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/nfs/dbraw/zinc/44/95/30/212449530.db2.gz OKMZBYGSJNGUND-UHFFFAOYSA-N 0 0 344.323 2.707 40 5 EFBBRN COc1ccc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000024581250 212426976 /nfs/dbraw/zinc/42/69/76/212426976.db2.gz NZKAHKOVKIVHDC-UHFFFAOYSA-N 0 0 332.331 2.944 40 5 EFBBRN COc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000022259468 212286750 /nfs/dbraw/zinc/28/67/50/212286750.db2.gz XHQAFDZJMDSODD-UHFFFAOYSA-N 0 0 347.283 2.529 40 5 EFBBRN CCOc1cccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000216270091 241178354 /nfs/dbraw/zinc/17/83/54/241178354.db2.gz IPIMXCNTLFSNNU-UHFFFAOYSA-N 0 0 336.369 2.935 40 5 EFBBRN NC(=O)c1cn(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc12 ZINC000216961127 241227264 /nfs/dbraw/zinc/22/72/64/241227264.db2.gz QNNWAEUJOSWCOV-UHFFFAOYSA-N 0 0 343.726 2.990 40 5 EFBBRN COc1cc(OC)cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000218890737 241351013 /nfs/dbraw/zinc/35/10/13/241351013.db2.gz UJAYSNCSLXYJMG-UHFFFAOYSA-N 0 0 346.339 2.938 40 5 EFBBRN COc1ccc(C)cc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225028127 241787622 /nfs/dbraw/zinc/78/76/22/241787622.db2.gz ZIIMRBAIMGMASE-UHFFFAOYSA-N 0 0 336.369 2.737 40 5 EFBBRN Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000225776126 242030706 /nfs/dbraw/zinc/03/07/06/242030706.db2.gz PQQRRPZFINUWOQ-HUUCEWRRSA-N 0 0 344.371 2.746 40 5 EFBBRN COc1ccccc1OS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000226862753 242118147 /nfs/dbraw/zinc/11/81/47/242118147.db2.gz GVMWADJULXRDLM-UHFFFAOYSA-N 0 0 327.289 2.510 40 5 EFBBRN COCCNc1ccc(-c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] ZINC000020897875 212183760 /nfs/dbraw/zinc/18/37/60/212183760.db2.gz JACQZMXDPZLJNU-UHFFFAOYSA-N 0 0 341.327 2.765 40 5 EFBBRN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000252502381 243825331 /nfs/dbraw/zinc/82/53/31/243825331.db2.gz UPJFDNCAXBOGBY-GFCCVEGCSA-N 0 0 343.387 2.939 40 5 EFBBRN Cc1n[nH]c(C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000076648937 216800050 /nfs/dbraw/zinc/80/00/50/216800050.db2.gz WRETVDAQVWDAKE-VIFPVBQESA-N 0 0 336.779 2.983 40 5 EFBBRN C[C@H]1Cc2ccccc2N1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000020488268 212137731 /nfs/dbraw/zinc/13/77/31/212137731.db2.gz QGIYZYXBWKAMHY-LBPRGKRZSA-N 0 0 332.381 2.876 40 5 EFBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(CN2CCOCC2)c1 ZINC000020050373 212097833 /nfs/dbraw/zinc/09/78/33/212097833.db2.gz PAPRQTMPIKYTRE-UHFFFAOYSA-N 0 0 341.367 2.679 40 5 EFBBRN CCc1nnc(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])n1CC ZINC000020034312 212095216 /nfs/dbraw/zinc/09/52/16/212095216.db2.gz UXVZSGLKMGLEPC-UHFFFAOYSA-N 0 0 349.416 2.808 40 5 EFBBRN Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000077995011 217011072 /nfs/dbraw/zinc/01/10/72/217011072.db2.gz DVLMVIHEIDPIIS-GFCCVEGCSA-N 0 0 332.335 2.567 40 5 EFBBRN Nn1c(Sc2ccc([N+](=O)[O-])cc2Cl)nnc1C(F)(F)F ZINC000078406500 217049182 /nfs/dbraw/zinc/04/91/82/217049182.db2.gz IKGRPBPFMZEBLA-UHFFFAOYSA-N 0 0 339.686 2.724 40 5 EFBBRN CCO[C@H](C)c1noc(CNc2ncc([N+](=O)[O-])cc2Cl)n1 ZINC000078459001 217055427 /nfs/dbraw/zinc/05/54/27/217055427.db2.gz FMWBDGGPFSDOGG-SSDOTTSWSA-N 0 0 327.728 2.736 40 5 EFBBRN CC1CCC(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)CC1 ZINC000078581687 217080996 /nfs/dbraw/zinc/08/09/96/217080996.db2.gz VXUDOYOVCOTZNX-OWYJLGKBSA-N 0 0 345.399 2.961 40 5 EFBBRN O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000016449206 211904870 /nfs/dbraw/zinc/90/48/70/211904870.db2.gz NDQGJSHCOZZQAX-UHFFFAOYSA-N 0 0 330.252 2.543 40 5 EFBBRN Cc1c(CN2CCC[C@@H]2C(=O)Nc2nccs2)cccc1[N+](=O)[O-] ZINC000079309160 217206066 /nfs/dbraw/zinc/20/60/66/217206066.db2.gz XRXJCKMVZYFQOB-CQSZACIVSA-N 0 0 346.412 2.963 40 5 EFBBRN COc1cc(C(=O)N(C)CCOc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000079336446 217211173 /nfs/dbraw/zinc/21/11/73/217211173.db2.gz WRCHTWKNENFWAC-UHFFFAOYSA-N 0 0 348.330 2.894 40 5 EFBBRN Cn1cccc1[C@H]1CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000079355372 217213208 /nfs/dbraw/zinc/21/32/08/217213208.db2.gz NHFJYORSSDAVNK-MRXNPFEDSA-N 0 0 328.372 2.709 40 5 EFBBRN CN(CC(=O)NCc1csc(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000080217761 217289377 /nfs/dbraw/zinc/28/93/77/217289377.db2.gz CXMVZNPDAYLKQU-UHFFFAOYSA-N 0 0 346.412 2.681 40 5 EFBBRN CC(C)[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000080386957 217301741 /nfs/dbraw/zinc/30/17/41/217301741.db2.gz NPZYMXVHAQEOCH-SFHVURJKSA-N 0 0 342.399 2.940 40 5 EFBBRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2n[nH]cc2C1 ZINC000079455646 296206412 /nfs/dbraw/zinc/20/64/12/296206412.db2.gz PULVHFFZBPSNNW-UHFFFAOYSA-N 0 0 340.261 2.535 40 5 EFBBRN Cc1ccc(NC(=O)C[C@H]2Nc3ccccc3OC2=O)cc1[N+](=O)[O-] ZINC000010325471 211164549 /nfs/dbraw/zinc/16/45/49/211164549.db2.gz ZIURIROYTOPBPL-CYBMUJFWSA-N 0 0 341.323 2.632 40 5 EFBBRN Cc1ccc(CCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000010110525 211149263 /nfs/dbraw/zinc/14/92/63/211149263.db2.gz OTMXEIJBIBQZOY-UHFFFAOYSA-N 0 0 334.397 2.814 40 5 EFBBRN CC[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccccc1 ZINC000009220957 211055495 /nfs/dbraw/zinc/05/54/95/211055495.db2.gz LNJCUHSFIYAFGO-GFCCVEGCSA-N 0 0 349.412 2.848 40 5 EFBBRN O=C(c1ccnc(OCC(F)F)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000095442965 218386960 /nfs/dbraw/zinc/38/69/60/218386960.db2.gz ORLLHFPALAZTIV-UHFFFAOYSA-N 0 0 349.293 2.837 40 5 EFBBRN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1Cc1cccnc1 ZINC000004347902 285018239 /nfs/dbraw/zinc/01/82/39/285018239.db2.gz OINXEWZZLOPWOD-UHFFFAOYSA-N 0 0 333.303 2.939 40 5 EFBBRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCc2cccn2C)c1 ZINC000096425702 218794896 /nfs/dbraw/zinc/79/48/96/218794896.db2.gz RDWBGXNAJYPZNM-GFCCVEGCSA-N 0 0 331.372 2.693 40 5 EFBBRN COc1cc(NC2CCN(C(=O)c3ccoc3)CC2)ccc1[N+](=O)[O-] ZINC000096427310 218799025 /nfs/dbraw/zinc/79/90/25/218799025.db2.gz LJVIDOBGDHQCJZ-UHFFFAOYSA-N 0 0 345.355 2.913 40 5 EFBBRN O=C(NC[C@H]1CCCC[C@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000096431237 218805802 /nfs/dbraw/zinc/80/58/02/218805802.db2.gz PNCWMLHLWZDFKU-NOZJJQNGSA-N 0 0 346.305 2.895 40 5 EFBBRN CCCCc1c(=O)oc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc1OC ZINC000005421438 210460866 /nfs/dbraw/zinc/46/08/66/210460866.db2.gz GTBUQDUFJUOUMX-UHFFFAOYSA-N 0 0 349.299 2.869 40 5 EFBBRN COc1ccc(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000005032043 210368627 /nfs/dbraw/zinc/36/86/27/210368627.db2.gz WBVQXZGLBRCNEP-UHFFFAOYSA-N 0 0 345.307 2.652 40 5 EFBBRN CC(=O)c1cccc(NC(=O)CSc2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000004872937 210309278 /nfs/dbraw/zinc/30/92/78/210309278.db2.gz DZIRVKNJMRWSOB-UHFFFAOYSA-N 0 0 334.357 2.560 40 5 EFBBRN O=[N+]([O-])c1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000005945080 285137972 /nfs/dbraw/zinc/13/79/72/285137972.db2.gz INZSIIZAFWWOSJ-UHFFFAOYSA-N 0 0 336.413 2.842 40 5 EFBBRN O=C(CN1C(=O)COc2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000392153215 257841314 /nfs/dbraw/zinc/84/13/14/257841314.db2.gz ZMPNKSQTFHCHLS-UHFFFAOYSA-N 0 0 346.726 2.857 40 5 EFBBRN Nc1cccc([N+](=O)[O-])c1C(=O)NCCC1Cc2ccccc2C1 ZINC000272352443 257995922 /nfs/dbraw/zinc/99/59/22/257995922.db2.gz AMFCCFUTBWYCDI-UHFFFAOYSA-N 0 0 325.368 2.712 40 5 EFBBRN Cc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1 ZINC000020611669 135721587 /nfs/dbraw/zinc/72/15/87/135721587.db2.gz UYSGSORNZOSIBR-UHFFFAOYSA-N 0 0 341.367 2.992 40 5 EFBBRN CCOC(=O)c1ccnc(N2CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000096413671 285968276 /nfs/dbraw/zinc/96/82/76/285968276.db2.gz SETNHJVNCUCYEN-VIFPVBQESA-N 0 0 347.293 2.945 40 5 EFBBRN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc([N+](=O)[O-])cc1O ZINC000005520512 544421140 /nfs/dbraw/zinc/42/11/40/544421140.db2.gz NFNQOCHTOGMAEJ-OAHLLOKOSA-N 0 0 346.295 2.599 40 5 EFBBRN Cc1ccnc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C2CC2)n1 ZINC000096487353 544559266 /nfs/dbraw/zinc/55/92/66/544559266.db2.gz OIYUQLPEKCCHFN-OAHLLOKOSA-N 0 0 326.356 2.883 40 5 EFBBRN COc1cccc(N2CCN([C@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000185424486 274147876 /nfs/dbraw/zinc/14/78/76/274147876.db2.gz ACDBJSBVSZCABY-CQSZACIVSA-N 0 0 342.399 2.882 40 5 EFBBRN CC(C)c1noc(-c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)n1 ZINC000015833932 276078267 /nfs/dbraw/zinc/07/82/67/276078267.db2.gz UDQNGHPTZCDLBK-UHFFFAOYSA-N 0 0 331.376 2.520 40 5 EFBBRN COc1cccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)c1 ZINC000073642344 278007432 /nfs/dbraw/zinc/00/74/32/278007432.db2.gz YNSPBVWDIQOXEO-UHFFFAOYSA-N 0 0 325.324 2.683 40 5 EFBBRN Cc1ccoc1C(=O)NC1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000096406521 278993756 /nfs/dbraw/zinc/99/37/56/278993756.db2.gz UGOFBBDIVXWJSG-UHFFFAOYSA-N 0 0 344.371 2.598 40 5 EFBBRN Cc1ccc([N+](=O)[O-])c(N2CCC(C(=O)Nc3nncs3)CC2)c1 ZINC000088701699 281010036 /nfs/dbraw/zinc/01/00/36/281010036.db2.gz WALJBPVCJAHFIE-UHFFFAOYSA-N 0 0 347.400 2.610 40 5 EFBBRN O=[N+]([O-])c1cnc(N2CCO[C@@H]3CCCC[C@H]32)c(Br)c1 ZINC000230125235 304812203 /nfs/dbraw/zinc/81/22/03/304812203.db2.gz KNNYRHAIJAKHGX-VXGBXAGGSA-N 0 0 342.193 2.900 40 5 EFBBRN O=[N+]([O-])c1cnc(N2CCO[C@H]3CCCC[C@@H]32)c(Br)c1 ZINC000084488548 304812208 /nfs/dbraw/zinc/81/22/08/304812208.db2.gz KNNYRHAIJAKHGX-RYUDHWBXSA-N 0 0 342.193 2.900 40 5 EFBBRN Cc1ccc(C(=O)CCn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000097098626 323213294 /nfs/dbraw/zinc/21/32/94/323213294.db2.gz USFABVYNMYBFHS-UHFFFAOYSA-N 0 0 337.335 2.886 40 5 EFBBRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000119965225 323215576 /nfs/dbraw/zinc/21/55/76/323215576.db2.gz SWSIFXNJVMBOOE-CYBMUJFWSA-N 0 0 344.375 2.672 40 5 EFBBRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(F)ccc(F)c1F ZINC000131835567 323218858 /nfs/dbraw/zinc/21/88/58/323218858.db2.gz OIOVVZZZYSLPQZ-UHFFFAOYSA-N 0 0 340.257 2.951 40 5 EFBBRN COc1ccc(-c2nnc([C@@H](N)c3ccc(C)cc3)[nH]2)cc1[N+](=O)[O-] ZINC000095534184 473223571 /nfs/dbraw/zinc/22/35/71/473223571.db2.gz JGTSSCBZQQZDPF-HNNXBMFYSA-N 0 0 339.355 2.745 40 5 EFBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2NC(=S)NC2=O)o1 ZINC000000176945 471331902 /nfs/dbraw/zinc/33/19/02/471331902.db2.gz ISUYVFURJRRILF-YRNVUSSQSA-N 0 0 345.336 2.620 40 5 EFBBRN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Cl)ccc1O ZINC000000196074 471333841 /nfs/dbraw/zinc/33/38/41/471333841.db2.gz RRQBGHIZLRUWNH-UHFFFAOYSA-N 0 0 345.142 2.751 40 5 EFBBRN CCn1ncc([N+](=O)[O-])c1C(=O)Nc1nc2cccc(C)c2s1 ZINC000000800680 471375701 /nfs/dbraw/zinc/37/57/01/471375701.db2.gz NPEVFXGTTWPXAG-UHFFFAOYSA-N 0 0 331.357 2.982 40 5 EFBBRN O=C1CS[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1c1nncs1 ZINC000001611381 471393757 /nfs/dbraw/zinc/39/37/57/471393757.db2.gz QLNVAMUJBPTMLV-SNVBAGLBSA-N 0 0 342.789 2.878 40 5 EFBBRN CCOC(=O)CC(=O)Nc1cccc2sc3ncccc3c(=O)c12 ZINC000001644309 471394850 /nfs/dbraw/zinc/39/48/50/471394850.db2.gz LIXGSGUWVYZYCK-UHFFFAOYSA-N 0 0 342.376 2.701 40 5 EFBBRN C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccccc1[N+](=O)[O-] ZINC000002041573 471399866 /nfs/dbraw/zinc/39/98/66/471399866.db2.gz KTBMOJNEQIETCR-GFCCVEGCSA-N 0 0 344.323 2.815 40 5 EFBBRN CCc1ccccc1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000001934166 471400563 /nfs/dbraw/zinc/40/05/63/471400563.db2.gz AHYRMRAZFKSHCN-UHFFFAOYSA-N 0 0 328.324 2.953 40 5 EFBBRN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000002676487 471415879 /nfs/dbraw/zinc/41/58/79/471415879.db2.gz GZARFRDNLHYSSW-SECBINFHSA-N 0 0 347.249 2.918 40 5 EFBBRN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000002689957 471416698 /nfs/dbraw/zinc/41/66/98/471416698.db2.gz LLRCMZYSOMXLSL-UHFFFAOYSA-N 0 0 345.267 2.542 40 5 EFBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)cc(C)n1 ZINC000003241884 471437745 /nfs/dbraw/zinc/43/77/45/471437745.db2.gz UEFQIMSEEJCIOG-UHFFFAOYSA-N 0 0 348.384 2.741 40 5 EFBBRN O=C(/C=C/c1ccccc1)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003391095 471444594 /nfs/dbraw/zinc/44/45/94/471444594.db2.gz CXGAVQRPOKPAJP-MDZDMXLPSA-N 0 0 326.308 2.790 40 5 EFBBRN COCCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1 ZINC000005261845 471496616 /nfs/dbraw/zinc/49/66/16/471496616.db2.gz NHQNOLCDSZPDJR-UHFFFAOYSA-N 0 0 329.356 2.583 40 5 EFBBRN COc1ccc(CCNC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1OC ZINC000005542036 471509805 /nfs/dbraw/zinc/50/98/05/471509805.db2.gz MJNLJYKATDCPDI-UHFFFAOYSA-N 0 0 344.367 2.893 40 5 EFBBRN CC(=O)CCSc1nc2cc([N+](=O)[O-])ccc2n1CCC(C)=O ZINC000005606029 471512699 /nfs/dbraw/zinc/51/26/99/471512699.db2.gz XYWWFXVPFRGRRB-UHFFFAOYSA-N 0 0 335.385 2.995 40 5 EFBBRN C[C@@H](CCc1ccccc1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000005637405 471515244 /nfs/dbraw/zinc/51/52/44/471515244.db2.gz BLRIZZPSITXTCQ-LBPRGKRZSA-N 0 0 349.412 2.675 40 5 EFBBRN COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000005673618 471516649 /nfs/dbraw/zinc/51/66/49/471516649.db2.gz VXNIRYXTWSXYAE-LLVKDONJSA-N 0 0 344.323 2.787 40 5 EFBBRN Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000005970221 471528156 /nfs/dbraw/zinc/52/81/56/471528156.db2.gz MXSKEADLZKDWGL-ZDUSSCGKSA-N 0 0 329.356 2.724 40 5 EFBBRN Cc1cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000006287793 471537775 /nfs/dbraw/zinc/53/77/75/471537775.db2.gz KADUANHZAZGOIL-UHFFFAOYSA-N 0 0 349.293 2.550 40 5 EFBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccccc1F ZINC000006314219 471538910 /nfs/dbraw/zinc/53/89/10/471538910.db2.gz KFKBLHTZCKLFST-UHFFFAOYSA-N 0 0 338.360 2.863 40 5 EFBBRN C[C@H]1[C@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)CCC[C@@H]1C ZINC000006525604 471548119 /nfs/dbraw/zinc/54/81/19/471548119.db2.gz COOCAAQRPUONQQ-YWPYICTPSA-N 0 0 346.387 2.987 40 5 EFBBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000006645979 471555768 /nfs/dbraw/zinc/55/57/68/471555768.db2.gz MZBPJNFYKNIRIX-CYBMUJFWSA-N 0 0 339.351 2.895 40 5 EFBBRN O=[N+]([O-])c1cc(S(=O)(=O)NCc2cccs2)ccc1Cl ZINC000007213565 471598096 /nfs/dbraw/zinc/59/80/96/471598096.db2.gz ZVDLEIONWBNHOH-UHFFFAOYSA-N 0 0 332.790 2.788 40 5 EFBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000007504874 471619020 /nfs/dbraw/zinc/61/90/20/471619020.db2.gz LNECKHRYUPKMKA-UHFFFAOYSA-N 0 0 327.340 2.684 40 5 EFBBRN O=C(Cc1ccc2c(c1)OCCO2)OCc1ccc([N+](=O)[O-])cc1 ZINC000007556230 471621065 /nfs/dbraw/zinc/62/10/65/471621065.db2.gz PSEWISKFADMKHJ-UHFFFAOYSA-N 0 0 329.308 2.652 40 5 EFBBRN COc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1F ZINC000007599165 471623677 /nfs/dbraw/zinc/62/36/77/471623677.db2.gz ZEQDLAXFQSLULM-UHFFFAOYSA-N 0 0 348.286 2.538 40 5 EFBBRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000007881836 471645111 /nfs/dbraw/zinc/64/51/11/471645111.db2.gz DGTDURVBJSXYTP-ZDUSSCGKSA-N 0 0 339.351 2.895 40 5 EFBBRN CC(=O)c1ccc(N2CCN(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000008146995 471667283 /nfs/dbraw/zinc/66/72/83/471667283.db2.gz UWOXXXRKBHVLSK-UHFFFAOYSA-N 0 0 341.367 2.830 40 5 EFBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1F ZINC000008902342 471706216 /nfs/dbraw/zinc/70/62/16/471706216.db2.gz HHBIURNAVKCPGC-UHFFFAOYSA-N 0 0 345.330 2.823 40 5 EFBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000008902359 471706372 /nfs/dbraw/zinc/70/63/72/471706372.db2.gz ANRYSHLTTNIDPT-UHFFFAOYSA-N 0 0 345.330 2.823 40 5 EFBBRN Cc1ccc(C(=O)NC(=S)NNc2ccccc2)cc1[N+](=O)[O-] ZINC000009140664 471711427 /nfs/dbraw/zinc/71/14/27/471711427.db2.gz OIDTVSMVPSVJPJ-UHFFFAOYSA-N 0 0 330.369 2.535 40 5 EFBBRN Cc1cccc(CCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000010110765 471728844 /nfs/dbraw/zinc/72/88/44/471728844.db2.gz WDGXMIXUINUZFS-UHFFFAOYSA-N 0 0 334.397 2.814 40 5 EFBBRN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014220663 471863268 /nfs/dbraw/zinc/86/32/68/471863268.db2.gz PHFDGICFWJWRQK-LLVKDONJSA-N 0 0 336.369 2.643 40 5 EFBBRN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)nc1 ZINC000014815492 471879782 /nfs/dbraw/zinc/87/97/82/471879782.db2.gz IHYYLZMIJUXEPT-CYBMUJFWSA-N 0 0 342.403 2.692 40 5 EFBBRN COc1ccccc1OCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000015381308 471903465 /nfs/dbraw/zinc/90/34/65/471903465.db2.gz RXMNPYSKCXKCKA-UHFFFAOYSA-N 0 0 330.340 2.721 40 5 EFBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCC2=O)cc1 ZINC000017605306 471963226 /nfs/dbraw/zinc/96/32/26/471963226.db2.gz PKHFFHGPNKVAFR-UHFFFAOYSA-N 0 0 339.351 2.903 40 5 EFBBRN CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000019005881 471976290 /nfs/dbraw/zinc/97/62/90/471976290.db2.gz XZZWIKNNHNVZSC-UHFFFAOYSA-N 0 0 330.340 2.932 40 5 EFBBRN Cc1nc2cc3ccccc3cc2c(=O)n1CCCN1CCOCC1 ZINC000033909170 471987501 /nfs/dbraw/zinc/98/75/01/471987501.db2.gz FSBKCHRKAHPVKG-UHFFFAOYSA-N 0 0 337.423 2.580 40 5 EFBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2nsnc2c1 ZINC000021595457 472001931 /nfs/dbraw/zinc/00/19/31/472001931.db2.gz TWMKLMDGQHICIR-UHFFFAOYSA-N 0 0 330.325 2.860 40 5 EFBBRN COc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000039749735 472026034 /nfs/dbraw/zinc/02/60/34/472026034.db2.gz RQLWROGXRMUPIE-UHFFFAOYSA-N 0 0 340.295 2.906 40 5 EFBBRN COc1ccc(S(=O)(=O)Oc2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000024258948 472051438 /nfs/dbraw/zinc/05/14/38/472051438.db2.gz GPEPQHWQXCNMGF-UHFFFAOYSA-N 0 0 337.353 2.988 40 5 EFBBRN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000024394599 472054147 /nfs/dbraw/zinc/05/41/47/472054147.db2.gz VZCXJTOIEQWNNT-UHFFFAOYSA-N 0 0 340.339 2.705 40 5 EFBBRN Cc1c(C(=O)NCc2nc(-c3cccs3)no2)cccc1[N+](=O)[O-] ZINC000024577083 472059575 /nfs/dbraw/zinc/05/95/75/472059575.db2.gz WNPZZLLFKSMLMQ-UHFFFAOYSA-N 0 0 344.352 2.945 40 5 EFBBRN O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000024817263 472068690 /nfs/dbraw/zinc/06/86/90/472068690.db2.gz GHJAAUUIOQTRHC-AWEZNQCLSA-N 0 0 325.368 2.851 40 5 EFBBRN CC[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000024798805 472069048 /nfs/dbraw/zinc/06/90/48/472069048.db2.gz UFRPLMLZQYYTEO-LLVKDONJSA-N 0 0 325.796 2.943 40 5 EFBBRN COCCOc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000024936239 472072423 /nfs/dbraw/zinc/07/24/23/472072423.db2.gz UOTHSCUOPRODCT-UHFFFAOYSA-N 0 0 346.339 2.881 40 5 EFBBRN CC(=O)NCc1ccc(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000024973260 472074278 /nfs/dbraw/zinc/07/42/78/472074278.db2.gz LLNDYSVDOHUVAC-UHFFFAOYSA-N 0 0 348.380 2.863 40 5 EFBBRN COc1cccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000025017875 472078353 /nfs/dbraw/zinc/07/83/53/472078353.db2.gz AZBFNOYJTMNIKB-UHFFFAOYSA-N 0 0 329.308 2.952 40 5 EFBBRN CC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026830657 472150781 /nfs/dbraw/zinc/15/07/81/472150781.db2.gz OVPSWNNNVLUXMW-UHFFFAOYSA-N 0 0 348.380 2.618 40 5 EFBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCOc1ccc(F)cc1 ZINC000029293973 472265438 /nfs/dbraw/zinc/26/54/38/472265438.db2.gz YDLNVEMEZFGTPD-RUDMXATFSA-N 0 0 330.315 2.942 40 5 EFBBRN COC(=O)c1ccc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000030516832 472336253 /nfs/dbraw/zinc/33/62/53/472336253.db2.gz PRURVWMIBLQDRN-UHFFFAOYSA-N 0 0 342.351 2.583 40 5 EFBBRN C[NH+](C)Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000097103185 472447014 /nfs/dbraw/zinc/44/70/14/472447014.db2.gz LABWIVBVBMYONL-UHFFFAOYSA-N 0 0 341.414 2.519 40 5 EFBBRN COc1ccccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1F ZINC000032935897 472483210 /nfs/dbraw/zinc/48/32/10/472483210.db2.gz IYXYHHDOJGVALB-UHFFFAOYSA-N 0 0 327.289 2.510 40 5 EFBBRN O=C(N[C@H](CC1CCOCC1)c1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000097237442 472486427 /nfs/dbraw/zinc/48/64/27/472486427.db2.gz FUMQXFLFEZIMCK-CQSZACIVSA-N 0 0 344.371 2.606 40 5 EFBBRN Cc1cc(Br)c(NC(=O)N(C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000097372903 472493427 /nfs/dbraw/zinc/49/34/27/472493427.db2.gz WCECLGLGNCQUCH-MRVPVSSYSA-N 0 0 346.181 2.510 40 5 EFBBRN CCc1nc(Sc2c(Cl)cc(C(=O)OC)cc2[N+](=O)[O-])n[nH]1 ZINC000070462484 472498410 /nfs/dbraw/zinc/49/84/10/472498410.db2.gz UURGVZKAJSSAER-UHFFFAOYSA-N 0 0 342.764 2.867 40 5 EFBBRN CCN(CC)Cc1nnc2sc(-c3ccc(C)c([N+](=O)[O-])c3)nn12 ZINC000071260548 472546699 /nfs/dbraw/zinc/54/66/99/472546699.db2.gz ROGVMYGJJFXUMH-UHFFFAOYSA-N 0 0 346.416 2.911 40 5 EFBBRN Cn1cnnc1SCc1ccc([N+](=O)[O-])cc1Br ZINC000129908989 472571989 /nfs/dbraw/zinc/57/19/89/472571989.db2.gz OYIZFRAKJUDOMT-UHFFFAOYSA-N 0 0 329.179 2.778 40 5 EFBBRN COc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000059386043 472624972 /nfs/dbraw/zinc/62/49/72/472624972.db2.gz HTJIMFVQYFOCLS-UHFFFAOYSA-N 0 0 344.367 2.975 40 5 EFBBRN COc1nonc1OCCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000059384020 472625964 /nfs/dbraw/zinc/62/59/64/472625964.db2.gz ZPVHKCRYTLGZLR-UHFFFAOYSA-N 0 0 328.712 2.521 40 5 EFBBRN CCc1cccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000131182619 472653032 /nfs/dbraw/zinc/65/30/32/472653032.db2.gz UBDVVXDEEDPCOX-UHFFFAOYSA-N 0 0 345.330 2.665 40 5 EFBBRN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)OCO2 ZINC000047547358 472728768 /nfs/dbraw/zinc/72/87/68/472728768.db2.gz WLLDRKKYVQVBIH-UHFFFAOYSA-N 0 0 328.324 2.986 40 5 EFBBRN COc1ccccc1C(=O)N1CCN=Cc2cc([N+](=O)[O-])ccc21 ZINC000073642342 472845747 /nfs/dbraw/zinc/84/57/47/472845747.db2.gz TZHQUFPCGSTZBI-UHFFFAOYSA-N 0 0 325.324 2.683 40 5 EFBBRN Cc1ccc(OCC(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1 ZINC000073642432 472846211 /nfs/dbraw/zinc/84/62/11/472846211.db2.gz JKWQKEJSNJKPAQ-UHFFFAOYSA-N 0 0 339.351 2.748 40 5 EFBBRN O=C(Nc1nccs1)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000074314301 472984465 /nfs/dbraw/zinc/98/44/65/472984465.db2.gz JJLDHXOFPYPGRL-CYBMUJFWSA-N 0 0 332.385 2.654 40 5 EFBBRN O=[N+]([O-])c1ccc(Cl)cc1CN1CCS[C@H]2COCC[C@@H]21 ZINC000135523716 473087619 /nfs/dbraw/zinc/08/76/19/473087619.db2.gz XQBBZFKZMUSCNQ-KBPBESRZSA-N 0 0 328.821 2.955 40 5 EFBBRN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000074931607 473097771 /nfs/dbraw/zinc/09/77/71/473097771.db2.gz QADSQOYJUYZOIB-UHFFFAOYSA-N 0 0 347.396 2.996 40 5 EFBBRN O=[N+]([O-])c1cnn(C[C@@H](O)CSc2nc3ccccc3s2)c1 ZINC000096435700 473415554 /nfs/dbraw/zinc/41/55/54/473415554.db2.gz NIEGJEOPAVASDS-SNVBAGLBSA-N 0 0 336.398 2.554 40 5 EFBBRN O=C(NC[C@@H](O)C1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000096436636 473416042 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O=C(Cn1c(=O)oc2ccccc21)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000057507083 472446479 /nfs/dbraw/zinc/44/64/79/472446479.db2.gz LLLNQVBKAAFSHE-UHFFFAOYSA-N 0 0 347.714 2.795 40 5 EFBBRN CC(C)Cc1ncc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])s1 ZINC000097235048 472485674 /nfs/dbraw/zinc/48/56/74/472485674.db2.gz SUCPHTLMZOHHEJ-UHFFFAOYSA-N 0 0 334.401 2.762 40 5 EFBBRN C[C@H]1CN(C(=O)c2c[nH]c(-c3cccc([N+](=O)[O-])c3)n2)C(C)(C)CO1 ZINC000097373367 472492945 /nfs/dbraw/zinc/49/29/45/472492945.db2.gz QRWJFTUBBPNGGB-NSHDSACASA-N 0 0 344.371 2.624 40 5 EFBBRN CCN(CC)Cc1nnc2sc(-c3cccc([N+](=O)[O-])c3)nn12 ZINC000071260545 472545685 /nfs/dbraw/zinc/54/56/85/472545685.db2.gz QQZOESPMVPJIKS-UHFFFAOYSA-N 0 0 332.389 2.603 40 5 EFBBRN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)c1ccccc1Cl ZINC000077630243 472570806 /nfs/dbraw/zinc/57/08/06/472570806.db2.gz VAFSAMRXACDNLX-OAHLLOKOSA-N 0 0 334.759 2.641 40 5 EFBBRN CC1=NO[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)Nc1nccs1 ZINC000103664180 472642847 /nfs/dbraw/zinc/64/28/47/472642847.db2.gz PWACKZAUMYELON-NEPJUHHUSA-N 0 0 332.341 2.753 40 5 EFBBRN O=C(NCc1cscn1)c1cccc([N+](=O)[O-])c1Br ZINC000156228677 472679681 /nfs/dbraw/zinc/67/96/81/472679681.db2.gz OFBHGJPFMFQPAQ-UHFFFAOYSA-N 0 0 342.174 2.744 40 5 EFBBRN COC(=O)CN(Cc1ccccc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000047407182 472704107 /nfs/dbraw/zinc/70/41/07/472704107.db2.gz DWZJIYIGHHBALT-UHFFFAOYSA-N 0 0 342.351 2.719 40 5 EFBBRN COc1ccc(-c2nnc(COc3ccc([N+](=O)[O-])cc3)[nH]2)cc1 ZINC000062719649 472747205 /nfs/dbraw/zinc/74/72/05/472747205.db2.gz JIRCBDAFBPJISQ-UHFFFAOYSA-N 0 0 326.312 2.968 40 5 EFBBRN Nc1c(C(=O)Nc2ccc3c(c2)OCCCO3)cc(F)cc1[N+](=O)[O-] ZINC000048247465 472840416 /nfs/dbraw/zinc/84/04/16/472840416.db2.gz RELDBPPPVCJGFY-UHFFFAOYSA-N 0 0 347.302 2.730 40 5 EFBBRN Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2cc(C(C)(C)C)nn2C)c1 ZINC000048355146 472863451 /nfs/dbraw/zinc/86/34/51/472863451.db2.gz RSDHTQCGIZKLHD-UHFFFAOYSA-N 0 0 346.387 2.952 40 5 EFBBRN Cc1ccc(-c2nc(CNC(=O)c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000107825634 472984219 /nfs/dbraw/zinc/98/42/19/472984219.db2.gz COKSMKJTAUFNIN-UHFFFAOYSA-N 0 0 338.323 2.883 40 5 EFBBRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000108322711 473013359 /nfs/dbraw/zinc/01/33/59/473013359.db2.gz WOBHOUZCIXUNIJ-DCAQKATOSA-N 0 0 340.401 2.897 40 5 EFBBRN O=[N+]([O-])c1ccc(Cl)cc1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000135523740 473088051 /nfs/dbraw/zinc/08/80/51/473088051.db2.gz XQBBZFKZMUSCNQ-UONOGXRCSA-N 0 0 328.821 2.955 40 5 EFBBRN C[C@H](C[C@H](O)c1ccccc1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000095417779 473200806 /nfs/dbraw/zinc/20/08/06/473200806.db2.gz YLCIYFITNAFULF-DYVFJYSZSA-N 0 0 328.368 2.766 40 5 EFBBRN COc1cc(C(=O)N2CCC(n3ccnc3)CC2)cc([N+](=O)[O-])c1C ZINC000190792883 473395322 /nfs/dbraw/zinc/39/53/22/473395322.db2.gz VFAKXVPDYMOGCI-UHFFFAOYSA-N 0 0 344.371 2.586 40 5 EFBBRN COCc1ccc(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000096417191 473396618 /nfs/dbraw/zinc/39/66/18/473396618.db2.gz BLHIAWOLMOQKAM-UHFFFAOYSA-N 0 0 347.371 2.875 40 5 EFBBRN O=C(COc1cccnc1Cl)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000096418748 473398104 /nfs/dbraw/zinc/39/81/04/473398104.db2.gz NRQRERMRDPTWPS-UHFFFAOYSA-N 0 0 333.731 2.611 40 5 EFBBRN Cc1cccc([C@@H](C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000096422116 473400751 /nfs/dbraw/zinc/40/07/51/473400751.db2.gz YJAJASGMQYXQTE-ZDUSSCGKSA-N 0 0 341.367 2.762 40 5 EFBBRN CN(CC(F)(F)C(F)(F)F)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000096425120 473403627 /nfs/dbraw/zinc/40/36/27/473403627.db2.gz QIXJCHVVIFGTFR-UHFFFAOYSA-N 0 0 326.221 2.793 40 5 EFBBRN COc1ccc(C(=O)N(C)C)cc1NCc1csc([N+](=O)[O-])c1 ZINC000096427447 473407616 /nfs/dbraw/zinc/40/76/16/473407616.db2.gz PQKIYGOHBKECMI-UHFFFAOYSA-N 0 0 335.385 2.979 40 5 EFBBRN Cc1c(CNc2ccc(C(=O)N[C@H](C)CO)cc2)cccc1[N+](=O)[O-] ZINC000096427517 473407682 /nfs/dbraw/zinc/40/76/82/473407682.db2.gz CMCKWAUTALQHGJ-GFCCVEGCSA-N 0 0 343.383 2.626 40 5 EFBBRN Cc1n[nH]c(C(=O)N2CC[C@H](CSc3ccccc3)C2)c1[N+](=O)[O-] ZINC000096431839 473410292 /nfs/dbraw/zinc/41/02/92/473410292.db2.gz ZBCWZYBMDDLIHP-LBPRGKRZSA-N 0 0 346.412 2.881 40 5 EFBBRN O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000096431235 473410924 /nfs/dbraw/zinc/41/09/24/473410924.db2.gz PNCWMLHLWZDFKU-RNCFNFMXSA-N 0 0 346.305 2.895 40 5 EFBBRN C[C@@H](CCc1cccn1C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000096439526 473417247 /nfs/dbraw/zinc/41/72/47/473417247.db2.gz KZBQQTXYRQTIJZ-ZDUSSCGKSA-N 0 0 330.388 2.754 40 5 EFBBRN CO[C@H](C)c1nc(Cn2cc(Br)c([N+](=O)[O-])n2)cs1 ZINC000096447704 473425913 /nfs/dbraw/zinc/42/59/13/473425913.db2.gz OAOSQTFPHHYYHJ-ZCFIWIBFSA-N 0 0 347.194 2.766 40 5 EFBBRN Cc1ccc([C@H](C)NC(=O)NC[C@@](C)(O)c2ccco2)cc1[N+](=O)[O-] ZINC000096455211 473430587 /nfs/dbraw/zinc/43/05/87/473430587.db2.gz GELFLHRNEGUDST-YVEFUNNKSA-N 0 0 347.371 2.764 40 5 EFBBRN CS[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000096486717 473444203 /nfs/dbraw/zinc/44/42/03/473444203.db2.gz SWLKZJJQQGZQHO-NSHDSACASA-N 0 0 340.792 2.805 40 5 EFBBRN COc1cc(N2CC[C@H](Oc3ccncc3)C2)c(F)cc1[N+](=O)[O-] ZINC000096489939 473445597 /nfs/dbraw/zinc/44/55/97/473445597.db2.gz FSNNAAJUZPRSDV-LBPRGKRZSA-N 0 0 333.319 2.795 40 5 EFBBRN O=C(CSC[C@H]1CCCCO1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172423179 473606132 /nfs/dbraw/zinc/60/61/32/473606132.db2.gz KGTFFSGMZPUVRW-GFCCVEGCSA-N 0 0 336.413 2.786 40 5 EFBBRN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000192457206 473682346 /nfs/dbraw/zinc/68/23/46/473682346.db2.gz GDAKYCAPBVNTTP-AAEUAGOBSA-N 0 0 333.417 2.769 40 5 EFBBRN CCc1nccn1[C@@H]1CCCN(c2c([N+](=O)[O-])c(C)nn2CC)C1 ZINC000192573185 473693562 /nfs/dbraw/zinc/69/35/62/473693562.db2.gz ZMLLZRYSCIOJFZ-CYBMUJFWSA-N 0 0 332.408 2.720 40 5 EFBBRN O=[N+]([O-])c1cnc(N2CCN(c3nc4ccccc4s3)CC2)s1 ZINC000195508484 474084891 /nfs/dbraw/zinc/08/48/91/474084891.db2.gz NKWPDWCHGIIJNX-UHFFFAOYSA-N 0 0 347.425 2.988 40 5 EFBBRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000195529653 474088674 /nfs/dbraw/zinc/08/86/74/474088674.db2.gz SMHSUUHOBVLGSZ-INIZCTEOSA-N 0 0 347.802 2.777 40 5 EFBBRN COc1ccccc1[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224083043 474194022 /nfs/dbraw/zinc/19/40/22/474194022.db2.gz PXEHZSSXOWGIDW-LLVKDONJSA-N 0 0 336.369 2.643 40 5 EFBBRN Cc1cc(F)cc(C(=O)N2C[C@H](C)Oc3ncccc32)c1[N+](=O)[O-] ZINC000189073179 474281821 /nfs/dbraw/zinc/28/18/21/474281821.db2.gz LNCFXYFWGYAXSQ-JTQLQIEISA-N 0 0 331.303 2.865 40 5 EFBBRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000189695407 474465735 /nfs/dbraw/zinc/46/57/35/474465735.db2.gz LRYUDIRMRGOJSG-BZNIZROVSA-N 0 0 326.356 2.795 40 5 EFBBRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC2(CCCC2)O1 ZINC000190148708 474554532 /nfs/dbraw/zinc/55/45/32/474554532.db2.gz SXQRVEWIIKZMHF-UHFFFAOYSA-N 0 0 333.388 2.741 40 5 EFBBRN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000253370613 474727912 /nfs/dbraw/zinc/72/79/12/474727912.db2.gz TWDHPHVDAXLJIO-BLLLJJGKSA-N 0 0 344.371 2.665 40 5 EFBBRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H]1/C=C/c1cccs1 ZINC000253418834 474745838 /nfs/dbraw/zinc/74/58/38/474745838.db2.gz AMHZREZBENZSKN-FYJFLYSWSA-N 0 0 332.385 2.557 40 5 EFBBRN CC(C)(C)NC(=O)/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1 ZINC000408532790 476967070 /nfs/dbraw/zinc/96/70/70/476967070.db2.gz OYOXDTZYIGVVGZ-BQYQJAHWSA-N 0 0 326.356 2.980 40 5 EFBBRN Nn1c(Cc2ccccc2)nnc1SCc1cccc([N+](=O)[O-])c1 ZINC000409104860 476978769 /nfs/dbraw/zinc/97/87/69/476978769.db2.gz IXLLYZKHQRXLER-UHFFFAOYSA-N 0 0 341.396 2.783 40 5 EFBBRN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cccc([N+](=O)[O-])c1 ZINC000409177774 476979453 /nfs/dbraw/zinc/97/94/53/476979453.db2.gz ILTOEQVRHNRIQW-UHFFFAOYSA-N 0 0 334.313 2.629 40 5 EFBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1 ZINC000409231054 476981276 /nfs/dbraw/zinc/98/12/76/476981276.db2.gz BABKWAIVXFCYPY-MDWZMJQESA-N 0 0 327.296 2.589 40 5 EFBBRN C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000095437535 525082146 /nfs/dbraw/zinc/08/21/46/525082146.db2.gz UGBZPBJMWDDSBN-BLLLJJGKSA-N 0 0 341.367 2.959 40 5 EFBBRN O=C(COc1ccc([N+](=O)[O-])cc1)NCCc1ccc(Cl)cc1 ZINC000003515125 526969097 /nfs/dbraw/zinc/96/90/97/526969097.db2.gz MDEFDLXFJACFQK-UHFFFAOYSA-N 0 0 334.759 2.986 40 5 EFBBRN CCOc1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000132259498 528574390 /nfs/dbraw/zinc/57/43/90/528574390.db2.gz ZDWWRFZIZPEYND-UHFFFAOYSA-N 0 0 336.369 2.819 40 5 EFBBRN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000225457524 536144708 /nfs/dbraw/zinc/14/47/08/536144708.db2.gz VNNXYODJVGMEMW-ZDUSSCGKSA-N 0 0 349.391 2.520 40 5 EFBBRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)ccc1F ZINC000055555062 214329522 /nfs/dbraw/zinc/32/95/22/214329522.db2.gz LZJIMJGSMXQQKI-UHFFFAOYSA-N 0 0 344.295 2.682 40 5 EFBBRN CCc1nc(C)c(C(=O)NCCNc2ccccc2[N+](=O)[O-])s1 ZINC000050293860 529719345 /nfs/dbraw/zinc/71/93/45/529719345.db2.gz BOZFQZBEFZAHRV-UHFFFAOYSA-N 0 0 334.401 2.764 40 5 EFBBRN CCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000036394834 201783865 /nfs/dbraw/zinc/78/38/65/201783865.db2.gz CGKIPGJDQJFFOF-UHFFFAOYSA-N 0 0 347.396 2.644 40 5 EFBBRN COc1cccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1OC ZINC000040509279 213326564 /nfs/dbraw/zinc/32/65/64/213326564.db2.gz RVGIMUXOKJUUJV-UHFFFAOYSA-N 0 0 330.340 2.884 40 5 EFBBRN Cc1cc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000021526126 202066092 /nfs/dbraw/zinc/06/60/92/202066092.db2.gz ZRDRFTNIARXTSQ-ZIAGYGMSSA-N 0 0 349.431 2.521 40 5 EFBBRN Cc1csc2nc(COc3cc(C)ccc3[N+](=O)[O-])cc(=O)n12 ZINC000022118384 202080423 /nfs/dbraw/zinc/08/04/23/202080423.db2.gz GKJMOXSYTKSLGD-UHFFFAOYSA-N 0 0 331.353 2.860 40 5 EFBBRN Cc1csc2nc(COc3ccc([N+](=O)[O-])c(C)c3)cc(=O)n12 ZINC000022265767 202082093 /nfs/dbraw/zinc/08/20/93/202082093.db2.gz GFVUPZUCJFQCTN-UHFFFAOYSA-N 0 0 331.353 2.860 40 5 EFBBRN Cc1csc2nc(COc3ccc(C)cc3[N+](=O)[O-])cc(=O)n12 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Cc1noc(C)c1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000096416811 473396685 /nfs/dbraw/zinc/39/66/85/473396685.db2.gz NUSZXIUHPCPOMO-UHFFFAOYSA-N 0 0 332.360 2.740 40 5 EFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000096445864 473424005 /nfs/dbraw/zinc/42/40/05/473424005.db2.gz ZERJIJUDABQOHP-ZDUSSCGKSA-N 0 0 343.387 2.733 40 5 EFBBRN Cc1[nH]nc(-c2nc(-c3ccc(Br)o3)no2)c1[N+](=O)[O-] ZINC000096448196 473425974 /nfs/dbraw/zinc/42/59/74/473425974.db2.gz UOXMCBFSGUJQLU-UHFFFAOYSA-N 0 0 340.093 2.699 40 5 EFBBRN Cc1nccn1CCCNc1ncc([N+](=O)[O-])cc1Br ZINC000096452889 473428933 /nfs/dbraw/zinc/42/89/33/473428933.db2.gz SUSYCSMPXMFGHC-UHFFFAOYSA-N 0 0 340.181 2.759 40 5 EFBBRN COc1cc(N(C)Cc2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000096453898 473429662 /nfs/dbraw/zinc/42/96/62/473429662.db2.gz LOUZOCOYVCKPCV-QHCPKHFHSA-N 0 0 334.397 2.977 40 5 EFBBRN Cc1c(CC(=O)N2CCc3ccccc3[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000185700064 473492541 /nfs/dbraw/zinc/49/25/41/473492541.db2.gz UMXJXFDZTRDARP-SFHVURJKSA-N 0 0 340.379 2.564 40 5 EFBBRN CCOc1ccccc1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194652514 473932811 /nfs/dbraw/zinc/93/28/11/473932811.db2.gz QRHTVMCVOKETKY-UHFFFAOYSA-N 0 0 336.369 2.819 40 5 EFBBRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc([S@@](C)=O)cc1 ZINC000194812983 473958467 /nfs/dbraw/zinc/95/84/67/473958467.db2.gz FSEGOQLQMYYGAZ-HSZRJFAPSA-N 0 0 332.381 2.571 40 5 EFBBRN Cc1ccc(NC(=O)C2CCN(c3ncc([N+](=O)[O-])s3)CC2)nc1 ZINC000195509862 474084935 /nfs/dbraw/zinc/08/49/35/474084935.db2.gz CKELPSOTDGFBCH-UHFFFAOYSA-N 0 0 347.400 2.610 40 5 EFBBRN COc1cccc(OCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000223381861 474183414 /nfs/dbraw/zinc/18/34/14/474183414.db2.gz AMJJDUFSCWQOQY-UHFFFAOYSA-N 0 0 330.340 2.721 40 5 EFBBRN COc1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000223436715 474185746 /nfs/dbraw/zinc/18/57/46/474185746.db2.gz MOEPYVDYVGGCSK-UHFFFAOYSA-N 0 0 330.340 2.721 40 5 EFBBRN Cn1c(=O)sc2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc21 ZINC000225022809 474201857 /nfs/dbraw/zinc/20/18/57/474201857.db2.gz KQSMKRGKQVTLPQ-UHFFFAOYSA-N 0 0 343.364 2.689 40 5 EFBBRN O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1CCCCCF ZINC000225440295 474211643 /nfs/dbraw/zinc/21/16/43/474211643.db2.gz ZAGHTCJSJKXQNS-UHFFFAOYSA-N 0 0 345.334 2.630 40 5 EFBBRN Cc1ccnc(N2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000225562578 474226068 /nfs/dbraw/zinc/22/60/68/474226068.db2.gz HIYWFWAUPDUFQT-UHFFFAOYSA-N 0 0 340.383 2.569 40 5 EFBBRN Cc1cc(N[C@@H](C)C[S@](C)=O)c(Br)cc1[N+](=O)[O-] ZINC000225591592 474227432 /nfs/dbraw/zinc/22/74/32/474227432.db2.gz PJUPYJNJKLLCFG-ASCAZGACSA-N 0 0 335.223 2.845 40 5 EFBBRN Cc1cc(N[C@H](C)C[S@@](C)=O)c(Br)cc1[N+](=O)[O-] ZINC000225591622 474227587 /nfs/dbraw/zinc/22/75/87/474227587.db2.gz PJUPYJNJKLLCFG-NTCNTBNZSA-N 0 0 335.223 2.845 40 5 EFBBRN CC[C@H](C)Oc1cc(CNc2ccc3ncc([N+](=O)[O-])n3n2)ccn1 ZINC000225601169 474228831 /nfs/dbraw/zinc/22/88/31/474228831.db2.gz VTRIKLNKSXHDCM-NSHDSACASA-N 0 0 342.359 2.822 40 5 EFBBRN C[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])c1nnnn1C ZINC000189057682 474277717 /nfs/dbraw/zinc/27/77/17/474277717.db2.gz JMZNABVWOHOWAO-LURJTMIESA-N 0 0 344.194 2.734 40 5 EFBBRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245228416 474572632 /nfs/dbraw/zinc/57/26/32/474572632.db2.gz WOBHOUZCIXUNIJ-OUAUKWLOSA-N 0 0 340.401 2.897 40 5 EFBBRN COc1ccc([C@H](O)CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)cc1 ZINC000252482115 474667014 /nfs/dbraw/zinc/66/70/14/474667014.db2.gz CYPPAVQHCQOGNA-QGZVFWFLSA-N 0 0 330.340 2.952 40 5 EFBBRN Cc1cnc([C@@H](C)N2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)s1 ZINC000330032393 475188220 /nfs/dbraw/zinc/18/82/20/475188220.db2.gz MLTXOMCMYZNXCA-GFCCVEGCSA-N 0 0 347.444 2.825 40 5 EFBBRN Cn1ncc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000390833576 476805196 /nfs/dbraw/zinc/80/51/96/476805196.db2.gz JNZLIWJWQAFOGG-UHFFFAOYSA-N 0 0 336.351 2.925 40 5 EFBBRN CCN(CC)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000408718133 476972221 /nfs/dbraw/zinc/97/22/21/476972221.db2.gz LLQIVLHNUZVWMQ-UKTHLTGXSA-N 0 0 335.385 2.930 40 5 EFBBRN CCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccccc2[N+](=O)[O-])N1 ZINC000408738754 476972304 /nfs/dbraw/zinc/97/23/04/476972304.db2.gz NTGRHKICFQQTAZ-CYBMUJFWSA-N 0 0 345.277 2.848 40 5 EFBBRN Cc1c(C(=O)NC(=S)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000014257717 533773315 /nfs/dbraw/zinc/77/33/15/533773315.db2.gz PMWGAHRVCYMRQD-UHFFFAOYSA-N 0 0 329.381 2.708 40 5 EFBBRN COC(=O)c1ccc(Oc2ccc(C=O)cc2OC)c([N+](=O)[O-])c1 ZINC000059417936 534235933 /nfs/dbraw/zinc/23/59/33/534235933.db2.gz UHDBBCGTLOKDQQ-UHFFFAOYSA-N 0 0 331.280 2.995 40 5 EFBBRN C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000095437536 525217055 /nfs/dbraw/zinc/21/70/55/525217055.db2.gz UGBZPBJMWDDSBN-MLGOLLRUSA-N 0 0 341.367 2.959 40 5 EFBBRN COC(=O)c1cn(Cc2ccc(Cl)c(Cl)c2)nc1[N+](=O)[O-] ZINC000675031103 548196037 /nfs/dbraw/zinc/19/60/37/548196037.db2.gz FQSWDSWQPJMNDA-UHFFFAOYSA-N 0 0 330.127 2.933 40 5 EFBBRN COC(=O)c1cc([C@H](C(=O)OC)c2ccccc2)ccc1[N+](=O)[O-] ZINC000169800246 564101184 /nfs/dbraw/zinc/10/11/84/564101184.db2.gz MRUOISZSBFIJHI-OAHLLOKOSA-N 0 0 329.308 2.686 40 5 EFBBRN COC(=O)c1cc([C@@H](C(=O)OC)c2ccccc2)ccc1[N+](=O)[O-] ZINC000169800244 564101190 /nfs/dbraw/zinc/10/11/90/564101190.db2.gz MRUOISZSBFIJHI-HNNXBMFYSA-N 0 0 329.308 2.686 40 5 EFBBRN COc1cccc(CNc2nc3sccn3c2[N+](=O)[O-])c1OC ZINC000052471855 214129378 /nfs/dbraw/zinc/12/93/78/214129378.db2.gz VBVBFJGQFXBZBA-UHFFFAOYSA-N 0 0 334.357 2.933 40 5 EFBBRN Cc1noc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000054703837 214251744 /nfs/dbraw/zinc/25/17/44/214251744.db2.gz PSTGFOZULFLUKR-UHFFFAOYSA-N 0 0 330.344 2.614 40 5 EFBBRN Cc1noc([C@@H]2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])C2)n1 ZINC000054660768 214249091 /nfs/dbraw/zinc/24/90/91/214249091.db2.gz ROWMYOKPQLFRHH-GFCCVEGCSA-N 0 0 330.344 2.614 40 5 EFBBRN C[C@@H](Nc1cccc2c1OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000055156602 214280026 /nfs/dbraw/zinc/28/00/26/214280026.db2.gz LYHXSVQGNYOJKC-LLVKDONJSA-N 0 0 343.339 2.805 40 5 EFBBRN CCNc1cc(Cl)c(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000004302517 210163372 /nfs/dbraw/zinc/16/33/72/210163372.db2.gz JQUMTCGTIGZDMZ-UHFFFAOYSA-N 0 0 332.687 2.974 40 5 EFBBRN COc1cc(OCC(=O)NCc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000066019922 215002863 /nfs/dbraw/zinc/00/28/63/215002863.db2.gz XDZPLXGCSIXONG-UHFFFAOYSA-N 0 0 330.340 2.607 40 5 EFBBRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCCCCC1 ZINC000003566916 210057579 /nfs/dbraw/zinc/05/75/79/210057579.db2.gz YPFSDAJIFJHSFM-UHFFFAOYSA-N 0 0 347.415 2.944 40 5 EFBBRN O=C1C(=Cc2csc([N+](=O)[O-])c2)NC(=S)N1Cc1ccco1 ZINC000103582098 219314143 /nfs/dbraw/zinc/31/41/43/219314143.db2.gz DCJJFTLYZWDRJB-WMZJFQQLSA-N 0 0 335.366 2.507 40 5 EFBBRN C[C@@H]1CCC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000104262362 219367105 /nfs/dbraw/zinc/36/71/05/219367105.db2.gz BISFSMMUOBROKG-WWGRRREGSA-N 0 0 347.415 2.656 40 5 EFBBRN CCOC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OCc1ccccc1 ZINC000001657236 209776380 /nfs/dbraw/zinc/77/63/80/209776380.db2.gz KMERICAPUOMFLB-UHFFFAOYSA-N 0 0 344.323 2.675 40 5 EFBBRN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC000036613040 213101946 /nfs/dbraw/zinc/10/19/46/213101946.db2.gz FHFWBDSLWGAFQC-KCXAZCMYSA-N 0 0 346.383 2.722 40 5 EFBBRN O=[N+]([O-])c1cccc(-c2c[nH]c([C@H](O)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000072414118 216205258 /nfs/dbraw/zinc/20/52/58/216205258.db2.gz RGHWXTOIOWOTSL-OAHLLOKOSA-N 0 0 340.295 2.975 40 5 EFBBRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccnc(Cl)c3)C2)nc1 ZINC000072665052 216290213 /nfs/dbraw/zinc/29/02/13/216290213.db2.gz BYCARQNGDIKMPO-GFCCVEGCSA-N 0 0 333.779 2.725 40 5 EFBBRN COC(=O)C1(NC(=O)c2cccc([N+](=O)[O-])c2C)CCCCCC1 ZINC000023056393 212345173 /nfs/dbraw/zinc/34/51/73/212345173.db2.gz IHEOVVPUKZYWBJ-UHFFFAOYSA-N 0 0 334.372 2.899 40 5 EFBBRN C[C@@H](O)CN(C[C@H](C)O)c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 ZINC000022346180 212293485 /nfs/dbraw/zinc/29/34/85/212293485.db2.gz MTICILMIBQZPDG-BETUJISGSA-N 0 0 342.395 2.734 40 5 EFBBRN COc1cc(OCC(=O)Nc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000022259401 212286457 /nfs/dbraw/zinc/28/64/57/212286457.db2.gz LJHFAHHKKYGGND-UHFFFAOYSA-N 0 0 338.266 2.899 40 5 EFBBRN O=[N+]([O-])c1ccc(Sc2n[nH]c(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000216905131 241219431 /nfs/dbraw/zinc/21/94/31/241219431.db2.gz VFWXSCGJWUODBS-UHFFFAOYSA-N 0 0 335.223 2.791 40 5 EFBBRN CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225032157 241787910 /nfs/dbraw/zinc/78/79/10/241787910.db2.gz LSAQDYKMRRMQDS-UHFFFAOYSA-N 0 0 328.296 2.698 40 5 EFBBRN Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000225776083 242031036 /nfs/dbraw/zinc/03/10/36/242031036.db2.gz PQQRRPZFINUWOQ-LSDHHAIUSA-N 0 0 344.371 2.746 40 5 EFBBRN Cc1cc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000021526132 212229329 /nfs/dbraw/zinc/22/93/29/212229329.db2.gz ZRDRFTNIARXTSQ-KBPBESRZSA-N 0 0 349.431 2.521 40 5 EFBBRN Cc1c(F)cccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409200508 242562913 /nfs/dbraw/zinc/56/29/13/242562913.db2.gz MBEGHZOHLBHNLO-UHFFFAOYSA-N 0 0 332.287 2.838 40 5 EFBBRN CC(C)OC(=O)c1ccc(-n2cc(-n3cc([N+](=O)[O-])cn3)cn2)cc1 ZINC000020549836 212146764 /nfs/dbraw/zinc/14/67/64/212146764.db2.gz BLARSDYDYQPRQK-UHFFFAOYSA-N 0 0 341.327 2.531 40 5 EFBBRN Cc1ccc(CCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000020459945 212133467 /nfs/dbraw/zinc/13/34/67/212133467.db2.gz HZZRYYKTGMORQP-UHFFFAOYSA-N 0 0 348.424 2.955 40 5 EFBBRN Cc1ccc(CN(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000020451187 212129794 /nfs/dbraw/zinc/12/97/94/212129794.db2.gz WVFNDDVXYFMNRA-UHFFFAOYSA-N 0 0 334.397 2.865 40 5 EFBBRN O=[N+]([O-])c1cc(Cn2cc(I)cn2)cs1 ZINC000077962489 217006904 /nfs/dbraw/zinc/00/69/04/217006904.db2.gz KSFOKQWHXSFNDK-UHFFFAOYSA-N 0 0 335.126 2.506 40 5 EFBBRN Cc1cc(Nc2c([N+](=O)[O-])ncn2C)ccc1OC1CCOCC1 ZINC000078020502 217012677 /nfs/dbraw/zinc/01/26/77/217012677.db2.gz PLVNDHYOEMCLAC-UHFFFAOYSA-N 0 0 332.360 2.938 40 5 EFBBRN O=C(c1cncc(Br)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148649 217025492 /nfs/dbraw/zinc/02/54/92/217025492.db2.gz ORMSEUMIFJNJTL-UHFFFAOYSA-N 0 0 348.156 2.955 40 5 EFBBRN Nn1c(Sc2ccc(Cl)cc2[N+](=O)[O-])nnc1C(F)(F)F ZINC000078406468 217049408 /nfs/dbraw/zinc/04/94/08/217049408.db2.gz QVFRUNKNYSQTQS-UHFFFAOYSA-N 0 0 339.686 2.724 40 5 EFBBRN C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000078551805 217073481 /nfs/dbraw/zinc/07/34/81/217073481.db2.gz CGMBNAHZQKMSBQ-ZYHUDNBSSA-N 0 0 326.324 2.647 40 5 EFBBRN CC1CCC(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)CC1 ZINC000078581684 217080962 /nfs/dbraw/zinc/08/09/62/217080962.db2.gz VXUDOYOVCOTZNX-JVWICGRDSA-N 0 0 345.399 2.961 40 5 EFBBRN Cc1nn(C)c(NCCc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000078671413 217098870 /nfs/dbraw/zinc/09/88/70/217098870.db2.gz NQNFVYDHSASPTE-UHFFFAOYSA-N 0 0 335.311 2.767 40 5 EFBBRN O=[N+]([O-])C1C[C@H]1c1nc(-c2cccc(OCc3cccnc3)c2)no1 ZINC000078774630 217118516 /nfs/dbraw/zinc/11/85/16/217118516.db2.gz JCTYPJWRJAXVSJ-CABCVRRESA-N 0 0 338.323 2.843 40 5 EFBBRN O=[N+]([O-])c1ccc(Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000017066574 211947457 /nfs/dbraw/zinc/94/74/57/211947457.db2.gz CAYFQVWSMHAKAR-UHFFFAOYSA-N 0 0 325.280 2.964 40 5 EFBBRN COc1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000015615325 211835390 /nfs/dbraw/zinc/83/53/90/211835390.db2.gz OQFBRJFKAHEVSA-UHFFFAOYSA-N 0 0 330.340 2.721 40 5 EFBBRN C[C@@](O)(CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000080879188 217337047 /nfs/dbraw/zinc/33/70/47/217337047.db2.gz QNBJLQCKKKADOK-ROJDOSBLSA-N 0 0 332.381 2.693 40 5 EFBBRN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000014672702 211752072 /nfs/dbraw/zinc/75/20/72/211752072.db2.gz WZKMPEWVNBMPIB-UHFFFAOYSA-N 0 0 325.324 2.739 40 5 EFBBRN Cc1cnc(NCC2CCN(C(=O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000084928004 217652643 /nfs/dbraw/zinc/65/26/43/217652643.db2.gz WEAMJQVKBCYMKI-UHFFFAOYSA-N 0 0 346.309 2.511 40 5 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O=C(Cc1cccc(N2CCCC2=O)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000390835102 476806266 /nfs/dbraw/zinc/80/62/66/476806266.db2.gz COTWWCDXIFAURA-UHFFFAOYSA-N 0 0 339.351 2.903 40 5 EFBBRN CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000408600153 476967989 /nfs/dbraw/zinc/96/79/89/476967989.db2.gz VYDSHBPBJZIWDD-UHFFFAOYSA-N 0 0 344.323 2.824 40 5 EFBBRN NC(=O)COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000408559340 476968677 /nfs/dbraw/zinc/96/86/77/476968677.db2.gz VHARWDZRLKVEBU-UHFFFAOYSA-N 0 0 335.747 2.724 40 5 EFBBRN OCCNC(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408976469 476975638 /nfs/dbraw/zinc/97/56/38/476975638.db2.gz RKODTDASTCEBFQ-UHFFFAOYSA-N 0 0 337.408 2.543 40 5 EFBBRN CCOC(=O)C(=O)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000408975592 476975922 /nfs/dbraw/zinc/97/59/22/476975922.db2.gz NPSGGQCDUXOHGZ-UHFFFAOYSA-N 0 0 335.319 2.733 40 5 EFBBRN O=C1N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 ZINC000409011920 476976492 /nfs/dbraw/zinc/97/64/92/476976492.db2.gz 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CCN(c1ccncc1)S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000097097219 472445365 /nfs/dbraw/zinc/44/53/65/472445365.db2.gz TXGZINSVYIWXEA-UHFFFAOYSA-N 0 0 339.348 2.653 40 5 EFBBRN CCN1CCN(c2c(C)cc([N+](=O)[O-])cc2Br)CC1 ZINC000045886025 472480619 /nfs/dbraw/zinc/48/06/19/472480619.db2.gz SVUQFHYEUMNBTD-UHFFFAOYSA-N 0 0 328.210 2.808 40 5 EFBBRN CCCS(=O)(=O)Nc1ccc(Nc2ncccc2[N+](=O)[O-])cc1 ZINC000058159747 472509903 /nfs/dbraw/zinc/50/99/03/472509903.db2.gz BVKHCIRWZLZNGL-UHFFFAOYSA-N 0 0 336.373 2.885 40 5 EFBBRN Nc1ccccc1C(=O)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000071404362 472550769 /nfs/dbraw/zinc/55/07/69/472550769.db2.gz QDYDZNVIDLPUPZ-UHFFFAOYSA-N 0 0 330.300 2.770 40 5 biogenic,in-vitro EFBBRN COc1cccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000046644762 472581129 /nfs/dbraw/zinc/58/11/29/472581129.db2.gz SOAAHXLQTUGMHZ-UHFFFAOYSA-N 0 0 330.340 2.721 40 5 EFBBRN O=C(c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)N1CCOCC1 ZINC000059843407 472630426 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O=[N+]([O-])c1cc(S(=O)(=O)n2cnc3ccccc32)ccc1Cl ZINC000032603629 212814979 /nfs/dbraw/zinc/81/49/79/212814979.db2.gz WAGYWVLLMMTXQK-UHFFFAOYSA-N 0 0 337.744 2.835 40 5 EFBBRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000035714748 213048005 /nfs/dbraw/zinc/04/80/05/213048005.db2.gz VELPPHVHIQFEQU-BPLDGKMQSA-N 0 0 336.388 2.761 40 5 EFBBRN CN(c1ccc(F)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000107338241 219767788 /nfs/dbraw/zinc/76/77/88/219767788.db2.gz RKUYZXGILCIKLY-UHFFFAOYSA-N 0 0 328.296 2.698 40 5 EFBBRN O=[N+]([O-])c1ccc(-c2c[nH]c([C@H](O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000072414120 216205130 /nfs/dbraw/zinc/20/51/30/216205130.db2.gz CNEMVZGQFDIFGX-OAHLLOKOSA-N 0 0 340.295 2.975 40 5 EFBBRN CC[C@@](C)(NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nccs1 ZINC000072683491 216292635 /nfs/dbraw/zinc/29/26/35/216292635.db2.gz ZDYWPVNRYHGNLV-OAHLLOKOSA-N 0 0 334.401 2.565 40 5 EFBBRN CCOC[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000073043268 216342920 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COc1ccc(C)cc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000216312746 241183825 /nfs/dbraw/zinc/18/38/25/241183825.db2.gz HCLUWJBMAZHCNR-UHFFFAOYSA-N 0 0 336.369 2.854 40 5 EFBBRN Cc1c(C(N)=O)c2ccccc2n1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000216960530 241227449 /nfs/dbraw/zinc/22/74/49/241227449.db2.gz WNSQQRJEXBRNLN-UHFFFAOYSA-N 0 0 337.335 2.954 40 5 EFBBRN NC(=O)COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000408608997 242554707 /nfs/dbraw/zinc/55/47/07/242554707.db2.gz NJAPDXMJSINQOV-UHFFFAOYSA-N 0 0 335.747 2.724 40 5 EFBBRN CCN1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000021294961 212219654 /nfs/dbraw/zinc/21/96/54/212219654.db2.gz CLJULGPSALAIRO-UHFFFAOYSA-N 0 0 332.385 2.682 40 5 EFBBRN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(-n2ccnc2)cc1 ZINC000020108130 212101452 /nfs/dbraw/zinc/10/14/52/212101452.db2.gz WZRVQPYJNYFLJW-UHFFFAOYSA-N 0 0 336.351 2.639 40 5 EFBBRN CCn1c(C)nnc1SCC(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000020034206 212095175 /nfs/dbraw/zinc/09/51/75/212095175.db2.gz 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ZINC000078774680 217118652 /nfs/dbraw/zinc/11/86/52/217118652.db2.gz NKYVQSQOBHSGTQ-CABCVRRESA-N 0 0 339.355 2.731 40 5 EFBBRN C[C@H](C(=O)NCCc1cccs1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000079354077 217213785 /nfs/dbraw/zinc/21/37/85/217213785.db2.gz CHTMZEFKDBLOAV-CYBMUJFWSA-N 0 0 347.440 2.836 40 5 EFBBRN CN(Cc1cnn(C)c1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079513209 217237141 /nfs/dbraw/zinc/23/71/41/217237141.db2.gz RILUYQRRNPITAH-UHFFFAOYSA-N 0 0 342.277 2.619 40 5 EFBBRN CN(C)c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000011566414 211223957 /nfs/dbraw/zinc/22/39/57/211223957.db2.gz SMNNMCBDXALXPX-UHFFFAOYSA-N 0 0 328.324 2.701 40 5 EFBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000010314396 211163041 /nfs/dbraw/zinc/16/30/41/211163041.db2.gz ZVLYCLPVMKZIJT-UHFFFAOYSA-N 0 0 349.368 2.527 40 5 EFBBRN COc1cc(C(=O)Nc2ccc(C)cn2)c([N+](=O)[O-])c(OC)c1OC ZINC000009912414 211133365 /nfs/dbraw/zinc/13/33/65/211133365.db2.gz ZWKWDBHYALPQCY-UHFFFAOYSA-N 0 0 347.327 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277112171 /nfs/dbraw/zinc/11/21/71/277112171.db2.gz INKHPKVAWQQTQC-UHFFFAOYSA-N 0 0 334.601 2.763 40 5 EFBBRN O=[N+]([O-])c1ccc(N2N=N[C@@H]3CCCC[C@]32N2CCOCC2)cc1 ZINC000025501739 280368695 /nfs/dbraw/zinc/36/86/95/280368695.db2.gz ZKFWMZHPCNPJRF-HZPDHXFCSA-N 0 0 331.376 2.753 40 5 EFBBRN C[C@@]1(C(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2C(=O)O1 ZINC000004539892 289152174 /nfs/dbraw/zinc/15/21/74/289152174.db2.gz GGMBSYLROKYTFY-KRWDZBQOSA-N 0 0 326.308 2.705 40 5 EFBBRN COc1ccccc1[C@H](C)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000026334481 295398044 /nfs/dbraw/zinc/39/80/44/295398044.db2.gz AHBHMIBXDYWEEA-LBPRGKRZSA-N 0 0 343.383 2.895 40 5 EFBBRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]2C2CCC2)s1 ZINC000097370427 295555130 /nfs/dbraw/zinc/55/51/30/295555130.db2.gz POBGFVNFGYWOLI-JTQLQIEISA-N 0 0 330.431 2.829 40 5 EFBBRN O=C1CCCN1C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000078333758 304627380 /nfs/dbraw/zinc/62/73/80/304627380.db2.gz QMHOPUIPUUULLF-CQSZACIVSA-N 0 0 326.356 2.765 40 5 EFBBRN 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CC(=O)c1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000003383712 471443971 /nfs/dbraw/zinc/44/39/71/471443971.db2.gz IOMYLVBCTIBTIC-UHFFFAOYSA-N 0 0 342.307 2.593 40 5 EFBBRN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])NCc1ccccc1 ZINC000003485234 471448434 /nfs/dbraw/zinc/44/84/34/471448434.db2.gz JOWLTFIKOJXGIT-UHFFFAOYSA-N 0 0 348.742 2.721 40 5 EFBBRN COc1nonc1O[C@@H](C)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005354418 471500775 /nfs/dbraw/zinc/50/07/75/471500775.db2.gz HVBBTBJEKMORCX-ZETCQYMHSA-N 0 0 328.712 2.519 40 5 EFBBRN CCOC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000005458122 471507123 /nfs/dbraw/zinc/50/71/23/471507123.db2.gz BLVUAOMCFJENLA-UHFFFAOYSA-N 0 0 340.763 2.664 40 5 EFBBRN COc1ccc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000005672629 471515866 /nfs/dbraw/zinc/51/58/66/471515866.db2.gz PNLFIKYKSIWBDJ-UHFFFAOYSA-N 0 0 345.307 2.652 40 5 EFBBRN CC(C)NC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000005846117 471523451 /nfs/dbraw/zinc/52/34/51/471523451.db2.gz MSHOAGLTEBSBCD-UHFFFAOYSA-N 0 0 327.340 2.985 40 5 EFBBRN CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccnc2[N+](=O)[O-])c1 ZINC000005970773 471528551 /nfs/dbraw/zinc/52/85/51/471528551.db2.gz MUZZUVQBOTWDMR-NSHDSACASA-N 0 0 329.312 2.598 40 5 EFBBRN C[C@H]1[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCC[C@@H]1C ZINC000006435480 471545769 /nfs/dbraw/zinc/54/57/69/471545769.db2.gz BISFSMMUOBROKG-WOSRLPQWSA-N 0 0 347.415 2.656 40 5 EFBBRN COC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000007127498 471593288 /nfs/dbraw/zinc/59/32/88/471593288.db2.gz QZGGFJQGIFVALW-UHFFFAOYSA-N 0 0 348.286 2.538 40 5 EFBBRN COc1ccc(C(=O)Oc2c(OC)cccc2OC)cc1[N+](=O)[O-] ZINC000007309650 471604483 /nfs/dbraw/zinc/60/44/83/471604483.db2.gz DVMRDLGYUASLHO-UHFFFAOYSA-N 0 0 333.296 2.840 40 5 EFBBRN COc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000007360713 471607901 /nfs/dbraw/zinc/60/79/01/471607901.db2.gz SPJUYOICDSFKBA-UHFFFAOYSA-N 0 0 340.332 2.852 40 5 EFBBRN Cc1c(NC(=O)c2ccc(N3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000007504918 471618596 /nfs/dbraw/zinc/61/85/96/471618596.db2.gz PCIQFWIMQURALW-UHFFFAOYSA-N 0 0 341.367 2.992 40 5 EFBBRN O=C(OCC(=O)N1CC[C@H]2CCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000007885681 471644964 /nfs/dbraw/zinc/64/49/64/471644964.db2.gz LYSDFHPSHYXHFG-UKRRQHHQSA-N 0 0 346.383 2.790 40 5 EFBBRN Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007927944 471648218 /nfs/dbraw/zinc/64/82/18/471648218.db2.gz MTRUNKJXAYJRBT-ZDUSSCGKSA-N 0 0 339.351 2.895 40 5 EFBBRN CC(=O)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000008177722 471669456 /nfs/dbraw/zinc/66/94/56/471669456.db2.gz OZPXMEKHDIZJEY-UHFFFAOYSA-N 0 0 326.356 2.519 40 5 EFBBRN Cc1ccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000008368904 471684938 /nfs/dbraw/zinc/68/49/38/471684938.db2.gz VQSSCDUGQDMJET-UHFFFAOYSA-N 0 0 344.396 2.843 40 5 EFBBRN COc1ccccc1-c1noc(Cn2nc(C)c([N+](=O)[O-])c2C)n1 ZINC000008391120 471685281 /nfs/dbraw/zinc/68/52/81/471685281.db2.gz JYVQXRSUIPVZDL-UHFFFAOYSA-N 0 0 329.316 2.515 40 5 EFBBRN COc1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000008751712 471704153 /nfs/dbraw/zinc/70/41/53/471704153.db2.gz IVMBHEWRDYGHLB-UHFFFAOYSA-N 0 0 332.312 2.873 40 5 EFBBRN Cc1nc([N+](=O)[O-])c(Sc2nncc(-c3ccccc3)n2)n1C ZINC000013211845 471821001 /nfs/dbraw/zinc/82/10/01/471821001.db2.gz STFQHMUNJXJNGH-UHFFFAOYSA-N 0 0 328.357 2.640 40 5 EFBBRN C[C@]1(O)C[C@@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H](c2ccccc2N)O1 ZINC000013409753 471828692 /nfs/dbraw/zinc/82/86/92/471828692.db2.gz LKHOCMXAJQUWQO-DZOHQFGASA-N 0 0 328.368 2.868 40 5 EFBBRN COc1ccc(OC[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000013674234 471837105 /nfs/dbraw/zinc/83/71/05/471837105.db2.gz HOWSHSLYVIRPID-LBPRGKRZSA-N 0 0 330.340 2.801 40 5 EFBBRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1cccc(C(F)(F)F)c1 ZINC000014019319 471848500 /nfs/dbraw/zinc/84/85/00/471848500.db2.gz WAGARIHZMFDRTR-UHFFFAOYSA-N 0 0 326.230 2.658 40 5 EFBBRN COc1ccc(NC(C)=O)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000014023410 471849350 /nfs/dbraw/zinc/84/93/50/471849350.db2.gz IYXARBRPAWWDHC-UHFFFAOYSA-N 0 0 343.339 2.743 40 5 EFBBRN COc1ccccc1[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000016083755 471925687 /nfs/dbraw/zinc/92/56/87/471925687.db2.gz QTJAZFMKYXFFNG-NSHDSACASA-N 0 0 336.369 2.643 40 5 EFBBRN CCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc([N+](=O)[O-])cc2)N1 ZINC000016637530 471945614 /nfs/dbraw/zinc/94/56/14/471945614.db2.gz ONGRCSDJEORGTO-ZDUSSCGKSA-N 0 0 345.277 2.848 40 5 EFBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000021596234 472001954 /nfs/dbraw/zinc/00/19/54/472001954.db2.gz HVVRHVFVDGJLFG-UHFFFAOYSA-N 0 0 349.343 2.869 40 5 EFBBRN Cc1nn(C)c2ncc(C(=O)OCc3ccccc3[N+](=O)[O-])cc12 ZINC000024149060 472047930 /nfs/dbraw/zinc/04/79/30/472047930.db2.gz ONBWUCXGDIPYFN-UHFFFAOYSA-N 0 0 326.312 2.542 40 5 EFBBRN COc1cccc(CN(C)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000024520993 472057908 /nfs/dbraw/zinc/05/79/08/472057908.db2.gz DOZNVACFHJQQCG-UHFFFAOYSA-N 0 0 344.367 2.949 40 5 EFBBRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nnco2)c1 ZINC000024741737 472065960 /nfs/dbraw/zinc/06/59/60/472065960.db2.gz ZUHXABWQVCKXFN-UHFFFAOYSA-N 0 0 340.295 2.662 40 5 EFBBRN COc1cc(Cl)c(C)cc1NC(=O)CCn1cnc([N+](=O)[O-])c1 ZINC000024752284 472066572 /nfs/dbraw/zinc/06/65/72/472066572.db2.gz GIBOPWRZIXKUMI-UHFFFAOYSA-N 0 0 338.751 2.791 40 5 EFBBRN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccccc1[N+](=O)[O-] ZINC000025223378 472086018 /nfs/dbraw/zinc/08/60/18/472086018.db2.gz LDEDZZJMGGUGMM-UHFFFAOYSA-N 0 0 328.324 2.638 40 5 EFBBRN O=C(CCn1cnc([N+](=O)[O-])c1)N(Cc1ccccc1F)C1CC1 ZINC000025249229 472086872 /nfs/dbraw/zinc/08/68/72/472086872.db2.gz WFRPEQVTMVJOTF-UHFFFAOYSA-N 0 0 332.335 2.512 40 5 EFBBRN O=[N+]([O-])c1ccc(N2N=N[C@H]3CCCC[C@]32N2CCOCC2)cc1 ZINC000025501744 472099066 /nfs/dbraw/zinc/09/90/66/472099066.db2.gz ZKFWMZHPCNPJRF-JKSUJKDBSA-N 0 0 331.376 2.753 40 5 EFBBRN O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000043427354 472232326 /nfs/dbraw/zinc/23/23/26/472232326.db2.gz UDJCKALRMXKDIT-UHFFFAOYSA-N 0 0 334.200 2.986 40 5 EFBBRN CC(=O)c1cccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000030873325 472351135 /nfs/dbraw/zinc/35/11/35/472351135.db2.gz DAORAENQWICWJG-UHFFFAOYSA-N 0 0 334.353 2.739 40 5 EFBBRN CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)S(C)(=O)=O ZINC000097238671 472486199 /nfs/dbraw/zinc/48/61/99/472486199.db2.gz YPRFWKHTZKDTQC-UHFFFAOYSA-N 0 0 334.825 2.503 40 5 EFBBRN CCCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(CC)[nH]1 ZINC000070462425 472499067 /nfs/dbraw/zinc/49/90/67/472499067.db2.gz IPYMENPBJLMGNV-UHFFFAOYSA-N 0 0 336.373 2.993 40 5 EFBBRN CC[C@H]1CN(C(=O)c2c[nH]c(-c3cccc([N+](=O)[O-])c3)n2)CCS1 ZINC000155116490 472510816 /nfs/dbraw/zinc/51/08/16/472510816.db2.gz XIHAMRQITZBHSG-ZDUSSCGKSA-N 0 0 346.412 2.953 40 5 EFBBRN O=[N+]([O-])c1ccc(Sc2nnc(N3CCOCC3)s2)c(F)c1 ZINC000058440979 472570286 /nfs/dbraw/zinc/57/02/86/472570286.db2.gz OODLEYXGZSLXPJ-UHFFFAOYSA-N 0 0 342.377 2.573 40 5 EFBBRN COc1ccc(CCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000059386042 472625454 /nfs/dbraw/zinc/62/54/54/472625454.db2.gz LEDHOYNDSWSJIE-UHFFFAOYSA-N 0 0 344.367 2.975 40 5 EFBBRN CCCC(=O)Nc1cc(N2CCN(C)CC2)c([N+](=O)[O-])cc1Cl ZINC000072229032 472635579 /nfs/dbraw/zinc/63/55/79/472635579.db2.gz BWWLFNNOHGGFGJ-UHFFFAOYSA-N 0 0 340.811 2.739 40 5 EFBBRN Cn1cc([C@@](C)(O)CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn1 ZINC000125389756 473403773 /nfs/dbraw/zinc/40/37/73/473403773.db2.gz UNKGFAOVHYJYHG-ZDUSSCGKSA-N 0 0 345.186 2.955 40 5 EFBBRN COc1cccc([C@H](O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000096435840 473414933 /nfs/dbraw/zinc/41/49/33/473414933.db2.gz PEYJTCFRQSSOBZ-MRXNPFEDSA-N 0 0 340.339 2.596 40 5 EFBBRN C[C@H](CCc1cccn1C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000096439527 473417362 /nfs/dbraw/zinc/41/73/62/473417362.db2.gz KZBQQTXYRQTIJZ-CYBMUJFWSA-N 0 0 330.388 2.754 40 5 EFBBRN Cc1[nH]nc(C(=O)N2CCN(CC3CC3)c3ccccc32)c1[N+](=O)[O-] ZINC000096443955 473421439 /nfs/dbraw/zinc/42/14/39/473421439.db2.gz DRLDMSKDDHMQRP-UHFFFAOYSA-N 0 0 341.371 2.503 40 5 EFBBRN Cc1ccc([C@H](C)NC(=O)NC[C@](C)(O)c2ccco2)cc1[N+](=O)[O-] ZINC000096455209 473430535 /nfs/dbraw/zinc/43/05/35/473430535.db2.gz GELFLHRNEGUDST-SJCJKPOMSA-N 0 0 347.371 2.764 40 5 EFBBRN CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000096467993 473436109 /nfs/dbraw/zinc/43/61/09/473436109.db2.gz PFIQEMPWDZKRTO-GFCCVEGCSA-N 0 0 347.346 2.505 40 5 EFBBRN CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000185767267 473508495 /nfs/dbraw/zinc/50/84/95/473508495.db2.gz YBRLIUMDXIJIFF-LBPRGKRZSA-N 0 0 341.414 2.789 40 5 EFBBRN COc1cccc(C(=O)N[C@H](C)CNc2ccccc2)c1[N+](=O)[O-] ZINC000193267790 473778439 /nfs/dbraw/zinc/77/84/39/473778439.db2.gz RTHFIBKUWWZGSN-GFCCVEGCSA-N 0 0 329.356 2.834 40 5 EFBBRN Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)on1 ZINC000194107261 473843750 /nfs/dbraw/zinc/84/37/50/473843750.db2.gz UCWXMHROZWVXIK-UHFFFAOYSA-N 0 0 345.233 2.928 40 5 EFBBRN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 ZINC000180509368 473894503 /nfs/dbraw/zinc/89/45/03/473894503.db2.gz ZVWLVVNSKJGRJD-SECBINFHSA-N 0 0 338.751 2.961 40 5 EFBBRN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1 ZINC000180509387 473894966 /nfs/dbraw/zinc/89/49/66/473894966.db2.gz ZVWLVVNSKJGRJD-VIFPVBQESA-N 0 0 338.751 2.961 40 5 EFBBRN CCOc1ccccc1CN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180951979 473992505 /nfs/dbraw/zinc/99/25/05/473992505.db2.gz WAQBWFJEQVGNFV-UHFFFAOYSA-N 0 0 329.356 2.848 40 5 EFBBRN COc1ccc([C@@H](Nc2ncc([N+](=O)[O-])s2)c2nccn2C)cc1 ZINC000195506871 474084946 /nfs/dbraw/zinc/08/49/46/474084946.db2.gz XADSNKQLTCOUDL-CYBMUJFWSA-N 0 0 345.384 2.995 40 5 EFBBRN COc1ccc([C@H](Nc2ncc([N+](=O)[O-])s2)c2nccn2C)cc1 ZINC000195506873 474085656 /nfs/dbraw/zinc/08/56/56/474085656.db2.gz XADSNKQLTCOUDL-ZDUSSCGKSA-N 0 0 345.384 2.995 40 5 EFBBRN Cc1nc(COc2cc(F)c(Br)cc2[N+](=O)[O-])no1 ZINC000188638626 474149398 /nfs/dbraw/zinc/14/93/98/474149398.db2.gz JHJLLFJZOVDHRD-UHFFFAOYSA-N 0 0 332.085 2.767 40 5 EFBBRN CCc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC ZINC000223681875 474187879 /nfs/dbraw/zinc/18/78/79/474187879.db2.gz IUZSHAUMASFRIW-UHFFFAOYSA-N 0 0 336.369 2.967 40 5 EFBBRN COc1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224769848 474199865 /nfs/dbraw/zinc/19/98/65/474199865.db2.gz YFTMNHXXVDFASU-UHFFFAOYSA-N 0 0 336.369 2.737 40 5 EFBBRN CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224863303 474200836 /nfs/dbraw/zinc/20/08/36/474200836.db2.gz QUGGHTUKGQXYAK-UHFFFAOYSA-N 0 0 336.369 2.819 40 5 EFBBRN CCOc1ccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000224999575 474201209 /nfs/dbraw/zinc/20/12/09/474201209.db2.gz QVZWEXRCKLSTMC-UHFFFAOYSA-N 0 0 336.369 2.819 40 5 EFBBRN C[C@@]1(c2ccc(F)cc2)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1 ZINC000225347164 474206781 /nfs/dbraw/zinc/20/67/81/474206781.db2.gz LCPXNJMBWILXPT-OAHLLOKOSA-N 0 0 332.360 2.806 40 5 EFBBRN CCn1nc(C)c([N+](=O)[O-])c1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000225457659 474213245 /nfs/dbraw/zinc/21/32/45/474213245.db2.gz GFSDJHPZTASODB-UHFFFAOYSA-N 0 0 346.391 2.764 40 5 EFBBRN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000189773800 474480445 /nfs/dbraw/zinc/48/04/45/474480445.db2.gz PWQMYUSQNLRHOR-GUYCJALGSA-N 0 0 341.367 2.827 40 5 EFBBRN Cc1cc([N+](=O)[O-])nn1C[C@@H](O)c1cccc(Br)c1 ZINC000184769014 474603727 /nfs/dbraw/zinc/60/37/27/474603727.db2.gz NVTAWQGVNQKUSW-LLVKDONJSA-N 0 0 326.150 2.596 40 5 EFBBRN COc1ccc2c(c1)N1C(=O)C[C@@]34C=CC[N@@+]5([O-])CC[C@H]2[C@H](CC3)[C@@]145 ZINC000252581844 474697915 /nfs/dbraw/zinc/69/79/15/474697915.db2.gz PARYYOVLIFKGOF-RPOJGZRZSA-N 0 0 338.407 2.910 40 5 biogenic,in-vitro EFBBRN O=[N+]([O-])c1ccccc1CN1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000267955701 474723933 /nfs/dbraw/zinc/72/39/33/474723933.db2.gz SGJTXOGJJZYWCH-HOCLYGCPSA-N 0 0 348.424 2.981 40 5 EFBBRN Cc1cc(=O)n(C[C@H](O)Cc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000390833224 476803065 /nfs/dbraw/zinc/80/30/65/476803065.db2.gz DWLZNHGJKNNLTL-QGZVFWFLSA-N 0 0 338.363 2.822 40 5 EFBBRN CCCCNC(=O)/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1 ZINC000408530809 476966996 /nfs/dbraw/zinc/96/69/96/476966996.db2.gz KJRNURZTPXFWBV-BQYQJAHWSA-N 0 0 326.356 2.981 40 5 EFBBRN O=C(Nc1ccccc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408642609 476969162 /nfs/dbraw/zinc/96/91/62/476969162.db2.gz PDROOTAHHJOKPS-GFCCVEGCSA-N 0 0 325.324 2.586 40 5 EFBBRN O=[N+]([O-])c1ccc(Sc2ncn(-c3ccccc3)n2)c2nonc21 ZINC000408602554 476969365 /nfs/dbraw/zinc/96/93/65/476969365.db2.gz COGSBYSSUDCFLI-UHFFFAOYSA-N 0 0 340.324 2.863 40 5 EFBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000409221984 476979436 /nfs/dbraw/zinc/97/94/36/476979436.db2.gz AKYRKLJUJXFGAG-XNTDXEJSSA-N 0 0 337.335 2.996 40 5 EFBBRN CCc1cccc(NC(=O)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000126000556 521751417 /nfs/dbraw/zinc/75/14/17/521751417.db2.gz XHISAGHWKCZCRD-UHFFFAOYSA-N 0 0 345.330 2.665 40 5 EFBBRN CC(=O)c1cc(NC[C@H](O)COc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000225818279 534822544 /nfs/dbraw/zinc/82/25/44/534822544.db2.gz MDVAGUQSOYZGHJ-AWEZNQCLSA-N 0 0 348.330 2.788 40 5 EFBBRN CCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])c(OC)cc2OC)C1=O ZINC000409068746 535436076 /nfs/dbraw/zinc/43/60/76/535436076.db2.gz VBEFFLVWRMAMOF-WUXMJOGZSA-N 0 0 338.341 2.668 40 5 EFBBRN COC(=O)c1ccc(Sc2n[nH]c(C(F)F)n2)c([N+](=O)[O-])c1 ZINC000216904221 536804237 /nfs/dbraw/zinc/80/42/37/536804237.db2.gz ZTMMBFHOJNGYQE-UHFFFAOYSA-N 0 0 330.272 2.588 40 5 EFBBRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccccc1N(C)C ZINC000193485510 536954997 /nfs/dbraw/zinc/95/49/97/536954997.db2.gz YIJMNPLILUTDBR-UHFFFAOYSA-N 0 0 344.371 2.991 40 5 EFBBRN CS(=O)(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000095116698 1107712909 /nfs/dbraw/zinc/71/29/09/1107712909.db2.gz NGRKCZFZENPZGG-MRXNPFEDSA-N 0 0 345.380 2.706 40 5 EFBBRN COC(=O)c1ccc([N+](=O)[O-])c(OCCOc2ccccc2OC)c1 ZINC000053830881 214201032 /nfs/dbraw/zinc/20/10/32/214201032.db2.gz MSYVGBKULYIZIU-UHFFFAOYSA-N 0 0 347.323 2.848 40 5 EFBBRN Cc1nc2n(n1)C[C@H](Nc1cc(C)nc3c1cccc3[N+](=O)[O-])CC2 ZINC000095463609 282128715 /nfs/dbraw/zinc/12/87/15/282128715.db2.gz DYEHAKRNNSUWIQ-GFCCVEGCSA-N 0 0 338.371 2.778 40 5 EFBBRN COc1cccc(-c2n[nH]c(COc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000062719646 214730357 /nfs/dbraw/zinc/73/03/57/214730357.db2.gz WBICEQZDHVTDPS-UHFFFAOYSA-N 0 0 326.312 2.968 40 5 EFBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100036147 219089373 /nfs/dbraw/zinc/08/93/73/219089373.db2.gz AJDVUXHVPMKDRJ-UHFFFAOYSA-N 0 0 332.228 2.664 40 5 EFBBRN Cn1c(=O)c2c(nc1SCc1cccc([N+](=O)[O-])c1)CCS2 ZINC000004339316 210175115 /nfs/dbraw/zinc/17/51/15/210175115.db2.gz OWLJQYGDPOUELR-UHFFFAOYSA-N 0 0 335.410 2.629 40 5 EFBBRN CN(CCc1cccs1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000173875553 529936713 /nfs/dbraw/zinc/93/67/13/529936713.db2.gz JFIDOCSGIQQHEF-UHFFFAOYSA-N 0 0 340.426 2.661 40 5 EFBBRN Cc1ccc(S(=O)(=O)n2cc(C=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000004299113 210163912 /nfs/dbraw/zinc/16/39/12/210163912.db2.gz XEGQDVDILIAHQA-UHFFFAOYSA-N 0 0 344.348 2.907 40 5 EFBBRN O=C([O-])[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004203370 210145938 /nfs/dbraw/zinc/14/59/38/210145938.db2.gz ZDZWKJQDJXYMGU-DLBZAZTESA-N 0 0 326.352 2.895 40 5 EFBBRN CN(CCCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000048012784 213881527 /nfs/dbraw/zinc/88/15/27/213881527.db2.gz HHODBFCQUHWDJQ-UHFFFAOYSA-N 0 0 337.376 2.582 40 5 EFBBRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCOC2(CCCC2)C1 ZINC000178430667 232164730 /nfs/dbraw/zinc/16/47/30/232164730.db2.gz UFIIEWNDGQJVKY-CQSZACIVSA-N 0 0 333.388 2.886 40 5 EFBBRN COc1ccc2oc(=O)c(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000004094415 210118415 /nfs/dbraw/zinc/11/84/15/210118415.db2.gz QBAHBWVWNNBJHI-UHFFFAOYSA-N 0 0 340.291 2.962 40 5 EFBBRN C[C@@]1(O)C[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H](c2ccccc2N)O1 ZINC000003850845 210080326 /nfs/dbraw/zinc/08/03/26/210080326.db2.gz LKHOCMXAJQUWQO-OWLYRPNTSA-N 0 0 328.368 2.868 40 5 EFBBRN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc2c(c1)OCO2 ZINC000103369770 219294273 /nfs/dbraw/zinc/29/42/73/219294273.db2.gz GAEGSIBZVNWECD-MLPAPPSSSA-N 0 0 338.275 2.668 40 5 EFBBRN CCOC(=O)C(=O)Cc1cc(Br)c(OC)cc1[N+](=O)[O-] ZINC000104130969 219349150 /nfs/dbraw/zinc/34/91/50/219349150.db2.gz OTMRUOWCZFAQJW-BJMVGYQFSA-N 0 0 346.133 2.828 40 5 EFBBRN COc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000001657066 209775754 /nfs/dbraw/zinc/77/57/54/209775754.db2.gz CVOGZYXVSLFKCR-UHFFFAOYSA-N 0 0 336.369 2.737 40 5 EFBBRN CCc1nc(Sc2ccc(C(=O)OC(C)C)cc2[N+](=O)[O-])n[nH]1 ZINC000070462362 215697527 /nfs/dbraw/zinc/69/75/27/215697527.db2.gz QWCOGVJBGONRMS-UHFFFAOYSA-N 0 0 336.373 2.992 40 5 EFBBRN O=C(NC[C@H]1COc2ccccc2O1)Nc1cccc([N+](=O)[O-])c1 ZINC000032751215 212834346 /nfs/dbraw/zinc/83/43/46/212834346.db2.gz BPJVOHBRUKUWLA-ZDUSSCGKSA-N 0 0 329.312 2.556 40 5 EFBBRN COC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000072232899 216074343 /nfs/dbraw/zinc/07/43/43/216074343.db2.gz CCBUXFPOABQLFL-UHFFFAOYSA-N 0 0 331.280 2.960 40 5 EFBBRN COCCOc1ccc(CNC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000031097675 212722549 /nfs/dbraw/zinc/72/25/49/212722549.db2.gz DHJJZOXZDAPXKA-UHFFFAOYSA-N 0 0 345.355 2.942 40 5 EFBBRN Cc1nn(C)c2nc(C)cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c12 ZINC000030751028 212708267 /nfs/dbraw/zinc/70/82/67/212708267.db2.gz LTTWKUFJZZSCFM-UHFFFAOYSA-N 0 0 340.339 2.850 40 5 EFBBRN CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000329251 209538309 /nfs/dbraw/zinc/53/83/09/209538309.db2.gz SNJLSSKEIQZQOE-JTQLQIEISA-N 0 0 349.416 2.942 40 5 EFBBRN CCOC(=O)c1nnn(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000000052074 209391612 /nfs/dbraw/zinc/39/16/12/209391612.db2.gz UJNZZKDTIDMGJP-UHFFFAOYSA-N 0 0 344.249 2.679 40 5 EFBBRN Cc1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1[N+](=O)[O-] ZINC000024577092 212426783 /nfs/dbraw/zinc/42/67/83/212426783.db2.gz YLTYFIUKGAAWOJ-UHFFFAOYSA-N 0 0 344.352 2.945 40 5 EFBBRN Cc1ccc(OCCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000023291570 212365872 /nfs/dbraw/zinc/36/58/72/212365872.db2.gz RJLVOWPQHGZARA-UHFFFAOYSA-N 0 0 345.307 2.868 40 5 EFBBRN CC(=O)c1cc(N2CCN(c3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000252497660 240307098 /nfs/dbraw/zinc/30/70/98/240307098.db2.gz QMGROMMEGNNEST-UHFFFAOYSA-N 0 0 341.367 2.830 40 5 EFBBRN COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000022259355 212286459 /nfs/dbraw/zinc/28/64/59/212286459.db2.gz RMQKFXRHQDIKMT-UHFFFAOYSA-N 0 0 332.312 2.630 40 5 EFBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(F)cc2F)c1 ZINC000216244676 241176711 /nfs/dbraw/zinc/17/67/11/241176711.db2.gz NIYUQNPKDVRCLC-UHFFFAOYSA-N 0 0 328.296 2.815 40 5 EFBBRN CCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1n[nH]c(C(F)F)n1 ZINC000216904823 241219189 /nfs/dbraw/zinc/21/91/89/241219189.db2.gz HGNOZVKFCATIJZ-UHFFFAOYSA-N 0 0 344.299 2.978 40 5 EFBBRN COc1ccc(C(=O)n2cc(CO)c3ccccc32)cc1[N+](=O)[O-] ZINC000216959389 241226723 /nfs/dbraw/zinc/22/67/23/241226723.db2.gz 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