)F)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000103235099 555342351 /nfs/dbraw/zinc/34/23/51/555342351.db2.gz GSQIVICJIMHKIP-UHFFFAOYSA-N 0 0 526.515 4.942 50 5 KJBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1cccc(Cl)c1 ZINC000103246428 555343565 /nfs/dbraw/zinc/34/35/65/555343565.db2.gz LKHJLIDLEXHGJW-QGZVFWFLSA-N 0 0 599.069 4.936 50 5 KJBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1cccc(Cl)c1 ZINC000103246431 555343546 /nfs/dbraw/zinc/34/35/46/555343546.db2.gz LKHJLIDLEXHGJW-KRWDZBQOSA-N 0 0 599.069 4.936 50 5 KJBARN CCCNC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)c1C ZINC000103260528 555346673 /nfs/dbraw/zinc/34/66/73/555346673.db2.gz ADPNWWBIVSMIBQ-UHFFFAOYSA-N 0 0 543.646 4.715 50 5 KJBARN CCCNC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)c1C ZINC000103260534 555346732 /nfs/dbraw/zinc/34/67/32/555346732.db2.gz HTCWMUPJBCLIJS-UHFFFAOYSA-N 0 0 543.646 4.715 50 5 KJBARN CCCNC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)c1C ZINC000103260541 555346722 /nfs/dbraw/zinc/34/67/22/555346722.db2.gz NOWAPRMVWOILJV-UHFFFAOYSA-N 0 0 543.646 4.572 50 5 KJBARN CCCNC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)c1C ZINC000103260545 555346696 /nfs/dbraw/zinc/34/66/96/555346696.db2.gz UYLKAQASXSIMQS-UHFFFAOYSA-N 0 0 543.646 4.572 50 5 KJBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1cc(C)ccc1C ZINC000103265528 555346973 /nfs/dbraw/zinc/34/69/73/555346973.db2.gz WHJVWYKDMMWSFN-UHFFFAOYSA-N 0 0 567.624 4.709 50 5 KJBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cccc(C)c1C ZINC000103265565 555347375 /nfs/dbraw/zinc/34/73/75/555347375.db2.gz UJSSGNBDCBTSHI-UHFFFAOYSA-N 0 0 543.646 4.572 50 5 KJBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1cccc(C)c1C ZINC000103265576 555347432 /nfs/dbraw/zinc/34/74/32/555347432.db2.gz LLFGEFGVSAWVOK-UHFFFAOYSA-N 0 0 578.651 4.511 50 5 KJBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1cccc(C)c1C ZINC000103265579 555347416 /nfs/dbraw/zinc/34/74/16/555347416.db2.gz GVJVKYJFYVTNGF-UHFFFAOYSA-N 0 0 567.624 4.709 50 5 KJBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3c(-c4cccc([N+](=O)[O-])c4)nc4ccc(-c5ccccc5)cn43)CC2)cc1 ZINC000103275404 555349415 /nfs/dbraw/zinc/34/94/15/555349415.db2.gz 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CC[C@H](C)NC(=O)c1nn(-c2cccc(F)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)c1C ZINC000103396076 555381360 /nfs/dbraw/zinc/38/13/60/555381360.db2.gz BMOBZSBXNNBWSU-HNNXBMFYSA-N 0 0 547.609 4.625 50 5 KJBARN CCCN(C)C(=O)c1nn(-c2cccc(F)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)c1C ZINC000103396080 555381342 /nfs/dbraw/zinc/38/13/42/555381342.db2.gz OGBAYGDULDXBQF-UHFFFAOYSA-N 0 0 547.609 4.579 50 5 KJBARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)c1C ZINC000103396108 555381540 /nfs/dbraw/zinc/38/15/40/555381540.db2.gz DNYXFLOMMTXMTQ-CQSZACIVSA-N 0 0 548.021 4.504 50 5 KJBARN CC[C@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)c1C ZINC000103396111 555381411 /nfs/dbraw/zinc/38/14/11/555381411.db2.gz DNYXFLOMMTXMTQ-AWEZNQCLSA-N 0 0 548.021 4.504 50 5 KJBARN CCCN(C)C(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000103396174 555381794 /nfs/dbraw/zinc/38/17/94/555381794.db2.gz 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O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@H]12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000103399931 555386116 /nfs/dbraw/zinc/38/61/16/555386116.db2.gz IUZYBECGHAFTFX-XTEPFMGCSA-N 0 0 583.586 4.969 50 5 KJBARN CCS(=O)(=O)c1ccc2oc(-c3cc([N+](=O)[O-])ccc3OS(=O)(=O)c3cccc(C(F)(F)F)c3)nc2c1 ZINC000103400660 555386991 /nfs/dbraw/zinc/38/69/91/555386991.db2.gz QDLOQPBYTPRNEC-UHFFFAOYSA-N 0 0 556.496 4.983 50 5 KJBARN Cc1c(C(=O)NC2CC2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103401767 555387222 /nfs/dbraw/zinc/38/72/22/555387222.db2.gz CJANTGTWVUTUTO-UHFFFAOYSA-N 0 0 548.021 4.504 50 5 KJBARN Cc1c(C(=O)NCc2cccnc2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103401793 555387545 /nfs/dbraw/zinc/38/75/45/555387545.db2.gz PMDQLBWHWHHOKH-UHFFFAOYSA-N 0 0 599.069 4.936 50 5 KJBARN Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103401823 555387509 /nfs/dbraw/zinc/38/75/09/555387509.db2.gz LZPIOGMZZPOWGA-FQEVSTJZSA-N 0 0 592.074 4.520 50 5 KJBARN Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103401827 555387550 /nfs/dbraw/zinc/38/75/50/555387550.db2.gz LZPIOGMZZPOWGA-HXUWFJFHSA-N 0 0 592.074 4.520 50 5 KJBARN COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)cc1 ZINC000103402541 555388429 /nfs/dbraw/zinc/38/84/29/555388429.db2.gz JKOSSCWESVQBDD-UHFFFAOYSA-N 0 0 577.619 4.891 50 5 KJBARN Cc1c(C(=O)NCc2ccco2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000103402579 555388481 /nfs/dbraw/zinc/38/84/81/555388481.db2.gz SJFLVWPUSXTFRX-UHFFFAOYSA-N 0 0 579.635 4.806 50 5 KJBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1ccc(F)cc1 ZINC000103402624 555388617 /nfs/dbraw/zinc/38/86/17/555388617.db2.gz LVKVLVCNPZIRQB-MRXNPFEDSA-N 0 0 571.587 4.620 50 5 KJBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1ccc(F)cc1 ZINC000103402628 555388676 /nfs/dbraw/zinc/38/86/76/555388676.db2.gz LVKVLVCNPZIRQB-INIZCTEOSA-N 0 0 571.587 4.620 50 5 KJBARN COc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)cc1 ZINC000103402699 555388626 /nfs/dbraw/zinc/38/86/26/555388626.db2.gz WHPXXDIPROWELB-UHFFFAOYSA-N 0 0 581.582 4.722 50 5 KJBARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000103402713 555389117 /nfs/dbraw/zinc/38/91/17/555389117.db2.gz IOQIMDJYODEIIV-CVEARBPZSA-N 0 0 547.609 4.625 50 5 KJBARN CC[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000103402715 555389113 /nfs/dbraw/zinc/38/91/13/555389113.db2.gz IOQIMDJYODEIIV-HOTGVXAUSA-N 0 0 547.609 4.625 50 5 KJBARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@H](C)CC)c1C ZINC000103402718 555389071 /nfs/dbraw/zinc/38/90/71/555389071.db2.gz IOQIMDJYODEIIV-HZPDHXFCSA-N 0 0 547.609 4.625 50 5 KJBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1-c1ccc(F)cc1 ZINC000103402720 555389083 /nfs/dbraw/zinc/38/90/83/555389083.db2.gz IOQIMDJYODEIIV-JKSUJKDBSA-N 0 0 547.609 4.625 50 5 KJBARN Cc1c(C(=O)NCc2ccco2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103403798 555389924 /nfs/dbraw/zinc/38/99/24/555389924.db2.gz FIKYTLZZQYANGW-UHFFFAOYSA-N 0 0 588.042 4.992 50 5 KJBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1cccc(F)c1 ZINC000103403811 555389958 /nfs/dbraw/zinc/38/99/58/555389958.db2.gz VQELVZZAYSLGDQ-MRXNPFEDSA-N 0 0 571.587 4.620 50 5 KJBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1cccc(F)c1 ZINC000103403812 555389998 /nfs/dbraw/zinc/38/99/98/555389998.db2.gz VQELVZZAYSLGDQ-INIZCTEOSA-N 0 0 571.587 4.620 50 5 KJBARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(F)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000103403826 555390027 /nfs/dbraw/zinc/39/00/27/555390027.db2.gz 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ZINC000103403838 555389898 /nfs/dbraw/zinc/38/98/98/555389898.db2.gz AOWRZQQXQSTUSU-INIZCTEOSA-N 0 0 564.064 4.997 50 5 KJBARN Cc1c(C(=O)NC(C)C)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103403936 555390015 /nfs/dbraw/zinc/39/00/15/555390015.db2.gz NTGUWDDJLIWNAJ-UHFFFAOYSA-N 0 0 543.646 4.571 50 5 KJBARN CCCNC(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@@H](C)CC)c1C ZINC000103404064 555390327 /nfs/dbraw/zinc/39/03/27/555390327.db2.gz HOEFNJBOZRBTIK-HNNXBMFYSA-N 0 0 550.037 4.751 50 5 KJBARN CCCNC(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N[C@H](C)CC)c1C ZINC000103404066 555390330 /nfs/dbraw/zinc/39/03/30/555390330.db2.gz HOEFNJBOZRBTIK-OAHLLOKOSA-N 0 0 550.037 4.751 50 5 KJBARN Cc1c(C(=O)NCC(C)C)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000103404081 555390584 /nfs/dbraw/zinc/39/05/84/555390584.db2.gz RTJDIYBXJJQOPT-UHFFFAOYSA-N 0 0 562.048 4.705 50 5 KJBARN Cc1c(C(=O)NCc2ccco2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103404086 555390575 /nfs/dbraw/zinc/39/05/75/555390575.db2.gz RSFGEQCWKNSROS-UHFFFAOYSA-N 0 0 581.651 4.955 50 5 KJBARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC3)cc1 ZINC000103406325 555392714 /nfs/dbraw/zinc/39/27/14/555392714.db2.gz UQGKGQLOBVDWKW-SANMLTNESA-N 0 0 610.589 4.712 50 5 KJBARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC3)cc1 ZINC000103406329 555392532 /nfs/dbraw/zinc/39/25/32/555392532.db2.gz UQGKGQLOBVDWKW-AREMUKBSSA-N 0 0 610.589 4.712 50 5 KJBARN COCCn1c(SCc2ccccc2C(=O)N2CCN(c3ccccc3F)CC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000103407935 555393567 /nfs/dbraw/zinc/39/35/67/555393567.db2.gz SYUDBBBYCGSNFP-UHFFFAOYSA-N 0 0 576.654 4.894 50 5 KJBARN COCCCN1C(=O)C(Nc2ccc(F)cc2)=C(Sc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000103408758 555394753 /nfs/dbraw/zinc/39/47/53/555394753.db2.gz 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/nfs/dbraw/zinc/40/13/78/555401378.db2.gz FIJYBDZRJLUOIX-NDEPHWFRSA-N 0 0 542.636 4.577 50 5 KJBARN COc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCOCC3)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 ZINC000103420809 555401393 /nfs/dbraw/zinc/40/13/93/555401393.db2.gz FIJYBDZRJLUOIX-MUUNZHRXSA-N 0 0 542.636 4.577 50 5 KJBARN COc1cc([C@@H](CC(=O)NCCN2CCOCC2)c2c[nH]c3ccc([N+](=O)[O-])cc32)ccc1OCc1ccccc1 ZINC000103421762 555402895 /nfs/dbraw/zinc/40/28/95/555402895.db2.gz OBNJERZNQFHXIL-RUZDIDTESA-N 0 0 558.635 4.634 50 5 KJBARN COc1cc([C@H](CC(=O)NCCN2CCOCC2)c2c[nH]c3ccc([N+](=O)[O-])cc32)ccc1OCc1ccccc1 ZINC000103421764 555402907 /nfs/dbraw/zinc/40/29/07/555402907.db2.gz OBNJERZNQFHXIL-VWLOTQADSA-N 0 0 558.635 4.634 50 5 KJBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3c(-c4ccccc4)nc4ccc(-c5cccc([N+](=O)[O-])c5)cn43)CC2)cc1 ZINC000103424802 555405210 /nfs/dbraw/zinc/40/52/10/555405210.db2.gz NPSPTFGHCHROMD-UHFFFAOYSA-N 0 0 598.641 4.991 50 5 KJBARN Cc1c(C(=O)Nc2ccc(F)cc2)nn(C(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000103425552 555406197 /nfs/dbraw/zinc/40/61/97/555406197.db2.gz HPVVTUNSZSNACV-UHFFFAOYSA-N 0 0 531.566 4.649 50 5 KJBARN Cc1c(C(=O)NCC(C)C)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103425954 555406999 /nfs/dbraw/zinc/40/69/99/555406999.db2.gz YFDCGUBTQYVRNH-UHFFFAOYSA-N 0 0 564.064 4.997 50 5 KJBARN Cc1c(C(=O)Nc2ccc(F)cc2)nn(C(C)(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103426056 555407015 /nfs/dbraw/zinc/40/70/15/555407015.db2.gz WQFOJOJZRUEHPZ-UHFFFAOYSA-N 0 0 547.609 4.973 50 5 KJBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cccc(Cl)c1 ZINC000103426063 555406989 /nfs/dbraw/zinc/40/69/89/555406989.db2.gz HXCRISVSSLEOHD-UHFFFAOYSA-N 0 0 550.037 4.609 50 5 KJBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1cccc(Cl)c1 ZINC000103426081 555407012 /nfs/dbraw/zinc/40/70/12/555407012.db2.gz GHTBRHIXTVJHCG-UHFFFAOYSA-N 0 0 574.015 4.746 50 5 KJBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1C(C)(C)C ZINC000103426150 555407379 /nfs/dbraw/zinc/40/73/79/555407379.db2.gz LVPAWPAJUXDURO-UHFFFAOYSA-N 0 0 533.582 4.727 50 5 KJBARN Cc1c(C(=O)NCc2ccco2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103426195 555407655 /nfs/dbraw/zinc/40/76/55/555407655.db2.gz TXUUDLGWMILRRS-UHFFFAOYSA-N 0 0 588.042 4.992 50 5 KJBARN CS(=O)(=O)N1CCN(Cc2c(-c3cccc([N+](=O)[O-])c3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn32)CC1 ZINC000103427992 555409874 /nfs/dbraw/zinc/40/98/74/555409874.db2.gz ZSZKFZXWTJYRIO-UHFFFAOYSA-N 0 0 559.570 4.673 50 5 KJBARN Cc1c(C(=O)N2CCCC2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103428846 555411702 /nfs/dbraw/zinc/41/17/02/555411702.db2.gz CQPFWCPBBGKIRV-UHFFFAOYSA-N 0 0 562.048 4.705 50 5 KJBARN CCS(=O)(=O)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(-c4cc(C)ccc4C)cn32)CC1 ZINC000103432237 555413817 /nfs/dbraw/zinc/41/38/17/555413817.db2.gz JFRYCUOYMGDCSM-UHFFFAOYSA-N 0 0 533.654 4.661 50 5 KJBARN Cc1c(C(=O)NCc2ccco2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103432296 555413796 /nfs/dbraw/zinc/41/37/96/555413796.db2.gz BUQAAFYCFMYTGL-UHFFFAOYSA-N 0 0 571.587 4.620 50 5 KJBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1-c1cccc(Cl)c1 ZINC000103432324 555414167 /nfs/dbraw/zinc/41/41/67/555414167.db2.gz VIXZSSHOLYTCJH-CQSZACIVSA-N 0 0 548.021 4.504 50 5 KJBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1-c1cccc(Cl)c1 ZINC000103432326 555414151 /nfs/dbraw/zinc/41/41/51/555414151.db2.gz VIXZSSHOLYTCJH-AWEZNQCLSA-N 0 0 548.021 4.504 50 5 KJBARN Cc1c(C(=O)NC2CC2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103432360 555414172 /nfs/dbraw/zinc/41/41/72/555414172.db2.gz BRETZBZQIFEEBI-UHFFFAOYSA-N 0 0 548.021 4.504 50 5 KJBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1cccc(Cl)c1 ZINC000103432398 555414469 /nfs/dbraw/zinc/41/44/69/555414469.db2.gz LGDUXPVTMIVNLT-IERDGZPVSA-N 0 0 592.074 4.520 50 5 KJBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1cccc(Cl)c1 ZINC000103432401 555414580 /nfs/dbraw/zinc/41/45/80/555414580.db2.gz LGDUXPVTMIVNLT-KKSFZXQISA-N 0 0 592.074 4.520 50 5 KJBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1cccc(Cl)c1 ZINC000103432403 555414510 /nfs/dbraw/zinc/41/45/10/555414510.db2.gz LGDUXPVTMIVNLT-IIBYNOLFSA-N 0 0 592.074 4.520 50 5 KJBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1cccc(Cl)c1 ZINC000103432406 555414518 /nfs/dbraw/zinc/41/45/18/555414518.db2.gz LGDUXPVTMIVNLT-HRAATJIYSA-N 0 0 592.074 4.520 50 5 KJBARN CCCNC(=O)c1nn(-c2ccc(Cl)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)c1C ZINC000103432410 555414550 /nfs/dbraw/zinc/41/45/50/555414550.db2.gz KAJLIVBTUALBJL-UHFFFAOYSA-N 0 0 550.037 4.751 50 5 KJBARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)c1C ZINC000103432414 555414505 /nfs/dbraw/zinc/41/45/05/555414505.db2.gz IUIGHVSILNBDTM-OAHLLOKOSA-N 0 0 547.609 4.625 50 5 KJBARN CC[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)c1C ZINC000103432416 555414544 /nfs/dbraw/zinc/41/45/44/555414544.db2.gz IUIGHVSILNBDTM-HNNXBMFYSA-N 0 0 547.609 4.625 50 5 KJBARN CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cccc(Cl)c1 ZINC000103432440 555414483 /nfs/dbraw/zinc/41/44/83/555414483.db2.gz RKSPQZFTMGHQCN-MRXNPFEDSA-N 0 0 562.048 4.847 50 5 KJBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cccc(Cl)c1 ZINC000103432442 555414588 /nfs/dbraw/zinc/41/45/88/555414588.db2.gz RKSPQZFTMGHQCN-INIZCTEOSA-N 0 0 562.048 4.847 50 5 KJBARN Cc1c(C(=O)NCc2cccnc2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103432443 555414605 /nfs/dbraw/zinc/41/46/05/555414605.db2.gz 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CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1cccc(Cl)c1 ZINC000103434161 555416789 /nfs/dbraw/zinc/41/67/89/555416789.db2.gz CEEZGFLSNGOUSV-OAHLLOKOSA-N 0 0 550.037 4.750 50 5 KJBARN CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1cccc(Cl)c1 ZINC000103434163 555416620 /nfs/dbraw/zinc/41/66/20/555416620.db2.gz CEEZGFLSNGOUSV-HNNXBMFYSA-N 0 0 550.037 4.750 50 5 KJBARN CCCN(C)C(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)C)c1C ZINC000103435078 555417363 /nfs/dbraw/zinc/41/73/63/555417363.db2.gz PGGHTHNOHWSQIL-UHFFFAOYSA-N 0 0 550.037 4.703 50 5 KJBARN Cc1c(C(=O)NCC(C)C)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000103435085 555417403 /nfs/dbraw/zinc/41/74/03/555417403.db2.gz ROUMQVXMQFQHQC-UHFFFAOYSA-N 0 0 564.064 4.855 50 5 KJBARN CCCN(C)C(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)C)c1C ZINC000103435112 555417715 /nfs/dbraw/zinc/41/77/15/555417715.db2.gz TVHVNYJKBIREPU-UHFFFAOYSA-N 0 0 543.646 4.667 50 5 KJBARN Cc1c(C(=O)NC(C)C)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000103435143 555417695 /nfs/dbraw/zinc/41/76/95/555417695.db2.gz REKSJUGMICAQHY-UHFFFAOYSA-N 0 0 550.037 4.750 50 5 KJBARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2cccc(Br)c2)s1)c1cccc([N+](=O)[O-])c1 ZINC000103436353 555418238 /nfs/dbraw/zinc/41/82/38/555418238.db2.gz FTRYPLTWRPOLHQ-FQEVSTJZSA-N 0 0 552.410 4.856 50 5 KJBARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2cccc(Br)c2)s1)c1cccc([N+](=O)[O-])c1 ZINC000103436356 555418259 /nfs/dbraw/zinc/41/82/59/555418259.db2.gz FTRYPLTWRPOLHQ-HXUWFJFHSA-N 0 0 552.410 4.856 50 5 KJBARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21 ZINC000103518760 555424253 /nfs/dbraw/zinc/42/42/53/555424253.db2.gz HDQFFEWVVXIMCS-PJKQZJAASA-N 0 0 542.979 4.571 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000103520817 555426204 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O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000103532018 555432280 /nfs/dbraw/zinc/43/22/80/555432280.db2.gz WOKZCSUWNAFMOO-HPQIJTKRSA-N 0 0 530.540 4.777 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N21 ZINC000103532023 555432291 /nfs/dbraw/zinc/43/22/91/555432291.db2.gz WOKZCSUWNAFMOO-GCFVYEKYSA-N 0 0 530.540 4.777 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1Br ZINC000103539641 555437693 /nfs/dbraw/zinc/43/76/93/555437693.db2.gz LLNFKGPUGXKGRC-LIONHTAISA-N 0 0 574.387 4.764 50 5 KJBARN O=C(c1ccccn1)[C@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103541484 555438649 /nfs/dbraw/zinc/43/86/49/555438649.db2.gz QFQNFSBUMVTLLS-CKXMCULTSA-N 0 0 542.551 4.846 50 5 KJBARN O=C(c1ccccn1)[C@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103541489 555438701 /nfs/dbraw/zinc/43/87/01/555438701.db2.gz QFQNFSBUMVTLLS-YSGXDJDMSA-N 0 0 542.551 4.846 50 5 KJBARN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@H]2c3ccccc3C=NN21 ZINC000103542323 555439133 /nfs/dbraw/zinc/43/91/33/555439133.db2.gz IHDWWOZGCSNCIG-KMDXXIMOSA-N 0 0 561.591 4.540 50 5 KJBARN CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@H]2c3ccccc3C=NN21 ZINC000103542326 555439067 /nfs/dbraw/zinc/43/90/67/555439067.db2.gz IHDWWOZGCSNCIG-TZRRMPRUSA-N 0 0 561.591 4.540 50 5 KJBARN O=C(c1ccncc1)[C@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103545022 555440046 /nfs/dbraw/zinc/44/00/46/555440046.db2.gz GAPOEWQYCCWKTE-CKXMCULTSA-N 0 0 542.551 4.846 50 5 KJBARN O=C(c1ccncc1)[C@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103545031 555439984 /nfs/dbraw/zinc/43/99/84/555439984.db2.gz GAPOEWQYCCWKTE-YSGXDJDMSA-N 0 0 542.551 4.846 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1Br ZINC000103546368 555440716 /nfs/dbraw/zinc/44/07/16/555440716.db2.gz MAIXRGDQKGBNEC-DFXJHMEVSA-N 0 0 574.387 4.639 50 5 KJBARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000103550237 555443424 /nfs/dbraw/zinc/44/34/24/555443424.db2.gz PDTKWHWUXPKTSO-CSBHBGLHSA-N 0 0 585.572 4.821 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1Br ZINC000103551652 555444094 /nfs/dbraw/zinc/44/40/94/555444094.db2.gz ZOPSTIZTHKWYBF-LIONHTAISA-N 0 0 574.387 4.764 50 5 KJBARN O=C(c1cccnc1)[C@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103551733 555444114 /nfs/dbraw/zinc/44/41/14/555444114.db2.gz RKQXMMYDYMWKCF-CKXMCULTSA-N 0 0 542.551 4.846 50 5 KJBARN O=C(c1cccnc1)[C@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103551736 555444101 /nfs/dbraw/zinc/44/41/01/555444101.db2.gz RKQXMMYDYMWKCF-YSGXDJDMSA-N 0 0 542.551 4.846 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N23)cc1Br ZINC000103552949 555444733 /nfs/dbraw/zinc/44/47/33/555444733.db2.gz OVECCIZGBGVJJX-CDCCBSOTSA-N 0 0 588.414 4.947 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1Br ZINC000103552953 555444799 /nfs/dbraw/zinc/44/47/99/555444799.db2.gz OVECCIZGBGVJJX-MNPUUQGPSA-N 0 0 588.414 4.947 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1Br ZINC000103552960 555444778 /nfs/dbraw/zinc/44/47/78/555444778.db2.gz OVECCIZGBGVJJX-RCOXAODPSA-N 0 0 588.414 4.947 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N23)cc1Br ZINC000103552965 555444756 /nfs/dbraw/zinc/44/47/56/555444756.db2.gz OVECCIZGBGVJJX-DSYNPFFXSA-N 0 0 588.414 4.947 50 5 KJBARN O=C(Nc1ccncc1)N[C@H](COC(=O)Nc1ccncc1)[C@@H](OC(=O)Nc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000103554529 555445511 /nfs/dbraw/zinc/44/55/11/555445511.db2.gz GHXMQBQUFGZDTA-RPWUZVMVSA-N 0 0 572.538 4.509 50 5 KJBARN O=C(Nc1ccncc1)N[C@H](COC(=O)Nc1ccncc1)[C@H](OC(=O)Nc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000103554536 555445462 /nfs/dbraw/zinc/44/54/62/555445462.db2.gz GHXMQBQUFGZDTA-DNQXCXABSA-N 0 0 572.538 4.509 50 5 KJBARN O=C(Nc1ccncc1)N[C@@H](COC(=O)Nc1ccncc1)[C@@H](OC(=O)Nc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000103554545 555445579 /nfs/dbraw/zinc/44/55/79/555445579.db2.gz GHXMQBQUFGZDTA-ZEQRLZLVSA-N 0 0 572.538 4.509 50 5 KJBARN O=C(Nc1ccncc1)N[C@@H](COC(=O)Nc1ccncc1)[C@H](OC(=O)Nc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000103554552 555445565 /nfs/dbraw/zinc/44/55/65/555445565.db2.gz GHXMQBQUFGZDTA-BJKOFHAPSA-N 0 0 572.538 4.509 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N23)cc1Br ZINC000103561702 555449124 /nfs/dbraw/zinc/44/91/24/555449124.db2.gz CWHOHUMLWKNPKK-CCOBIDFTSA-N 0 0 604.413 4.647 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1Br ZINC000103561711 555449129 /nfs/dbraw/zinc/44/91/29/555449129.db2.gz CWHOHUMLWKNPKK-JTMVAAEOSA-N 0 0 604.413 4.647 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1Br ZINC000103561717 555449191 /nfs/dbraw/zinc/44/91/91/555449191.db2.gz CWHOHUMLWKNPKK-FSAHKVHBSA-N 0 0 604.413 4.647 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N23)cc1Br ZINC000103561723 555449147 /nfs/dbraw/zinc/44/91/47/555449147.db2.gz CWHOHUMLWKNPKK-ZFILCQGISA-N 0 0 604.413 4.647 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1Br ZINC000103562962 555449753 /nfs/dbraw/zinc/44/97/53/555449753.db2.gz WNPKSOSPCDSTCH-QYOOZWMWSA-N 0 0 604.413 4.773 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1Br ZINC000103562967 555449728 /nfs/dbraw/zinc/44/97/28/555449728.db2.gz WNPKSOSPCDSTCH-XPGKHFPBSA-N 0 0 604.413 4.773 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1Br ZINC000103562974 555449738 /nfs/dbraw/zinc/44/97/38/555449738.db2.gz WNPKSOSPCDSTCH-QUMGSSFMSA-N 0 0 604.413 4.773 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1Br ZINC000103562978 555449730 /nfs/dbraw/zinc/44/97/30/555449730.db2.gz WNPKSOSPCDSTCH-POTDNYQPSA-N 0 0 604.413 4.773 50 5 KJBARN COc1cc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000103589083 555452462 /nfs/dbraw/zinc/45/24/62/555452462.db2.gz KSSBAIOWFFEAQH-VXLYETTFSA-N 0 0 523.295 4.930 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000103593824 555452942 /nfs/dbraw/zinc/45/29/42/555452942.db2.gz NWFMFTKRZNQZNY-UPWSPCOFSA-N 0 0 603.653 4.601 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000103593828 555452933 /nfs/dbraw/zinc/45/29/33/555452933.db2.gz NWFMFTKRZNQZNY-ZJTZAHLKSA-N 0 0 603.653 4.601 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000103595567 555453220 /nfs/dbraw/zinc/45/32/20/555453220.db2.gz VBIORWILHCIVFE-ASZNLBCTSA-N 0 0 569.639 4.594 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000103595754 555453208 /nfs/dbraw/zinc/45/32/08/555453208.db2.gz JKXJXPQKDOSWTN-PRLWALMFSA-N 0 0 620.083 4.948 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000103595757 555453234 /nfs/dbraw/zinc/45/32/34/555453234.db2.gz JKXJXPQKDOSWTN-FUFNRSNVSA-N 0 0 620.083 4.948 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000103597459 555453642 /nfs/dbraw/zinc/45/36/42/555453642.db2.gz JXRCXEOLUBSJHI-SUAMDDGLSA-N 0 0 573.627 4.592 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000103597463 555453674 /nfs/dbraw/zinc/45/36/74/555453674.db2.gz JXRCXEOLUBSJHI-MFCBUNOESA-N 0 0 573.627 4.592 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000103598419 555453839 /nfs/dbraw/zinc/45/38/39/555453839.db2.gz XBKWQDHNFVOXBC-LMSRTUJASA-N 0 0 591.667 4.697 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000103601611 555454325 /nfs/dbraw/zinc/45/43/25/555454325.db2.gz GQGHIBYTBXFDRY-ZDGAQAAHSA-N 0 0 580.018 4.629 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000103602718 555454423 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555459536 /nfs/dbraw/zinc/45/95/36/555459536.db2.gz PYJBTVYYLNFKEA-XPXRSFDGSA-N 0 0 520.589 4.744 50 5 KJBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000103629923 555459522 /nfs/dbraw/zinc/45/95/22/555459522.db2.gz UIFMOOFIZSARDQ-JSLDZMDGSA-N 0 0 558.594 4.804 50 5 KJBARN CC1=C(C(=O)OC/C=C\c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCNC(=O)c2ccccc2O)=C(C)N1 ZINC000103640320 555460042 /nfs/dbraw/zinc/46/00/42/555460042.db2.gz OTVRBVIQRQRHQE-UBQLLILKSA-N 0 0 597.624 4.765 50 5 KJBARN CC1=C(C(=O)OC/C=C/c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCNC(=O)c2ccccc2O)=C(C)N1 ZINC000103640324 555460022 /nfs/dbraw/zinc/46/00/22/555460022.db2.gz OTVRBVIQRQRHQE-LFNCSFBISA-N 0 0 597.624 4.765 50 5 KJBARN CC1=C(C(=O)OC/C=C\c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCNC(=O)c2ccccc2O)=C(C)N1 ZINC000103640326 555460116 /nfs/dbraw/zinc/46/01/16/555460116.db2.gz OTVRBVIQRQRHQE-VKFCVCSXSA-N 0 0 597.624 4.765 50 5 KJBARN CC1=C(C(=O)OC/C=C/c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCNC(=O)c2ccccc2O)=C(C)N1 ZINC000103640328 555460179 /nfs/dbraw/zinc/46/01/79/555460179.db2.gz OTVRBVIQRQRHQE-MIANJLSGSA-N 0 0 597.624 4.765 50 5 KJBARN CCOc1c(I)cc(I)cc1/C=C\c1onc(C)c1[N+](=O)[O-] ZINC000103729700 555465436 /nfs/dbraw/zinc/46/54/36/555465436.db2.gz ZCPQILVVEACQIZ-PLNGDYQASA-N 0 0 526.068 4.670 50 5 KJBARN CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccc(Br)cc2)cc1 ZINC000103859639 1066375872 /nfs/dbraw/zinc/37/58/72/1066375872.db2.gz QIXBOOUCRUEMRQ-PXLXIMEGSA-N 0 0 538.354 4.944 50 5 KJBARN CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2Br)cc1 ZINC000103859643 1066375992 /nfs/dbraw/zinc/37/59/92/1066375992.db2.gz BKVUIOHGSMDURJ-PXLXIMEGSA-N 0 0 538.354 4.944 50 5 KJBARN O=C1NC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)NC2=O)cc1 ZINC000103868577 571368141 /nfs/dbraw/zinc/36/81/41/571368141.db2.gz KDMQATLBYUAION-KFSYKRRRSA-N 0 0 577.340 4.645 50 5 KJBARN COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC ZINC000103932435 571370063 /nfs/dbraw/zinc/37/00/63/571370063.db2.gz GWWUCXIVFDWBDF-XDHOZWIPSA-N 0 0 526.343 4.784 50 5 KJBARN C[C@@H]1N(C)c2cc(NC(=O)c3ccco3)c([P@](=O)(Nc3ccc([N+](=O)[O-])cc3)N3CCOCC3)cc2C1(C)C ZINC000103957210 562825064 /nfs/dbraw/zinc/82/50/64/562825064.db2.gz ILYOTFFSLIOBCU-HFOAXFSUSA-N 0 0 553.556 4.819 50 5 KJBARN C[C@H]1N(C)c2cc(NC(=O)c3ccco3)c([P@](=O)(Nc3ccc([N+](=O)[O-])cc3)N3CCOCC3)cc2C1(C)C ZINC000103957216 562825084 /nfs/dbraw/zinc/82/50/84/562825084.db2.gz ILYOTFFSLIOBCU-DWMDNWQVSA-N 0 0 553.556 4.819 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@H](NSc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000104142663 571374789 /nfs/dbraw/zinc/37/47/89/571374789.db2.gz GVMGHXNXGLNLSO-CQSZACIVSA-N 0 0 526.811 4.791 50 5 KJBARN COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@@H](NSc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000104142668 571374849 /nfs/dbraw/zinc/37/48/49/571374849.db2.gz GVMGHXNXGLNLSO-AWEZNQCLSA-N 0 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/nfs/dbraw/zinc/38/75/01/571387501.db2.gz LGFYGNRXFNUZPQ-RDGATRHJSA-N 0 0 524.980 4.580 50 5 KJBARN COc1ccc(Cl)cc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCc3ccc(F)cc3)[C@@H]2C1 ZINC000104919640 571387694 /nfs/dbraw/zinc/38/76/94/571387694.db2.gz OUXZEMWHGXYXPB-RDGATRHJSA-N 0 0 524.980 4.580 50 5 KJBARN O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000104920224 571387811 /nfs/dbraw/zinc/38/78/11/571387811.db2.gz IUZYBECGHAFTFX-IAPPQJPRSA-N 0 0 583.586 4.969 50 5 KJBARN COc1ccc(Cl)cc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCc3cccs3)[C@@H]2C1 ZINC000104920677 571387784 /nfs/dbraw/zinc/38/77/84/571387784.db2.gz URCYHQZJHWYRHY-QPPBQGQZSA-N 0 0 527.046 4.545 50 5 KJBARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000105060584 571390662 /nfs/dbraw/zinc/39/06/62/571390662.db2.gz KYRLCEPTVIZFPU-WXTAPIANSA-N 0 0 537.617 4.508 50 5 KJBARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000105093170 571391305 /nfs/dbraw/zinc/39/13/05/571391305.db2.gz LKKVAKRVZLUPHZ-YKQFMLTQSA-N 0 0 594.734 4.691 50 5 KJBARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000105093176 571391322 /nfs/dbraw/zinc/39/13/22/571391322.db2.gz LKKVAKRVZLUPHZ-FYKGUGFTSA-N 0 0 594.734 4.691 50 5 KJBARN COC(=O)c1cccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2Br)c1 ZINC000105413861 1066396280 /nfs/dbraw/zinc/39/62/80/1066396280.db2.gz PGGBFQXGVORGNR-FYJGNVAPSA-N 0 0 524.327 4.554 50 5 KJBARN COCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(Sc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000105484714 571405081 /nfs/dbraw/zinc/40/50/81/571405081.db2.gz KRFMLASMYSLBGR-UHFFFAOYSA-N 0 0 562.604 4.677 50 5 KJBARN COc1ccc(CCN(CCc2nc(-c3ccc(C)cc3)no2)C(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000105698247 571408423 /nfs/dbraw/zinc/40/84/23/571408423.db2.gz IFWOAWPNZPVXKQ-UHFFFAOYSA-N 0 0 516.554 4.898 50 5 KJBARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C1=O ZINC000105795365 571408711 /nfs/dbraw/zinc/40/87/11/571408711.db2.gz CSMNRWJAVWAZLV-OZNIXHKMSA-N 0 0 585.594 4.722 50 5 KJBARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000105796593 571408875 /nfs/dbraw/zinc/40/88/75/571408875.db2.gz YTGUMACEWQRQPH-WMTXJRDZSA-N 0 0 568.380 4.508 50 5 KJBARN CCOc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000105796596 571408956 /nfs/dbraw/zinc/40/89/56/571408956.db2.gz YTGUMACEWQRQPH-CQOQZXRMSA-N 0 0 568.380 4.508 50 5 KJBARN CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C1=O)CCCC2 ZINC000105906396 571409315 /nfs/dbraw/zinc/40/93/15/571409315.db2.gz RKULNISVQLWWTA-KMDXXIMOSA-N 0 0 547.589 4.763 50 5 KJBARN CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C1=O)CCCC2 ZINC000105906398 571409318 /nfs/dbraw/zinc/40/93/18/571409318.db2.gz RKULNISVQLWWTA-TZRRMPRUSA-N 0 0 547.589 4.763 50 5 KJBARN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000105990157 571410077 /nfs/dbraw/zinc/41/00/77/571410077.db2.gz DIGVXCALHFPCKR-MQSCRBSSSA-N 0 0 572.343 4.652 50 5 KJBARN CCc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000105990176 571410016 /nfs/dbraw/zinc/41/00/16/571410016.db2.gz KMSZUBVANVMKLU-WPFOTENUSA-N 0 0 568.380 4.685 50 5 KJBARN CCc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000105990178 571410117 /nfs/dbraw/zinc/41/01/17/571410117.db2.gz KMSZUBVANVMKLU-AOHZBQACSA-N 0 0 568.380 4.685 50 5 KJBARN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000105990206 571410105 /nfs/dbraw/zinc/41/01/05/571410105.db2.gz LEZXTALPEUKNBI-MQSCRBSSSA-N 0 0 572.343 4.652 50 5 KJBARN 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COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(I)cc(I)c1I ZINC000150424742 571489376 /nfs/dbraw/zinc/48/93/76/571489376.db2.gz ABRIMVORODPCON-UHFFFAOYSA-N 0 0 649.948 4.670 50 5 KJBARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)COc3ccccc3)n1-c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000150425286 571489674 /nfs/dbraw/zinc/48/96/74/571489674.db2.gz BJAURLVRVOBYBG-UHFFFAOYSA-N 0 0 650.739 4.719 50 5 KJBARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)Cc3ccc(OC)cc3)n1-c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000150425367 571489689 /nfs/dbraw/zinc/48/96/89/571489689.db2.gz GBYVUUZRTWRQFO-UHFFFAOYSA-N 0 0 664.766 4.891 50 5 KJBARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccccc3OC)n1-c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000150425527 571489863 /nfs/dbraw/zinc/48/98/63/571489863.db2.gz DLLJBEJNOVBRGA-UHFFFAOYSA-N 0 0 650.739 4.962 50 5 KJBARN Cc1ccc(N(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1 ZINC000150427842 571491790 /nfs/dbraw/zinc/49/17/90/571491790.db2.gz JUMFDFAWAOSKKF-UHFFFAOYSA-N 0 0 693.565 4.877 50 5 KJBARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3ccccc3OC)n1-c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000150428776 571492262 /nfs/dbraw/zinc/49/22/62/571492262.db2.gz VHSRYCWGMTZCTP-QGZVFWFLSA-N 0 0 650.739 4.960 50 5 KJBARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3ccccc3OC)n1-c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000150428779 571492305 /nfs/dbraw/zinc/49/23/05/571492305.db2.gz VHSRYCWGMTZCTP-KRWDZBQOSA-N 0 0 650.739 4.960 50 5 KJBARN COc1ccc(-n2nc(C(=O)NCc3cccc(C(F)(F)F)c3)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 ZINC000150431073 571493316 /nfs/dbraw/zinc/49/33/16/571493316.db2.gz XQPQYWMNAKTPRN-UHFFFAOYSA-N 0 0 675.642 4.860 50 5 KJBARN Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(-c2ccccc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000150431097 571493499 /nfs/dbraw/zinc/49/34/99/571493499.db2.gz LXWHBESUPNFQEL-UHFFFAOYSA-N 0 0 645.616 4.851 50 5 KJBARN COCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1-c1ccc(F)cc1 ZINC000150432514 571494222 /nfs/dbraw/zinc/49/42/22/571494222.db2.gz LCXAGPLDUDVOIP-UHFFFAOYSA-N 0 0 651.595 4.894 50 5 KJBARN COCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1-c1cccc(F)c1 ZINC000150432554 571494331 /nfs/dbraw/zinc/49/43/31/571494331.db2.gz VOXMDNSAFUAZSG-UHFFFAOYSA-N 0 0 651.595 4.894 50 5 KJBARN O=C(Nc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1cc2ccccc2oc1=O ZINC000150460029 571505955 /nfs/dbraw/zinc/50/59/55/571505955.db2.gz VJUMRXFSETXXKB-SQHAQQRYSA-N 0 0 686.725 4.701 50 5 KJBARN O=C(Nc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1c(F)cccc1F ZINC000150460106 571505878 /nfs/dbraw/zinc/50/58/78/571505878.db2.gz SNCGNGRCFWUVTK-VWNXMTODSA-N 0 0 654.674 4.873 50 5 KJBARN C[C@H](NS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc1[N+](=O)[O-])C2=O)c1ccccc1 ZINC000150463681 571507361 /nfs/dbraw/zinc/50/73/61/571507361.db2.gz ZRBBDRCYDUNCAA-ROUUACIJSA-N 0 0 636.664 4.793 50 5 KJBARN C[C@@H](NS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc1[N+](=O)[O-])C2=O)c1ccccc1 ZINC000150463684 571507200 /nfs/dbraw/zinc/50/72/00/571507200.db2.gz ZRBBDRCYDUNCAA-HDICACEKSA-N 0 0 636.664 4.793 50 5 KJBARN C[C@@H](NS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N[C@H](C)c3ccccc3)cc1[N+](=O)[O-])C2=O)c1ccccc1 ZINC000150463687 571507332 /nfs/dbraw/zinc/50/73/32/571507332.db2.gz ZRBBDRCYDUNCAA-QZTJIDSGSA-N 0 0 636.664 4.793 50 5 KJBARN COc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000150470974 571509362 /nfs/dbraw/zinc/50/93/62/571509362.db2.gz ZHYRVFFVGTXFJX-LJAQVGFWSA-N 0 0 639.631 4.775 50 5 KJBARN COc1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000150470978 571509276 /nfs/dbraw/zinc/50/92/76/571509276.db2.gz ZHYRVFFVGTXFJX-GDLZYMKVSA-N 0 0 639.631 4.775 50 5 KJBARN COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000150471850 571509705 /nfs/dbraw/zinc/50/97/05/571509705.db2.gz ZMWUHWJIDAACEI-VWLOTQADSA-N 0 0 664.542 4.894 50 5 KJBARN COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000150471852 571509679 /nfs/dbraw/zinc/50/96/79/571509679.db2.gz ZMWUHWJIDAACEI-RUZDIDTESA-N 0 0 664.542 4.894 50 5 KJBARN COc1ccc(NC(=O)c2cc(I)cc(I)c2I)c([N+](=O)[O-])c1 ZINC000150484889 571515464 /nfs/dbraw/zinc/51/54/64/571515464.db2.gz VIXJOGXPNUAWSE-UHFFFAOYSA-N 0 0 649.948 4.670 50 5 KJBARN CC(=O)Nc1ccc(C(=O)OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OCCOC(=O)c3ccc(NC(C)=O)cc3)C2c2cccc([N+](=O)[O-])c2)cc1 ZINC000150502479 571518991 /nfs/dbraw/zinc/51/89/91/571518991.db2.gz MKDAOBJQZJZLJE-UHFFFAOYSA-N 0 0 728.711 4.547 50 5 KJBARN CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OCCOC(=O)c3ccc(NC(C)=O)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000150508661 571519530 /nfs/dbraw/zinc/51/95/30/571519530.db2.gz YNACZILQCIABLC-XIFFEERXSA-N 0 0 700.701 4.769 50 5 KJBARN CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OCCOC(=O)c3ccc(NC(C)=O)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000150508663 571519463 /nfs/dbraw/zinc/51/94/63/571519463.db2.gz YNACZILQCIABLC-MGBGTMOVSA-N 0 0 700.701 4.769 50 5 KJBARN CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OCCOc3ccc(NC(C)=O)cc3)C2c2cccc([N+](=O)[O-])c2)cc1 ZINC000150508665 571519451 /nfs/dbraw/zinc/51/94/51/571519451.db2.gz HBZSLZJQBAKAHV-UHFFFAOYSA-N 0 0 672.691 4.991 50 5 KJBARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(Br)cc2)cc1 ZINC000150526029 571520327 /nfs/dbraw/zinc/52/03/27/571520327.db2.gz YXYXQPCYGQOLQI-UHFFFAOYSA-N 0 0 639.488 4.776 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(I)c(I)c(I)c1 ZINC000150581203 571521683 /nfs/dbraw/zinc/52/16/83/571521683.db2.gz MNZLHIUEDZUWJQ-UHFFFAOYSA-N 0 0 619.922 4.661 50 5 KJBARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cn(-c5ccccc5)nc4-c4ccc(OC)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000150591722 571522061 /nfs/dbraw/zinc/52/20/61/571522061.db2.gz LRJVZMHOPCEBRH-DJPQNNMESA-N 0 0 665.728 4.965 50 5 KJBARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cn(-c5ccccc5)nc4-c4ccc(OC)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000150591727 571522188 /nfs/dbraw/zinc/52/21/88/571522188.db2.gz LRJVZMHOPCEBRH-PQNXSAFSSA-N 0 0 665.728 4.965 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150609024 571522880 /nfs/dbraw/zinc/52/28/80/571522880.db2.gz QMXMCCKLWJXSQG-DFXMODJXSA-N 0 0 665.728 4.967 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150609026 571522862 /nfs/dbraw/zinc/52/28/62/571522862.db2.gz QMXMCCKLWJXSQG-DTDQMKFYSA-N 0 0 665.728 4.967 50 5 KJBARN COc1c(I)cc(I)cc1/C=C1/N=C(c2cc([N+](=O)[O-])ccc2Cl)OC1=O ZINC000150620239 571523374 /nfs/dbraw/zinc/52/33/74/571523374.db2.gz LJUKRUYEHCQVAL-LHHJGKSTSA-N 0 0 610.529 4.811 50 5 KJBARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000150637311 571524434 /nfs/dbraw/zinc/52/44/34/571524434.db2.gz QCTXCMMZQOWBJC-MQCBVOCZSA-N 0 0 709.737 4.502 50 5 KJBARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000150637315 571524482 /nfs/dbraw/zinc/52/44/82/571524482.db2.gz QCTXCMMZQOWBJC-FSPONLMBSA-N 0 0 709.737 4.502 50 5 KJBARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cn(-c5ccccc5)nc4-c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000150639529 571524632 /nfs/dbraw/zinc/52/46/32/571524632.db2.gz GQTMLAQIRBJCCQ-PSAPEEBNSA-N 0 0 635.702 4.956 50 5 KJBARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cn(-c5ccccc5)nc4-c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000150639531 571524645 /nfs/dbraw/zinc/52/46/45/571524645.db2.gz GQTMLAQIRBJCCQ-OXDPQRGISA-N 0 0 635.702 4.956 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150649460 571525212 /nfs/dbraw/zinc/52/52/12/571525212.db2.gz DTRUPBHLYAJUIY-OXDPQRGISA-N 0 0 651.701 4.576 50 5 KJBARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150649463 571525403 /nfs/dbraw/zinc/52/54/03/571525403.db2.gz DTRUPBHLYAJUIY-PSAPEEBNSA-N 0 0 651.701 4.576 50 5 KJBARN COc1ccccc1C(=O)OC[C@H]1O[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccccc2OC)[C@@H]1OC(=O)c1ccccc1OC ZINC000150663655 571528305 /nfs/dbraw/zinc/52/83/05/571528305.db2.gz JGTAQXDAKWFOCG-FEIGSSFXSA-N 0 0 701.637 4.811 50 5 KJBARN COc1ccccc1C(=O)OC[C@@H]1O[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccccc2OC)[C@@H]1OC(=O)c1ccccc1OC ZINC000150663656 571528312 /nfs/dbraw/zinc/52/83/12/571528312.db2.gz JGTAQXDAKWFOCG-UXZFTYNHSA-N 0 0 701.637 4.811 50 5 KJBARN O=C(CSc1nc2ccc(I)cc2c2nc(=O)c(-c3ccc(F)cc3)nn12)N1CCN(c2ccccc2F)CC1 ZINC000150664075 571528444 /nfs/dbraw/zinc/52/84/44/571528444.db2.gz CRAQPXOICQSEAG-UHFFFAOYSA-N 0 0 670.483 4.628 50 5 KJBARN O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000169681292 571557536 /nfs/dbraw/zinc/55/75/36/571557536.db2.gz IUZYBECGHAFTFX-XCZPVHLTSA-N 0 0 583.586 4.969 50 5 KJBARN O=C(NCCc1ccccc1)c1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2nc3c(nc12)c(C(=O)NCCc1ccccc1)nn3-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000169683504 571558176 /nfs/dbraw/zinc/55/81/76/571558176.db2.gz ZJJKZXRHDNZQLM-UHFFFAOYSA-N 0 0 786.678 4.732 50 5 KJBARN O=C(CSc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000169683529 571558163 /nfs/dbraw/zinc/55/81/63/571558163.db2.gz FMGNMNIJEAHJMR-UHFFFAOYSA-N 0 0 711.720 4.789 50 5 KJBARN CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])S(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N(C)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000169683646 571558185 /nfs/dbraw/zinc/55/81/85/571558185.db2.gz VNLPZKZCURRZBM-UHFFFAOYSA-N 0 0 688.609 4.762 50 5 KJBARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2 ZINC000169690228 571558411 /nfs/dbraw/zinc/55/84/11/571558411.db2.gz NOPYBGDZQFYFSS-KMDXXIMOSA-N 0 0 547.589 4.681 50 5 KJBARN COc1cc2c(cc1OC)[C@@H](C)N(c1ccc(N3C(=O)C[C@@H](c4ccccc4)C3=O)cc1[N+](=O)[O-])CC2 ZINC000169694764 571558865 /nfs/dbraw/zinc/55/88/65/571558865.db2.gz SHOHWHNDJHIHEM-VGSWGCGISA-N 0 0 501.539 4.783 50 5 KJBARN COc1cc2c(cc1OC)[C@H](C)N(c1ccc(N3C(=O)C[C@@H](c4ccccc4)C3=O)cc1[N+](=O)[O-])CC2 ZINC000169694765 571558818 /nfs/dbraw/zinc/55/88/18/571558818.db2.gz SHOHWHNDJHIHEM-JTSKRJEESA-N 0 0 501.539 4.783 50 5 KJBARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000170618245 571562265 /nfs/dbraw/zinc/56/22/65/571562265.db2.gz BSXFIJHWGRUHHK-QHCPKHFHSA-N 0 0 549.030 4.550 50 5 KJBARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000170618246 571562225 /nfs/dbraw/zinc/56/22/25/571562225.db2.gz BSXFIJHWGRUHHK-HSZRJFAPSA-N 0 0 549.030 4.550 50 5 KJBARN COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@H](c3ccccc3[N+](=O)[O-])C2)cc1OC ZINC000170620210 571562590 /nfs/dbraw/zinc/56/25/90/571562590.db2.gz PKZCBUNHFUMWNI-KRWDZBQOSA-N 0 0 500.305 4.959 50 5 KJBARN COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@@H](c3ccccc3[N+](=O)[O-])C2)cc1OC ZINC000170620211 571562613 /nfs/dbraw/zinc/56/26/13/571562613.db2.gz PKZCBUNHFUMWNI-QGZVFWFLSA-N 0 0 500.305 4.959 50 5 KJBARN CCOC(=O)c1c2cc(-c3ccc(OC)c(OC)c3)ncn2c(C(=O)c2cccc([N+](=O)[O-])c2)c1C(=O)OCC ZINC000198694712 571568302 /nfs/dbraw/zinc/56/83/02/571568302.db2.gz LBELQFUIUUTSQJ-UHFFFAOYSA-N 0 0 547.520 4.511 50 5 KJBARN O=C1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cc1OCCCOc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccccc2C1=O ZINC000198696988 571568450 /nfs/dbraw/zinc/56/84/50/571568450.db2.gz RPQXTUZGWJQWLW-UHFFFAOYSA-N 0 0 608.519 4.952 50 5 KJBARN COc1ccccc1NC(=O)c1nc2ccc([N+](=O)[O-])cc2nc1CC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000198722912 571568612 /nfs/dbraw/zinc/56/86/12/571568612.db2.gz AAILKVWHEZDLML-UHFFFAOYSA-N 0 0 554.346 4.856 50 5 KJBARN C[C@H](O)[C@@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(OP(=O)(Oc3ccccc3)Oc3ccccc3)[C@@H](C)[C@@H]12 ZINC000204985598 1067210419 /nfs/dbraw/zinc/21/04/19/1067210419.db2.gz STULDTCHQXVRIX-CWGXUGAXSA-N 0 0 594.513 4.990 50 5 KJBARN O=C(CSc1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cn1 ZINC000215711031 571585029 /nfs/dbraw/zinc/58/50/29/571585029.db2.gz CFOTYARLWBFHAP-UHFFFAOYSA-N 0 0 519.457 4.779 50 5 KJBARN O=C(CSc1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(F)(F)F)cn1 ZINC000215711586 571584959 /nfs/dbraw/zinc/58/49/59/571584959.db2.gz XYTQUQFTPRFTPZ-UHFFFAOYSA-N 0 0 519.457 4.779 50 5 KJBARN O=C(CSc1ncccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000215713853 571585180 /nfs/dbraw/zinc/58/51/80/571585180.db2.gz QZBTYGRALWLCGR-UHFFFAOYSA-N 0 0 535.456 4.659 50 5 KJBARN O=C(CSc1ncccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000215714253 571585193 /nfs/dbraw/zinc/58/51/93/571585193.db2.gz SXTVPFQZRKPIBS-UHFFFAOYSA-N 0 0 535.456 4.659 50 5 KJBARN COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccccc2OC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000215715506 571585201 /nfs/dbraw/zinc/58/52/01/571585201.db2.gz TZBXBQSUEHFAFV-PDGQHHTCSA-N 0 0 531.443 4.920 50 5 KJBARN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000225163844 571653640 /nfs/dbraw/zinc/65/36/40/571653640.db2.gz HUFMLFFVGLRPHU-OYUWMTPXSA-N 0 0 580.509 4.773 50 5 KJBARN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000225163925 571653637 /nfs/dbraw/zinc/65/36/37/571653637.db2.gz HUFMLFFVGLRPHU-ZONZVBGPSA-N 0 0 580.509 4.773 50 5 KJBARN COc1cc(OC)cc([C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2C(=O)c2ccc(Br)o2)c1 ZINC000225496630 571866323 /nfs/dbraw/zinc/86/63/23/571866323.db2.gz NBHPSRSOMXCKQN-IBGZPJMESA-N 0 0 500.305 4.959 50 5 KJBARN COc1cc(OC)cc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2C(=O)c2ccc(Br)o2)c1 ZINC000225496659 571866213 /nfs/dbraw/zinc/86/62/13/571866213.db2.gz NBHPSRSOMXCKQN-LJQANCHMSA-N 0 0 500.305 4.959 50 5 KJBARN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000226404903 572137167 /nfs/dbraw/zinc/13/71/67/572137167.db2.gz WFVIEGWPYBXRJF-OWAUWMPXSA-N 0 0 512.518 4.708 50 5 KJBARN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000226408401 572137664 /nfs/dbraw/zinc/13/76/64/572137664.db2.gz RDFBLFHZIOUACG-AMDXRBSFSA-N 0 0 512.518 4.708 50 5 KJBARN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000226424071 572137727 /nfs/dbraw/zinc/13/77/27/572137727.db2.gz CCJHHQBNWVNZIA-AMDXRBSFSA-N 0 0 512.518 4.708 50 5 KJBARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000227018905 572147394 /nfs/dbraw/zinc/14/73/94/572147394.db2.gz CSMNRWJAVWAZLV-HZFUHODCSA-N 0 0 585.594 4.722 50 5 KJBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000227070306 572148902 /nfs/dbraw/zinc/14/89/02/572148902.db2.gz SMCKRAPUDIDSSG-OYUWMTPXSA-N 0 0 525.517 4.816 50 5 KJBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000227083106 572149790 /nfs/dbraw/zinc/14/97/90/572149790.db2.gz PQOCXMGKHRLBJX-BHDDXSALSA-N 0 0 542.317 4.556 50 5 KJBARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OCC)c4)[C@@H]3C2=O)cc1 ZINC000227085813 572149656 /nfs/dbraw/zinc/14/96/56/572149656.db2.gz GTUXVSNIMFGURM-SONWIMMPSA-N 0 0 598.406 4.911 50 5 KJBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000227085874 572150220 /nfs/dbraw/zinc/15/02/20/572150220.db2.gz TXOPZUAEOPGLDM-BXTSTYNKSA-N 0 0 555.543 4.825 50 5 KJBARN COc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000227086616 572150480 /nfs/dbraw/zinc/15/04/80/572150480.db2.gz COHIBGBERYDFRK-HZFUHODCSA-N 0 0 565.538 4.874 50 5 KJBARN Cc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000227230023 572150802 /nfs/dbraw/zinc/15/08/02/572150802.db2.gz DVCZDRCEAYRFBE-HZFUHODCSA-N 0 0 585.594 4.722 50 5 KJBARN CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000227233830 572151750 /nfs/dbraw/zinc/15/17/50/572151750.db2.gz JXJTWXJZSZYYJA-YTFSRNRJSA-N 0 0 522.355 4.971 50 5 KJBARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000227234507 572151813 /nfs/dbraw/zinc/15/18/13/572151813.db2.gz KTGJPNGCODAZTE-YTFSRNRJSA-N 0 0 538.354 4.725 50 5 KJBARN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1cccc([N+](=O)[O-])c1 ZINC000227235718 572151723 /nfs/dbraw/zinc/15/17/23/572151723.db2.gz ZHOHUBOBSUQXHY-BHDDXSALSA-N 0 0 542.317 4.556 50 5 KJBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000227235754 572151770 /nfs/dbraw/zinc/15/17/70/572151770.db2.gz XDJVBOVYZPVUFC-YTFSRNRJSA-N 0 0 544.347 4.970 50 5 KJBARN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000227236528 572151645 /nfs/dbraw/zinc/15/16/45/572151645.db2.gz JKALMILGQCTTEK-JIMJEQGWSA-N 0 0 517.538 4.833 50 5 KJBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000227240959 572152472 /nfs/dbraw/zinc/15/24/72/572152472.db2.gz NACQJOHCJVBLGN-UPRLRBBYSA-N 0 0 565.538 4.874 50 5 KJBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000227241440 572152269 /nfs/dbraw/zinc/15/22/69/572152269.db2.gz YKMBVPJNCUGXTC-TUNNFDKTSA-N 0 0 574.771 4.776 50 5 KJBARN CCOc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OCC)c4)[C@@H]3C2=O)c1 ZINC000227242525 572152884 /nfs/dbraw/zinc/15/28/84/572152884.db2.gz HOOJZYRVUJCISB-SONWIMMPSA-N 0 0 598.406 4.911 50 5 KJBARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000227243603 572153025 /nfs/dbraw/zinc/15/30/25/572153025.db2.gz JJWRMUDJDIYGKZ-UPRLRBBYSA-N 0 0 565.538 4.874 50 5 KJBARN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000227244103 572153042 /nfs/dbraw/zinc/15/30/42/572153042.db2.gz KGBLZUFTTAWBDC-OYUWMTPXSA-N 0 0 535.512 4.865 50 5 KJBARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000227245083 572152771 /nfs/dbraw/zinc/15/27/71/572152771.db2.gz LEZXTALPEUKNBI-QZNHQXDQSA-N 0 0 572.343 4.652 50 5 KJBARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000227246936 572152761 /nfs/dbraw/zinc/15/27/61/572152761.db2.gz DIGVXCALHFPCKR-QZNHQXDQSA-N 0 0 572.343 4.652 50 5 KJBARN O=C(c1ccncc1)[C@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000229591402 572154649 /nfs/dbraw/zinc/15/46/49/572154649.db2.gz GAPOEWQYCCWKTE-WPQKMFINSA-N 0 0 542.551 4.846 50 5 KJBARN CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@@H]2c3ccccc3C=NN12 ZINC000229595221 572154587 /nfs/dbraw/zinc/15/45/87/572154587.db2.gz IHDWWOZGCSNCIG-SGNDLWITSA-N 0 0 561.591 4.540 50 5 KJBARN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@@H]2c3ccccc3C=NN12 ZINC000229595240 572154662 /nfs/dbraw/zinc/15/46/62/572154662.db2.gz IHDWWOZGCSNCIG-HJOGWXRNSA-N 0 0 561.591 4.540 50 5 KJBARN O=C(c1ccccn1)[C@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000229596836 572155291 /nfs/dbraw/zinc/15/52/91/572155291.db2.gz QFQNFSBUMVTLLS-WPQKMFINSA-N 0 0 542.551 4.846 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1Br ZINC000229599738 572155055 /nfs/dbraw/zinc/15/50/55/572155055.db2.gz LLNFKGPUGXKGRC-NDBXHCKUSA-N 0 0 574.387 4.764 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000229607698 572155671 /nfs/dbraw/zinc/15/56/71/572155671.db2.gz CYZDQXZHZIFUOJ-KEZOAJOQSA-N 0 0 548.477 4.642 50 5 KJBARN COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN23)cc1 ZINC000229614708 572157272 /nfs/dbraw/zinc/15/72/72/572157272.db2.gz QKOKFEDFPJKHSQ-QPXUXIHVSA-N 0 0 506.356 4.843 50 5 KJBARN O=C(c1cccnc1)[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000229648518 572158935 /nfs/dbraw/zinc/15/89/35/572158935.db2.gz BAESHRZXCGUVQV-ZANBNESNSA-N 0 0 542.551 4.972 50 5 KJBARN COc1ccc(C(=O)OCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000229794509 572160077 /nfs/dbraw/zinc/16/00/77/572160077.db2.gz OFDSWZGCIWFWHE-XKTNMOEVSA-N 0 0 505.483 4.769 50 5 KJBARN O=C(C1=C2C(O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N12)c1cccc([N+](=O)[O-])c1 ZINC000229856743 572161121 /nfs/dbraw/zinc/16/11/21/572161121.db2.gz CUVMCQWZQGOKDL-KEZOAJOQSA-N 0 0 517.900 4.660 50 5 KJBARN CC(C)C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000229860389 572161648 /nfs/dbraw/zinc/16/16/48/572161648.db2.gz IJGGTWQIFAZJRY-PHSLVXOISA-N 0 0 552.583 4.628 50 5 KJBARN O=C(c1cccnc1)[C@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000229867489 572163298 /nfs/dbraw/zinc/16/32/98/572163298.db2.gz RKQXMMYDYMWKCF-WPQKMFINSA-N 0 0 542.551 4.846 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1Br ZINC000229867550 572163361 /nfs/dbraw/zinc/16/33/61/572163361.db2.gz ZOPSTIZTHKWYBF-NDBXHCKUSA-N 0 0 574.387 4.764 50 5 KJBARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000229868994 572163157 /nfs/dbraw/zinc/16/31/57/572163157.db2.gz PDTKWHWUXPKTSO-KJHMZRPRSA-N 0 0 585.572 4.821 50 5 KJBARN CC(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000229869193 572162977 /nfs/dbraw/zinc/16/29/77/572162977.db2.gz ZMDOZOHHCXQZTJ-FQJHJXCSSA-N 0 0 513.937 4.810 50 5 KJBARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N23)cc1Br ZINC000229873559 572164721 /nfs/dbraw/zinc/16/47/21/572164721.db2.gz MAIXRGDQKGBNEC-QVQNZMNRSA-N 0 0 574.387 4.639 50 5 KJBARN CC(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N21 ZINC000229874296 572164687 /nfs/dbraw/zinc/16/46/87/572164687.db2.gz HXLIQMCRPKSYOP-TXQUNOLYSA-N 0 0 507.546 4.856 50 5 KJBARN CCOc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OC)c4)[C@@H]3C2=O)c1 ZINC000229894366 572166083 /nfs/dbraw/zinc/16/60/83/572166083.db2.gz AUDIYBOVBGUIKF-WMTXJRDZSA-N 0 0 584.379 4.521 50 5 KJBARN COc1ccccc1N1C(=O)[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000229909801 572168424 /nfs/dbraw/zinc/16/84/24/572168424.db2.gz HXEWDDRSXPSICH-BHDDXSALSA-N 0 0 514.321 4.961 50 5 KJBARN CCc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000229913755 572168889 /nfs/dbraw/zinc/16/88/89/572168889.db2.gz KMSZUBVANVMKLU-WMTXJRDZSA-N 0 0 568.380 4.685 50 5 KJBARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000229916878 572169092 /nfs/dbraw/zinc/16/90/92/572169092.db2.gz PDTKWHWUXPKTSO-ZXYZSCNASA-N 0 0 585.572 4.821 50 5 KJBARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N21 ZINC000229916888 572169046 /nfs/dbraw/zinc/16/90/46/572169046.db2.gz PDTKWHWUXPKTSO-ATIZSFMBSA-N 0 0 585.572 4.821 50 5 KJBARN O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000229921168 572169686 /nfs/dbraw/zinc/16/96/86/572169686.db2.gz HXYCEHUCXGWJSZ-PWRODBHTSA-N 0 0 500.294 4.658 50 5 KJBARN CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000229930655 572170809 /nfs/dbraw/zinc/17/08/09/572170809.db2.gz XEPTUFMXUZSMFQ-BXTSTYNKSA-N 0 0 577.590 4.851 50 5 KJBARN Cc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1 ZINC000229943625 572172579 /nfs/dbraw/zinc/17/25/79/572172579.db2.gz FIXGWXNWRWCBJM-UPRLRBBYSA-N 0 0 585.594 4.722 50 5 KJBARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000229954082 572174006 /nfs/dbraw/zinc/17/40/06/572174006.db2.gz AWAVSSVWQXYSBA-YCAMKHIRSA-N 0 0 548.477 4.768 50 5 KJBARN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000229967727 572174741 /nfs/dbraw/zinc/17/47/41/572174741.db2.gz NILNZZSEIZWHAH-BHDDXSALSA-N 0 0 521.551 4.501 50 5 KJBARN CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2 ZINC000229967761 572174405 /nfs/dbraw/zinc/17/44/05/572174405.db2.gz YOOHXOKNVQNNGU-RBZQAINGSA-N 0 0 547.589 4.763 50 5 KJBARN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000229967816 572174711 /nfs/dbraw/zinc/17/47/11/572174711.db2.gz ULOLGBZDOHNAAX-BHDDXSALSA-N 0 0 521.551 4.501 50 5 KJBARN CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C1=O)CCCC2 ZINC000229967828 572174606 /nfs/dbraw/zinc/17/46/06/572174606.db2.gz RKULNISVQLWWTA-RBZQAINGSA-N 0 0 547.589 4.763 50 5 KJBARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)cc1 ZINC000229980584 572176717 /nfs/dbraw/zinc/17/67/17/572176717.db2.gz LNIQFDVKUPFSIP-FREGXXQWSA-N 0 0 525.561 4.812 50 5 KJBARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)cc1 ZINC000229980591 572176685 /nfs/dbraw/zinc/17/66/85/572176685.db2.gz LNIQFDVKUPFSIP-YZNIXAGQSA-N 0 0 525.561 4.812 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000230013881 572178455 /nfs/dbraw/zinc/17/84/55/572178455.db2.gz RGBVBOYPRRFCQI-KEZOAJOQSA-N 0 0 549.370 4.930 50 5 KJBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000230026047 572179578 /nfs/dbraw/zinc/17/95/78/572179578.db2.gz STKWEIMRVZYYKS-KEZOAJOQSA-N 0 0 548.477 4.642 50 5 KJBARN O=C(c1cccnc1)[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000230031026 572180096 /nfs/dbraw/zinc/18/00/96/572180096.db2.gz BAESHRZXCGUVQV-BVHQZVKASA-N 0 0 542.551 4.972 50 5 KJBARN CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C1=O)CCCC2 ZINC000238924250 572189492 /nfs/dbraw/zinc/18/94/92/572189492.db2.gz RKULNISVQLWWTA-WXFUMESZSA-N 0 0 547.589 4.763 50 5 KJBARN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O ZINC000238937224 572189583 /nfs/dbraw/zinc/18/95/83/572189583.db2.gz ULOLGBZDOHNAAX-YPAWHYETSA-N 0 0 521.551 4.501 50 5 KJBARN CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C1=O)CCCC2 ZINC000238950546 572190000 /nfs/dbraw/zinc/19/00/00/572190000.db2.gz YOOHXOKNVQNNGU-WXFUMESZSA-N 0 0 547.589 4.763 50 5 KJBARN CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc(Br)cc2)N[C@@H](c2ccc(Br)cc2)[C@H]1[N+](=O)[O-] ZINC000239309736 572193567 /nfs/dbraw/zinc/19/35/67/572193567.db2.gz HUTRAJQDESQABB-WNRNVDISSA-N 0 0 513.186 4.914 50 5 KJBARN CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2ccc(Br)cc2)N[C@@H](c2ccc(Br)cc2)[C@H]1[N+](=O)[O-] ZINC000239309737 572193517 /nfs/dbraw/zinc/19/35/17/572193517.db2.gz HUTRAJQDESQABB-XMTFNYHQSA-N 0 0 513.186 4.914 50 5 KJBARN CC1(C)[C@H]([N+](=O)[O-])[C@H](c2cccc(Br)c2)N[C@@H](c2cccc(Br)c2)[C@H]1[N+](=O)[O-] ZINC000239412597 572194948 /nfs/dbraw/zinc/19/49/48/572194948.db2.gz SYQOCZQEGKASDM-WNRNVDISSA-N 0 0 513.186 4.914 50 5 KJBARN CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2cccc(Br)c2)N[C@@H](c2cccc(Br)c2)[C@H]1[N+](=O)[O-] ZINC000239412598 572195001 /nfs/dbraw/zinc/19/50/01/572195001.db2.gz SYQOCZQEGKASDM-XMTFNYHQSA-N 0 0 513.186 4.914 50 5 KJBARN COc1ccc(OC)c(C2=NN(C(=O)c3ccc(Br)o3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000242167699 572196994 /nfs/dbraw/zinc/19/69/94/572196994.db2.gz WYSMWHJGGRKECY-GOSISDBHSA-N 0 0 500.305 4.959 50 5 KJBARN COc1ccc(OC)c(C2=NN(C(=O)c3ccc(Br)o3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000242167700 572196772 /nfs/dbraw/zinc/19/67/72/572196772.db2.gz WYSMWHJGGRKECY-SFHVURJKSA-N 0 0 500.305 4.959 50 5 KJBARN O=S(=O)(NC1CCN(c2nc(C(F)(F)F)nc3ccc4ccccc4c32)CC1)c1ccc(F)cc1 ZINC000242273510 572196759 /nfs/dbraw/zinc/19/67/59/572196759.db2.gz YDGIPJWXSSKJKE-UHFFFAOYSA-N 0 0 504.509 4.888 50 5 KJBARN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O ZINC000245026729 572200961 /nfs/dbraw/zinc/20/09/61/572200961.db2.gz NILNZZSEIZWHAH-YPAWHYETSA-N 0 0 521.551 4.501 50 5 KJBARN CCOc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OC)c4)[C@H]3C2=O)c1 ZINC000245245164 572217342 /nfs/dbraw/zinc/21/73/42/572217342.db2.gz AUDIYBOVBGUIKF-CQOQZXRMSA-N 0 0 584.379 4.521 50 5 KJBARN COc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000245245248 572217179 /nfs/dbraw/zinc/21/71/79/572217179.db2.gz COHIBGBERYDFRK-OZNIXHKMSA-N 0 0 565.538 4.874 50 5 KJBARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1 ZINC000245245820 572218397 /nfs/dbraw/zinc/21/83/97/572218397.db2.gz UTTKVXVYRQLQSK-OPYAIIAOSA-N 0 0 502.546 4.501 50 5 KJBARN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1 ZINC000245245823 572218356 /nfs/dbraw/zinc/21/83/56/572218356.db2.gz UTTKVXVYRQLQSK-UEXGIBASSA-N 0 0 502.546 4.501 50 5 KJBARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OCC)c4)[C@H]3C2=O)cc1 ZINC000245246055 572218735 /nfs/dbraw/zinc/21/87/35/572218735.db2.gz GTUXVSNIMFGURM-GIFXNVAJSA-N 0 0 598.406 4.911 50 5 KJBARN CCOc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OCC)c4)[C@H]3C2=O)c1 ZINC000245246080 572218573 /nfs/dbraw/zinc/21/85/73/572218573.db2.gz HOOJZYRVUJCISB-GIFXNVAJSA-N 0 0 598.406 4.911 50 5 KJBARN COc1ccccc1N1C(=O)[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000245246091 572218791 /nfs/dbraw/zinc/21/87/91/572218791.db2.gz HXEWDDRSXPSICH-YPAWHYETSA-N 0 0 514.321 4.961 50 5 KJBARN CCc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000245246397 572219394 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