smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NCc1ccc([O-])c(F)c1 ZINC001343185629 870276709 /nfs/dbraw/zinc/27/67/09/870276709.db2.gz QZRAGYIDIJEIAT-UHFFFAOYSA-N -1 3 351.294 0.069 20 5 FCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCN(CC(=O)[O-])CC1 ZINC001332256619 873424183 /nfs/dbraw/zinc/42/41/83/873424183.db2.gz TXYBOBMKRIXCNH-UHFFFAOYSA-N -1 3 373.387 0.431 20 5 FCBDHM O=[N+]([O-])c1cnn(CCN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1 ZINC000823651691 946461994 /nfs/dbraw/zinc/46/19/94/946461994.db2.gz NPDYOCHVMXKTIX-UHFFFAOYSA-N -1 3 370.377 0.189 20 5 FCBDHM O=[N+]([O-])c1cnn(CCN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1 ZINC000823651691 946462000 /nfs/dbraw/zinc/46/20/00/946462000.db2.gz NPDYOCHVMXKTIX-UHFFFAOYSA-N -1 3 370.377 0.189 20 5 FCBDHM O=C([O-])[C@]1(N2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)CCOC1 ZINC001348423287 962437998 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212270620 /nfs/dbraw/zinc/27/06/20/212270620.db2.gz HUTXCXFYGBNZJM-VIFPVBQESA-N -1 3 373.387 0.511 20 5 FCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C[S@](C)=O ZINC000276391914 212224786 /nfs/dbraw/zinc/22/47/86/212224786.db2.gz RLSRSRLRZHXGEH-PJLCYMMNSA-N -1 3 364.401 0.427 20 5 FCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C(=O)OC)CCC1 ZINC000276331870 212213818 /nfs/dbraw/zinc/21/38/18/212213818.db2.gz ISIKWWFPNALWDR-UHFFFAOYSA-N -1 3 372.355 0.755 20 5 FCBDHM COC(=O)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@H](C)O ZINC000275707946 212076590 /nfs/dbraw/zinc/07/65/90/212076590.db2.gz GOOHTJLDIZXBNT-WRWORJQWSA-N -1 3 366.779 0.757 20 5 FCBDHM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000275415744 212022678 /nfs/dbraw/zinc/02/26/78/212022678.db2.gz PUCBFGGYYPNVQN-STQMWFEESA-N -1 3 358.372 0.804 20 5 FCBDHM C[C@@H]1[C@H](C)NCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423606490 247073112 /nfs/dbraw/zinc/07/31/12/247073112.db2.gz 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O=C(CN1CCCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436968196 248055240 /nfs/dbraw/zinc/05/52/40/248055240.db2.gz SYBLAOHFQJYPRJ-UHFFFAOYSA-N -1 3 362.386 0.681 20 5 FCBDHM NC(=O)[N-]C(=O)OCCCn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000271156988 211348225 /nfs/dbraw/zinc/34/82/25/211348225.db2.gz ICBVACWIRLHGNB-UHFFFAOYSA-N -1 3 363.124 0.714 20 5 FCBDHM COC[C@@H](CCO)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000270360618 211190887 /nfs/dbraw/zinc/19/08/87/211190887.db2.gz GOOGGIMAABPDBK-SECBINFHSA-N -1 3 362.360 0.042 20 5 FCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CO)c1cnn(C)c1 ZINC000270174240 211161562 /nfs/dbraw/zinc/16/15/62/211161562.db2.gz IDQXOZCBTLDHOE-NSHDSACASA-N -1 3 356.360 0.349 20 5 FCBDHM C[C@H]1C[C@@H](O)CN1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000472079860 250129900 /nfs/dbraw/zinc/12/99/00/250129900.db2.gz XIWGRSBSONZHTA-WDEREUQCSA-N -1 3 372.403 0.038 20 5 FCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1nnnn1CC1CC1 ZINC000472694478 250173660 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0.112 20 5 FCBDHM C[C@]1(c2ccc(C(=O)NCCn3cc([N+](=O)[O-])cn3)cc2)NC(=O)[N-]C1=O ZINC000269140214 210917238 /nfs/dbraw/zinc/91/72/38/210917238.db2.gz LSTBBOAHKPJPID-MRXNPFEDSA-N -1 3 372.341 0.276 20 5 FCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CC3)cc1C ZINC000179056763 209071846 /nfs/dbraw/zinc/07/18/46/209071846.db2.gz SFGVCBPOCNTVDG-CYBMUJFWSA-N -1 3 354.432 0.490 20 5 FCBDHM Cc1[nH]ccc1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000176611391 533645646 /nfs/dbraw/zinc/64/56/46/533645646.db2.gz YEMYOXSAVPHKOC-UHFFFAOYSA-N -1 3 352.372 0.940 20 5 FCBDHM NC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000287410107 488867191 /nfs/dbraw/zinc/86/71/91/488867191.db2.gz LKQKTZLJYXKZIO-VIFPVBQESA-N -1 3 360.367 0.803 20 5 FCBDHM CO[C@@H](C)CN(C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000287526495 488878208 /nfs/dbraw/zinc/87/82/08/488878208.db2.gz JCSLTMJJAHAIOB-NSHDSACASA-N -1 3 374.419 0.549 20 5 FCBDHM 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O=C(Cn1cccc([N+](=O)[O-])c1=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737989184 598316305 /nfs/dbraw/zinc/31/63/05/598316305.db2.gz UCGIAIUVPGHQQG-UHFFFAOYSA-N -1 3 355.314 0.253 20 5 FCBDHM O=C(Cn1cccc([N+](=O)[O-])c1=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737989184 598316307 /nfs/dbraw/zinc/31/63/07/598316307.db2.gz UCGIAIUVPGHQQG-UHFFFAOYSA-N -1 3 355.314 0.253 20 5 FCBDHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)Nc1ccccc1[N+](=O)[O-] ZINC000737908962 598481117 /nfs/dbraw/zinc/48/11/17/598481117.db2.gz NGFGFMQBISVKAX-UHFFFAOYSA-N -1 3 369.297 0.965 20 5 FCBDHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)Nc1ccccc1[N+](=O)[O-] ZINC000737908962 598481119 /nfs/dbraw/zinc/48/11/19/598481119.db2.gz NGFGFMQBISVKAX-UHFFFAOYSA-N -1 3 369.297 0.965 20 5 FCBDHM CC(C)(C)NS(=O)(=O)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735624075 598497609 /nfs/dbraw/zinc/49/76/09/598497609.db2.gz TUPHYDJUVZJHEL-UHFFFAOYSA-N -1 3 370.395 0.300 20 5 FCBDHM CC(C)(C)NS(=O)(=O)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735624075 598497610 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KPZWJANWZYLWGY-LLVKDONJSA-N -1 3 360.378 0.328 20 5 FCBDHM Cn1cc([C@@]2(C)CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)cn1 ZINC000822674132 606729818 /nfs/dbraw/zinc/72/98/18/606729818.db2.gz LUHSWLYXLPQOBE-OAHLLOKOSA-N -1 3 371.361 0.655 20 5 FCBDHM Cn1cc([C@@]2(C)CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)cn1 ZINC000822674132 606729820 /nfs/dbraw/zinc/72/98/20/606729820.db2.gz LUHSWLYXLPQOBE-OAHLLOKOSA-N -1 3 371.361 0.655 20 5 FCBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000821608675 607173733 /nfs/dbraw/zinc/17/37/33/607173733.db2.gz PWVZZVDQKITKRJ-UHFFFAOYSA-N -1 3 371.361 0.813 20 5 FCBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000821608675 607173734 /nfs/dbraw/zinc/17/37/34/607173734.db2.gz PWVZZVDQKITKRJ-UHFFFAOYSA-N -1 3 371.361 0.813 20 5 FCBDHM CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000820994180 607174302 /nfs/dbraw/zinc/17/43/02/607174302.db2.gz FVGJCIZKNOERMQ-BXUZGUMPSA-N -1 3 374.405 0.717 20 5 FCBDHM 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0.646 20 5 FCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001582803396 1282028433 /nfs/dbraw/zinc/02/84/33/1282028433.db2.gz FUOSXZUAZGBEKH-WDEREUQCSA-N -1 3 364.387 0.646 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Cn1nnnc1-c1ccccn1 ZINC001582804124 1282030395 /nfs/dbraw/zinc/03/03/95/1282030395.db2.gz JXBAFJUPZRBOHS-UHFFFAOYSA-N -1 3 350.302 0.872 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Cn1nnnc1-c1ccccn1 ZINC001582804124 1282030398 /nfs/dbraw/zinc/03/03/98/1282030398.db2.gz JXBAFJUPZRBOHS-UHFFFAOYSA-N -1 3 350.302 0.872 20 5 FCBDHM CC[C@@](COC)(NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)OC ZINC001604038912 1287558912 /nfs/dbraw/zinc/55/89/12/1287558912.db2.gz CHODUPVUNCCXTF-HNNXBMFYSA-N -1 3 364.362 0.833 20 5 FCBDHM CC[C@@](COC)(NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)OC ZINC001604038912 1287558913 /nfs/dbraw/zinc/55/89/13/1287558913.db2.gz CHODUPVUNCCXTF-HNNXBMFYSA-N -1 3 364.362 0.833 20 5 FCBDHM CC(C)(CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)S(C)(=O)=O ZINC001589275895 1282826173 /nfs/dbraw/zinc/82/61/73/1282826173.db2.gz MNNBZLLOCBUBQQ-UHFFFAOYSA-N -1 3 369.407 0.982 20 5 FCBDHM CC(C)(CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001589275895 1282826181 /nfs/dbraw/zinc/82/61/81/1282826181.db2.gz MNNBZLLOCBUBQQ-UHFFFAOYSA-N -1 3 369.407 0.982 20 5 FCBDHM CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)N1CCOCC1 ZINC001589461665 1282887068 /nfs/dbraw/zinc/88/70/68/1282887068.db2.gz ZNAOPTORQPUCAL-CYBMUJFWSA-N -1 3 362.394 0.939 20 5 FCBDHM CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)N1CCOCC1 ZINC001589461665 1282887073 /nfs/dbraw/zinc/88/70/73/1282887073.db2.gz ZNAOPTORQPUCAL-CYBMUJFWSA-N -1 3 362.394 0.939 20 5 FCBDHM CC(C)C[C@@H](C(N)=O)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589541204 1282906864 /nfs/dbraw/zinc/90/68/64/1282906864.db2.gz BKBLFNJPVPAAGY-JTQLQIEISA-N -1 3 362.346 0.966 20 5 FCBDHM CC(C)C[C@@H](C(N)=O)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589541204 1282906868 /nfs/dbraw/zinc/90/68/68/1282906868.db2.gz BKBLFNJPVPAAGY-JTQLQIEISA-N -1 3 362.346 0.966 20 5 FCBDHM C[C@](Cn1cccn1)(NCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(N)=O ZINC001589904298 1283117429 /nfs/dbraw/zinc/11/74/29/1283117429.db2.gz LHWQLIGTWIVZQE-OAHLLOKOSA-N -1 3 371.361 0.005 20 5 FCBDHM C[C@](Cn1cccn1)(NCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(N)=O ZINC001589904298 1283117437 /nfs/dbraw/zinc/11/74/37/1283117437.db2.gz LHWQLIGTWIVZQE-OAHLLOKOSA-N -1 3 371.361 0.005 20 5 FCBDHM CC(F)(F)CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001589910313 1283118423 /nfs/dbraw/zinc/11/84/23/1283118423.db2.gz BGKNCJCHOALUPH-UHFFFAOYSA-N -1 3 354.321 0.947 20 5 FCBDHM CC(F)(F)CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001589910313 1283118428 /nfs/dbraw/zinc/11/84/28/1283118428.db2.gz BGKNCJCHOALUPH-UHFFFAOYSA-N -1 3 354.321 0.947 20 5 FCBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC001590312769 1283458297 /nfs/dbraw/zinc/45/82/97/1283458297.db2.gz QUBRIYBSQQVOFP-IUCAKERBSA-N -1 3 352.376 0.787 20 5 FCBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC001590312769 1283458308 /nfs/dbraw/zinc/45/83/08/1283458308.db2.gz QUBRIYBSQQVOFP-IUCAKERBSA-N -1 3 352.376 0.787 20 5 FCBDHM CCS(=O)(=O)C1CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590847279 1283922670 /nfs/dbraw/zinc/92/26/70/1283922670.db2.gz BYZOPAREMFUOQP-UHFFFAOYSA-N -1 3 352.376 0.394 20 5 FCBDHM CCS(=O)(=O)C1CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590847279 1283922679 /nfs/dbraw/zinc/92/26/79/1283922679.db2.gz BYZOPAREMFUOQP-UHFFFAOYSA-N -1 3 352.376 0.394 20 5 FCBDHM CCc1cc(C(=O)NCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])[nH]n1 ZINC001590880099 1283947740 /nfs/dbraw/zinc/94/77/40/1283947740.db2.gz BYDRYRDNDIJIKO-UHFFFAOYSA-N -1 3 371.361 0.902 20 5 FCBDHM CCc1cc(C(=O)NCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])[nH]n1 ZINC001590880099 1283947748 /nfs/dbraw/zinc/94/77/48/1283947748.db2.gz BYDRYRDNDIJIKO-UHFFFAOYSA-N -1 3 371.361 0.902 20 5 FCBDHM CN(C)C(=O)O[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591004355 1284064155 /nfs/dbraw/zinc/06/41/55/1284064155.db2.gz YRSRIOTUUJFYNA-SNVBAGLBSA-N -1 3 362.350 0.837 20 5 FCBDHM CN(C)C(=O)O[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591004355 1284064158 /nfs/dbraw/zinc/06/41/58/1284064158.db2.gz YRSRIOTUUJFYNA-SNVBAGLBSA-N -1 3 362.350 0.837 20 5 FCBDHM CN(CCNC(=O)C1=CCOCC1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591096289 1284165901 /nfs/dbraw/zinc/16/59/01/1284165901.db2.gz MRBWQXZHDJEFIF-UHFFFAOYSA-N -1 3 373.373 0.674 20 5 FCBDHM CN(CCNC(=O)C1=CCOCC1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591096289 1284165902 /nfs/dbraw/zinc/16/59/02/1284165902.db2.gz MRBWQXZHDJEFIF-UHFFFAOYSA-N -1 3 373.373 0.674 20 5 FCBDHM CN(CCNC(=O)Cc1ccon1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591097689 1284168564 /nfs/dbraw/zinc/16/85/64/1284168564.db2.gz NBQPXACGMSVHEN-UHFFFAOYSA-N -1 3 372.345 0.558 20 5 FCBDHM 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ZINC001591265046 1284422704 /nfs/dbraw/zinc/42/27/04/1284422704.db2.gz XNADZHIYHYEWAV-MRVPVSSYSA-N -1 3 363.334 0.125 20 5 FCBDHM COC(=O)C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CCO1 ZINC001591265046 1284422706 /nfs/dbraw/zinc/42/27/06/1284422706.db2.gz XNADZHIYHYEWAV-MRVPVSSYSA-N -1 3 363.334 0.125 20 5 FCBDHM COC(=O)N[C@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591275565 1284431374 /nfs/dbraw/zinc/43/13/74/1284431374.db2.gz NSJATXFKMPJTGV-ZETCQYMHSA-N -1 3 351.298 0.849 20 5 FCBDHM COC(=O)N[C@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591275565 1284431376 /nfs/dbraw/zinc/43/13/76/1284431376.db2.gz NSJATXFKMPJTGV-ZETCQYMHSA-N -1 3 351.298 0.849 20 5 FCBDHM COC(=O)NCCC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591275342 1284431634 /nfs/dbraw/zinc/43/16/34/1284431634.db2.gz ZYOAZTXLJVVVCC-UHFFFAOYSA-N -1 3 350.291 0.564 20 5 FCBDHM COC(=O)NCCC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591275342 1284431636 /nfs/dbraw/zinc/43/16/36/1284431636.db2.gz ZYOAZTXLJVVVCC-UHFFFAOYSA-N -1 3 350.291 0.564 20 5 FCBDHM COC[C@H](CS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001591377495 1284515155 /nfs/dbraw/zinc/51/51/55/1284515155.db2.gz MAVDZIRBPOAOPN-SECBINFHSA-N -1 3 373.347 0.145 20 5 FCBDHM COC[C@H](CS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001591377495 1284515161 /nfs/dbraw/zinc/51/51/61/1284515161.db2.gz MAVDZIRBPOAOPN-SECBINFHSA-N -1 3 373.347 0.145 20 5 FCBDHM COCCOCCN(CCO)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591439167 1284593380 /nfs/dbraw/zinc/59/33/80/1284593380.db2.gz PTBWESJNGOWIRA-UHFFFAOYSA-N -1 3 352.351 0.237 20 5 FCBDHM COCCOCCN(CCO)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591439167 1284593383 /nfs/dbraw/zinc/59/33/83/1284593383.db2.gz PTBWESJNGOWIRA-UHFFFAOYSA-N -1 3 352.351 0.237 20 5 FCBDHM CS(=O)(=O)[C@@H]1CCCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591674224 1284809004 /nfs/dbraw/zinc/80/90/04/1284809004.db2.gz RTYLDXFHVPDEHK-SNVBAGLBSA-N -1 3 367.391 0.573 20 5 FCBDHM CS(=O)(=O)[C@@H]1CCCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591674224 1284809010 /nfs/dbraw/zinc/80/90/10/1284809010.db2.gz RTYLDXFHVPDEHK-SNVBAGLBSA-N -1 3 367.391 0.573 20 5 FCBDHM CCS(=O)(=O)NCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609247329 1289018018 /nfs/dbraw/zinc/01/80/18/1289018018.db2.gz GCAYIUQNQIOOIC-UHFFFAOYSA-N -1 3 355.380 0.516 20 5 FCBDHM CCS(=O)(=O)NCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609247329 1289018025 /nfs/dbraw/zinc/01/80/25/1289018025.db2.gz GCAYIUQNQIOOIC-UHFFFAOYSA-N -1 3 355.380 0.516 20 5 FCBDHM Cc1cc(-c2nnn[n-]2)cc(N(C(=O)Cn2cnc([N+](=O)[O-])n2)C2CC2)n1 ZINC001591853140 1284952165 /nfs/dbraw/zinc/95/21/65/1284952165.db2.gz FPLPKFXXHRQHSX-UHFFFAOYSA-N -1 3 370.333 0.265 20 5 FCBDHM Cc1cc(-c2nn[n-]n2)cc(N(C(=O)Cn2cnc([N+](=O)[O-])n2)C2CC2)n1 ZINC001591853140 1284952169 /nfs/dbraw/zinc/95/21/69/1284952169.db2.gz FPLPKFXXHRQHSX-UHFFFAOYSA-N -1 3 370.333 0.265 20 5 FCBDHM Cc1cc(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)no1 ZINC001591958829 1285024312 /nfs/dbraw/zinc/02/43/12/1285024312.db2.gz ZSFZUGOLQFXZGL-UHFFFAOYSA-N -1 3 372.345 0.842 20 5 FCBDHM Cc1cc(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)no1 ZINC001591958829 1285024321 /nfs/dbraw/zinc/02/43/21/1285024321.db2.gz ZSFZUGOLQFXZGL-UHFFFAOYSA-N -1 3 372.345 0.842 20 5 FCBDHM Cc1cc(N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592001051 1285051486 /nfs/dbraw/zinc/05/14/86/1285051486.db2.gz NLJUYRWCPNCANX-HZPDHXFCSA-N -1 3 371.357 0.572 20 5 FCBDHM Cc1cc(N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592001051 1285051493 /nfs/dbraw/zinc/05/14/93/1285051493.db2.gz NLJUYRWCPNCANX-HZPDHXFCSA-N -1 3 371.357 0.572 20 5 FCBDHM Cc1cc(N2CCC[C@H](CNC(N)=O)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592005137 1285054291 /nfs/dbraw/zinc/05/42/91/1285054291.db2.gz JBDLRPMPLOQRTO-SNVBAGLBSA-N -1 3 360.378 0.968 20 5 FCBDHM Cc1cc(N2CCC[C@H](CNC(N)=O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592005137 1285054293 /nfs/dbraw/zinc/05/42/93/1285054293.db2.gz JBDLRPMPLOQRTO-SNVBAGLBSA-N -1 3 360.378 0.968 20 5 FCBDHM Cc1cc(N2CCN([C@@H]3CCOC3)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592007746 1285056240 /nfs/dbraw/zinc/05/62/40/1285056240.db2.gz IOZYZQVOSCGLCX-GFCCVEGCSA-N -1 3 359.390 0.994 20 5 FCBDHM Cc1cc(N2CCN([S@](C)(=N)=O)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592007076 1285057553 /nfs/dbraw/zinc/05/75/53/1285057553.db2.gz GXDUHFLLGRNNLI-VWLOTQADSA-N -1 3 366.407 0.797 20 5 FCBDHM Cc1cc(N2CCN([S@](C)(=N)=O)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592007076 1285057562 /nfs/dbraw/zinc/05/75/62/1285057562.db2.gz GXDUHFLLGRNNLI-VWLOTQADSA-N -1 3 366.407 0.797 20 5 FCBDHM Cc1cc(NCC2CN(S(C)(=O)=O)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592045505 1285085172 /nfs/dbraw/zinc/08/51/72/1285085172.db2.gz RZHYUWWEZAMUIY-UHFFFAOYSA-N -1 3 367.391 0.387 20 5 FCBDHM Cc1cc(NCC2CN(S(C)(=O)=O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592045505 1285085182 /nfs/dbraw/zinc/08/51/82/1285085182.db2.gz RZHYUWWEZAMUIY-UHFFFAOYSA-N -1 3 367.391 0.387 20 5 FCBDHM Cc1ncc([N+](=O)[O-])n1CCOC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001592412471 1285330212 /nfs/dbraw/zinc/33/02/12/1285330212.db2.gz GGIPFYFZMMXLNT-UHFFFAOYSA-N -1 3 373.329 0.902 20 5 FCBDHM Cc1ncc([N+](=O)[O-])n1CCOC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001592412471 1285330224 /nfs/dbraw/zinc/33/02/24/1285330224.db2.gz GGIPFYFZMMXLNT-UHFFFAOYSA-N -1 3 373.329 0.902 20 5 FCBDHM Cc1nocc1C(=O)NCCN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592464015 1285404194 /nfs/dbraw/zinc/40/41/94/1285404194.db2.gz QCGGYLDXUHEXCY-UHFFFAOYSA-N -1 3 372.345 0.938 20 5 FCBDHM Cc1nocc1C(=O)NCCN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592464015 1285404201 /nfs/dbraw/zinc/40/42/01/1285404201.db2.gz QCGGYLDXUHEXCY-UHFFFAOYSA-N -1 3 372.345 0.938 20 5 FCBDHM Cn1ccnc1C1(O)CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001592583751 1285507289 /nfs/dbraw/zinc/50/72/89/1285507289.db2.gz ODZQOVOXODTPLG-UHFFFAOYSA-N -1 3 360.309 0.355 20 5 FCBDHM Cn1ccnc1C1(O)CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001592583751 1285507304 /nfs/dbraw/zinc/50/73/04/1285507304.db2.gz ODZQOVOXODTPLG-UHFFFAOYSA-N -1 3 360.309 0.355 20 5 FCBDHM Cn1ccnc1N1CCC(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001592585874 1285512339 /nfs/dbraw/zinc/51/23/39/1285512339.db2.gz ZTBVHLMXZMYNJP-UHFFFAOYSA-N -1 3 370.377 0.984 20 5 FCBDHM Cn1ccnc1N1CCC(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001592585874 1285512349 /nfs/dbraw/zinc/51/23/49/1285512349.db2.gz ZTBVHLMXZMYNJP-UHFFFAOYSA-N -1 3 370.377 0.984 20 5 FCBDHM Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001592601986 1285537948 /nfs/dbraw/zinc/53/79/48/1285537948.db2.gz HDSZAVPOVAIVIT-LLVKDONJSA-N -1 3 370.377 0.984 20 5 FCBDHM Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001592601986 1285537956 /nfs/dbraw/zinc/53/79/56/1285537956.db2.gz HDSZAVPOVAIVIT-LLVKDONJSA-N -1 3 370.377 0.984 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC(n3ccnn3)CC2)c1-c1nnn[n-]1 ZINC001592755851 1285678052 /nfs/dbraw/zinc/67/80/52/1285678052.db2.gz ALBFWDDJBWPROG-UHFFFAOYSA-N -1 3 356.350 0.790 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC(n3ccnn3)CC2)c1-c1nn[n-]n1 ZINC001592755851 1285678053 /nfs/dbraw/zinc/67/80/53/1285678053.db2.gz ALBFWDDJBWPROG-UHFFFAOYSA-N -1 3 356.350 0.790 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H](NC(=O)NC3CC3)C2)c1-c1nnn[n-]1 ZINC001592757926 1285679134 /nfs/dbraw/zinc/67/91/34/1285679134.db2.gz VJKJCNCALORNQM-VIFPVBQESA-N -1 3 373.377 0.397 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H](NC(=O)NC3CC3)C2)c1-c1nn[n-]n1 ZINC001592757926 1285679142 /nfs/dbraw/zinc/67/91/42/1285679142.db2.gz VJKJCNCALORNQM-VIFPVBQESA-N -1 3 373.377 0.397 20 5 FCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001592941752 1285832118 /nfs/dbraw/zinc/83/21/18/1285832118.db2.gz UEHOVCFYMDQDTJ-UHFFFAOYSA-N -1 3 351.233 0.283 20 5 FCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001592941752 1285832128 /nfs/dbraw/zinc/83/21/28/1285832128.db2.gz UEHOVCFYMDQDTJ-UHFFFAOYSA-N -1 3 351.233 0.283 20 5 FCBDHM CN(CC(=O)NCc1ccc(-c2nnn[n-]2)cn1)c1ccccc1[N+](=O)[O-] ZINC001609271411 1289035857 /nfs/dbraw/zinc/03/58/57/1289035857.db2.gz PPGNZSXCOOZHSJ-UHFFFAOYSA-N -1 3 368.357 0.923 20 5 FCBDHM CN(CC(=O)NCc1ccc(-c2nn[n-]n2)cn1)c1ccccc1[N+](=O)[O-] ZINC001609271411 1289035863 /nfs/dbraw/zinc/03/58/63/1289035863.db2.gz PPGNZSXCOOZHSJ-UHFFFAOYSA-N -1 3 368.357 0.923 20 5 FCBDHM O=C(NCC1(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1)c1cn[nH]c1 ZINC001593017923 1285900162 /nfs/dbraw/zinc/90/01/62/1285900162.db2.gz XOQAXRSZXJBFGU-UHFFFAOYSA-N -1 3 369.345 0.873 20 5 FCBDHM O=C(NCC1(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1)c1cn[nH]c1 ZINC001593017923 1285900165 /nfs/dbraw/zinc/90/01/65/1285900165.db2.gz XOQAXRSZXJBFGU-UHFFFAOYSA-N -1 3 369.345 0.873 20 5 FCBDHM O=C(NCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cocn1 ZINC001593076738 1285973395 /nfs/dbraw/zinc/97/33/95/1285973395.db2.gz XVDQDYZOVSDWSL-UHFFFAOYSA-N -1 3 358.318 0.995 20 5 FCBDHM O=C(NCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cocn1 ZINC001593076738 1285973401 /nfs/dbraw/zinc/97/34/01/1285973401.db2.gz XVDQDYZOVSDWSL-UHFFFAOYSA-N -1 3 358.318 0.995 20 5 FCBDHM O=C(N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001593187692 1286030822 /nfs/dbraw/zinc/03/08/22/1286030822.db2.gz COJJTPPJRGVDSI-DTORHVGOSA-N -1 3 369.345 0.871 20 5 FCBDHM O=C(N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001593187692 1286030828 /nfs/dbraw/zinc/03/08/28/1286030828.db2.gz COJJTPPJRGVDSI-DTORHVGOSA-N -1 3 369.345 0.871 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1C[C@@H](CO)[C@H](CCO)C1 ZINC001593469375 1286171920 /nfs/dbraw/zinc/17/19/20/1286171920.db2.gz OSRBYHCWTFBFAY-BDAKNGLRSA-N -1 3 352.326 0.341 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@@H](CO)[C@H](CCO)C1 ZINC001593469375 1286171924 /nfs/dbraw/zinc/17/19/24/1286171924.db2.gz OSRBYHCWTFBFAY-BDAKNGLRSA-N -1 3 352.326 0.341 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1C[C@H](CO)[C@H](CCO)C1 ZINC001593469386 1286172215 /nfs/dbraw/zinc/17/22/15/1286172215.db2.gz OSRBYHCWTFBFAY-RKDXNWHRSA-N -1 3 352.326 0.341 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@H](CO)[C@H](CCO)C1 ZINC001593469386 1286172216 /nfs/dbraw/zinc/17/22/16/1286172216.db2.gz OSRBYHCWTFBFAY-RKDXNWHRSA-N -1 3 352.326 0.341 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@](O)(CO)C3)cc(-c3nnn[n-]3)c2c1 ZINC001593480941 1286173541 /nfs/dbraw/zinc/17/35/41/1286173541.db2.gz SMHYTONOHGDLHU-MRXNPFEDSA-N -1 3 371.357 0.647 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@](O)(CO)C3)cc(-c3nn[n-]n3)c2c1 ZINC001593480941 1286173546 /nfs/dbraw/zinc/17/35/46/1286173546.db2.gz SMHYTONOHGDLHU-MRXNPFEDSA-N -1 3 371.357 0.647 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCN(CC(F)(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC001593485385 1286174331 /nfs/dbraw/zinc/17/43/31/1286174331.db2.gz ATWXMBYHCRULRR-UHFFFAOYSA-N -1 3 358.284 0.854 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCN(CC(F)(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC001593485385 1286174334 /nfs/dbraw/zinc/17/43/34/1286174334.db2.gz ATWXMBYHCRULRR-UHFFFAOYSA-N -1 3 358.284 0.854 20 5 FCBDHM O=[N+]([O-])c1cnc(NCC[C@@H]2CCCS2(=O)=O)c(-c2nnn[n-]2)c1 ZINC001593484521 1286174461 /nfs/dbraw/zinc/17/44/61/1286174461.db2.gz CVKXDGNJNWXOEN-VIFPVBQESA-N -1 3 353.364 0.549 20 5 FCBDHM O=[N+]([O-])c1cnc(NCC[C@@H]2CCCS2(=O)=O)c(-c2nn[n-]n2)c1 ZINC001593484521 1286174463 /nfs/dbraw/zinc/17/44/63/1286174463.db2.gz CVKXDGNJNWXOEN-VIFPVBQESA-N -1 3 353.364 0.549 20 5 FCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001593486655 1286175987 /nfs/dbraw/zinc/17/59/87/1286175987.db2.gz DYZOHUJAXGIBJY-UHFFFAOYSA-N -1 3 361.343 0.648 20 5 FCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001593486655 1286175989 /nfs/dbraw/zinc/17/59/89/1286175989.db2.gz DYZOHUJAXGIBJY-UHFFFAOYSA-N -1 3 361.343 0.648 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](n3ccnn3)CC2)c(-c2nnn[n-]2)c1 ZINC001593486256 1286176053 /nfs/dbraw/zinc/17/60/53/1286176053.db2.gz PTEDQYUYHOVMPY-SNVBAGLBSA-N -1 3 356.350 0.993 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](n3ccnn3)CC2)c(-c2nn[n-]n2)c1 ZINC001593486256 1286176057 /nfs/dbraw/zinc/17/60/57/1286176057.db2.gz PTEDQYUYHOVMPY-SNVBAGLBSA-N -1 3 356.350 0.993 20 5 FCBDHM Cc1cc(S(=O)(=O)N2CCCNC[C@@H]2C(=O)[O-])c(C)cc1[N+](=O)[O-] ZINC001600293330 1286470719 /nfs/dbraw/zinc/47/07/19/1286470719.db2.gz JJCMZWAZDXTQBO-GFCCVEGCSA-N -1 3 357.388 0.649 20 5 FCBDHM C[C@@H](CN(C)C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC001609374569 1289127403 /nfs/dbraw/zinc/12/74/03/1289127403.db2.gz HJPGALTVWSOFPG-QMMMGPOBSA-N -1 3 355.380 0.003 20 5 FCBDHM COCCN1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1=O ZINC001605106097 1287883559 /nfs/dbraw/zinc/88/35/59/1287883559.db2.gz MEJJYJGXMKLUKI-UHFFFAOYSA-N -1 3 365.325 0.209 20 5 FCBDHM COCCN1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1=O ZINC001605106097 1287883563 /nfs/dbraw/zinc/88/35/63/1287883563.db2.gz MEJJYJGXMKLUKI-UHFFFAOYSA-N -1 3 365.325 0.209 20 5 FCBDHM COc1c(C)[nH]cc(CN(C)c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1=O ZINC001605155389 1287897717 /nfs/dbraw/zinc/89/77/17/1287897717.db2.gz LULSSXFKKXJSEK-UHFFFAOYSA-N -1 3 372.345 0.812 20 5 FCBDHM COc1c(C)[nH]cc(CN(C)c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1=O ZINC001605155389 1287897723 /nfs/dbraw/zinc/89/77/23/1287897723.db2.gz LULSSXFKKXJSEK-UHFFFAOYSA-N -1 3 372.345 0.812 20 5 FCBDHM Cc1cc(NCCOCCS(C)(=O)=O)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409303 1289141059 /nfs/dbraw/zinc/14/10/59/1289141059.db2.gz GPOYJGUIQNHUEC-UHFFFAOYSA-N -1 3 370.391 0.556 20 5 FCBDHM Cc1cc(NCCOCCS(C)(=O)=O)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409303 1289141064 /nfs/dbraw/zinc/14/10/64/1289141064.db2.gz GPOYJGUIQNHUEC-UHFFFAOYSA-N -1 3 370.391 0.556 20 5 FCBDHM CS(=O)(=O)C1(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC001605352773 1287933872 /nfs/dbraw/zinc/93/38/72/1287933872.db2.gz VRGOGBHSESZTHO-UHFFFAOYSA-N -1 3 353.364 0.549 20 5 FCBDHM 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ZINC001605733011 1288065902 /nfs/dbraw/zinc/06/59/02/1288065902.db2.gz YDNLCIVICWKHTL-SECBINFHSA-N -1 3 352.376 0.930 20 5 FCBDHM Cc1cc(NC[C@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605733011 1288065904 /nfs/dbraw/zinc/06/59/04/1288065904.db2.gz YDNLCIVICWKHTL-SECBINFHSA-N -1 3 352.376 0.930 20 5 FCBDHM Cc1cn(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)nc1[N+](=O)[O-] ZINC001605969554 1288115268 /nfs/dbraw/zinc/11/52/68/1288115268.db2.gz MGUCQJVQIOGXJV-UHFFFAOYSA-N -1 3 364.347 0.149 20 5 FCBDHM Cc1cn(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)nc1[N+](=O)[O-] ZINC001605969554 1288115273 /nfs/dbraw/zinc/11/52/73/1288115273.db2.gz MGUCQJVQIOGXJV-UHFFFAOYSA-N -1 3 364.347 0.149 20 5 FCBDHM Cc1csc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1-c1nnn[n-]1 ZINC001606005955 1288127890 /nfs/dbraw/zinc/12/78/90/1288127890.db2.gz ZLYIVRSLBYOKSZ-UHFFFAOYSA-N -1 3 361.343 0.945 20 5 FCBDHM Cc1csc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1-c1nn[n-]n1 ZINC001606005955 1288127895 /nfs/dbraw/zinc/12/78/95/1288127895.db2.gz 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COc1c(F)cc(S(=O)(=O)[N-]CC(=O)OCC2CC2)cc1[N+](=O)[O-] ZINC000275286293 547345510 /nfs/dbraw/zinc/34/55/10/547345510.db2.gz SRZUOOIRDAMZQD-UHFFFAOYSA-N -1 3 362.335 0.974 20 5 FCBDHM CNS(=O)(=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736883161 598830135 /nfs/dbraw/zinc/83/01/35/598830135.db2.gz NFEHRJULOAJHBO-JTQLQIEISA-N -1 3 367.391 0.293 20 5 FCBDHM CNS(=O)(=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736883161 598830136 /nfs/dbraw/zinc/83/01/36/598830136.db2.gz NFEHRJULOAJHBO-JTQLQIEISA-N -1 3 367.391 0.293 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCN(C[C@@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1 ZINC000823650809 599255466 /nfs/dbraw/zinc/25/54/66/599255466.db2.gz BBXFXXCKVGIRJY-LBPRGKRZSA-N -1 3 360.378 0.471 20 5 FCBDHM Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822698808 599284545 /nfs/dbraw/zinc/28/45/45/599284545.db2.gz GEPKAJNIJMFKIQ-UHFFFAOYSA-N -1 3 369.389 0.831 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCN(c2cccnn2)CC1 ZINC000738359404 598247569 /nfs/dbraw/zinc/24/75/69/598247569.db2.gz QYWATTDPKIOYIG-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCN(c2cccnn2)CC1 ZINC000738359404 598247570 /nfs/dbraw/zinc/24/75/70/598247570.db2.gz QYWATTDPKIOYIG-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM O=[N+]([O-])c1cc(N2CC[C@H](CN3CCOCC3)C2)ccc1-c1nnn[n-]1 ZINC000823634807 607347314 /nfs/dbraw/zinc/34/73/14/607347314.db2.gz MJRXAHHRVUDDSZ-GFCCVEGCSA-N -1 3 359.390 0.933 20 5 FCBDHM CN(C)C(=O)Cn1cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC000736752525 598500435 /nfs/dbraw/zinc/50/04/35/598500435.db2.gz ZBWQLUUFZPUONY-UHFFFAOYSA-N -1 3 358.322 0.198 20 5 FCBDHM CN(C)C(=O)Cn1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000736752525 598500437 /nfs/dbraw/zinc/50/04/37/598500437.db2.gz ZBWQLUUFZPUONY-UHFFFAOYSA-N -1 3 358.322 0.198 20 5 FCBDHM CN(Cc1nnc2ccccn21)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736830221 598500682 /nfs/dbraw/zinc/50/06/82/598500682.db2.gz JPYITOPUTRAHFO-UHFFFAOYSA-N -1 3 352.318 0.849 20 5 FCBDHM CN(Cc1nnc2ccccn21)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736830221 598500684 /nfs/dbraw/zinc/50/06/84/598500684.db2.gz JPYITOPUTRAHFO-UHFFFAOYSA-N -1 3 352.318 0.849 20 5 FCBDHM Cc1cnn(C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)c1 ZINC000737447396 598502788 /nfs/dbraw/zinc/50/27/88/598502788.db2.gz AJGXGUCYDKBLCW-LBPRGKRZSA-N -1 3 371.361 0.580 20 5 FCBDHM Cc1cnn(C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)c1 ZINC000737447396 598502789 /nfs/dbraw/zinc/50/27/89/598502789.db2.gz AJGXGUCYDKBLCW-LBPRGKRZSA-N -1 3 371.361 0.580 20 5 FCBDHM Nc1sc2c(c1-c1nnn[n-]1)CCN(c1ncc([N+](=O)[O-])c(N)n1)C2 ZINC000737776584 598551783 /nfs/dbraw/zinc/55/17/83/598551783.db2.gz QWWNYWWEMLQLGQ-UHFFFAOYSA-N -1 3 360.363 0.354 20 5 FCBDHM Nc1sc2c(c1-c1nn[n-]n1)CCN(c1ncc([N+](=O)[O-])c(N)n1)C2 ZINC000737776584 598551784 /nfs/dbraw/zinc/55/17/84/598551784.db2.gz QWWNYWWEMLQLGQ-UHFFFAOYSA-N -1 3 360.363 0.354 20 5 FCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826424227 607366160 /nfs/dbraw/zinc/36/61/60/607366160.db2.gz BMLLIQDITZINRI-UHFFFAOYSA-N -1 3 357.286 0.398 20 5 FCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826424227 607366162 /nfs/dbraw/zinc/36/61/62/607366162.db2.gz BMLLIQDITZINRI-UHFFFAOYSA-N -1 3 357.286 0.398 20 5 FCBDHM O=C1NC(=O)[C@]2(CCC[C@H]2CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)N1 ZINC000823540922 599686156 /nfs/dbraw/zinc/68/61/56/599686156.db2.gz KWDOANDMPBAGOK-VXJOIVPMSA-N -1 3 372.345 0.565 20 5 FCBDHM O=C1NC(=O)[C@]2(CCC[C@H]2CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)N1 ZINC000823540922 599686157 /nfs/dbraw/zinc/68/61/57/599686157.db2.gz KWDOANDMPBAGOK-VXJOIVPMSA-N -1 3 372.345 0.565 20 5 FCBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cn1 ZINC000823639961 606039119 /nfs/dbraw/zinc/03/91/19/606039119.db2.gz NPKPCVUBQUHVAL-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cn1 ZINC000823639961 606039124 /nfs/dbraw/zinc/03/91/24/606039124.db2.gz NPKPCVUBQUHVAL-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM CCN1C(=O)[C@@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CCN2C1=O ZINC000821240239 606430308 /nfs/dbraw/zinc/43/03/08/606430308.db2.gz FWDRKYBBRRGSKS-LBPRGKRZSA-N -1 3 372.345 0.248 20 5 FCBDHM CCN1C(=O)[C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CCN2C1=O ZINC000821240239 606430311 /nfs/dbraw/zinc/43/03/11/606430311.db2.gz FWDRKYBBRRGSKS-LBPRGKRZSA-N -1 3 372.345 0.248 20 5 FCBDHM O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000823635264 606640392 /nfs/dbraw/zinc/64/03/92/606640392.db2.gz UREXCNOCROCGST-JSGCOSHPSA-N -1 3 360.330 0.552 20 5 FCBDHM Nc1ccc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cn1 ZINC000822907623 606704337 /nfs/dbraw/zinc/70/43/37/606704337.db2.gz WATPNBRKLQRHKO-UHFFFAOYSA-N -1 3 368.361 0.474 20 5 FCBDHM Nc1ccc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cn1 ZINC000822907623 606704338 /nfs/dbraw/zinc/70/43/38/606704338.db2.gz WATPNBRKLQRHKO-UHFFFAOYSA-N -1 3 368.361 0.474 20 5 FCBDHM COCCc1noc(CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000821694625 606951010 /nfs/dbraw/zinc/95/10/10/606951010.db2.gz VMIUOYVSLKYFDC-UHFFFAOYSA-N -1 3 360.334 0.983 20 5 FCBDHM COCCc1noc(CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000821694625 606951012 /nfs/dbraw/zinc/95/10/12/606951012.db2.gz VMIUOYVSLKYFDC-UHFFFAOYSA-N -1 3 360.334 0.983 20 5 FCBDHM COCCc1noc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000821694544 606951050 /nfs/dbraw/zinc/95/10/50/606951050.db2.gz RMBCRZCVLDEIPO-UHFFFAOYSA-N -1 3 361.322 0.378 20 5 FCBDHM COCCc1noc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000821694544 606951051 /nfs/dbraw/zinc/95/10/51/606951051.db2.gz RMBCRZCVLDEIPO-UHFFFAOYSA-N -1 3 361.322 0.378 20 5 FCBDHM Cc1cc([N+](=O)[O-])cn(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1=O ZINC000822212670 606984797 /nfs/dbraw/zinc/98/47/97/606984797.db2.gz BHQCDXXKMVGMQO-UHFFFAOYSA-N -1 3 369.341 0.561 20 5 FCBDHM Cc1cc([N+](=O)[O-])cn(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000822212670 606984798 /nfs/dbraw/zinc/98/47/98/606984798.db2.gz BHQCDXXKMVGMQO-UHFFFAOYSA-N -1 3 369.341 0.561 20 5 FCBDHM COC(=O)[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821645254 607171943 /nfs/dbraw/zinc/17/19/43/607171943.db2.gz VGJDHOHFRCDUII-CYBMUJFWSA-N -1 3 372.345 0.475 20 5 FCBDHM COC(=O)[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821645254 607171944 /nfs/dbraw/zinc/17/19/44/607171944.db2.gz VGJDHOHFRCDUII-CYBMUJFWSA-N -1 3 372.345 0.475 20 5 FCBDHM Cc1ncc([N+](=O)[O-])n1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826330507 607868653 /nfs/dbraw/zinc/86/86/53/607868653.db2.gz XLFQGBBYBFDYGL-UHFFFAOYSA-N -1 3 363.359 0.754 20 5 FCBDHM Cc1ncc([N+](=O)[O-])n1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826330507 607868654 /nfs/dbraw/zinc/86/86/54/607868654.db2.gz XLFQGBBYBFDYGL-UHFFFAOYSA-N -1 3 363.359 0.754 20 5 FCBDHM Nc1n[nH]c(CCCNc2ccc3ncc([N+](=O)[O-])n3n2)c1-c1nnn[n-]1 ZINC000826395155 607988704 /nfs/dbraw/zinc/98/87/04/607988704.db2.gz OTGKVPXJPHUQNS-UHFFFAOYSA-N -1 3 370.337 0.168 20 5 FCBDHM O=C(CN1CCCC1=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826410492 608163713 /nfs/dbraw/zinc/16/37/13/608163713.db2.gz PATXXGFSDBPBHM-UHFFFAOYSA-N -1 3 365.737 0.989 20 5 FCBDHM O=C(CN1CCCC1=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826410492 608163715 /nfs/dbraw/zinc/16/37/15/608163715.db2.gz PATXXGFSDBPBHM-UHFFFAOYSA-N -1 3 365.737 0.989 20 5 FCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826366555 608376263 /nfs/dbraw/zinc/37/62/63/608376263.db2.gz NUBXYRDLYMNZHO-UHFFFAOYSA-N -1 3 357.286 0.548 20 5 FCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826366555 608376265 /nfs/dbraw/zinc/37/62/65/608376265.db2.gz NUBXYRDLYMNZHO-UHFFFAOYSA-N -1 3 357.286 0.548 20 5 FCBDHM CN(C)C(=O)[C@@H]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)O1 ZINC000825841608 608413283 /nfs/dbraw/zinc/41/32/83/608413283.db2.gz YEIZNYJJYIXSFT-MFKMUULPSA-N -1 3 361.362 0.823 20 5 FCBDHM CN(C)C(=O)[C@@H]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)O1 ZINC000825841608 608413286 /nfs/dbraw/zinc/41/32/86/608413286.db2.gz YEIZNYJJYIXSFT-MFKMUULPSA-N -1 3 361.362 0.823 20 5 FCBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826464218 609629782 /nfs/dbraw/zinc/62/97/82/609629782.db2.gz NMBLLTHENIMEPD-GFCCVEGCSA-N -1 3 359.302 0.248 20 5 FCBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464218 609629783 /nfs/dbraw/zinc/62/97/83/609629783.db2.gz NMBLLTHENIMEPD-GFCCVEGCSA-N -1 3 359.302 0.248 20 5 FCBDHM CCOC(=O)c1cc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cn1C ZINC000760512336 667852366 /nfs/dbraw/zinc/85/23/66/667852366.db2.gz AMWHTLOCMPPAGL-UHFFFAOYSA-N -1 3 369.359 0.810 20 5 FCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCS(=O)(=O)C2CC2)c(F)c1 ZINC000841561094 670594724 /nfs/dbraw/zinc/59/47/24/670594724.db2.gz MQQRZIVDIAIQMD-UHFFFAOYSA-N -1 3 352.365 0.589 20 5 FCBDHM CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000954239674 1213050100 /nfs/dbraw/zinc/05/01/00/1213050100.db2.gz OYISKRXOQJQXNQ-DGCLKSJQSA-N -1 3 371.353 0.283 20 5 FCBDHM Cc1n[nH]cc1C(=O)NCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001580517024 1278438487 /nfs/dbraw/zinc/43/84/87/1278438487.db2.gz PDQFJYPAUSMLRQ-UHFFFAOYSA-N -1 3 357.334 0.648 20 5 FCBDHM Cc1n[nH]cc1C(=O)NCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001580517024 1278438490 /nfs/dbraw/zinc/43/84/90/1278438490.db2.gz PDQFJYPAUSMLRQ-UHFFFAOYSA-N -1 3 357.334 0.648 20 5 FCBDHM CCn1nccc1C(=O)NCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001578829226 1276341398 /nfs/dbraw/zinc/34/13/98/1276341398.db2.gz ZPPBOWCBNVAPRS-UHFFFAOYSA-N -1 3 371.361 0.833 20 5 FCBDHM CCn1nccc1C(=O)NCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001578829226 1276341404 /nfs/dbraw/zinc/34/14/04/1276341404.db2.gz ZPPBOWCBNVAPRS-UHFFFAOYSA-N -1 3 371.361 0.833 20 5 FCBDHM CN(CCN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(=O)c1nc[nH]n1 ZINC001579140397 1276852602 /nfs/dbraw/zinc/85/26/02/1276852602.db2.gz FMCMBTXGCAKWMY-UHFFFAOYSA-N -1 3 372.349 0.101 20 5 FCBDHM CN(CCN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(=O)c1nc[nH]n1 ZINC001579140397 1276852610 /nfs/dbraw/zinc/85/26/10/1276852610.db2.gz FMCMBTXGCAKWMY-UHFFFAOYSA-N -1 3 372.349 0.101 20 5 FCBDHM Cn1ccc(CC(=O)NCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001581788678 1280516879 /nfs/dbraw/zinc/51/68/79/1280516879.db2.gz UDMSPSMLYLBUQI-UHFFFAOYSA-N -1 3 371.361 0.279 20 5 FCBDHM Cn1ccc(CC(=O)NCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001581788678 1280516883 /nfs/dbraw/zinc/51/68/83/1280516883.db2.gz UDMSPSMLYLBUQI-UHFFFAOYSA-N -1 3 371.361 0.279 20 5 FCBDHM Cn1[nH]c(=O)c2c1CN(Cc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])CC2 ZINC001581824394 1280570697 /nfs/dbraw/zinc/57/06/97/1280570697.db2.gz QMBOYFIYIRHWQE-UHFFFAOYSA-N -1 3 356.346 0.772 20 5 FCBDHM Cn1[nH]c(=O)c2c1CN(Cc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])CC2 ZINC001581824394 1280570705 /nfs/dbraw/zinc/57/07/05/1280570705.db2.gz QMBOYFIYIRHWQE-UHFFFAOYSA-N -1 3 356.346 0.772 20 5 FCBDHM O=C(Cc1cc[nH]n1)NCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001582159406 1281119109 /nfs/dbraw/zinc/11/91/09/1281119109.db2.gz SXVLONYNZPSQMY-UHFFFAOYSA-N -1 3 371.361 0.659 20 5 FCBDHM O=C(Cc1cc[nH]n1)NCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001582159406 1281119112 /nfs/dbraw/zinc/11/91/12/1281119112.db2.gz SXVLONYNZPSQMY-UHFFFAOYSA-N -1 3 371.361 0.659 20 5 FCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001582803393 1282027674 /nfs/dbraw/zinc/02/76/74/1282027674.db2.gz FUOSXZUAZGBEKH-GHMZBOCLSA-N -1 3 364.387 0.646 20 5 FCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001582803393 1282027685 /nfs/dbraw/zinc/02/76/85/1282027685.db2.gz FUOSXZUAZGBEKH-GHMZBOCLSA-N -1 3 364.387 0.646 20 5 FCBDHM CC(C)c1nnnn1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589778451 1282995327 /nfs/dbraw/zinc/99/53/27/1282995327.db2.gz LAVWAJNHQUOBQX-UHFFFAOYSA-N -1 3 373.333 0.628 20 5 FCBDHM CC(C)c1nnnn1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589778451 1282995344 /nfs/dbraw/zinc/99/53/44/1282995344.db2.gz LAVWAJNHQUOBQX-UHFFFAOYSA-N -1 3 373.333 0.628 20 5 FCBDHM C[C@@H]1C[C@H](N2CCOCC2)CN1c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590197804 1283308220 /nfs/dbraw/zinc/30/82/20/1283308220.db2.gz SFGAMTMZDNMFHD-PWSUYJOCSA-N -1 3 374.405 0.657 20 5 FCBDHM C[C@@H]1C[C@H](N2CCOCC2)CN1c1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590197804 1283308230 /nfs/dbraw/zinc/30/82/30/1283308230.db2.gz SFGAMTMZDNMFHD-PWSUYJOCSA-N -1 3 374.405 0.657 20 5 FCBDHM C[C@@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCS1(=O)=O ZINC001590212980 1283346033 /nfs/dbraw/zinc/34/60/33/1283346033.db2.gz XUKZJZHEUNRYJM-VXNVDRBHSA-N -1 3 353.364 0.548 20 5 FCBDHM C[C@@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCS1(=O)=O ZINC001590212980 1283346046 /nfs/dbraw/zinc/34/60/46/1283346046.db2.gz XUKZJZHEUNRYJM-VXNVDRBHSA-N -1 3 353.364 0.548 20 5 FCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1(=O)=O ZINC001590274837 1283401539 /nfs/dbraw/zinc/40/15/39/1283401539.db2.gz QOVHVXNGAJADFD-VIFPVBQESA-N -1 3 352.376 0.788 20 5 FCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1(=O)=O ZINC001590274837 1283401541 /nfs/dbraw/zinc/40/15/41/1283401541.db2.gz QOVHVXNGAJADFD-VIFPVBQESA-N -1 3 352.376 0.788 20 5 FCBDHM C[C@@H]1CO[C@@H](C)CN1CCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590304007 1283444904 /nfs/dbraw/zinc/44/49/04/1283444904.db2.gz KYWTXPRCQVQEOF-ZJUUUORDSA-N -1 3 362.394 0.878 20 5 FCBDHM C[C@@H]1CO[C@@H](C)CN1CCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590304007 1283444908 /nfs/dbraw/zinc/44/49/08/1283444908.db2.gz KYWTXPRCQVQEOF-ZJUUUORDSA-N -1 3 362.394 0.878 20 5 FCBDHM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[C@@H](C)CN1 ZINC001590311662 1283454859 /nfs/dbraw/zinc/45/48/59/1283454859.db2.gz DSPHJLOYXOBYGF-IUCAKERBSA-N -1 3 367.391 0.146 20 5 FCBDHM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@@H](C)CN1 ZINC001590311662 1283454864 /nfs/dbraw/zinc/45/48/64/1283454864.db2.gz DSPHJLOYXOBYGF-IUCAKERBSA-N -1 3 367.391 0.146 20 5 FCBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CCS(=O)(=O)C1 ZINC001590316846 1283459927 /nfs/dbraw/zinc/45/99/27/1283459927.db2.gz WEKLTKZVOSIVQD-QMMMGPOBSA-N -1 3 367.391 0.228 20 5 FCBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CCS(=O)(=O)C1 ZINC001590316846 1283459931 /nfs/dbraw/zinc/45/99/31/1283459931.db2.gz WEKLTKZVOSIVQD-QMMMGPOBSA-N -1 3 367.391 0.228 20 5 FCBDHM CCC(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590366095 1283503759 /nfs/dbraw/zinc/50/37/59/1283503759.db2.gz CSEGWZRSYSUNON-UHFFFAOYSA-N -1 3 374.405 0.423 20 5 FCBDHM CCC(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590366095 1283503769 /nfs/dbraw/zinc/50/37/69/1283503769.db2.gz CSEGWZRSYSUNON-UHFFFAOYSA-N -1 3 374.405 0.423 20 5 FCBDHM CCNC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590742132 1283790398 /nfs/dbraw/zinc/79/03/98/1283790398.db2.gz CKMPCWNTKQKKOI-MRVPVSSYSA-N -1 3 361.366 0.573 20 5 FCBDHM CCNC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590742132 1283790407 /nfs/dbraw/zinc/79/04/07/1283790407.db2.gz CKMPCWNTKQKKOI-MRVPVSSYSA-N -1 3 361.366 0.573 20 5 FCBDHM CCOCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590799550 1283860005 /nfs/dbraw/zinc/86/00/05/1283860005.db2.gz CDOOKKIWXKCFGU-XYPYZODXSA-N -1 3 361.362 0.871 20 5 FCBDHM CCOCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590799550 1283860009 /nfs/dbraw/zinc/86/00/09/1283860009.db2.gz CDOOKKIWXKCFGU-XYPYZODXSA-N -1 3 361.362 0.871 20 5 FCBDHM CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)n1 ZINC001590955542 1284009837 /nfs/dbraw/zinc/00/98/37/1284009837.db2.gz QFTJXJILFMJLOF-GFCCVEGCSA-N -1 3 368.357 0.889 20 5 FCBDHM CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)n1 ZINC001590955542 1284009843 /nfs/dbraw/zinc/00/98/43/1284009843.db2.gz QFTJXJILFMJLOF-GFCCVEGCSA-N -1 3 368.357 0.889 20 5 FCBDHM CN(CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(=O)c1cocn1 ZINC001591104158 1284174764 /nfs/dbraw/zinc/17/47/64/1284174764.db2.gz SBUIYELAZGQLLN-UHFFFAOYSA-N -1 3 358.318 0.947 20 5 FCBDHM CN(CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(=O)c1cocn1 ZINC001591104158 1284174768 /nfs/dbraw/zinc/17/47/68/1284174768.db2.gz SBUIYELAZGQLLN-UHFFFAOYSA-N -1 3 358.318 0.947 20 5 FCBDHM CN(CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)C1=CCOCC1 ZINC001591106056 1284179554 /nfs/dbraw/zinc/17/95/54/1284179554.db2.gz MNFSPGJSMBEYJM-UHFFFAOYSA-N -1 3 373.373 0.992 20 5 FCBDHM CN(CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)C1=CCOCC1 ZINC001591106056 1284179559 /nfs/dbraw/zinc/17/95/59/1284179559.db2.gz MNFSPGJSMBEYJM-UHFFFAOYSA-N -1 3 373.373 0.992 20 5 FCBDHM CN(Cc1ccc(C(N)=O)cc1)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591139571 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Cn1ncc([N+](=O)[O-])c1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001592602095 1285536232 /nfs/dbraw/zinc/53/62/32/1285536232.db2.gz HIIVTQDPYABLKX-UHFFFAOYSA-N -1 3 370.377 0.984 20 5 FCBDHM Cn1ncc2c1ncn(Cc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])c2=O ZINC001592602448 1285536387 /nfs/dbraw/zinc/53/63/87/1285536387.db2.gz QBTICKWEJPJLMK-UHFFFAOYSA-N -1 3 353.302 0.267 20 5 FCBDHM Cn1ncc2c1ncn(Cc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])c2=O ZINC001592602448 1285536399 /nfs/dbraw/zinc/53/63/99/1285536399.db2.gz QBTICKWEJPJLMK-UHFFFAOYSA-N -1 3 353.302 0.267 20 5 FCBDHM NC(=O)NC[C@@H]1CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001592731350 1285640681 /nfs/dbraw/zinc/64/06/81/1285640681.db2.gz QOAGTKLNPWMCRX-QMMMGPOBSA-N -1 3 364.341 0.799 20 5 FCBDHM NC(=O)NC[C@@H]1CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001592731350 1285640689 /nfs/dbraw/zinc/64/06/89/1285640689.db2.gz QOAGTKLNPWMCRX-QMMMGPOBSA-N -1 3 364.341 0.799 20 5 FCBDHM NC(=O)c1cccc(CSc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001592736927 1285652531 /nfs/dbraw/zinc/65/25/31/1285652531.db2.gz WQJMDNQFXQJJGQ-UHFFFAOYSA-N -1 3 358.343 0.956 20 5 FCBDHM NC(=O)c1cccc(CSc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001592736927 1285652540 /nfs/dbraw/zinc/65/25/40/1285652540.db2.gz WQJMDNQFXQJJGQ-UHFFFAOYSA-N -1 3 358.343 0.956 20 5 FCBDHM NS(=O)(=O)CCCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592746701 1285664203 /nfs/dbraw/zinc/66/42/03/1285664203.db2.gz QUULJXWJNXJBGC-UHFFFAOYSA-N -1 3 359.343 0.395 20 5 FCBDHM NS(=O)(=O)CCCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592746701 1285664216 /nfs/dbraw/zinc/66/42/16/1285664216.db2.gz QUULJXWJNXJBGC-UHFFFAOYSA-N -1 3 359.343 0.395 20 5 FCBDHM NS(=O)(=O)C1(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001592747384 1285667075 /nfs/dbraw/zinc/66/70/75/1285667075.db2.gz KHMYYNXFQIJUPY-UHFFFAOYSA-N -1 3 357.327 0.147 20 5 FCBDHM NS(=O)(=O)C1(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001592747384 1285667082 /nfs/dbraw/zinc/66/70/82/1285667082.db2.gz KHMYYNXFQIJUPY-UHFFFAOYSA-N 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ZINC000056033085 488250201 /nfs/dbraw/zinc/25/02/01/488250201.db2.gz YRPHKSLCXJSLPH-UHFFFAOYSA-N -1 3 371.824 0.466 20 5 FCBDHM CC(C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NS(C)(=O)=O ZINC000068940507 488370036 /nfs/dbraw/zinc/37/00/36/488370036.db2.gz RQGMBZPFAMLQJQ-UHFFFAOYSA-N -1 3 351.406 0.201 20 5 FCBDHM CCOCCS(=O)(=O)[N-]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000268159185 488391323 /nfs/dbraw/zinc/39/13/23/488391323.db2.gz WWPXTOKAMWRZRC-UHFFFAOYSA-N -1 3 357.388 0.440 20 5 FCBDHM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000268855166 488453715 /nfs/dbraw/zinc/45/37/15/488453715.db2.gz LJKWWMKYFIBLDX-UHFFFAOYSA-N -1 3 365.433 0.429 20 5 FCBDHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000269096803 488469188 /nfs/dbraw/zinc/46/91/88/488469188.db2.gz JQMUGQDFGVTBFS-AWEZNQCLSA-N -1 3 362.386 0.679 20 5 FCBDHM C[C@@]1(c2cccc(C(=O)NCCn3cc([N+](=O)[O-])cn3)c2)NC(=O)[N-]C1=O ZINC000269128618 488472016 /nfs/dbraw/zinc/47/20/16/488472016.db2.gz HSYXAHYGIQHQPD-INIZCTEOSA-N -1 3 372.341 0.276 20 5 FCBDHM CC(C)[C@H]1NC(=O)N(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000272207094 488568208 /nfs/dbraw/zinc/56/82/08/488568208.db2.gz RJOMBGZBXRDLFB-GFCCVEGCSA-N -1 3 370.387 0.450 20 5 FCBDHM CCC(CC)([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(N)=O ZINC000263968197 488639571 /nfs/dbraw/zinc/63/95/71/488639571.db2.gz AEDAQLZHIIPXOF-UHFFFAOYSA-N -1 3 373.387 0.688 20 5 FCBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCn1ccnc1)OCCO2 ZINC000263973195 488639878 /nfs/dbraw/zinc/63/98/78/488639878.db2.gz CHVOKIWNEFQCQL-UHFFFAOYSA-N -1 3 354.344 0.541 20 5 FCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)[C@H](C)N1CCOCC1 ZINC000264233664 488656839 /nfs/dbraw/zinc/65/68/39/488656839.db2.gz ZBRVXNYKJXITDG-RYUDHWBXSA-N -1 3 373.431 0.991 20 5 FCBDHM C[C@@H](C[S@@](C)=O)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000273544318 488657620 /nfs/dbraw/zinc/65/76/20/488657620.db2.gz LSHGNXMKMKKKTL-QSIZCVBASA-N -1 3 364.401 0.411 20 5 FCBDHM C[C@H](C[S@](C)=O)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000273544316 488657914 /nfs/dbraw/zinc/65/79/14/488657914.db2.gz LSHGNXMKMKKKTL-PJLCYMMNSA-N -1 3 364.401 0.411 20 5 FCBDHM NC(=O)[C@H]1CCCN1CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000264630483 488692625 /nfs/dbraw/zinc/69/26/25/488692625.db2.gz TZKIKJAMAQMUBA-GFCCVEGCSA-N -1 3 356.404 0.213 20 5 FCBDHM CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000264784655 488711360 /nfs/dbraw/zinc/71/13/60/488711360.db2.gz VTHKQZWYQOUUHK-NSHDSACASA-N -1 3 362.839 0.772 20 5 FCBDHM Cc1ccc(NCCCNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)c([N+](=O)[O-])c1 ZINC000266805813 488732505 /nfs/dbraw/zinc/73/25/05/488732505.db2.gz BNLIFDMYCZAFCS-UHFFFAOYSA-N -1 3 362.346 0.919 20 5 FCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000275099650 488761411 /nfs/dbraw/zinc/76/14/11/488761411.db2.gz SUKCIQWYANNUHG-MRVPVSSYSA-N -1 3 362.257 0.944 20 5 FCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CC(=O)N(C(C)C)C1=O ZINC000267157837 488766141 /nfs/dbraw/zinc/76/61/41/488766141.db2.gz PYRBVRXAWGSUNC-JTQLQIEISA-N -1 3 371.371 0.418 20 5 FCBDHM Cc1cc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000275246478 488776802 /nfs/dbraw/zinc/77/68/02/488776802.db2.gz KUABWKJNXKTSAC-UHFFFAOYSA-N -1 3 357.388 0.731 20 5 FCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNS(=O)(=O)CCCF ZINC000267413807 488784579 /nfs/dbraw/zinc/78/45/79/488784579.db2.gz QDGOXHRNVSKPDT-UHFFFAOYSA-N -1 3 369.396 0.152 20 5 FCBDHM CC1CC(NC(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000268067860 488837331 /nfs/dbraw/zinc/83/73/31/488837331.db2.gz VMMMSTJIRYZMKO-UHFFFAOYSA-N -1 3 356.404 0.971 20 5 FCBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268102013 488839933 /nfs/dbraw/zinc/83/99/33/488839933.db2.gz KZEGNNQBJPLVDT-UHFFFAOYSA-N -1 3 367.387 0.265 20 5 FCBDHM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000173456261 488843052 /nfs/dbraw/zinc/84/30/52/488843052.db2.gz UMJVXLYKLOCZNV-GFCCVEGCSA-N -1 3 374.438 0.896 20 5 FCBDHM CS(=O)(=O)C1(C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000280106428 488984920 /nfs/dbraw/zinc/98/49/20/488984920.db2.gz BLCICZYQCJBUAP-UHFFFAOYSA-N -1 3 362.429 0.982 20 5 FCBDHM COC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000280266032 488993857 /nfs/dbraw/zinc/99/38/57/488993857.db2.gz OHKVMWRIUGYSNJ-MRVPVSSYSA-N -1 3 369.193 0.643 20 5 FCBDHM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000280299395 488995970 /nfs/dbraw/zinc/99/59/70/488995970.db2.gz RJCHNKINHJRHOR-UHFFFAOYSA-N -1 3 366.392 0.980 20 5 FCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCn1cc(CO)nn1 ZINC000290209255 489121589 /nfs/dbraw/zinc/12/15/89/489121589.db2.gz NNIJUDLTHOQMID-UHFFFAOYSA-N -1 3 355.376 0.356 20 5 FCBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]CC1(OCCO)CCOCC1 ZINC000281970612 489121709 /nfs/dbraw/zinc/12/17/09/489121709.db2.gz JZRNCMMLSYWNPZ-UHFFFAOYSA-N -1 3 374.415 0.572 20 5 FCBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2([S@@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282604602 489177839 /nfs/dbraw/zinc/17/78/39/489177839.db2.gz RBCSDTYRFHUOGQ-JOCHJYFZSA-N -1 3 366.392 0.932 20 5 FCBDHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CCn1cc([N+](=O)[O-])cn1 ZINC000570416118 491239473 /nfs/dbraw/zinc/23/94/73/491239473.db2.gz MUNLVLSYVVTROE-UHFFFAOYSA-N -1 3 372.334 0.696 20 5 FCBDHM CNC(=O)c1nn[n-]c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000297856394 489252673 /nfs/dbraw/zinc/25/26/73/489252673.db2.gz YBZRIRKSRYJUMQ-UHFFFAOYSA-N -1 3 373.373 0.928 20 5 FCBDHM CNC(=O)c1[n-]nnc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000297856394 489252676 /nfs/dbraw/zinc/25/26/76/489252676.db2.gz YBZRIRKSRYJUMQ-UHFFFAOYSA-N -1 3 373.373 0.928 20 5 FCBDHM CNC(=O)c1n[n-]nc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000297856394 489252678 /nfs/dbraw/zinc/25/26/78/489252678.db2.gz YBZRIRKSRYJUMQ-UHFFFAOYSA-N -1 3 373.373 0.928 20 5 FCBDHM CCn1c(=O)[n-]nc1S(=O)(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283724836 489296169 /nfs/dbraw/zinc/29/61/69/489296169.db2.gz BQIYYCQJWSECIM-UHFFFAOYSA-N -1 3 369.359 0.714 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000298770023 489363078 /nfs/dbraw/zinc/36/30/78/489363078.db2.gz RVJHQYXLAUMTPV-UHFFFAOYSA-N -1 3 359.342 0.482 20 5 FCBDHM CCN(CCO)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286573450 489405495 /nfs/dbraw/zinc/40/54/95/489405495.db2.gz WBQKAMWSKDGDTR-UHFFFAOYSA-N -1 3 369.802 0.980 20 5 FCBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000298862099 489375076 /nfs/dbraw/zinc/37/50/76/489375076.db2.gz PJOMMARFVSKBRV-NSHDSACASA-N -1 3 359.404 0.602 20 5 FCBDHM CO[C@@H]1CCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000456201838 489609630 /nfs/dbraw/zinc/60/96/30/489609630.db2.gz XOFBRUZQDUUKON-ZYHUDNBSSA-N -1 3 357.388 0.557 20 5 FCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)Cn2ccnn2)c(Cl)c1 ZINC000416566357 489610181 /nfs/dbraw/zinc/61/01/81/489610181.db2.gz UQOKAJIBXSKGGT-SECBINFHSA-N -1 3 361.767 0.179 20 5 FCBDHM CCS(=O)(=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416615849 489618009 /nfs/dbraw/zinc/61/80/09/489618009.db2.gz BFKKVXBZXAZZBD-UHFFFAOYSA-N -1 3 354.381 0.837 20 5 FCBDHM C[C@H]1CC[C@H](CNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])O1 ZINC000457376111 489645469 /nfs/dbraw/zinc/64/54/69/489645469.db2.gz RZMGSOMWNCQAAU-WDEREUQCSA-N -1 3 357.388 0.557 20 5 FCBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1 ZINC000489573492 489718254 /nfs/dbraw/zinc/71/82/54/489718254.db2.gz VFIXONLVMSDKHI-QMMMGPOBSA-N -1 3 354.793 0.714 20 5 FCBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1 ZINC000489573490 489718705 /nfs/dbraw/zinc/71/87/05/489718705.db2.gz VFIXONLVMSDKHI-MRVPVSSYSA-N -1 3 354.793 0.714 20 5 FCBDHM CCOC[C@H](O)C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491593878 489809437 /nfs/dbraw/zinc/80/94/37/489809437.db2.gz KJGPQZTVZCIJEE-MRVPVSSYSA-N -1 3 352.340 0.418 20 5 FCBDHM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000460478402 489867903 /nfs/dbraw/zinc/86/79/03/489867903.db2.gz FDANTJVTDOPPMT-CYBMUJFWSA-N -1 3 362.360 0.196 20 5 FCBDHM O=C(CCOCC1CC1)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000434128157 489913305 /nfs/dbraw/zinc/91/33/05/489913305.db2.gz LAHSQMXVCWFBMT-UHFFFAOYSA-N -1 3 371.415 0.806 20 5 FCBDHM O=C(Nc1cccc(CN2CCNC(=O)C2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000462999938 489999823 /nfs/dbraw/zinc/99/98/23/489999823.db2.gz ATKRCIZXJSVISZ-UHFFFAOYSA-N -1 3 371.353 0.880 20 5 FCBDHM COCC(C)(C)NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000465188151 490091189 /nfs/dbraw/zinc/09/11/89/490091189.db2.gz WLHUOCIVJUUISW-UHFFFAOYSA-N -1 3 374.419 0.597 20 5 FCBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)S(C)(=O)=O ZINC000532829275 490126556 /nfs/dbraw/zinc/12/65/56/490126556.db2.gz VPAIKWSEIQDKKN-SSDOTTSWSA-N -1 3 356.809 0.960 20 5 FCBDHM Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000533013783 490157934 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ZINC001590105636 1283218963 /nfs/dbraw/zinc/21/89/63/1283218963.db2.gz FJNYJIYYYPNJRU-UHFFFAOYSA-N -1 3 367.391 0.147 20 5 FCBDHM C[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CS1(=O)=O ZINC001590239017 1283374774 /nfs/dbraw/zinc/37/47/74/1283374774.db2.gz KCZCYTPPILFOFA-HTQZYQBOSA-N -1 3 353.364 0.548 20 5 FCBDHM C[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CS1(=O)=O ZINC001590239017 1283374788 /nfs/dbraw/zinc/37/47/88/1283374788.db2.gz KCZCYTPPILFOFA-HTQZYQBOSA-N -1 3 353.364 0.548 20 5 FCBDHM CC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC001590523756 1283586392 /nfs/dbraw/zinc/58/63/92/1283586392.db2.gz LILBZOQPFBXLTN-NHYWBVRUSA-N -1 3 361.362 0.944 20 5 FCBDHM CC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC001590523756 1283586397 /nfs/dbraw/zinc/58/63/97/1283586397.db2.gz LILBZOQPFBXLTN-NHYWBVRUSA-N -1 3 361.362 0.944 20 5 FCBDHM CCN(CCS(C)(=O)=O)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590715217 1283749577 /nfs/dbraw/zinc/74/95/77/1283749577.db2.gz OSJVZPOWKYMCGK-UHFFFAOYSA-N -1 3 354.392 0.641 20 5 FCBDHM CCN(CCS(C)(=O)=O)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590715217 1283749583 /nfs/dbraw/zinc/74/95/83/1283749583.db2.gz OSJVZPOWKYMCGK-UHFFFAOYSA-N -1 3 354.392 0.641 20 5 FCBDHM CCOC(=O)[C@@H](F)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590754487 1283813994 /nfs/dbraw/zinc/81/39/94/1283813994.db2.gz VNFSGXRYHVCCTJ-KCJUWKMLSA-N -1 3 365.325 0.897 20 5 FCBDHM CCOC(=O)[C@@H](F)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590754487 1283813999 /nfs/dbraw/zinc/81/39/99/1283813999.db2.gz VNFSGXRYHVCCTJ-KCJUWKMLSA-N -1 3 365.325 0.897 20 5 FCBDHM CCS(=O)(=O)NCCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590847524 1283925625 /nfs/dbraw/zinc/92/56/25/1283925625.db2.gz VAQSENJJDWKSCL-UHFFFAOYSA-N -1 3 355.380 0.516 20 5 FCBDHM CN(C)C(=O)N(C)[C@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001591002442 1284061270 /nfs/dbraw/zinc/06/12/70/1284061270.db2.gz ASDNGDIBBGMNCE-JTQLQIEISA-N -1 3 360.378 0.967 20 5 FCBDHM CN(C)C(=O)N(C)[C@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001591002442 1284061278 /nfs/dbraw/zinc/06/12/78/1284061278.db2.gz ASDNGDIBBGMNCE-JTQLQIEISA-N -1 3 360.378 0.967 20 5 FCBDHM CN(C)C(=O)N(C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591003207 1284061624 /nfs/dbraw/zinc/06/16/24/1284061624.db2.gz MQPHXAWLKICNFS-NSHDSACASA-N -1 3 360.378 0.967 20 5 FCBDHM CN(C)C(=O)N(C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591003207 1284061633 /nfs/dbraw/zinc/06/16/33/1284061633.db2.gz MQPHXAWLKICNFS-NSHDSACASA-N -1 3 360.378 0.967 20 5 FCBDHM CN(CC1(O)CCOCC1)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591050786 1284109151 /nfs/dbraw/zinc/10/91/51/1284109151.db2.gz PVPLBRCTGWEVKR-UHFFFAOYSA-N -1 3 352.326 0.892 20 5 FCBDHM CN(CC1(O)CCOCC1)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591050786 1284109154 /nfs/dbraw/zinc/10/91/54/1284109154.db2.gz PVPLBRCTGWEVKR-UHFFFAOYSA-N -1 3 352.326 0.892 20 5 FCBDHM CN(Cc1c[nH]cn1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591127128 1284200890 /nfs/dbraw/zinc/20/08/90/1284200890.db2.gz YYLCYIKOADUDSQ-UHFFFAOYSA-N -1 3 364.347 0.319 20 5 FCBDHM CN(Cc1c[nH]cn1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591127128 1284200898 /nfs/dbraw/zinc/20/08/98/1284200898.db2.gz YYLCYIKOADUDSQ-UHFFFAOYSA-N -1 3 364.347 0.319 20 5 FCBDHM CNC(=O)Cn1nc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1C ZINC001591209858 1284340659 /nfs/dbraw/zinc/34/06/59/1284340659.db2.gz XQRRVDVTDOHHMD-UHFFFAOYSA-N -1 3 357.334 0.769 20 5 FCBDHM CNC(=O)Cn1nc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1C ZINC001591209858 1284340667 /nfs/dbraw/zinc/34/06/67/1284340667.db2.gz XQRRVDVTDOHHMD-UHFFFAOYSA-N -1 3 357.334 0.769 20 5 FCBDHM COC(=O)[C@@H](NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccnn1C ZINC001591235685 1284381709 /nfs/dbraw/zinc/38/17/09/1284381709.db2.gz VVFIPFPSYBXZPG-ZDUSSCGKSA-N -1 3 372.345 0.512 20 5 FCBDHM COC(=O)[C@@H](NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccnn1C ZINC001591235685 1284381712 /nfs/dbraw/zinc/38/17/12/1284381712.db2.gz VVFIPFPSYBXZPG-ZDUSSCGKSA-N -1 3 372.345 0.512 20 5 FCBDHM COC(=O)C1=NO[C@]2(CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)C1 ZINC001591248028 1284401321 /nfs/dbraw/zinc/40/13/21/1284401321.db2.gz YDNAIBLSBUIWJA-OAHLLOKOSA-N -1 3 373.329 0.673 20 5 FCBDHM COC(=O)C1=NO[C@]2(CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)C1 ZINC001591248028 1284401334 /nfs/dbraw/zinc/40/13/34/1284401334.db2.gz YDNAIBLSBUIWJA-OAHLLOKOSA-N -1 3 373.329 0.673 20 5 FCBDHM COC(=O)[C@H]1C[C@H](O)CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591250287 1284407071 /nfs/dbraw/zinc/40/70/71/1284407071.db2.gz LYPLKRAEISMDBE-RYUDHWBXSA-N -1 3 362.346 0.131 20 5 FCBDHM COC(=O)[C@H]1C[C@H](O)CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591250287 1284407077 /nfs/dbraw/zinc/40/70/77/1284407077.db2.gz LYPLKRAEISMDBE-RYUDHWBXSA-N -1 3 362.346 0.131 20 5 FCBDHM CO[C@@H](C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1cnn(C)c1 ZINC001591315144 1284464752 /nfs/dbraw/zinc/46/47/52/1284464752.db2.gz FTGGPMPCOOCTNX-CYBMUJFWSA-N -1 3 373.329 0.939 20 5 FCBDHM CO[C@@H](C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1cnn(C)c1 ZINC001591315144 1284464756 /nfs/dbraw/zinc/46/47/56/1284464756.db2.gz FTGGPMPCOOCTNX-CYBMUJFWSA-N -1 3 373.329 0.939 20 5 FCBDHM CN(C)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604668316 1287719245 /nfs/dbraw/zinc/71/92/45/1287719245.db2.gz LUZNCPCRPYHPQK-NSHDSACASA-N -1 3 360.378 0.967 20 5 FCBDHM CN(C)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604668316 1287719254 /nfs/dbraw/zinc/71/92/54/1287719254.db2.gz LUZNCPCRPYHPQK-NSHDSACASA-N -1 3 360.378 0.967 20 5 FCBDHM COCCOCCN(CCO)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591438830 1284594604 /nfs/dbraw/zinc/59/46/04/1284594604.db2.gz FFCWBXKTMMVSBV-UHFFFAOYSA-N -1 3 352.351 0.237 20 5 FCBDHM COCCOCCN(CCO)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591438830 1284594609 /nfs/dbraw/zinc/59/46/09/1284594609.db2.gz FFCWBXKTMMVSBV-UHFFFAOYSA-N -1 3 352.351 0.237 20 5 FCBDHM COCc1nc2n(n1)C[C@@H](Nc1cc(-c3nnn[n-]3)ccc1[N+](=O)[O-])CC2 ZINC001591461206 1284627767 /nfs/dbraw/zinc/62/77/67/1284627767.db2.gz XFAIMICICDQLKK-JTQLQIEISA-N -1 3 371.361 0.940 20 5 FCBDHM COCc1nc2n(n1)C[C@@H](Nc1cc(-c3nn[n-]n3)ccc1[N+](=O)[O-])CC2 ZINC001591461206 1284627778 /nfs/dbraw/zinc/62/77/78/1284627778.db2.gz XFAIMICICDQLKK-JTQLQIEISA-N -1 3 371.361 0.940 20 5 FCBDHM CS(=O)(=O)C[C@@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001591670964 1284801635 /nfs/dbraw/zinc/80/16/35/1284801635.db2.gz ATKFMMDLBNJENU-SECBINFHSA-N -1 3 352.376 0.646 20 5 FCBDHM CS(=O)(=O)C[C@@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001591670964 1284801637 /nfs/dbraw/zinc/80/16/37/1284801637.db2.gz ATKFMMDLBNJENU-SECBINFHSA-N -1 3 352.376 0.646 20 5 FCBDHM CS(=O)(=O)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591674436 1284811506 /nfs/dbraw/zinc/81/15/06/1284811506.db2.gz WRKFZPUOADEOCG-SNVBAGLBSA-N -1 3 352.376 0.788 20 5 FCBDHM CS(=O)(=O)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591674436 1284811510 /nfs/dbraw/zinc/81/15/10/1284811510.db2.gz WRKFZPUOADEOCG-SNVBAGLBSA-N -1 3 352.376 0.788 20 5 FCBDHM CS(=O)(=O)NC1CC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001591678655 1284816770 /nfs/dbraw/zinc/81/67/70/1284816770.db2.gz IHQPLLJRSYBHNQ-UHFFFAOYSA-N -1 3 353.364 0.267 20 5 FCBDHM CS(=O)(=O)NC[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591678788 1284819257 /nfs/dbraw/zinc/81/92/57/1284819257.db2.gz WVPGJGOFRDJQOC-SECBINFHSA-N -1 3 367.391 0.150 20 5 FCBDHM CS(=O)(=O)NC[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591678788 1284819266 /nfs/dbraw/zinc/81/92/66/1284819266.db2.gz WVPGJGOFRDJQOC-SECBINFHSA-N -1 3 367.391 0.150 20 5 FCBDHM CS(=O)(=O)N1CC(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001591680467 1284822247 /nfs/dbraw/zinc/82/22/47/1284822247.db2.gz NYYFHRDZTOOYCD-UHFFFAOYSA-N -1 3 353.364 0.078 20 5 FCBDHM CS(=O)(=O)N1CC(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001591680467 1284822260 /nfs/dbraw/zinc/82/22/60/1284822260.db2.gz NYYFHRDZTOOYCD-UHFFFAOYSA-N -1 3 353.364 0.078 20 5 FCBDHM C[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC001591774128 1284895721 /nfs/dbraw/zinc/89/57/21/1284895721.db2.gz VLXKFOIFUXJXHH-VIFPVBQESA-N -1 3 367.391 0.245 20 5 FCBDHM C[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC001591774128 1284895726 /nfs/dbraw/zinc/89/57/26/1284895726.db2.gz VLXKFOIFUXJXHH-VIFPVBQESA-N -1 3 367.391 0.245 20 5 FCBDHM Cc1cc(C(=O)NCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n(C)n1 ZINC001591927006 1285010435 /nfs/dbraw/zinc/01/04/35/1285010435.db2.gz HEJCUKDDYSBTHM-UHFFFAOYSA-N -1 3 371.361 0.659 20 5 FCBDHM Cc1cc(C(=O)NCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n(C)n1 ZINC001591927006 1285010445 /nfs/dbraw/zinc/01/04/45/1285010445.db2.gz HEJCUKDDYSBTHM-UHFFFAOYSA-N -1 3 371.361 0.659 20 5 FCBDHM Cc1cc(N2CC(n3cc([C@H](C)O)nn3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592001464 1285051893 /nfs/dbraw/zinc/05/18/93/1285051893.db2.gz XMHGLDCQCLSREE-VIFPVBQESA-N -1 3 371.361 0.789 20 5 FCBDHM Cc1cc(N2CC(n3cc([C@H](C)O)nn3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592001464 1285051899 /nfs/dbraw/zinc/05/18/99/1285051899.db2.gz XMHGLDCQCLSREE-VIFPVBQESA-N -1 3 371.361 0.789 20 5 FCBDHM Cc1cc(N2CCS(=O)(=O)[C@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592008602 1285058047 /nfs/dbraw/zinc/05/80/47/1285058047.db2.gz KNBFHVYJMOXPJW-SECBINFHSA-N -1 3 352.376 0.707 20 5 FCBDHM Cc1cc(N2CCS(=O)(=O)[C@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592008602 1285058057 /nfs/dbraw/zinc/05/80/57/1285058057.db2.gz KNBFHVYJMOXPJW-SECBINFHSA-N -1 3 352.376 0.707 20 5 FCBDHM Cc1cc(NCCCN(C)S(C)(=O)=O)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592046952 1285088229 /nfs/dbraw/zinc/08/82/29/1285088229.db2.gz FZNYRSIFQVBVGS-UHFFFAOYSA-N -1 3 369.407 0.777 20 5 FCBDHM Cc1cc(NCCCN(C)S(C)(=O)=O)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592046952 1285088234 /nfs/dbraw/zinc/08/82/34/1285088234.db2.gz FZNYRSIFQVBVGS-UHFFFAOYSA-N -1 3 369.407 0.777 20 5 FCBDHM Cc1cc(OCC(=O)Nc2ccncc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592059453 1285099576 /nfs/dbraw/zinc/09/95/76/1285099576.db2.gz OCCMZABALKSHRK-UHFFFAOYSA-N -1 3 355.314 0.918 20 5 FCBDHM Cc1cc(OCC(=O)Nc2ccncc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592059453 1285099581 /nfs/dbraw/zinc/09/95/81/1285099581.db2.gz OCCMZABALKSHRK-UHFFFAOYSA-N -1 3 355.314 0.918 20 5 FCBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)n2ncc(-c3nnn[n-]3)c2N)c1F ZINC001592068586 1285107567 /nfs/dbraw/zinc/10/75/67/1285107567.db2.gz MZZVNTGYCXWEOZ-UHFFFAOYSA-N -1 3 350.245 0.829 20 5 FCBDHM CCS(=O)(=O)N(C)CCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609247708 1289018393 /nfs/dbraw/zinc/01/83/93/1289018393.db2.gz SEZIIEQHLJBCLE-UHFFFAOYSA-N -1 3 369.407 0.858 20 5 FCBDHM CN(CCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)c1cnon1 ZINC001604760751 1287767700 /nfs/dbraw/zinc/76/77/00/1287767700.db2.gz DBBNUECEBBKKSD-UHFFFAOYSA-N -1 3 373.333 0.366 20 5 FCBDHM CN(CCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)c1cnon1 ZINC001604760751 1287767708 /nfs/dbraw/zinc/76/77/08/1287767708.db2.gz DBBNUECEBBKKSD-UHFFFAOYSA-N -1 3 373.333 0.366 20 5 FCBDHM CCS(=O)(=O)N(C)CCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609247708 1289018399 /nfs/dbraw/zinc/01/83/99/1289018399.db2.gz SEZIIEQHLJBCLE-UHFFFAOYSA-N -1 3 369.407 0.858 20 5 FCBDHM Cc1ccnc(C(=O)NCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001592269121 1285211572 /nfs/dbraw/zinc/21/15/72/1285211572.db2.gz FBDSQWZKWDDBTJ-UHFFFAOYSA-N -1 3 369.345 0.715 20 5 FCBDHM Cc1ccnc(C(=O)NCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001592269121 1285211582 /nfs/dbraw/zinc/21/15/82/1285211582.db2.gz FBDSQWZKWDDBTJ-UHFFFAOYSA-N -1 3 369.345 0.715 20 5 FCBDHM Cc1cnc(NCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c([N+](=O)[O-])c1 ZINC001592294149 1285220667 /nfs/dbraw/zinc/22/06/67/1285220667.db2.gz ZCLKGGPBABJFHC-UHFFFAOYSA-N -1 3 357.334 0.648 20 5 FCBDHM Cc1cnc(NCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c([N+](=O)[O-])c1 ZINC001592294149 1285220675 /nfs/dbraw/zinc/22/06/75/1285220675.db2.gz ZCLKGGPBABJFHC-UHFFFAOYSA-N -1 3 357.334 0.648 20 5 FCBDHM CN(CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(=O)Cc1ncc[nH]1 ZINC001604771804 1287773483 /nfs/dbraw/zinc/77/34/83/1287773483.db2.gz WVLMYROHNITWEN-UHFFFAOYSA-N -1 3 371.361 0.611 20 5 FCBDHM CN(CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(=O)Cc1ncc[nH]1 ZINC001604771804 1287773489 /nfs/dbraw/zinc/77/34/89/1287773489.db2.gz WVLMYROHNITWEN-UHFFFAOYSA-N -1 3 371.361 0.611 20 5 FCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001592399693 1285310795 /nfs/dbraw/zinc/31/07/95/1285310795.db2.gz QKHKVMMACUEPOV-UHFFFAOYSA-N -1 3 354.330 0.822 20 5 FCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001592399693 1285310803 /nfs/dbraw/zinc/31/08/03/1285310803.db2.gz QKHKVMMACUEPOV-UHFFFAOYSA-N -1 3 354.330 0.822 20 5 FCBDHM Cn1cc([N+](=O)[O-])c(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC001592577712 1285496844 /nfs/dbraw/zinc/49/68/44/1285496844.db2.gz PCGAEIOXNYNGSO-UHFFFAOYSA-N -1 3 373.352 0.974 20 5 FCBDHM Cn1ccc(C(=O)NCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001592579583 1285501076 /nfs/dbraw/zinc/50/10/76/1285501076.db2.gz PMYGXYIZGFQXBY-UHFFFAOYSA-N -1 3 357.334 0.350 20 5 FCBDHM Cn1ccc(C(=O)NCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001592579583 1285501086 /nfs/dbraw/zinc/50/10/86/1285501086.db2.gz PMYGXYIZGFQXBY-UHFFFAOYSA-N -1 3 357.334 0.350 20 5 FCBDHM Cn1cnnc1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001592591049 1285524439 /nfs/dbraw/zinc/52/44/39/1285524439.db2.gz JUVDXUHTZUWGPK-SECBINFHSA-N -1 3 370.377 0.870 20 5 FCBDHM Cn1cnnc1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001592591049 1285524445 /nfs/dbraw/zinc/52/44/45/1285524445.db2.gz JUVDXUHTZUWGPK-SECBINFHSA-N -1 3 370.377 0.870 20 5 FCBDHM NC(=O)[C@H](F)C1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001592715862 1285605302 /nfs/dbraw/zinc/60/53/02/1285605302.db2.gz OCDDEWXEHPMDOL-GFCCVEGCSA-N -1 3 367.316 0.954 20 5 FCBDHM 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ZINC001592927452 1285816217 /nfs/dbraw/zinc/81/62/17/1285816217.db2.gz KXVKHORUYZGWMF-UHFFFAOYSA-N -1 3 357.334 0.269 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC001592937657 1285828016 /nfs/dbraw/zinc/82/80/16/1285828016.db2.gz KFZHYYBMDURPJU-UHFFFAOYSA-N -1 3 374.288 0.819 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC001592937657 1285828021 /nfs/dbraw/zinc/82/80/21/1285828021.db2.gz KFZHYYBMDURPJU-UHFFFAOYSA-N -1 3 374.288 0.819 20 5 FCBDHM O=C(NCC1(Nc2ncccc2[N+](=O)[O-])CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001593020258 1285899979 /nfs/dbraw/zinc/89/99/79/1285899979.db2.gz AECVCNFTOQMBTC-UHFFFAOYSA-N -1 3 369.345 0.873 20 5 FCBDHM O=C(NCC1(Nc2ncccc2[N+](=O)[O-])CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001593020258 1285899981 /nfs/dbraw/zinc/89/99/81/1285899981.db2.gz AECVCNFTOQMBTC-UHFFFAOYSA-N -1 3 369.345 0.873 20 5 FCBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001609279448 1289042343 /nfs/dbraw/zinc/04/23/43/1289042343.db2.gz LBDJZGAOZWXRBS-UHFFFAOYSA-N -1 3 369.341 0.595 20 5 FCBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001609279448 1289042344 /nfs/dbraw/zinc/04/23/44/1289042344.db2.gz LBDJZGAOZWXRBS-UHFFFAOYSA-N -1 3 369.341 0.595 20 5 FCBDHM CN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001609281473 1289043505 /nfs/dbraw/zinc/04/35/05/1289043505.db2.gz HOZPKSAHMMPSNH-JTQLQIEISA-N -1 3 367.391 0.245 20 5 FCBDHM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cnccc1-c1nnn[n-]1 ZINC001593152880 1286022997 /nfs/dbraw/zinc/02/29/97/1286022997.db2.gz NTFGJWHVGZPFAK-UHFFFAOYSA-N -1 3 365.313 0.976 20 5 FCBDHM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cnccc1-c1nn[n-]n1 ZINC001593152880 1286023002 /nfs/dbraw/zinc/02/30/02/1286023002.db2.gz NTFGJWHVGZPFAK-UHFFFAOYSA-N -1 3 365.313 0.976 20 5 FCBDHM O=C1NCC2(CCOCC2)[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001593404546 1286126238 /nfs/dbraw/zinc/12/62/38/1286126238.db2.gz 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O=[N+]([O-])c1cn(Cc2ncc(-c3nnn[n-]3)cn2)c(Br)n1 ZINC001593486212 1286173968 /nfs/dbraw/zinc/17/39/68/1286173968.db2.gz MWUMJKLTHJSHPW-UHFFFAOYSA-N -1 3 352.112 0.572 20 5 FCBDHM O=[N+]([O-])c1cn(Cc2ncc(-c3nn[n-]n3)cn2)c(Br)n1 ZINC001593486212 1286173971 /nfs/dbraw/zinc/17/39/71/1286173971.db2.gz MWUMJKLTHJSHPW-UHFFFAOYSA-N -1 3 352.112 0.572 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3C[C@@H](O)[C@@H](O)C3)cc(-c3nnn[n-]3)c2c1 ZINC001593480875 1286174449 /nfs/dbraw/zinc/17/44/49/1286174449.db2.gz RREGFKOGDSIUQK-XCDGKNNNSA-N -1 3 357.330 0.619 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3C[C@@H](O)[C@@H](O)C3)cc(-c3nn[n-]n3)c2c1 ZINC001593480875 1286174452 /nfs/dbraw/zinc/17/44/52/1286174452.db2.gz RREGFKOGDSIUQK-XCDGKNNNSA-N -1 3 357.330 0.619 20 5 FCBDHM O=[N+]([O-])c1ccnn1CN1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001593486722 1286176022 /nfs/dbraw/zinc/17/60/22/1286176022.db2.gz JBQUKTYEMZKTOF-UHFFFAOYSA-N -1 3 361.391 0.813 20 5 FCBDHM O=c1c2ccccc2n(Cc2ncc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC001593493472 1286179942 /nfs/dbraw/zinc/17/99/42/1286179942.db2.gz LHVVMTNUINBROS-UHFFFAOYSA-N -1 3 350.298 0.928 20 5 FCBDHM O=c1c2ccccc2n(Cc2ncc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC001593493472 1286179944 /nfs/dbraw/zinc/17/99/44/1286179944.db2.gz LHVVMTNUINBROS-UHFFFAOYSA-N -1 3 350.298 0.928 20 5 FCBDHM COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001609304029 1289076364 /nfs/dbraw/zinc/07/63/64/1289076364.db2.gz BCTYAOCNAVDEAP-UHFFFAOYSA-N -1 3 356.302 0.964 20 5 FCBDHM COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001609304029 1289076368 /nfs/dbraw/zinc/07/63/68/1289076368.db2.gz BCTYAOCNAVDEAP-UHFFFAOYSA-N -1 3 356.302 0.964 20 5 FCBDHM CS(=O)(=O)NC1CC(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001609367825 1289123258 /nfs/dbraw/zinc/12/32/58/1289123258.db2.gz WBAGXJPFBFWXTO-UHFFFAOYSA-N -1 3 353.364 0.267 20 5 FCBDHM CS(=O)(=O)NC1CC(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001609367825 1289123260 /nfs/dbraw/zinc/12/32/60/1289123260.db2.gz 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356.350 0.682 20 5 FCBDHM Cn1nnnc1C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001592613361 1285557770 /nfs/dbraw/zinc/55/77/70/1285557770.db2.gz UDLTUMDVGGHTEI-UHFFFAOYSA-N -1 3 356.350 0.682 20 5 FCBDHM NC(=O)c1cccc(CCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001592736827 1285650801 /nfs/dbraw/zinc/65/08/01/1285650801.db2.gz IWVDYHUVDJILDG-UHFFFAOYSA-N -1 3 354.330 0.923 20 5 FCBDHM NC(=O)c1cccc(CCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001592736827 1285650804 /nfs/dbraw/zinc/65/08/04/1285650804.db2.gz IWVDYHUVDJILDG-UHFFFAOYSA-N -1 3 354.330 0.923 20 5 FCBDHM NS(=O)(=O)C[C@H]1CCCN1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592746723 1285665151 /nfs/dbraw/zinc/66/51/51/1285665151.db2.gz CALBMZHTHOMCMT-SECBINFHSA-N -1 3 367.391 0.028 20 5 FCBDHM NS(=O)(=O)C[C@H]1CCCN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592746723 1285665156 /nfs/dbraw/zinc/66/51/56/1285665156.db2.gz CALBMZHTHOMCMT-SECBINFHSA-N -1 3 367.391 0.028 20 5 FCBDHM NS(=O)(=O)[C@H]1CCCN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001592747241 1285667053 /nfs/dbraw/zinc/66/70/53/1285667053.db2.gz WXIJLYHWAWAOOG-VIFPVBQESA-N -1 3 367.391 0.028 20 5 FCBDHM NS(=O)(=O)[C@H]1CCCN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001592747241 1285667061 /nfs/dbraw/zinc/66/70/61/1285667061.db2.gz WXIJLYHWAWAOOG-VIFPVBQESA-N -1 3 367.391 0.028 20 5 FCBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001592884143 1285790240 /nfs/dbraw/zinc/79/02/40/1285790240.db2.gz WHGKYQSRSZETPG-UHFFFAOYSA-N -1 3 372.297 0.841 20 5 FCBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001592884143 1285790252 /nfs/dbraw/zinc/79/02/52/1285790252.db2.gz WHGKYQSRSZETPG-UHFFFAOYSA-N -1 3 372.297 0.841 20 5 FCBDHM O=C(NCC=CCNc1ncccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)[nH]1 ZINC001593056079 1285950495 /nfs/dbraw/zinc/95/04/95/1285950495.db2.gz PKLRYJFRFPPEEC-OWOJBTEDSA-N -1 3 369.345 0.896 20 5 FCBDHM O=C(NCC=CCNc1ncccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)[nH]1 ZINC001593056079 1285950499 /nfs/dbraw/zinc/95/04/99/1285950499.db2.gz PKLRYJFRFPPEEC-OWOJBTEDSA-N -1 3 369.345 0.896 20 5 FCBDHM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001593293803 1286068058 /nfs/dbraw/zinc/06/80/58/1286068058.db2.gz VULZVURXZNLVKS-UHFFFAOYSA-N -1 3 374.288 0.933 20 5 FCBDHM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001593293803 1286068059 /nfs/dbraw/zinc/06/80/59/1286068059.db2.gz VULZVURXZNLVKS-UHFFFAOYSA-N -1 3 374.288 0.933 20 5 FCBDHM O=C1NCCN1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001593406879 1286130912 /nfs/dbraw/zinc/13/09/12/1286130912.db2.gz CBCXGOVWPQYURE-LLVKDONJSA-N -1 3 358.362 0.769 20 5 FCBDHM O=C1NCCN1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001593406879 1286130916 /nfs/dbraw/zinc/13/09/16/1286130916.db2.gz CBCXGOVWPQYURE-LLVKDONJSA-N -1 3 358.362 0.769 20 5 FCBDHM O=C1N[C@@H]2CN(c3cc(F)c(-c4nnn[n-]4)cc3[N+](=O)[O-])CC[C@H]2CO1 ZINC001593410101 1286134164 /nfs/dbraw/zinc/13/41/64/1286134164.db2.gz BZADMMVGHOOUHI-OIBJUYFYSA-N -1 3 363.309 0.849 20 5 FCBDHM O=C1N[C@@H]2CN(c3cc(F)c(-c4nn[n-]n4)cc3[N+](=O)[O-])CC[C@H]2CO1 ZINC001593410101 1286134169 /nfs/dbraw/zinc/13/41/69/1286134169.db2.gz BZADMMVGHOOUHI-OIBJUYFYSA-N -1 3 363.309 0.849 20 5 FCBDHM O=C1OCC[C@@H]1N1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001593414532 1286137324 /nfs/dbraw/zinc/13/73/24/1286137324.db2.gz JLNZATLGFFIDSS-AWEZNQCLSA-N -1 3 373.373 0.967 20 5 FCBDHM O=C1OCC[C@@H]1N1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001593414532 1286137328 /nfs/dbraw/zinc/13/73/28/1286137328.db2.gz JLNZATLGFFIDSS-AWEZNQCLSA-N -1 3 373.373 0.967 20 5 FCBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](N2CCOCC2)CC1 ZINC001593465938 1286170965 /nfs/dbraw/zinc/17/09/65/1286170965.db2.gz JXJJLVHFJHHRFP-LBPRGKRZSA-N -1 3 374.405 0.861 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1C[C@H](O)CC2(CCOCC2)C1 ZINC001593470919 1286172476 /nfs/dbraw/zinc/17/24/76/1286172476.db2.gz QOULLYWLYWGECP-LLVKDONJSA-N -1 3 361.362 0.538 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1C[C@H](O)CC2(CCOCC2)C1 ZINC001593470919 1286172481 /nfs/dbraw/zinc/17/24/81/1286172481.db2.gz QOULLYWLYWGECP-LLVKDONJSA-N -1 3 361.362 0.538 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCN(c2nc[nH]n2)CC1 ZINC001593469205 1286172793 /nfs/dbraw/zinc/17/27/93/1286172793.db2.gz SWCFGPHYRHMKMO-UHFFFAOYSA-N -1 3 360.313 0.359 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCN(c2nc[nH]n2)CC1 ZINC001593469205 1286172796 /nfs/dbraw/zinc/17/27/96/1286172796.db2.gz SWCFGPHYRHMKMO-UHFFFAOYSA-N -1 3 360.313 0.359 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCN(c2ccccn2)CC1 ZINC001593470208 1286172807 /nfs/dbraw/zinc/17/28/07/1286172807.db2.gz KQJJCESKHRDZRZ-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCN(c2ccccn2)CC1 ZINC001593470208 1286172812 /nfs/dbraw/zinc/17/28/12/1286172812.db2.gz KQJJCESKHRDZRZ-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC2(CC1)C[C@@H](O)CCO2 ZINC001593471875 1286172877 /nfs/dbraw/zinc/17/28/77/1286172877.db2.gz ZURVGQGNVONWDL-NSHDSACASA-N -1 3 361.362 0.680 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC2(CC1)C[C@@H](O)CCO2 ZINC001593471875 1286172880 /nfs/dbraw/zinc/17/28/80/1286172880.db2.gz ZURVGQGNVONWDL-NSHDSACASA-N -1 3 361.362 0.680 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCN(CC(F)(F)F)CC1 ZINC001593469755 1286172966 /nfs/dbraw/zinc/17/29/66/1286172966.db2.gz FPDWDCGDEWZFFG-UHFFFAOYSA-N -1 3 358.284 0.854 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCN(CC(F)(F)F)CC1 ZINC001593469755 1286172970 /nfs/dbraw/zinc/17/29/70/1286172970.db2.gz FPDWDCGDEWZFFG-UHFFFAOYSA-N -1 3 358.284 0.854 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)nc1 ZINC001593485674 1286174252 /nfs/dbraw/zinc/17/42/52/1286174252.db2.gz FMLWFZZAJRIMGL-UHFFFAOYSA-N -1 3 354.334 0.287 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)nc1 ZINC001593485674 1286174259 /nfs/dbraw/zinc/17/42/59/1286174259.db2.gz FMLWFZZAJRIMGL-UHFFFAOYSA-N -1 3 354.334 0.287 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N3C[C@@H](O)C[C@H]3CO)cc(-c3nnn[n-]3)c2c1 ZINC001593480175 1286174417 /nfs/dbraw/zinc/17/44/17/1286174417.db2.gz GVGUKMLIIHKFFF-UWVGGRQHSA-N -1 3 357.330 0.255 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N3C[C@@H](O)C[C@H]3CO)cc(-c3nn[n-]n3)c2c1 ZINC001593480175 1286174419 /nfs/dbraw/zinc/17/44/19/1286174419.db2.gz GVGUKMLIIHKFFF-UWVGGRQHSA-N -1 3 357.330 0.255 20 5 FCBDHM O=[N+]([O-])c1cnc(NCCN2CCC3(C2)OCCO3)c(-c2nnn[n-]2)c1 ZINC001593484487 1286174625 /nfs/dbraw/zinc/17/46/25/1286174625.db2.gz AKDRGQLCTHSQTO-UHFFFAOYSA-N -1 3 362.350 0.031 20 5 FCBDHM O=[N+]([O-])c1cnc(NCCN2CCC3(C2)OCCO3)c(-c2nn[n-]n2)c1 ZINC001593484487 1286174629 /nfs/dbraw/zinc/17/46/29/1286174629.db2.gz AKDRGQLCTHSQTO-UHFFFAOYSA-N -1 3 362.350 0.031 20 5 FCBDHM O=[N+]([O-])c1ccnn1CN1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001593487505 1286175418 /nfs/dbraw/zinc/17/54/18/1286175418.db2.gz YZXKJZHJCCBHST-UHFFFAOYSA-N -1 3 356.350 0.146 20 5 FCBDHM O=[N+]([O-])c1ccnn1CN1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001593487505 1286175425 /nfs/dbraw/zinc/17/54/25/1286175425.db2.gz YZXKJZHJCCBHST-UHFFFAOYSA-N -1 3 356.350 0.146 20 5 FCBDHM O=c1c2ccncc2ncn1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001593493570 1286179296 /nfs/dbraw/zinc/17/92/96/1286179296.db2.gz BEDRVPLAELWEPU-UHFFFAOYSA-N -1 3 350.298 0.928 20 5 FCBDHM O=c1c2ccncc2ncn1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001593493570 1286179301 /nfs/dbraw/zinc/17/93/01/1286179301.db2.gz BEDRVPLAELWEPU-UHFFFAOYSA-N -1 3 350.298 0.928 20 5 FCBDHM O=c1ccn(CCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(=O)[nH]1 ZINC001593497819 1286181641 /nfs/dbraw/zinc/18/16/41/1286181641.db2.gz PEZMHDPRUAQYMR-UHFFFAOYSA-N -1 3 358.318 0.539 20 5 FCBDHM O=c1ccn(CCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(=O)[nH]1 ZINC001593497819 1286181645 /nfs/dbraw/zinc/18/16/45/1286181645.db2.gz PEZMHDPRUAQYMR-UHFFFAOYSA-N -1 3 358.318 0.539 20 5 FCBDHM COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609295672 1289064059 /nfs/dbraw/zinc/06/40/59/1289064059.db2.gz KQKRBDUKMADHSI-STQMWFEESA-N -1 3 362.346 0.273 20 5 FCBDHM COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609295672 1289064065 /nfs/dbraw/zinc/06/40/65/1289064065.db2.gz KQKRBDUKMADHSI-STQMWFEESA-N -1 3 362.346 0.273 20 5 FCBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001609336446 1289106006 /nfs/dbraw/zinc/10/60/06/1289106006.db2.gz MQBVZUGZWMHVQE-UHFFFAOYSA-N -1 3 372.297 0.551 20 5 FCBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001609336446 1289106008 /nfs/dbraw/zinc/10/60/08/1289106008.db2.gz MQBVZUGZWMHVQE-UHFFFAOYSA-N -1 3 372.297 0.551 20 5 FCBDHM CC(=O)NCCN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001602947682 1287169306 /nfs/dbraw/zinc/16/93/06/1287169306.db2.gz RJCMZJACHJESDF-UHFFFAOYSA-N -1 3 356.346 0.895 20 5 FCBDHM CC(=O)NCCN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001602947682 1287169309 /nfs/dbraw/zinc/16/93/09/1287169309.db2.gz RJCMZJACHJESDF-UHFFFAOYSA-N -1 3 356.346 0.895 20 5 FCBDHM COC(=O)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC001604905141 1287813531 /nfs/dbraw/zinc/81/35/31/1287813531.db2.gz VMYXQJBBZPQWDN-LDYMZIIASA-N -1 3 363.334 0.408 20 5 FCBDHM COC(=O)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC001604905141 1287813533 /nfs/dbraw/zinc/81/35/33/1287813533.db2.gz VMYXQJBBZPQWDN-LDYMZIIASA-N -1 3 363.334 0.408 20 5 FCBDHM COCCN(CC(=O)N(C)C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605094999 1287878237 /nfs/dbraw/zinc/87/82/37/1287878237.db2.gz PNWISEHRCFYOEG-UHFFFAOYSA-N -1 3 363.378 0.312 20 5 FCBDHM COCCN(CC(=O)N(C)C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605094999 1287878242 /nfs/dbraw/zinc/87/82/42/1287878242.db2.gz PNWISEHRCFYOEG-UHFFFAOYSA-N -1 3 363.378 0.312 20 5 FCBDHM COCCOCCN(CCO)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605110296 1287884137 /nfs/dbraw/zinc/88/41/37/1287884137.db2.gz KLXNLPHJHWHWNY-UHFFFAOYSA-N -1 3 352.351 0.237 20 5 FCBDHM Cc1nn(C)c(C(=O)NCCc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC001606105363 1288167313 /nfs/dbraw/zinc/16/73/13/1288167313.db2.gz WMBPAFWBPDYFDA-UHFFFAOYSA-N -1 3 356.346 0.789 20 5 FCBDHM Cc1nn(C)c(C(=O)NCCc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC001606105363 1288167316 /nfs/dbraw/zinc/16/73/16/1288167316.db2.gz WMBPAFWBPDYFDA-UHFFFAOYSA-N -1 3 356.346 0.789 20 5 FCBDHM Cc1noc(CN2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)c1[N+](=O)[O-] ZINC001606134099 1288177763 /nfs/dbraw/zinc/17/77/63/1288177763.db2.gz VDSCWZNJCJIIOA-UHFFFAOYSA-N -1 3 371.361 0.789 20 5 FCBDHM Cc1noc(CN2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)c1[N+](=O)[O-] ZINC001606134099 1288177767 /nfs/dbraw/zinc/17/77/67/1288177767.db2.gz VDSCWZNJCJIIOA-UHFFFAOYSA-N -1 3 371.361 0.789 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@@H](Cn3ccnn3)C2)c1-c1nnn[n-]1 ZINC001606450519 1288323479 /nfs/dbraw/zinc/32/34/79/1288323479.db2.gz HVVCXQLKJHESKX-SECBINFHSA-N -1 3 356.350 0.475 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@@H](Cn3ccnn3)C2)c1-c1nn[n-]n1 ZINC001606450519 1288323487 /nfs/dbraw/zinc/32/34/87/1288323487.db2.gz HVVCXQLKJHESKX-SECBINFHSA-N -1 3 356.350 0.475 20 5 FCBDHM Nc1nccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1[N+](=O)[O-] ZINC001606456706 1288328032 /nfs/dbraw/zinc/32/80/32/1288328032.db2.gz PTXXIDLBMUUQMB-UHFFFAOYSA-N -1 3 358.293 0.821 20 5 FCBDHM Nc1nccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1[N+](=O)[O-] ZINC001606456706 1288328034 /nfs/dbraw/zinc/32/80/34/1288328034.db2.gz PTXXIDLBMUUQMB-UHFFFAOYSA-N -1 3 358.293 0.821 20 5 FCBDHM O=C(CCn1cccc([N+](=O)[O-])c1=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001606540144 1288373931 /nfs/dbraw/zinc/37/39/31/1288373931.db2.gz IHAIVPVSJYWZEI-UHFFFAOYSA-N -1 3 355.314 0.965 20 5 FCBDHM O=C(CCn1cccc([N+](=O)[O-])c1=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001606540144 1288373937 /nfs/dbraw/zinc/37/39/37/1288373937.db2.gz IHAIVPVSJYWZEI-UHFFFAOYSA-N -1 3 355.314 0.965 20 5 FCBDHM Cn1[nH]c([C@@H]2CCCN2Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nc1=N ZINC001609481777 1289175920 /nfs/dbraw/zinc/17/59/20/1289175920.db2.gz NVLSVHFQXUCQFY-NSHDSACASA-N -1 3 370.377 0.653 20 5 FCBDHM Cn1[nH]c([C@@H]2CCCN2Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nc1=N ZINC001609481777 1289175924 /nfs/dbraw/zinc/17/59/24/1289175924.db2.gz NVLSVHFQXUCQFY-NSHDSACASA-N -1 3 370.377 0.653 20 5 FCBDHM O=C(NCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccnnc1 ZINC001606770889 1288505643 /nfs/dbraw/zinc/50/56/43/1288505643.db2.gz YXTCFOULQCOZKJ-UHFFFAOYSA-N -1 3 369.345 0.797 20 5 FCBDHM O=C(NCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccnnc1 ZINC001606770889 1288505645 /nfs/dbraw/zinc/50/56/45/1288505645.db2.gz YXTCFOULQCOZKJ-UHFFFAOYSA-N -1 3 369.345 0.797 20 5 FCBDHM O=C(N[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1)c1ccn[nH]1 ZINC001606885976 1288547857 /nfs/dbraw/zinc/54/78/57/1288547857.db2.gz SDQFCTDQUKHWIK-MGCOHNPYSA-N -1 3 369.345 0.871 20 5 FCBDHM O=C(N[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1)c1ccn[nH]1 ZINC001606885976 1288547859 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372.345 0.605 20 5 FCBDHM COc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1-c1nn[n-]n1 ZINC000826197147 607586183 /nfs/dbraw/zinc/58/61/83/607586183.db2.gz BQYGTIDWBZIKFW-UHFFFAOYSA-N -1 3 372.345 0.605 20 5 FCBDHM COc1ccc(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826202369 607629467 /nfs/dbraw/zinc/62/94/67/607629467.db2.gz YJGPEGUXGMXTES-UHFFFAOYSA-N -1 3 358.318 0.745 20 5 FCBDHM COc1ccc(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826202369 607629470 /nfs/dbraw/zinc/62/94/70/607629470.db2.gz YJGPEGUXGMXTES-UHFFFAOYSA-N -1 3 358.318 0.745 20 5 FCBDHM O=C([O-])[C@@H](O)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000833770593 604976760 /nfs/dbraw/zinc/97/67/60/604976760.db2.gz JVIQXRIYFYFAIL-ZFWWWQNUSA-N -1 3 354.359 0.492 20 5 FCBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000820775877 606226896 /nfs/dbraw/zinc/22/68/96/606226896.db2.gz JQTQNJNMMDIYSK-ABAIWWIYSA-N -1 3 359.390 0.932 20 5 FCBDHM 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374.386 0.984 20 5 FCBDHM CN(CC(=O)NCc1cccs1)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591040321 1284102507 /nfs/dbraw/zinc/10/25/07/1284102507.db2.gz HDBZPEJPNINLBS-UHFFFAOYSA-N -1 3 374.386 0.984 20 5 FCBDHM CN(CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)c1cnco1 ZINC001591105506 1284179670 /nfs/dbraw/zinc/17/96/70/1284179670.db2.gz PQHZVJFPDVTLLE-UHFFFAOYSA-N -1 3 358.318 0.947 20 5 FCBDHM CN(CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)c1cnco1 ZINC001591105506 1284179674 /nfs/dbraw/zinc/17/96/74/1284179674.db2.gz PQHZVJFPDVTLLE-UHFFFAOYSA-N -1 3 358.318 0.947 20 5 FCBDHM CN(CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)c1ccon1 ZINC001591105485 1284179758 /nfs/dbraw/zinc/17/97/58/1284179758.db2.gz NZSRTIAKSJGYRS-UHFFFAOYSA-N -1 3 358.318 0.947 20 5 FCBDHM CN(CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)c1ccon1 ZINC001591105485 1284179766 /nfs/dbraw/zinc/17/97/66/1284179766.db2.gz NZSRTIAKSJGYRS-UHFFFAOYSA-N -1 3 358.318 0.947 20 5 FCBDHM CN(Cc1cn(C)nc1[N+](=O)[O-])C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001591151323 1284220042 /nfs/dbraw/zinc/22/00/42/1284220042.db2.gz UTMABPRYAIRBIT-ZDUSSCGKSA-N -1 3 358.362 0.674 20 5 FCBDHM COC(=O)[C@H]1C[C@@H](O)CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591248013 1284401509 /nfs/dbraw/zinc/40/15/09/1284401509.db2.gz IOLRPVOQLNIOFK-JGVFFNPUSA-N -1 3 366.309 0.274 20 5 FCBDHM COC(=O)[C@H]1C[C@@H](O)CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591248013 1284401514 /nfs/dbraw/zinc/40/15/14/1284401514.db2.gz IOLRPVOQLNIOFK-JGVFFNPUSA-N -1 3 366.309 0.274 20 5 FCBDHM COC(=O)[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC001591278587 1284434400 /nfs/dbraw/zinc/43/44/00/1284434400.db2.gz YIPQXQPIYBPUON-RNCFNFMXSA-N -1 3 362.346 0.850 20 5 FCBDHM COC(=O)[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001591278587 1284434401 /nfs/dbraw/zinc/43/44/01/1284434401.db2.gz YIPQXQPIYBPUON-RNCFNFMXSA-N -1 3 362.346 0.850 20 5 FCBDHM COC(=O)[C@@H]1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001591278596 1284434634 /nfs/dbraw/zinc/43/46/34/1284434634.db2.gz ZBUHDOJXWCTVEY-KRTXAFLBSA-N -1 3 366.309 0.681 20 5 FCBDHM COC(=O)[C@@H]1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001591278596 1284434639 /nfs/dbraw/zinc/43/46/39/1284434639.db2.gz ZBUHDOJXWCTVEY-KRTXAFLBSA-N -1 3 366.309 0.681 20 5 FCBDHM COC(=O)[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001591278503 1284435591 /nfs/dbraw/zinc/43/55/91/1284435591.db2.gz VARCDLZNGVXIBF-RNCFNFMXSA-N -1 3 362.346 0.537 20 5 FCBDHM COC(=O)[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001591278503 1284435594 /nfs/dbraw/zinc/43/55/94/1284435594.db2.gz VARCDLZNGVXIBF-RNCFNFMXSA-N -1 3 362.346 0.537 20 5 FCBDHM CO[C@H](C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC001591315267 1284464579 /nfs/dbraw/zinc/46/45/79/1284464579.db2.gz GPXXYCIISRYQPC-ZANVPECISA-N -1 3 363.330 0.870 20 5 FCBDHM CO[C@H](C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC001591315267 1284464583 /nfs/dbraw/zinc/46/45/83/1284464583.db2.gz GPXXYCIISRYQPC-ZANVPECISA-N -1 3 363.330 0.870 20 5 FCBDHM COCCc1noc(CN(C)Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1 ZINC001591447896 1284604619 /nfs/dbraw/zinc/60/46/19/1284604619.db2.gz LKWBYKJEZBVSHL-UHFFFAOYSA-N -1 3 374.361 0.979 20 5 FCBDHM COCCc1noc(CN(C)Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1 ZINC001591447896 1284604632 /nfs/dbraw/zinc/60/46/32/1284604632.db2.gz LKWBYKJEZBVSHL-UHFFFAOYSA-N -1 3 374.361 0.979 20 5 FCBDHM COCc1ncc2c(n1)CCN(c1ncc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC001591461101 1284628023 /nfs/dbraw/zinc/62/80/23/1284628023.db2.gz QWLIUPZPTNNDJH-UHFFFAOYSA-N -1 3 369.345 0.669 20 5 FCBDHM COCc1ncc2c(n1)CCN(c1ncc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC001591461101 1284628032 /nfs/dbraw/zinc/62/80/32/1284628032.db2.gz QWLIUPZPTNNDJH-UHFFFAOYSA-N -1 3 369.345 0.669 20 5 FCBDHM CS(=O)(=O)[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591672620 1284806257 /nfs/dbraw/zinc/80/62/57/1284806257.db2.gz BBEXPTRLFXBMAK-LBPRGKRZSA-N -1 3 366.403 0.784 20 5 FCBDHM CS(=O)(=O)[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591672620 1284806267 /nfs/dbraw/zinc/80/62/67/1284806267.db2.gz BBEXPTRLFXBMAK-LBPRGKRZSA-N -1 3 366.403 0.784 20 5 FCBDHM CS(=O)(=O)[C@H]1CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591674434 1284811222 /nfs/dbraw/zinc/81/12/22/1284811222.db2.gz WQTPCXGGCQVCSU-QMMMGPOBSA-N -1 3 370.366 0.927 20 5 FCBDHM CS(=O)(=O)[C@H]1CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591674434 1284811229 /nfs/dbraw/zinc/81/12/29/1284811229.db2.gz WQTPCXGGCQVCSU-QMMMGPOBSA-N -1 3 370.366 0.927 20 5 FCBDHM CS(=O)(=O)N1CC[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591676710 1284813609 /nfs/dbraw/zinc/81/36/09/1284813609.db2.gz KAWJCCIHZMFFIB-VIFPVBQESA-N -1 3 353.364 0.221 20 5 FCBDHM CS(=O)(=O)N1CC[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591676710 1284813620 /nfs/dbraw/zinc/81/36/20/1284813620.db2.gz KAWJCCIHZMFFIB-VIFPVBQESA-N -1 3 353.364 0.221 20 5 FCBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1CS(N)(=O)=O ZINC001591748324 1284875376 /nfs/dbraw/zinc/87/53/76/1284875376.db2.gz XAFYZXXUDCSQLT-BDAKNGLRSA-N -1 3 367.391 0.136 20 5 FCBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1CS(N)(=O)=O ZINC001591748324 1284875389 /nfs/dbraw/zinc/87/53/89/1284875389.db2.gz XAFYZXXUDCSQLT-BDAKNGLRSA-N -1 3 367.391 0.136 20 5 FCBDHM Cc1c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nnn1C ZINC001591807663 1284919735 /nfs/dbraw/zinc/91/97/35/1284919735.db2.gz GWEDVORYWLFGBO-UHFFFAOYSA-N -1 3 372.349 0.054 20 5 FCBDHM Cc1c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nnn1C ZINC001591807663 1284919738 /nfs/dbraw/zinc/91/97/38/1284919738.db2.gz GWEDVORYWLFGBO-UHFFFAOYSA-N -1 3 372.349 0.054 20 5 FCBDHM Cc1cc(N2CCC(S(N)(=O)=O)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592001883 1285052171 /nfs/dbraw/zinc/05/21/71/1285052171.db2.gz FVDQBIVWRJUNHB-UHFFFAOYSA-N -1 3 367.391 0.341 20 5 FCBDHM Cc1cc(N2CCC(S(N)(=O)=O)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592001883 1285052178 /nfs/dbraw/zinc/05/21/78/1285052178.db2.gz FVDQBIVWRJUNHB-UHFFFAOYSA-N -1 3 367.391 0.341 20 5 FCBDHM Cc1cc(NCc2nnc3n2CCNC3=O)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592053533 1285096409 /nfs/dbraw/zinc/09/64/09/1285096409.db2.gz HWFWUQKKENLCPJ-UHFFFAOYSA-N -1 3 370.333 0.030 20 5 FCBDHM Cc1cc(NCc2nnc3n2CCNC3=O)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592053533 1285096414 /nfs/dbraw/zinc/09/64/14/1285096414.db2.gz HWFWUQKKENLCPJ-UHFFFAOYSA-N -1 3 370.333 0.030 20 5 FCBDHM Cc1cc(NCCn2cnc(-c3nnn[n-]3)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001592050740 1285096486 /nfs/dbraw/zinc/09/64/86/1285096486.db2.gz DICATYJICSPPDZ-UHFFFAOYSA-N -1 3 366.345 0.757 20 5 FCBDHM Cc1ccc([N+](=O)[O-])c(=O)n1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001592199190 1285179988 /nfs/dbraw/zinc/17/99/88/1285179988.db2.gz JMIFOSOOQMUTMM-UHFFFAOYSA-N -1 3 355.314 0.884 20 5 FCBDHM Cc1ccc([N+](=O)[O-])c(=O)n1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001592199190 1285179994 /nfs/dbraw/zinc/17/99/94/1285179994.db2.gz JMIFOSOOQMUTMM-UHFFFAOYSA-N -1 3 355.314 0.884 20 5 FCBDHM Cc1nc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)co1 ZINC001592349616 1285264625 /nfs/dbraw/zinc/26/46/25/1285264625.db2.gz RBCIGQYOXFKGBS-UHFFFAOYSA-N -1 3 358.318 0.913 20 5 FCBDHM Cc1nc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)co1 ZINC001592349616 1285264643 /nfs/dbraw/zinc/26/46/43/1285264643.db2.gz RBCIGQYOXFKGBS-UHFFFAOYSA-N -1 3 358.318 0.913 20 5 FCBDHM Cc1nc(N(C)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)ccc1[N+](=O)[O-] ZINC001592367991 1285280908 /nfs/dbraw/zinc/28/09/08/1285280908.db2.gz KXJNFABZZPDKME-UHFFFAOYSA-N -1 3 371.361 0.673 20 5 FCBDHM Cc1nc(N(C)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)ccc1[N+](=O)[O-] ZINC001592367991 1285280916 /nfs/dbraw/zinc/28/09/16/1285280916.db2.gz KXJNFABZZPDKME-UHFFFAOYSA-N -1 3 371.361 0.673 20 5 FCBDHM Cc1ncc([N+](=O)[O-])n1CC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001592412858 1285327869 /nfs/dbraw/zinc/32/78/69/1285327869.db2.gz LVFUCVJTIWSRIP-UHFFFAOYSA-N -1 3 354.330 0.822 20 5 FCBDHM Cc1ncc([N+](=O)[O-])n1CC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001592412858 1285327879 /nfs/dbraw/zinc/32/78/79/1285327879.db2.gz LVFUCVJTIWSRIP-UHFFFAOYSA-N -1 3 354.330 0.822 20 5 FCBDHM Cc1ncn(C)c1C(=O)NCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592420616 1285347809 /nfs/dbraw/zinc/34/78/09/1285347809.db2.gz VHLRIJICRBWGQU-UHFFFAOYSA-N -1 3 371.361 0.659 20 5 FCBDHM Cc1ncn(C)c1C(=O)NCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592420616 1285347822 /nfs/dbraw/zinc/34/78/22/1285347822.db2.gz VHLRIJICRBWGQU-UHFFFAOYSA-N -1 3 371.361 0.659 20 5 FCBDHM Cc1nn(C)c(N2CC[C@@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)c1[N+](=O)[O-] ZINC001592430845 1285362560 /nfs/dbraw/zinc/36/25/60/1285362560.db2.gz GWXHKRDHOBROAR-LLVKDONJSA-N -1 3 371.361 0.870 20 5 FCBDHM Cc1nn(C)c(N2CC[C@@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)c1[N+](=O)[O-] ZINC001592430845 1285362571 /nfs/dbraw/zinc/36/25/71/1285362571.db2.gz GWXHKRDHOBROAR-LLVKDONJSA-N -1 3 371.361 0.870 20 5 FCBDHM Cc1nsc(N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)c1-c1nnn[n-]1 ZINC001592476388 1285418256 /nfs/dbraw/zinc/41/82/56/1285418256.db2.gz GENNNMMTVJDLMQ-UHFFFAOYSA-N -1 3 374.390 0.656 20 5 FCBDHM CN(Cc1cc(-c2nnn[n-]2)cs1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001604801640 1287786524 /nfs/dbraw/zinc/78/65/24/1287786524.db2.gz PIOYLMADVWFGEI-UHFFFAOYSA-N -1 3 360.359 0.967 20 5 FCBDHM CN(Cc1cc(-c2nn[n-]n2)cs1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001604801640 1287786529 /nfs/dbraw/zinc/78/65/29/1287786529.db2.gz PIOYLMADVWFGEI-UHFFFAOYSA-N -1 3 360.359 0.967 20 5 FCBDHM Cn1cc(C[C@@H](CO)CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001592571115 1285487291 /nfs/dbraw/zinc/48/72/91/1285487291.db2.gz PHNJWJXOEOPMHM-SNVBAGLBSA-N -1 3 359.350 0.167 20 5 FCBDHM Cn1cc(C[C@@H](CO)CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001592571115 1285487294 /nfs/dbraw/zinc/48/72/94/1285487294.db2.gz PHNJWJXOEOPMHM-SNVBAGLBSA-N -1 3 359.350 0.167 20 5 FCBDHM Cn1ccc(=O)n(CCCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1=O ZINC001592578272 1285496483 /nfs/dbraw/zinc/49/64/83/1285496483.db2.gz MYSIGKWTQBOCMN-UHFFFAOYSA-N -1 3 372.345 0.138 20 5 FCBDHM Cn1ccc(=O)n(CCCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1=O ZINC001592578272 1285496492 /nfs/dbraw/zinc/49/64/92/1285496492.db2.gz MYSIGKWTQBOCMN-UHFFFAOYSA-N -1 3 372.345 0.138 20 5 FCBDHM Cn1cc([N+](=O)[O-])c(N2CC[C@@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001592577618 1285496887 /nfs/dbraw/zinc/49/68/87/1285496887.db2.gz JXPCLQRCCTVWQB-SNVBAGLBSA-N -1 3 357.334 0.561 20 5 FCBDHM Cn1cc([N+](=O)[O-])c(N2CC[C@@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001592577618 1285496889 /nfs/dbraw/zinc/49/68/89/1285496889.db2.gz JXPCLQRCCTVWQB-SNVBAGLBSA-N -1 3 357.334 0.561 20 5 FCBDHM Cn1cnc(C(=O)NCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001592586833 1285513271 /nfs/dbraw/zinc/51/32/71/1285513271.db2.gz RPZMDVQSNQOJAS-UHFFFAOYSA-N -1 3 371.361 0.740 20 5 FCBDHM Cn1cnc(C(=O)NCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001592586833 1285513279 /nfs/dbraw/zinc/51/32/79/1285513279.db2.gz RPZMDVQSNQOJAS-UHFFFAOYSA-N -1 3 371.361 0.740 20 5 FCBDHM 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Nc1c([N+](=O)[O-])ccc(NCC(=O)NCC(F)(F)F)c1-c1nnn[n-]1 ZINC001592757711 1285679594 /nfs/dbraw/zinc/67/95/94/1285679594.db2.gz ODVHUJSDZPRJFJ-UHFFFAOYSA-N -1 3 360.256 0.448 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(NCC(=O)NCC(F)(F)F)c1-c1nn[n-]n1 ZINC001592757711 1285679601 /nfs/dbraw/zinc/67/96/01/1285679601.db2.gz ODVHUJSDZPRJFJ-UHFFFAOYSA-N -1 3 360.256 0.448 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(NC2CN(c3ccncn3)C2)c1-c1nnn[n-]1 ZINC001592756559 1285680271 /nfs/dbraw/zinc/68/02/71/1285680271.db2.gz BAGNPEDQQPZZCA-UHFFFAOYSA-N -1 3 354.334 0.448 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(NC2CN(c3ccncn3)C2)c1-c1nn[n-]n1 ZINC001592756559 1285680274 /nfs/dbraw/zinc/68/02/74/1285680274.db2.gz BAGNPEDQQPZZCA-UHFFFAOYSA-N -1 3 354.334 0.448 20 5 FCBDHM Nc1nc(N2CC(Oc3ccc(-c4nn[n-]n4)cc3)C2)ncc1[N+](=O)[O-] ZINC001592761139 1285681627 /nfs/dbraw/zinc/68/16/27/1285681627.db2.gz BOFRUTACKAVUAS-UHFFFAOYSA-N -1 3 355.318 0.415 20 5 FCBDHM Nc1cc(N2CCN(C[C@@H]3CCCO3)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759902 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Cc1ccc(C)c(S(=O)(=O)[N-]CCCN2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000276805273 488786803 /nfs/dbraw/zinc/78/68/03/488786803.db2.gz LGJBVMAOLMNBKC-UHFFFAOYSA-N -1 3 370.431 0.312 20 5 FCBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000288427067 488980313 /nfs/dbraw/zinc/98/03/13/488980313.db2.gz PBFCUJXCIHPEMJ-WCBMZHEXSA-N -1 3 364.401 0.315 20 5 FCBDHM C[C@H](O)CC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280721799 489026954 /nfs/dbraw/zinc/02/69/54/489026954.db2.gz HKXZQVFDZFUDPZ-NSHDSACASA-N -1 3 373.431 0.786 20 5 FCBDHM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000280830315 489034149 /nfs/dbraw/zinc/03/41/49/489034149.db2.gz STWHLJPUQGPBKM-GHMZBOCLSA-N -1 3 357.388 0.509 20 5 FCBDHM CC(C)OCCCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280850220 489035370 /nfs/dbraw/zinc/03/53/70/489035370.db2.gz WOEDPAXETVPQEL-UHFFFAOYSA-N -1 3 359.404 0.804 20 5 FCBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[C@@H]1CCCCO1 ZINC000280889025 489038752 /nfs/dbraw/zinc/03/87/52/489038752.db2.gz CYXQZJWBEMBXQL-LBPRGKRZSA-N -1 3 371.415 0.949 20 5 FCBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC1CCOCC1 ZINC000289533511 489074998 /nfs/dbraw/zinc/07/49/98/489074998.db2.gz SIVYXNDPSGRPAC-UHFFFAOYSA-N -1 3 373.387 0.778 20 5 FCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCS(=O)(=O)N(C)C ZINC000290090598 489113521 /nfs/dbraw/zinc/11/35/21/489113521.db2.gz ZNXFFCWVRIFNSW-UHFFFAOYSA-N -1 3 351.406 0.073 20 5 FCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C(=O)NCC[C@H]1C ZINC000282602475 489177952 /nfs/dbraw/zinc/17/79/52/489177952.db2.gz QUEAOYYREAOVMV-PRHODGIISA-N -1 3 371.371 0.184 20 5 FCBDHM C[C@H]1C(=O)N(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)N1C ZINC000348568201 489274006 /nfs/dbraw/zinc/27/40/06/489274006.db2.gz FEZYXBLFPGLUSY-VIFPVBQESA-N -1 3 356.360 0.156 20 5 FCBDHM C[C@@H]1C(=O)N(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)N1C ZINC000348568200 489273944 /nfs/dbraw/zinc/27/39/44/489273944.db2.gz FEZYXBLFPGLUSY-SECBINFHSA-N -1 3 356.360 0.156 20 5 FCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1 ZINC000298435702 489326362 /nfs/dbraw/zinc/32/63/62/489326362.db2.gz XSJXSFUQEBEOEY-QMMMGPOBSA-N -1 3 350.374 0.069 20 5 FCBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000298862095 489374894 /nfs/dbraw/zinc/37/48/94/489374894.db2.gz PJOMMARFVSKBRV-LLVKDONJSA-N -1 3 359.404 0.602 20 5 FCBDHM C[C@@]1(C[C@H]2CCCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])NC(=O)[N-]C1=O ZINC000286288647 489376558 /nfs/dbraw/zinc/37/65/58/489376558.db2.gz HJGMMYIGDHCGKI-HWPZZCPQSA-N -1 3 361.358 0.651 20 5 FCBDHM COc1ccc(S(=O)(=O)[N-]CCCC(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC000298872102 489376752 /nfs/dbraw/zinc/37/67/52/489376752.db2.gz WBHJZHPGQXHONV-UHFFFAOYSA-N -1 3 357.388 0.941 20 5 FCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000299356838 489434595 /nfs/dbraw/zinc/43/45/95/489434595.db2.gz WZKKULSROGEPAU-UHFFFAOYSA-N -1 3 373.369 0.790 20 5 FCBDHM CC[C@@]1(C)NC(=O)N([N-]C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1=O ZINC000299588044 489459618 /nfs/dbraw/zinc/45/96/18/489459618.db2.gz UUFJAWLLCKMPAH-OAHLLOKOSA-N -1 3 364.314 0.538 20 5 FCBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1(CO)COC1 ZINC000416431650 489592437 /nfs/dbraw/zinc/59/24/37/489592437.db2.gz BZUGXWPTZDDPKR-UHFFFAOYSA-N -1 3 370.305 0.901 20 5 FCBDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)cc1[N+](=O)[O-] ZINC000416489340 489600630 /nfs/dbraw/zinc/60/06/30/489600630.db2.gz RDARWYGHBGHKDU-VIFPVBQESA-N -1 3 364.307 0.171 20 5 FCBDHM CC[C@@](C)(CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000456118376 489607633 /nfs/dbraw/zinc/60/76/33/489607633.db2.gz HVEGAZPBCCMGSM-AWEZNQCLSA-N -1 3 359.404 0.804 20 5 FCBDHM CO[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000456153035 489608311 /nfs/dbraw/zinc/60/83/11/489608311.db2.gz WFQKODPJXYSHCV-YPMHNXCESA-N -1 3 371.415 0.757 20 5 FCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)Cn2ccnn2)c(Cl)c1 ZINC000416566358 489610280 /nfs/dbraw/zinc/61/02/80/489610280.db2.gz UQOKAJIBXSKGGT-VIFPVBQESA-N -1 3 361.767 0.179 20 5 FCBDHM COCCNC(=O)C1([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000416574552 489612339 /nfs/dbraw/zinc/61/23/39/489612339.db2.gz YTJMUKYIWLFPLL-UHFFFAOYSA-N -1 3 373.387 0.177 20 5 FCBDHM COc1ccc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000416609450 489617156 /nfs/dbraw/zinc/61/71/56/489617156.db2.gz MVMHSFCGRUAXEI-ZYHUDNBSSA-N -1 3 360.388 0.669 20 5 FCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000416626993 489618911 /nfs/dbraw/zinc/61/89/11/489618911.db2.gz VHAZRHIWMFQPOQ-QMMMGPOBSA-N -1 3 363.367 0.934 20 5 FCBDHM CC[C@@H](O)[C@@H](CC)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000456657252 489622312 /nfs/dbraw/zinc/62/23/12/489622312.db2.gz HCYWSMHLIWZHRG-ZYHUDNBSSA-N -1 3 359.404 0.539 20 5 FCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CO)CC(F)F ZINC000428416064 489647259 /nfs/dbraw/zinc/64/72/59/489647259.db2.gz CKNJYJHDRSJOHP-SSDOTTSWSA-N -1 3 368.314 0.676 20 5 FCBDHM CCO[C@H]1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000457873282 489661007 /nfs/dbraw/zinc/66/10/07/489661007.db2.gz IFQRBYAEVMXFQP-PHIMTYICSA-N -1 3 357.388 0.557 20 5 FCBDHM CCn1cncc1CNCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417932077 489671938 /nfs/dbraw/zinc/67/19/38/489671938.db2.gz MBQNPSMIZXEYIR-UHFFFAOYSA-N -1 3 353.404 0.879 20 5 FCBDHM O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncn1 ZINC000489048297 489692490 /nfs/dbraw/zinc/69/24/90/489692490.db2.gz WEOOAXUMYHMZEE-UHFFFAOYSA-N -1 3 351.344 0.093 20 5 FCBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000490420170 489766209 /nfs/dbraw/zinc/76/62/09/489766209.db2.gz RIZKRFWQPFZFBB-QMMMGPOBSA-N -1 3 350.324 0.436 20 5 FCBDHM CCOC[C@@H](O)C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491593879 489809546 /nfs/dbraw/zinc/80/95/46/489809546.db2.gz KJGPQZTVZCIJEE-QMMMGPOBSA-N -1 3 352.340 0.418 20 5 FCBDHM O=C(CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000492876332 489837912 /nfs/dbraw/zinc/83/79/12/489837912.db2.gz AKLIVWURMAVKSR-NSHDSACASA-N -1 3 367.749 0.423 20 5 FCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCC(=O)N1 ZINC000433454818 489885747 /nfs/dbraw/zinc/88/57/47/489885747.db2.gz GQQMOFDTDWWUCD-SECBINFHSA-N -1 3 371.371 0.328 20 5 FCBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(N)=O ZINC000463230816 490006554 /nfs/dbraw/zinc/00/65/54/490006554.db2.gz QWGGFEAQUSZFOH-YFKPBYRVSA-N -1 3 352.166 0.509 20 5 FCBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000420709134 490011446 /nfs/dbraw/zinc/01/14/46/490011446.db2.gz ZFOQZLJWTPFPKD-UHFFFAOYSA-N -1 3 361.351 0.676 20 5 FCBDHM NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436739252 490011710 /nfs/dbraw/zinc/01/17/10/490011710.db2.gz NSBLLWYAIIJDQY-UHFFFAOYSA-N -1 3 371.353 0.757 20 5 FCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436942812 490017156 /nfs/dbraw/zinc/01/71/56/490017156.db2.gz ICDZCONZSQVSON-UHFFFAOYSA-N -1 3 373.369 0.918 20 5 FCBDHM COC(=O)C[C@]1([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000464211086 490046151 /nfs/dbraw/zinc/04/61/51/490046151.db2.gz YHPLRQCXQHAKCQ-CQSZACIVSA-N -1 3 374.371 0.604 20 5 FCBDHM CC(C)NS(=O)(=O)CC[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546062389 490183631 /nfs/dbraw/zinc/18/36/31/490183631.db2.gz SKKBFINYDBTDOY-UHFFFAOYSA-N -1 3 365.433 0.342 20 5 FCBDHM CNC(=O)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000497964513 490240638 /nfs/dbraw/zinc/24/06/38/490240638.db2.gz IRJDPRJITKTJOP-QWRGUYRKSA-N -1 3 357.388 0.796 20 5 FCBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000546778757 490243759 /nfs/dbraw/zinc/24/37/59/490243759.db2.gz PLJPWTRXGNQPRJ-NSHDSACASA-N -1 3 368.371 0.082 20 5 FCBDHM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000467071756 490246803 /nfs/dbraw/zinc/24/68/03/490246803.db2.gz WQGUTJUMBSTJFO-GFCCVEGCSA-N -1 3 350.324 0.326 20 5 FCBDHM CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000467087997 490252049 /nfs/dbraw/zinc/25/20/49/490252049.db2.gz COOFIAVNDNLMAP-AWEZNQCLSA-N -1 3 360.388 0.804 20 5 FCBDHM Cc1[nH]nc(C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c1[N+](=O)[O-] ZINC000522203788 490355180 /nfs/dbraw/zinc/35/51/80/490355180.db2.gz JIMBBZZZEZMMQA-HNNXBMFYSA-N -1 3 358.314 0.933 20 5 FCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1C ZINC000498901167 490362817 /nfs/dbraw/zinc/36/28/17/490362817.db2.gz YZYXTTHUTJJMJZ-LLVKDONJSA-N -1 3 368.371 0.136 20 5 FCBDHM NC(=O)CCCCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000548008610 490405236 /nfs/dbraw/zinc/40/52/36/490405236.db2.gz BEPYSMYLZBCUOE-UHFFFAOYSA-N -1 3 372.403 0.035 20 5 FCBDHM Cc1nc(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)ncc1[N+](=O)[O-] ZINC000450306464 490459949 /nfs/dbraw/zinc/45/99/49/490459949.db2.gz ZCDBGLMWXBDUEV-INIZCTEOSA-N -1 3 356.342 1.360 20 5 FCBDHM NC(=O)c1cc(C[N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])on1 ZINC000501015347 490568562 /nfs/dbraw/zinc/56/85/62/490568562.db2.gz PHXZWHYVLTZYMF-UHFFFAOYSA-N -1 3 354.344 0.344 20 5 FCBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000537327392 490671994 /nfs/dbraw/zinc/67/19/94/490671994.db2.gz JRCHODPBRGUNGR-LBPRGKRZSA-N -1 3 362.342 0.435 20 5 FCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CO)[C@H]1CCCOC1 ZINC000572060744 491346369 /nfs/dbraw/zinc/34/63/69/491346369.db2.gz ZJSJXZGOESXHLM-JQWIXIFHSA-N -1 3 360.388 0.669 20 5 FCBDHM COc1nc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n[n-]1 ZINC000537733517 490692403 /nfs/dbraw/zinc/69/24/03/490692403.db2.gz OIAGUJGKZHONIE-UHFFFAOYSA-N -1 3 352.332 0.551 20 5 FCBDHM COc1nnc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[n-]1 ZINC000537733517 490692407 /nfs/dbraw/zinc/69/24/07/490692407.db2.gz OIAGUJGKZHONIE-UHFFFAOYSA-N -1 3 352.332 0.551 20 5 FCBDHM COc1n[n-]c(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000537733517 490692409 /nfs/dbraw/zinc/69/24/09/490692409.db2.gz OIAGUJGKZHONIE-UHFFFAOYSA-N -1 3 352.332 0.551 20 5 FCBDHM CCN1CCN([C@@H](C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000527291465 490714227 /nfs/dbraw/zinc/71/42/27/490714227.db2.gz MRGGOWFCMLAAEF-LBPRGKRZSA-N -1 3 357.436 0.294 20 5 FCBDHM Cn1cnn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)c1=O ZINC000540033150 490806013 /nfs/dbraw/zinc/80/60/13/490806013.db2.gz JDWSBLWMSDXPAI-UHFFFAOYSA-N -1 3 356.298 0.832 20 5 FCBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccnc(N(C)C)n2)c([N+](=O)[O-])c1 ZINC000540482089 490825264 /nfs/dbraw/zinc/82/52/64/490825264.db2.gz DQFRJNJAUVSVJI-UHFFFAOYSA-N -1 3 367.387 0.938 20 5 FCBDHM Cc1ncc(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000541457724 490863108 /nfs/dbraw/zinc/86/31/08/490863108.db2.gz JDXXCTJXOVYAKG-UHFFFAOYSA-N -1 3 359.342 0.835 20 5 FCBDHM Cc1c(Br)c(N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000542508719 490898811 /nfs/dbraw/zinc/89/88/11/490898811.db2.gz NUYBJEUOCQYXAN-QMMMGPOBSA-N -1 3 370.163 0.801 20 5 FCBDHM O=C([N-]c1cnns1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000518660633 490948160 /nfs/dbraw/zinc/94/81/60/490948160.db2.gz JMTCMVCDGRMXDU-UHFFFAOYSA-N -1 3 363.359 0.129 20 5 FCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000531686517 490970817 /nfs/dbraw/zinc/97/08/17/490970817.db2.gz NWGSHGKEPDIZAK-NXEZZACHSA-N -1 3 357.388 0.926 20 5 FCBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]2OCC[C@@H]2C1 ZINC000566286007 491433053 /nfs/dbraw/zinc/43/30/53/491433053.db2.gz FUSBJVZEYDESKW-YPMHNXCESA-N -1 3 369.399 0.511 20 5 FCBDHM Cc1nc[nH]c1CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000559260493 491459076 /nfs/dbraw/zinc/45/90/76/491459076.db2.gz APOQVPHERDQVOY-UHFFFAOYSA-N -1 3 353.360 0.221 20 5 FCBDHM CCO[C@@H]1C[C@H]1NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000574238389 491483179 /nfs/dbraw/zinc/48/31/79/491483179.db2.gz LCFITVYLRUPOAG-ZYHUDNBSSA-N -1 3 372.403 0.350 20 5 FCBDHM Cn1[n-]c([C@@H]2CCCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)nc1=N ZINC000568446067 491577677 /nfs/dbraw/zinc/57/76/77/491577677.db2.gz DNICNMXFTOXVNB-LBPRGKRZSA-N -1 3 373.373 0.229 20 5 FCBDHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000590549708 491778698 /nfs/dbraw/zinc/77/86/98/491778698.db2.gz GSPFCUYKUFWMCX-UHFFFAOYSA-N -1 3 357.330 0.561 20 5 FCBDHM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590591429 491780529 /nfs/dbraw/zinc/78/05/29/491780529.db2.gz NJRYYEUZZQQCHE-UHFFFAOYSA-N -1 3 369.396 0.260 20 5 FCBDHM C[C@@H](O)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000598236618 492089875 /nfs/dbraw/zinc/08/98/75/492089875.db2.gz HIXGCGOOLRHQGU-GHMZBOCLSA-N -1 3 357.388 0.245 20 5 FCBDHM CCOC(=O)c1nc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)n[n-]1 ZINC000615920236 492108089 /nfs/dbraw/zinc/10/80/89/492108089.db2.gz PWIKKDQFMJJWJY-UHFFFAOYSA-N -1 3 359.302 0.696 20 5 FCBDHM CCOC(=O)c1nnc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[n-]1 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367.391 0.147 20 5 FCBDHM CCc1ccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1[N+](=O)[O-] ZINC000821476498 606134612 /nfs/dbraw/zinc/13/46/12/606134612.db2.gz OSCOVWQHBCFOQA-UHFFFAOYSA-N -1 3 372.345 0.973 20 5 FCBDHM CCc1ccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1[N+](=O)[O-] ZINC000821476498 606134613 /nfs/dbraw/zinc/13/46/13/606134613.db2.gz OSCOVWQHBCFOQA-UHFFFAOYSA-N -1 3 372.345 0.973 20 5 FCBDHM CO[C@@H](C)c1noc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000821675092 606242148 /nfs/dbraw/zinc/24/21/48/606242148.db2.gz CTPUJBNPAMIGPT-ZETCQYMHSA-N -1 3 361.322 0.897 20 5 FCBDHM CO[C@@H](C)c1noc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000821675092 606242149 /nfs/dbraw/zinc/24/21/49/606242149.db2.gz CTPUJBNPAMIGPT-ZETCQYMHSA-N -1 3 361.322 0.897 20 5 FCBDHM Cc1cc(=O)n(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822159735 606785679 /nfs/dbraw/zinc/78/56/79/606785679.db2.gz CQKAOMQZCMQKBR-UHFFFAOYSA-N -1 3 355.314 0.884 20 5 FCBDHM 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/nfs/dbraw/zinc/87/35/33/607873533.db2.gz SEILTFNEWCVPAZ-LLVKDONJSA-N -1 3 365.346 0.710 20 5 FCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826327856 607955256 /nfs/dbraw/zinc/95/52/56/607955256.db2.gz WWRUVGBNKOJFKM-UHFFFAOYSA-N -1 3 354.330 0.869 20 5 FCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826327856 607955257 /nfs/dbraw/zinc/95/52/57/607955257.db2.gz WWRUVGBNKOJFKM-UHFFFAOYSA-N -1 3 354.330 0.869 20 5 FCBDHM Nc1c(-c2nnn[n-]2)cnn1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826395309 608011798 /nfs/dbraw/zinc/01/17/98/608011798.db2.gz WGEQTAIMCCHRSR-UHFFFAOYSA-N -1 3 353.302 0.918 20 5 FCBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826464219 609629643 /nfs/dbraw/zinc/62/96/43/609629643.db2.gz NMBLLTHENIMEPD-LBPRGKRZSA-N -1 3 359.302 0.248 20 5 FCBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464219 609629644 /nfs/dbraw/zinc/62/96/44/609629644.db2.gz NMBLLTHENIMEPD-LBPRGKRZSA-N -1 3 359.302 0.248 20 5 FCBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CN(C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000919982253 667214237 /nfs/dbraw/zinc/21/42/37/667214237.db2.gz RTYMSYQKEGPSMP-SMDDNHRTSA-N -1 3 374.438 0.955 20 5 FCBDHM O=C(NC1(C2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000153983 667263498 /nfs/dbraw/zinc/26/34/98/667263498.db2.gz NJYAYWPREAVEKW-GHMZBOCLSA-N -1 3 350.379 0.036 20 5 FCBDHM Cn1cc([C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000751455394 667468053 /nfs/dbraw/zinc/46/80/53/667468053.db2.gz VKQKDVSBBAHGLE-LLVKDONJSA-N -1 3 360.779 0.994 20 5 FCBDHM O=C1OCc2c1cccc2S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-] ZINC000759168059 667796460 /nfs/dbraw/zinc/79/64/60/667796460.db2.gz KGYPTUUTHFQWGD-UHFFFAOYSA-N -1 3 350.312 0.966 20 5 FCBDHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1n[n-]c(SCCO)n1 ZINC000764638987 667988574 /nfs/dbraw/zinc/98/85/74/667988574.db2.gz IZVPWVIOLBYYIY-UHFFFAOYSA-N -1 3 363.359 0.786 20 5 FCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCS(=O)(=O)CC2CC2)c(F)c1 ZINC000765230282 668003237 /nfs/dbraw/zinc/00/32/37/668003237.db2.gz KTZVBDPGXLBTJS-UHFFFAOYSA-N -1 3 366.392 0.837 20 5 FCBDHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000767374791 668050930 /nfs/dbraw/zinc/05/09/30/668050930.db2.gz BTWSATWKUIQGRQ-UHFFFAOYSA-N -1 3 364.351 0.733 20 5 FCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)C[C@H](O)c2ccccc2)nc1 ZINC000845904867 671049365 /nfs/dbraw/zinc/04/93/65/671049365.db2.gz ZRKGFANPYQAVPQ-JSGCOSHPSA-N -1 3 367.383 0.753 20 5 FCBDHM Cc1nc[nH]c1CC(=O)NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001580499894 1278410150 /nfs/dbraw/zinc/41/01/50/1278410150.db2.gz VEZMEJYGAGIZAH-UHFFFAOYSA-N -1 3 371.361 0.577 20 5 FCBDHM Nc1nccc(C(=O)NCCc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC001581910098 1280710329 /nfs/dbraw/zinc/71/03/29/1280710329.db2.gz JBGLEVSSODGKQG-UHFFFAOYSA-N -1 3 354.330 0.725 20 5 FCBDHM Nc1nccc(C(=O)NCCc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC001581910098 1280710333 /nfs/dbraw/zinc/71/03/33/1280710333.db2.gz JBGLEVSSODGKQG-UHFFFAOYSA-N -1 3 354.330 0.725 20 5 FCBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC[S@](=O)C1 ZINC001603940027 1287539437 /nfs/dbraw/zinc/53/94/37/1287539437.db2.gz QMGZNWVAHYSJTF-GPQZVPNXSA-N -1 3 351.392 0.562 20 5 FCBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC[S@](=O)C1 ZINC001603940027 1287539442 /nfs/dbraw/zinc/53/94/42/1287539442.db2.gz QMGZNWVAHYSJTF-GPQZVPNXSA-N -1 3 351.392 0.562 20 5 FCBDHM O=C1c2nccnc2C(=O)N1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001582790763 1282008691 /nfs/dbraw/zinc/00/86/91/1282008691.db2.gz NHRTYAWHHKEOAY-UHFFFAOYSA-N -1 3 352.270 0.361 20 5 FCBDHM O=C1c2nccnc2C(=O)N1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001582790763 1282008698 /nfs/dbraw/zinc/00/86/98/1282008698.db2.gz NHRTYAWHHKEOAY-UHFFFAOYSA-N -1 3 352.270 0.361 20 5 FCBDHM O=c1ncccn1CCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001582809564 1282033840 /nfs/dbraw/zinc/03/38/40/1282033840.db2.gz ZMSFFQCGFYQHKG-UHFFFAOYSA-N -1 3 360.309 0.973 20 5 FCBDHM O=c1ncccn1CCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001582809564 1282033845 /nfs/dbraw/zinc/03/38/45/1282033845.db2.gz ZMSFFQCGFYQHKG-UHFFFAOYSA-N -1 3 360.309 0.973 20 5 FCBDHM CC(=O)N1CCN(CCNc2cc(C)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001588822408 1282710122 /nfs/dbraw/zinc/71/01/22/1282710122.db2.gz ALTVTHISHZSHMJ-UHFFFAOYSA-N -1 3 374.405 0.659 20 5 FCBDHM CC(=O)NCC(C)(C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588852146 1282718515 /nfs/dbraw/zinc/71/85/15/1282718515.db2.gz RXZACQJWMPUDTF-UHFFFAOYSA-N -1 3 362.346 0.980 20 5 FCBDHM CC(=O)NCC(C)(C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588852146 1282718520 /nfs/dbraw/zinc/71/85/20/1282718520.db2.gz RXZACQJWMPUDTF-UHFFFAOYSA-N -1 3 362.346 0.980 20 5 FCBDHM C[C@@H](C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])N1C(=O)CCC1=O ZINC001589031252 1282780388 /nfs/dbraw/zinc/78/03/88/1282780388.db2.gz XKACSJRRYRIHBU-QMMMGPOBSA-N -1 3 374.313 0.356 20 5 FCBDHM C[C@@H](C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])N1C(=O)CCC1=O ZINC001589031252 1282780390 /nfs/dbraw/zinc/78/03/90/1282780390.db2.gz XKACSJRRYRIHBU-QMMMGPOBSA-N -1 3 374.313 0.356 20 5 FCBDHM CC(C)(C)OC(=O)[C@@](C)(O)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589145143 1282809176 /nfs/dbraw/zinc/80/91/76/1282809176.db2.gz HSASIJDDJQMIQM-AWEZNQCLSA-N -1 3 365.350 0.675 20 5 FCBDHM CC(C)(C)OC(=O)[C@@](C)(O)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589145143 1282809184 /nfs/dbraw/zinc/80/91/84/1282809184.db2.gz HSASIJDDJQMIQM-AWEZNQCLSA-N -1 3 365.350 0.675 20 5 FCBDHM CC(C)(CNS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589288221 1282830610 /nfs/dbraw/zinc/83/06/10/1282830610.db2.gz JJCXXRLMBMHQCY-UHFFFAOYSA-N -1 3 355.380 0.515 20 5 FCBDHM CC(C)(CNS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589288221 1282830617 /nfs/dbraw/zinc/83/06/17/1282830617.db2.gz JJCXXRLMBMHQCY-UHFFFAOYSA-N -1 3 355.380 0.515 20 5 FCBDHM C[C@](NC[C@@H](O)C1(O)CCOCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604333135 1287608628 /nfs/dbraw/zinc/60/86/28/1287608628.db2.gz PPRIYMMMCQRCSL-UKRRQHHQSA-N -1 3 354.359 0.387 20 5 FCBDHM CC(CO)(CO)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589881606 1283106919 /nfs/dbraw/zinc/10/69/19/1283106919.db2.gz XNJJDIQIRALEJC-UHFFFAOYSA-N -1 3 359.346 0.726 20 5 FCBDHM CC(CO)(CO)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589881606 1283106922 /nfs/dbraw/zinc/10/69/22/1283106922.db2.gz XNJJDIQIRALEJC-UHFFFAOYSA-N -1 3 359.346 0.726 20 5 FCBDHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590167027 1283261262 /nfs/dbraw/zinc/26/12/62/1283261262.db2.gz JSWGIMFRTLHKKU-ZJUUUORDSA-N -1 3 366.403 0.782 20 5 FCBDHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590167027 1283261268 /nfs/dbraw/zinc/26/12/68/1283261268.db2.gz JSWGIMFRTLHKKU-ZJUUUORDSA-N -1 3 366.403 0.782 20 5 FCBDHM C[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCS1(=O)=O ZINC001590212976 1283341574 /nfs/dbraw/zinc/34/15/74/1283341574.db2.gz XUKZJZHEUNRYJM-CBAPKCEASA-N -1 3 353.364 0.548 20 5 FCBDHM C[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCS1(=O)=O ZINC001590212976 1283341588 /nfs/dbraw/zinc/34/15/88/1283341588.db2.gz XUKZJZHEUNRYJM-CBAPKCEASA-N -1 3 353.364 0.548 20 5 FCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CCS1(=O)=O ZINC001590274646 1283401696 /nfs/dbraw/zinc/40/16/96/1283401696.db2.gz NXKVQBUFZSFXMN-QMMMGPOBSA-N -1 3 367.391 0.371 20 5 FCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CCS1(=O)=O ZINC001590274646 1283401699 /nfs/dbraw/zinc/40/16/99/1283401699.db2.gz NXKVQBUFZSFXMN-QMMMGPOBSA-N -1 3 367.391 0.371 20 5 FCBDHM CCN1CC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590731608 1283762230 /nfs/dbraw/zinc/76/22/30/1283762230.db2.gz YTBCYFWGXBLSLK-JTQLQIEISA-N -1 3 367.391 0.147 20 5 FCBDHM CCN1CC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590731608 1283762235 /nfs/dbraw/zinc/76/22/35/1283762235.db2.gz YTBCYFWGXBLSLK-JTQLQIEISA-N -1 3 367.391 0.147 20 5 FCBDHM CCN1CCN(C(=O)CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001590735242 1283774254 /nfs/dbraw/zinc/77/42/54/1283774254.db2.gz QHWYCTVYNYCSOZ-UHFFFAOYSA-N -1 3 360.378 0.351 20 5 FCBDHM CCN1CCN(C(=O)CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001590735242 1283774265 /nfs/dbraw/zinc/77/42/65/1283774265.db2.gz QHWYCTVYNYCSOZ-UHFFFAOYSA-N -1 3 360.378 0.351 20 5 FCBDHM CCNC(=O)N1CCN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590742744 1283792985 /nfs/dbraw/zinc/79/29/85/1283792985.db2.gz WJXIYXJZISXWDG-UHFFFAOYSA-N -1 3 360.378 0.622 20 5 FCBDHM CCNC(=O)N1CCN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590742744 1283792994 /nfs/dbraw/zinc/79/29/94/1283792994.db2.gz WJXIYXJZISXWDG-UHFFFAOYSA-N -1 3 360.378 0.622 20 5 FCBDHM CCOCCOC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590814157 1283893713 /nfs/dbraw/zinc/89/37/13/1283893713.db2.gz QPWIDNFDOVVCKO-NSHDSACASA-N -1 3 352.351 0.601 20 5 FCBDHM CCOCCOC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590814157 1283893724 /nfs/dbraw/zinc/89/37/24/1283893724.db2.gz QPWIDNFDOVVCKO-NSHDSACASA-N -1 3 352.351 0.601 20 5 FCBDHM CN(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC001591099003 1284167029 /nfs/dbraw/zinc/16/70/29/1284167029.db2.gz JSNZYVFSDMEAEK-UHFFFAOYSA-N -1 3 357.334 0.364 20 5 FCBDHM CN(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC001591099003 1284167039 /nfs/dbraw/zinc/16/70/39/1284167039.db2.gz JSNZYVFSDMEAEK-UHFFFAOYSA-N -1 3 357.334 0.364 20 5 FCBDHM CN(CCNC(=O)Cc1cnoc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591097656 1284167077 /nfs/dbraw/zinc/16/70/77/1284167077.db2.gz GSVJBKSDVMTGAD-UHFFFAOYSA-N -1 3 372.345 0.558 20 5 FCBDHM CN(CCNC(=O)Cc1cnoc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591097656 1284167081 /nfs/dbraw/zinc/16/70/81/1284167081.db2.gz GSVJBKSDVMTGAD-UHFFFAOYSA-N -1 3 372.345 0.558 20 5 FCBDHM CN(CCNC(=O)c1cc[nH]c1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591099019 1284167741 /nfs/dbraw/zinc/16/77/41/1284167741.db2.gz IFAZLNHNTPGGMH-UHFFFAOYSA-N -1 3 356.346 0.969 20 5 FCBDHM CN(CCNC(=O)c1cc[nH]c1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591099019 1284167743 /nfs/dbraw/zinc/16/77/43/1284167743.db2.gz IFAZLNHNTPGGMH-UHFFFAOYSA-N -1 3 356.346 0.969 20 5 FCBDHM CN(CCNC(=O)c1ccc[nH]1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591101079 1284168164 /nfs/dbraw/zinc/16/81/64/1284168164.db2.gz YNXDYNKZGJDVMV-UHFFFAOYSA-N -1 3 356.346 0.969 20 5 FCBDHM CN(CCNC(=O)c1ccc[nH]1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591101079 1284168170 /nfs/dbraw/zinc/16/81/70/1284168170.db2.gz YNXDYNKZGJDVMV-UHFFFAOYSA-N -1 3 356.346 0.969 20 5 FCBDHM CN(CCNC(=O)c1cccn1C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591100565 1284168705 /nfs/dbraw/zinc/16/87/05/1284168705.db2.gz JVGMCOSRVGIJBJ-UHFFFAOYSA-N -1 3 370.373 0.980 20 5 FCBDHM CN(CCNC(=O)c1cccn1C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591100565 1284168708 /nfs/dbraw/zinc/16/87/08/1284168708.db2.gz JVGMCOSRVGIJBJ-UHFFFAOYSA-N -1 3 370.373 0.980 20 5 FCBDHM CN1CCC[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1=O ZINC001591185749 1284294062 /nfs/dbraw/zinc/29/40/62/1284294062.db2.gz YSUQYGPZPOZQQY-LLVKDONJSA-N -1 3 360.330 0.687 20 5 FCBDHM CN1CCC[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1=O ZINC001591185749 1284294074 /nfs/dbraw/zinc/29/40/74/1284294074.db2.gz YSUQYGPZPOZQQY-LLVKDONJSA-N -1 3 360.330 0.687 20 5 FCBDHM CN1CCO[C@@H](CSc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001591195198 1284317965 /nfs/dbraw/zinc/31/79/65/1284317965.db2.gz WIVOLKDRIZBEEM-MRVPVSSYSA-N -1 3 351.392 0.780 20 5 FCBDHM CN1CCO[C@@H](CSc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001591195198 1284317968 /nfs/dbraw/zinc/31/79/68/1284317968.db2.gz WIVOLKDRIZBEEM-MRVPVSSYSA-N -1 3 351.392 0.780 20 5 FCBDHM COC1(OC)CCN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001591346964 1284484211 /nfs/dbraw/zinc/48/42/11/1284484211.db2.gz VQYBSUZHXUEKIU-ZDUSSCGKSA-N -1 3 364.362 0.331 20 5 FCBDHM COCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591366457 1284506209 /nfs/dbraw/zinc/50/62/09/1284506209.db2.gz PKLQOXYMGZXMJQ-UHFFFAOYSA-N -1 3 361.362 0.506 20 5 FCBDHM COCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591366457 1284506214 /nfs/dbraw/zinc/50/62/14/1284506214.db2.gz PKLQOXYMGZXMJQ-UHFFFAOYSA-N -1 3 361.362 0.506 20 5 FCBDHM COCCOCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591438043 1284592349 /nfs/dbraw/zinc/59/23/49/1284592349.db2.gz FCPGGUUBQQKOCL-UHFFFAOYSA-N -1 3 351.319 0.871 20 5 FCBDHM COCCOCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591438043 1284592353 /nfs/dbraw/zinc/59/23/53/1284592353.db2.gz FCPGGUUBQQKOCL-UHFFFAOYSA-N -1 3 351.319 0.871 20 5 FCBDHM CS(=O)(=O)NC[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591678789 1284817613 /nfs/dbraw/zinc/81/76/13/1284817613.db2.gz WVPGJGOFRDJQOC-VIFPVBQESA-N -1 3 367.391 0.150 20 5 FCBDHM CS(=O)(=O)NC[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591678789 1284817620 /nfs/dbraw/zinc/81/76/20/1284817620.db2.gz WVPGJGOFRDJQOC-VIFPVBQESA-N -1 3 367.391 0.150 20 5 FCBDHM CS(=O)(=O)N1CC(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591679985 1284820204 /nfs/dbraw/zinc/82/02/04/1284820204.db2.gz BKWFTUPLEBVLCC-UHFFFAOYSA-N -1 3 353.364 0.078 20 5 FCBDHM CS(=O)(=O)N1CC(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591679985 1284820215 /nfs/dbraw/zinc/82/02/15/1284820215.db2.gz BKWFTUPLEBVLCC-UHFFFAOYSA-N -1 3 353.364 0.078 20 5 FCBDHM Cc1c[nH]nc1C(=O)NCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591834424 1284939644 /nfs/dbraw/zinc/93/96/44/1284939644.db2.gz OZPXILIVCFCKCV-UHFFFAOYSA-N -1 3 357.334 0.648 20 5 FCBDHM Cc1c[nH]nc1C(=O)NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591834424 1284939653 /nfs/dbraw/zinc/93/96/53/1284939653.db2.gz OZPXILIVCFCKCV-UHFFFAOYSA-N -1 3 357.334 0.648 20 5 FCBDHM Cc1cc(-c2nnn[n-]2)cc(N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001591860431 1284955414 /nfs/dbraw/zinc/95/54/14/1284955414.db2.gz NSTRRSGQHFKHNX-UKRRQHHQSA-N -1 3 371.357 0.985 20 5 FCBDHM Cc1cc(-c2nn[n-]n2)cc(N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001591860431 1284955421 /nfs/dbraw/zinc/95/54/21/1284955421.db2.gz NSTRRSGQHFKHNX-UKRRQHHQSA-N -1 3 371.357 0.985 20 5 FCBDHM Cc1cc(N2CC[C@H](S(C)(=O)=O)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592002483 1285053408 /nfs/dbraw/zinc/05/34/08/1285053408.db2.gz XLAUBIDQPNGBEG-VIFPVBQESA-N -1 3 352.376 0.707 20 5 FCBDHM Cc1cc(N2CC[C@H](S(C)(=O)=O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592002483 1285053415 /nfs/dbraw/zinc/05/34/15/1285053415.db2.gz XLAUBIDQPNGBEG-VIFPVBQESA-N -1 3 352.376 0.707 20 5 FCBDHM Cc1cc(NC(=O)CN(C)c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])no1 ZINC001592017334 1285073038 /nfs/dbraw/zinc/07/30/38/1285073038.db2.gz NXLMPCFPQODKJN-UHFFFAOYSA-N -1 3 359.306 0.541 20 5 FCBDHM Cc1cc(NC(=O)CN(C)c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])no1 ZINC001592017334 1285073047 /nfs/dbraw/zinc/07/30/47/1285073047.db2.gz NXLMPCFPQODKJN-UHFFFAOYSA-N -1 3 359.306 0.541 20 5 FCBDHM CN(CCN(C)c1ncccc1[N+](=O)[O-])C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001604761340 1287767591 /nfs/dbraw/zinc/76/75/91/1287767591.db2.gz CNRNXUDMRCDIBP-UHFFFAOYSA-N -1 3 371.361 0.706 20 5 FCBDHM CN(CCN(C)c1ncccc1[N+](=O)[O-])C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001604761340 1287767594 /nfs/dbraw/zinc/76/75/94/1287767594.db2.gz CNRNXUDMRCDIBP-UHFFFAOYSA-N -1 3 371.361 0.706 20 5 FCBDHM CN(CCNC(=O)Cc1cc[nH]n1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604764574 1287771343 /nfs/dbraw/zinc/77/13/43/1287771343.db2.gz DKVLLXFHCYMDOE-UHFFFAOYSA-N -1 3 371.361 0.293 20 5 FCBDHM CN(CCNC(=O)Cc1cc[nH]n1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604764574 1287771345 /nfs/dbraw/zinc/77/13/45/1287771345.db2.gz DKVLLXFHCYMDOE-UHFFFAOYSA-N -1 3 371.361 0.293 20 5 FCBDHM CN(CCNC(=O)c1ncccn1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604771715 1287773068 /nfs/dbraw/zinc/77/30/68/1287773068.db2.gz QUWMDJDISGAYDT-UHFFFAOYSA-N -1 3 369.345 0.431 20 5 FCBDHM CN(CCNC(=O)c1ncccn1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604771715 1287773073 /nfs/dbraw/zinc/77/30/73/1287773073.db2.gz QUWMDJDISGAYDT-UHFFFAOYSA-N -1 3 369.345 0.431 20 5 FCBDHM CN(CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CCS(C)(=O)=O ZINC001604773308 1287774997 /nfs/dbraw/zinc/77/49/97/1287774997.db2.gz JOZIZRNCZQLSPH-UHFFFAOYSA-N -1 3 369.407 0.163 20 5 FCBDHM CN(CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])CCS(C)(=O)=O ZINC001604773308 1287775003 /nfs/dbraw/zinc/77/50/03/1287775003.db2.gz JOZIZRNCZQLSPH-UHFFFAOYSA-N -1 3 369.407 0.163 20 5 FCBDHM Cc1nn(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(=O)c(CO)c1C ZINC001592438052 1285367759 /nfs/dbraw/zinc/36/77/59/1285367759.db2.gz RFCIVIGZLKMGAQ-UHFFFAOYSA-N -1 3 357.330 0.489 20 5 FCBDHM Cc1nn(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(=O)c(CO)c1C ZINC001592438052 1285367766 /nfs/dbraw/zinc/36/77/66/1285367766.db2.gz RFCIVIGZLKMGAQ-UHFFFAOYSA-N -1 3 357.330 0.489 20 5 FCBDHM Cc1nn(C)c(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1[N+](=O)[O-] ZINC001592443233 1285381706 /nfs/dbraw/zinc/38/17/06/1285381706.db2.gz URLMUIJKSWJAMR-UHFFFAOYSA-N -1 3 370.377 0.538 20 5 FCBDHM Cc1nn(C)c(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1[N+](=O)[O-] ZINC001592443233 1285381714 /nfs/dbraw/zinc/38/17/14/1285381714.db2.gz URLMUIJKSWJAMR-UHFFFAOYSA-N -1 3 370.377 0.538 20 5 FCBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001604802828 1287786500 /nfs/dbraw/zinc/78/65/00/1287786500.db2.gz BMYMDSCKVQCGEH-UHFFFAOYSA-N -1 3 369.341 0.595 20 5 FCBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001604802828 1287786506 /nfs/dbraw/zinc/78/65/06/1287786506.db2.gz BMYMDSCKVQCGEH-UHFFFAOYSA-N -1 3 369.341 0.595 20 5 FCBDHM Cn1cc([N+](=O)[O-])c(C(=O)Nc2ncc3c(c2-c2nnn[n-]2)COCC3)n1 ZINC001592577581 1285495394 /nfs/dbraw/zinc/49/53/94/1285495394.db2.gz IQFGFNDFGSGIJO-UHFFFAOYSA-N -1 3 371.317 0.228 20 5 FCBDHM Cn1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001592579161 1285498820 /nfs/dbraw/zinc/49/88/20/1285498820.db2.gz HLPYLOMRXSDZBR-UHFFFAOYSA-N -1 3 356.346 0.955 20 5 FCBDHM Cn1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001592579161 1285498827 /nfs/dbraw/zinc/49/88/27/1285498827.db2.gz HLPYLOMRXSDZBR-UHFFFAOYSA-N -1 3 356.346 0.955 20 5 FCBDHM NC(=O)[C@H](F)C1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001592714997 1285603273 /nfs/dbraw/zinc/60/32/73/1285603273.db2.gz FDTYHYWFLIPARX-LLVKDONJSA-N -1 3 364.341 0.397 20 5 FCBDHM NC(=O)[C@H](F)C1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001592714997 1285603285 /nfs/dbraw/zinc/60/32/85/1285603285.db2.gz FDTYHYWFLIPARX-LLVKDONJSA-N -1 3 364.341 0.397 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(NCc2cc3n(n2)CCCO3)c1-c1nnn[n-]1 ZINC001592757537 1285680109 /nfs/dbraw/zinc/68/01/09/1285680109.db2.gz LLVIGIQREIAKOV-UHFFFAOYSA-N -1 3 357.334 0.948 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(NCc2cc3n(n2)CCCO3)c1-c1nn[n-]n1 ZINC001592757537 1285680115 /nfs/dbraw/zinc/68/01/15/1285680115.db2.gz LLVIGIQREIAKOV-UHFFFAOYSA-N -1 3 357.334 0.948 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC[C@@H](N3CCCC3=O)C2)c1-c1nnn[n-]1 ZINC001592757883 1285680229 /nfs/dbraw/zinc/68/02/29/1285680229.db2.gz TUKOIIATCDGKPO-SNVBAGLBSA-N -1 3 372.389 0.948 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC[C@@H](N3CCCC3=O)C2)c1-c1nn[n-]n1 ZINC001592757883 1285680232 /nfs/dbraw/zinc/68/02/32/1285680232.db2.gz TUKOIIATCDGKPO-SNVBAGLBSA-N -1 3 372.389 0.948 20 5 FCBDHM Nc1n[nH]c(C2CCN(c3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])CC2)n1 ZINC001592764154 1285686312 /nfs/dbraw/zinc/68/63/12/1285686312.db2.gz JDPYUHBPIJYZGY-UHFFFAOYSA-N -1 3 356.350 0.859 20 5 FCBDHM Nc1n[nH]c(C2CCN(c3c(-c4nn[n-]n4)cccc3[N+](=O)[O-])CC2)n1 ZINC001592764154 1285686320 /nfs/dbraw/zinc/68/63/20/1285686320.db2.gz JDPYUHBPIJYZGY-UHFFFAOYSA-N -1 3 356.350 0.859 20 5 FCBDHM O=C([C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC001592783862 1285708364 /nfs/dbraw/zinc/70/83/64/1285708364.db2.gz HPRZLZGVNOXYAY-SNVBAGLBSA-N -1 3 358.362 0.619 20 5 FCBDHM O=C([C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC001592783862 1285708366 /nfs/dbraw/zinc/70/83/66/1285708366.db2.gz HPRZLZGVNOXYAY-SNVBAGLBSA-N -1 3 358.362 0.619 20 5 FCBDHM CN(C)C(=O)[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)O1 ZINC001609263757 1289028044 /nfs/dbraw/zinc/02/80/44/1289028044.db2.gz XPQWKQMBVZMPDJ-ZWNOBZJWSA-N -1 3 361.362 0.823 20 5 FCBDHM O=C(NCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1cnco1 ZINC001593074623 1285970380 /nfs/dbraw/zinc/97/03/80/1285970380.db2.gz RSGKKLVTDXBRKJ-UHFFFAOYSA-N -1 3 358.318 0.995 20 5 FCBDHM O=C(NCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1cnco1 ZINC001593074623 1285970384 /nfs/dbraw/zinc/97/03/84/1285970384.db2.gz RSGKKLVTDXBRKJ-UHFFFAOYSA-N -1 3 358.318 0.995 20 5 FCBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccnnc1 ZINC001593092645 1285996535 /nfs/dbraw/zinc/99/65/35/1285996535.db2.gz LZDHBTJOMVKJAW-UHFFFAOYSA-N -1 3 355.318 0.407 20 5 FCBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccnnc1 ZINC001593092645 1285996544 /nfs/dbraw/zinc/99/65/44/1285996544.db2.gz LZDHBTJOMVKJAW-UHFFFAOYSA-N -1 3 355.318 0.407 20 5 FCBDHM O=C(Nc1ncc2c(c1-c1nnn[n-]1)COCC2)c1ccc([N+](=O)[O-])cn1 ZINC001593269049 1286055557 /nfs/dbraw/zinc/05/55/57/1286055557.db2.gz WRPNTCJKENGAAB-UHFFFAOYSA-N -1 3 368.313 0.890 20 5 FCBDHM O=C(Nc1ncc2c(c1-c1nn[n-]n1)COCC2)c1ccc([N+](=O)[O-])cn1 ZINC001593269049 1286055560 /nfs/dbraw/zinc/05/55/60/1286055560.db2.gz WRPNTCJKENGAAB-UHFFFAOYSA-N -1 3 368.313 0.890 20 5 FCBDHM O=C(c1c[nH]nc1[N+](=O)[O-])N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001593321165 1286072512 /nfs/dbraw/zinc/07/25/12/1286072512.db2.gz ZEAFLLUUQKHCCL-LBPRGKRZSA-N -1 3 370.329 0.712 20 5 FCBDHM O=C(c1c[nH]nc1[N+](=O)[O-])N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001593321165 1286072515 /nfs/dbraw/zinc/07/25/15/1286072515.db2.gz ZEAFLLUUQKHCCL-LBPRGKRZSA-N -1 3 370.329 0.712 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1C[C@@H](O)CC2(CCOCC2)C1 ZINC001593470920 1286172407 /nfs/dbraw/zinc/17/24/07/1286172407.db2.gz QOULLYWLYWGECP-NSHDSACASA-N -1 3 361.362 0.538 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1C[C@@H](O)CC2(CCOCC2)C1 ZINC001593470920 1286172410 /nfs/dbraw/zinc/17/24/10/1286172410.db2.gz QOULLYWLYWGECP-NSHDSACASA-N -1 3 361.362 0.538 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@H]1CCCS1(=O)=O ZINC001593468481 1286172442 /nfs/dbraw/zinc/17/24/42/1286172442.db2.gz MCYOSMGTVHTPGY-SSDOTTSWSA-N -1 3 356.339 0.903 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@H]1CCCS1(=O)=O ZINC001593468481 1286172446 /nfs/dbraw/zinc/17/24/46/1286172446.db2.gz MCYOSMGTVHTPGY-SSDOTTSWSA-N -1 3 356.339 0.903 20 5 FCBDHM O=[N+]([O-])c1cnc(NCCS(=O)(=O)N2CCCC2)c(-c2nnn[n-]2)c1 ZINC001593485036 1286174474 /nfs/dbraw/zinc/17/44/74/1286174474.db2.gz OOUWXGGKUVLYDU-UHFFFAOYSA-N -1 3 368.379 0.007 20 5 FCBDHM O=[N+]([O-])c1cnc(NCCS(=O)(=O)N2CCCC2)c(-c2nn[n-]n2)c1 ZINC001593485036 1286174479 /nfs/dbraw/zinc/17/44/79/1286174479.db2.gz OOUWXGGKUVLYDU-UHFFFAOYSA-N -1 3 368.379 0.007 20 5 FCBDHM O=[N+]([O-])c1cccnc1N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001593486790 1286175825 /nfs/dbraw/zinc/17/58/25/1286175825.db2.gz MHCBOLNRBPPATP-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM O=[N+]([O-])c1cccnc1N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001593486790 1286175829 /nfs/dbraw/zinc/17/58/29/1286175829.db2.gz MHCBOLNRBPPATP-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM O=[N+]([O-])c1cnc(NCc2ncc3c(n2)CCOC3)c(-c2nnn[n-]2)c1 ZINC001593487025 1286175837 /nfs/dbraw/zinc/17/58/37/1286175837.db2.gz HZCLWNHNODOXMO-UHFFFAOYSA-N -1 3 355.318 0.645 20 5 FCBDHM O=[N+]([O-])c1cnc(NCc2ncc3c(n2)CCOC3)c(-c2nn[n-]n2)c1 ZINC001593487025 1286175841 /nfs/dbraw/zinc/17/58/41/1286175841.db2.gz HZCLWNHNODOXMO-UHFFFAOYSA-N -1 3 355.318 0.645 20 5 FCBDHM O=c1c2ccccc2nnn1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001593494505 1286179188 /nfs/dbraw/zinc/17/91/88/1286179188.db2.gz MVBHAKBOMACATC-UHFFFAOYSA-N -1 3 350.298 0.928 20 5 FCBDHM O=c1c2ccccc2nnn1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001593494505 1286179192 /nfs/dbraw/zinc/17/91/92/1286179192.db2.gz MVBHAKBOMACATC-UHFFFAOYSA-N -1 3 350.298 0.928 20 5 FCBDHM CNS(=O)(=O)[C@H]1CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001609290100 1289058236 /nfs/dbraw/zinc/05/82/36/1289058236.db2.gz MIEYOJGVTSXPJD-JTQLQIEISA-N -1 3 367.391 0.293 20 5 FCBDHM CNS(=O)(=O)[C@H]1CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001609290100 1289058245 /nfs/dbraw/zinc/05/82/45/1289058245.db2.gz MIEYOJGVTSXPJD-JTQLQIEISA-N -1 3 367.391 0.293 20 5 FCBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001600551754 1286507018 /nfs/dbraw/zinc/50/70/18/1286507018.db2.gz BFYUNMULWLRENW-GFCCVEGCSA-N -1 3 350.375 0.790 20 5 FCBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001609325703 1289097354 /nfs/dbraw/zinc/09/73/54/1289097354.db2.gz VOFSBQLHSDIXDO-UHFFFAOYSA-N -1 3 372.345 0.787 20 5 FCBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001609325703 1289097360 /nfs/dbraw/zinc/09/73/60/1289097360.db2.gz VOFSBQLHSDIXDO-UHFFFAOYSA-N -1 3 372.345 0.787 20 5 FCBDHM CNC(=O)Cn1cc(Nc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC001604883514 1287806566 /nfs/dbraw/zinc/80/65/66/1287806566.db2.gz RYWICXOHZIOHCZ-UHFFFAOYSA-N -1 3 357.334 0.769 20 5 FCBDHM CNC(=O)Cn1cc(Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC001604883514 1287806567 /nfs/dbraw/zinc/80/65/67/1287806567.db2.gz RYWICXOHZIOHCZ-UHFFFAOYSA-N -1 3 357.334 0.769 20 5 FCBDHM CNS(=O)(=O)C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604893830 1287809394 /nfs/dbraw/zinc/80/93/94/1287809394.db2.gz WTZXFBAQHXHXSS-JTQLQIEISA-N -1 3 367.391 0.293 20 5 FCBDHM COC(=O)c1cc(C2CN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])C2)[nH]n1 ZINC001604969140 1287824519 /nfs/dbraw/zinc/82/45/19/1287824519.db2.gz MNXSPFONYXBZNJ-UHFFFAOYSA-N -1 3 370.329 0.888 20 5 FCBDHM COC(=O)c1cc(C2CN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])C2)[nH]n1 ZINC001604969140 1287824527 /nfs/dbraw/zinc/82/45/27/1287824527.db2.gz MNXSPFONYXBZNJ-UHFFFAOYSA-N -1 3 370.329 0.888 20 5 FCBDHM COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001604968250 1287824746 /nfs/dbraw/zinc/82/47/46/1287824746.db2.gz RTPKMWHADORWKS-UHFFFAOYSA-N -1 3 374.288 0.911 20 5 FCBDHM COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001604968250 1287824750 /nfs/dbraw/zinc/82/47/50/1287824750.db2.gz RTPKMWHADORWKS-UHFFFAOYSA-N -1 3 374.288 0.911 20 5 FCBDHM COCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC001605037992 1287845942 /nfs/dbraw/zinc/84/59/42/1287845942.db2.gz DSJRMHVDVILGAR-UHFFFAOYSA-N -1 3 361.362 0.872 20 5 FCBDHM COCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC001605037992 1287845948 /nfs/dbraw/zinc/84/59/48/1287845948.db2.gz DSJRMHVDVILGAR-UHFFFAOYSA-N -1 3 361.362 0.872 20 5 FCBDHM CS(=O)(=O)[C@H]1CCCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001605352570 1287933735 /nfs/dbraw/zinc/93/37/35/1287933735.db2.gz TUDHUYGNYTZFBM-JTQLQIEISA-N -1 3 367.391 0.573 20 5 FCBDHM CS(=O)(=O)[C@H]1CCCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001605352570 1287933740 /nfs/dbraw/zinc/93/37/40/1287933740.db2.gz TUDHUYGNYTZFBM-JTQLQIEISA-N -1 3 367.391 0.573 20 5 FCBDHM Cc1cc(N(C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)ncc1[N+](=O)[O-] ZINC001605687953 1288051318 /nfs/dbraw/zinc/05/13/18/1288051318.db2.gz DXRDCFUQANPRAU-UHFFFAOYSA-N -1 3 371.361 0.673 20 5 FCBDHM Cc1cc(N(C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)ncc1[N+](=O)[O-] ZINC001605687953 1288051326 /nfs/dbraw/zinc/05/13/26/1288051326.db2.gz DXRDCFUQANPRAU-UHFFFAOYSA-N -1 3 371.361 0.673 20 5 FCBDHM Cc1cc(NCCCNS(C)(=O)=O)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605733628 1288065315 /nfs/dbraw/zinc/06/53/15/1288065315.db2.gz IDJHHEGORNDVAL-UHFFFAOYSA-N -1 3 355.380 0.435 20 5 FCBDHM Cc1cc(NCCCNS(C)(=O)=O)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605733628 1288065323 /nfs/dbraw/zinc/06/53/23/1288065323.db2.gz IDJHHEGORNDVAL-UHFFFAOYSA-N -1 3 355.380 0.435 20 5 FCBDHM Cc1cc(NCCNC(=O)c2ccn[nH]2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605736787 1288066910 /nfs/dbraw/zinc/06/69/10/1288066910.db2.gz TYZIXEZCIXRWRP-UHFFFAOYSA-N -1 3 357.334 0.648 20 5 FCBDHM Cc1cc(NCCNC(=O)c2ccn[nH]2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605736787 1288066917 /nfs/dbraw/zinc/06/69/17/1288066917.db2.gz TYZIXEZCIXRWRP-UHFFFAOYSA-N -1 3 357.334 0.648 20 5 FCBDHM Cc1cncn1CC(=O)NCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605987874 1288121096 /nfs/dbraw/zinc/12/10/96/1288121096.db2.gz WJUSUDMIKGQOOA-UHFFFAOYSA-N -1 3 371.361 0.508 20 5 FCBDHM Cc1cncn1CC(=O)NCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605987874 1288121098 /nfs/dbraw/zinc/12/10/98/1288121098.db2.gz WJUSUDMIKGQOOA-UHFFFAOYSA-N -1 3 371.361 0.508 20 5 FCBDHM Cc1nc(N2CC[C@@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)ncc1[N+](=O)[O-] ZINC001606050217 1288147337 /nfs/dbraw/zinc/14/73/37/1288147337.db2.gz FNZCCEWIUOXNKN-LLVKDONJSA-N -1 3 369.345 0.926 20 5 FCBDHM Cc1nc(N2CC[C@@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)ncc1[N+](=O)[O-] ZINC001606050217 1288147341 /nfs/dbraw/zinc/14/73/41/1288147341.db2.gz FNZCCEWIUOXNKN-LLVKDONJSA-N -1 3 369.345 0.926 20 5 FCBDHM Cc1ncc(C(=O)NCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1C ZINC001606087271 1288158985 /nfs/dbraw/zinc/15/89/85/1288158985.db2.gz OJCGVMIYTSSZME-UHFFFAOYSA-N -1 3 371.361 0.659 20 5 FCBDHM Cc1ncc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1C ZINC001606087271 1288158991 /nfs/dbraw/zinc/15/89/91/1288158991.db2.gz OJCGVMIYTSSZME-UHFFFAOYSA-N -1 3 371.361 0.659 20 5 FCBDHM Cc1ocnc1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001606177570 1288200742 /nfs/dbraw/zinc/20/07/42/1288200742.db2.gz CKXNHYHLYBRFMH-UHFFFAOYSA-N -1 3 372.345 0.938 20 5 FCBDHM Cc1ocnc1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001606177570 1288200747 /nfs/dbraw/zinc/20/07/47/1288200747.db2.gz CKXNHYHLYBRFMH-UHFFFAOYSA-N -1 3 372.345 0.938 20 5 FCBDHM NS(=O)(=O)C1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC001606440010 1288319405 /nfs/dbraw/zinc/31/94/05/1288319405.db2.gz FZDKEADHMQXIHJ-UHFFFAOYSA-N -1 3 353.364 0.398 20 5 FCBDHM NS(=O)(=O)C1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC001606440010 1288319408 /nfs/dbraw/zinc/31/94/08/1288319408.db2.gz FZDKEADHMQXIHJ-UHFFFAOYSA-N -1 3 353.364 0.398 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC(N3CCOC3=O)CC2)c1-c1nnn[n-]1 ZINC001606450784 1288323366 /nfs/dbraw/zinc/32/33/66/1288323366.db2.gz OIGZCNTZBIDJOB-UHFFFAOYSA-N -1 3 374.361 0.778 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC(N3CCOC3=O)CC2)c1-c1nn[n-]n1 ZINC001606450784 1288323375 /nfs/dbraw/zinc/32/33/75/1288323375.db2.gz OIGZCNTZBIDJOB-UHFFFAOYSA-N -1 3 374.361 0.778 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001606616269 1288410526 /nfs/dbraw/zinc/41/05/26/1288410526.db2.gz MZZYJIWWGAXDRB-LBPRGKRZSA-N -1 3 354.330 0.255 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001606616269 1288410529 /nfs/dbraw/zinc/41/05/29/1288410529.db2.gz MZZYJIWWGAXDRB-LBPRGKRZSA-N -1 3 354.330 0.255 20 5 FCBDHM O=C(NC1CC1)C1(C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001606647094 1288422794 /nfs/dbraw/zinc/42/27/94/1288422794.db2.gz FBKNARCYUSZGPL-UHFFFAOYSA-N -1 3 372.341 0.877 20 5 FCBDHM O=C(NC1CC1)C1(C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001606647094 1288422798 /nfs/dbraw/zinc/42/27/98/1288422798.db2.gz FBKNARCYUSZGPL-UHFFFAOYSA-N -1 3 372.341 0.877 20 5 FCBDHM O=C(NC1CC1)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001606653647 1288425167 /nfs/dbraw/zinc/42/51/67/1288425167.db2.gz NZTLFQQOPPCQAV-SECBINFHSA-N -1 3 358.362 0.665 20 5 FCBDHM O=C(NC1CC1)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001606653647 1288425171 /nfs/dbraw/zinc/42/51/71/1288425171.db2.gz NZTLFQQOPPCQAV-SECBINFHSA-N -1 3 358.362 0.665 20 5 FCBDHM O=C(NCC1(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1)c1cn[nH]c1 ZINC001606709748 1288460775 /nfs/dbraw/zinc/46/07/75/1288460775.db2.gz GXJUDYYEUMFMQJ-UHFFFAOYSA-N -1 3 369.345 0.873 20 5 FCBDHM O=C(NCC1(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1)c1cn[nH]c1 ZINC001606709748 1288460779 /nfs/dbraw/zinc/46/07/79/1288460779.db2.gz GXJUDYYEUMFMQJ-UHFFFAOYSA-N -1 3 369.345 0.873 20 5 FCBDHM O=C1OCC[C@@H]1N1CCC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001607054121 1288624279 /nfs/dbraw/zinc/62/42/79/1288624279.db2.gz BXLPBXBLAPXTDD-ZDUSSCGKSA-N -1 3 373.373 0.967 20 5 FCBDHM O=C1OCC[C@@H]1N1CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001607054121 1288624283 /nfs/dbraw/zinc/62/42/83/1288624283.db2.gz BXLPBXBLAPXTDD-ZDUSSCGKSA-N -1 3 373.373 0.967 20 5 FCBDHM O=[N+]([O-])c1cc(NCCS(=O)(=O)NC2CC2)ccc1-c1nnn[n-]1 ZINC001607079301 1288649891 /nfs/dbraw/zinc/64/98/91/1288649891.db2.gz FSYDASACIVPLBO-UHFFFAOYSA-N -1 3 353.364 0.269 20 5 FCBDHM O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(-c2nnn[n-]2)c1 ZINC001607082187 1288651978 /nfs/dbraw/zinc/65/19/78/1288651978.db2.gz QOZPZQLDKXUGIC-MNOVXSKESA-N -1 3 364.387 0.931 20 5 FCBDHM O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(-c2nn[n-]n2)c1 ZINC001607082187 1288651982 /nfs/dbraw/zinc/65/19/82/1288651982.db2.gz QOZPZQLDKXUGIC-MNOVXSKESA-N -1 3 364.387 0.931 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCN(Cc2cn[nH]c2)CC1 ZINC001607083463 1288652464 /nfs/dbraw/zinc/65/24/64/1288652464.db2.gz HHDSVLHNZOLKQU-UHFFFAOYSA-N -1 3 355.362 0.820 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCN(Cc2cn[nH]c2)CC1 ZINC001607083463 1288652465 /nfs/dbraw/zinc/65/24/65/1288652465.db2.gz HHDSVLHNZOLKQU-UHFFFAOYSA-N -1 3 355.362 0.820 20 5 FCBDHM O=[N+]([O-])c1ccc(N2CCN(c3ncccn3)CC2)c(-c2nnn[n-]2)c1 ZINC001607081721 1288652571 /nfs/dbraw/zinc/65/25/71/1288652571.db2.gz FZKSPGXKMAPTSG-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM O=[N+]([O-])c1ccc(N2CCN(c3ncccn3)CC2)c(-c2nn[n-]n2)c1 ZINC001607081721 1288652577 /nfs/dbraw/zinc/65/25/77/1288652577.db2.gz FZKSPGXKMAPTSG-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM O=C1N=NCN1C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001607089554 1288656013 /nfs/dbraw/zinc/65/60/13/1288656013.db2.gz ZJSMWEFGBNZODO-UHFFFAOYSA-N -1 3 357.334 0.914 20 5 FCBDHM O=C1N=NCN1C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001607089554 1288656016 /nfs/dbraw/zinc/65/60/16/1288656016.db2.gz ZJSMWEFGBNZODO-UHFFFAOYSA-N -1 3 357.334 0.914 20 5 FCBDHM O=C([O-])C[C@@]1(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC001608688069 1288865307 /nfs/dbraw/zinc/86/53/07/1288865307.db2.gz WWYKVKOEMFHZGG-HNNXBMFYSA-N -1 3 372.399 0.982 20 5 FCBDHM Nc1nccc([C@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)n1 ZINC001609513141 1289189778 /nfs/dbraw/zinc/18/97/78/1289189778.db2.gz OQYXIDAXUJWVRN-VIFPVBQESA-N -1 3 368.361 0.926 20 5 FCBDHM Nc1nccc([C@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)n1 ZINC001609513141 1289189781 /nfs/dbraw/zinc/18/97/81/1289189781.db2.gz OQYXIDAXUJWVRN-VIFPVBQESA-N -1 3 368.361 0.926 20 5 FCBDHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000748145383 836287805 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373.329 0.982 20 5 FCBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000820769531 606225483 /nfs/dbraw/zinc/22/54/83/606225483.db2.gz VIPIVLGRUKVGDW-IAQYHMDHSA-N -1 3 359.390 0.932 20 5 FCBDHM CC(C)OCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820146927 606330275 /nfs/dbraw/zinc/33/02/75/606330275.db2.gz UXPRLNORLLWJEN-UHFFFAOYSA-N -1 3 357.348 0.909 20 5 FCBDHM CC(C)OCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820146927 606330277 /nfs/dbraw/zinc/33/02/77/606330277.db2.gz UXPRLNORLLWJEN-UHFFFAOYSA-N -1 3 357.348 0.909 20 5 FCBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])cn1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823027431 606797264 /nfs/dbraw/zinc/79/72/64/606797264.db2.gz UTMWQQLZBRERMG-UHFFFAOYSA-N -1 3 369.297 0.965 20 5 FCBDHM O=C(COC(=O)c1ccc([N+](=O)[O-])cn1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823027431 606797266 /nfs/dbraw/zinc/79/72/66/606797266.db2.gz UTMWQQLZBRERMG-UHFFFAOYSA-N -1 3 369.297 0.965 20 5 FCBDHM NC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822850374 606797624 /nfs/dbraw/zinc/79/76/24/606797624.db2.gz FUZKMHOZARUERK-GFCCVEGCSA-N -1 3 369.297 0.553 20 5 FCBDHM NC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822850374 606797625 /nfs/dbraw/zinc/79/76/25/606797625.db2.gz FUZKMHOZARUERK-GFCCVEGCSA-N -1 3 369.297 0.553 20 5 FCBDHM CN(C(=O)Cn1cnc([N+](=O)[O-])n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821571924 606964991 /nfs/dbraw/zinc/96/49/91/606964991.db2.gz LABRHPJPZYKQFK-UHFFFAOYSA-N -1 3 363.725 0.683 20 5 FCBDHM CN(C(=O)Cn1cnc([N+](=O)[O-])n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821571924 606964993 /nfs/dbraw/zinc/96/49/93/606964993.db2.gz LABRHPJPZYKQFK-UHFFFAOYSA-N -1 3 363.725 0.683 20 5 FCBDHM Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2sccc2-c2nnn[n-]2)c1=O ZINC000822213142 607170650 /nfs/dbraw/zinc/17/06/50/607170650.db2.gz WKAPOIZAQRWHCJ-UHFFFAOYSA-N -1 3 361.343 0.945 20 5 FCBDHM Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2sccc2-c2nn[n-]n2)c1=O ZINC000822213142 607170651 /nfs/dbraw/zinc/17/06/51/607170651.db2.gz WKAPOIZAQRWHCJ-UHFFFAOYSA-N -1 3 361.343 0.945 20 5 FCBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000820543314 607178171 /nfs/dbraw/zinc/17/81/71/607178171.db2.gz YGIBMDMRYZGVMK-SNVBAGLBSA-N -1 3 372.345 0.555 20 5 FCBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000820543314 607178172 /nfs/dbraw/zinc/17/81/72/607178172.db2.gz YGIBMDMRYZGVMK-SNVBAGLBSA-N -1 3 372.345 0.555 20 5 FCBDHM CN(CC(C)(C)S(C)(=O)=O)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825897481 608148910 /nfs/dbraw/zinc/14/89/10/608148910.db2.gz GZQKVHXOUZQUGU-UHFFFAOYSA-N -1 3 355.380 0.429 20 5 FCBDHM CN(CC(C)(C)S(C)(=O)=O)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825897481 608148912 /nfs/dbraw/zinc/14/89/12/608148912.db2.gz GZQKVHXOUZQUGU-UHFFFAOYSA-N -1 3 355.380 0.429 20 5 FCBDHM CC(=O)N[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000823989264 608162370 /nfs/dbraw/zinc/16/23/70/608162370.db2.gz RKIPAQMMCZXNCC-RXMQYKEDSA-N -1 3 353.726 0.891 20 5 FCBDHM CC(=O)N[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000823989264 608162371 /nfs/dbraw/zinc/16/23/71/608162371.db2.gz RKIPAQMMCZXNCC-RXMQYKEDSA-N -1 3 353.726 0.891 20 5 FCBDHM COc1ccc(COC(=O)c2nn(C)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826206746 608255279 /nfs/dbraw/zinc/25/52/79/608255279.db2.gz JMDQVWRDZICZMD-UHFFFAOYSA-N -1 3 359.302 0.874 20 5 FCBDHM COc1ccc(COC(=O)c2nn(C)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826206746 608255281 /nfs/dbraw/zinc/25/52/81/608255281.db2.gz JMDQVWRDZICZMD-UHFFFAOYSA-N -1 3 359.302 0.874 20 5 FCBDHM Cn1cc([N+](=O)[O-])c(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826363144 608255944 /nfs/dbraw/zinc/25/59/44/608255944.db2.gz ZPFLXBUFYPXSOM-UHFFFAOYSA-N -1 3 359.302 0.744 20 5 FCBDHM Cn1cc([N+](=O)[O-])c(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826362824 608255974 /nfs/dbraw/zinc/25/59/74/608255974.db2.gz KASVVLJAQMJJDH-UHFFFAOYSA-N -1 3 359.302 0.744 20 5 FCBDHM Cn1cc([N+](=O)[O-])c(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826362824 608255976 /nfs/dbraw/zinc/25/59/76/608255976.db2.gz KASVVLJAQMJJDH-UHFFFAOYSA-N -1 3 359.302 0.744 20 5 FCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826366299 608382759 /nfs/dbraw/zinc/38/27/59/608382759.db2.gz BASJCOMORYWCAX-UHFFFAOYSA-N -1 3 354.330 0.928 20 5 FCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826366299 608382761 /nfs/dbraw/zinc/38/27/61/608382761.db2.gz BASJCOMORYWCAX-UHFFFAOYSA-N -1 3 354.330 0.928 20 5 FCBDHM CN(C)C(=O)[C@@H]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)O1 ZINC000825839914 608412135 /nfs/dbraw/zinc/41/21/35/608412135.db2.gz LKVBQMBGOIZENC-KOLCDFICSA-N -1 3 362.350 0.218 20 5 FCBDHM CN(C)C(=O)[C@@H]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)O1 ZINC000825839914 608412137 /nfs/dbraw/zinc/41/21/37/608412137.db2.gz LKVBQMBGOIZENC-KOLCDFICSA-N -1 3 362.350 0.218 20 5 FCBDHM O=[N+]([O-])c1ccc(N2CCN(c3cnccc3-c3nnn[n-]3)CC2)nc1 ZINC000826499052 608780256 /nfs/dbraw/zinc/78/02/56/608780256.db2.gz TYEMUIKGJNYVMR-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM O=[N+]([O-])c1ccc(N2CCN(c3cnccc3-c3nn[n-]n3)CC2)nc1 ZINC000826499052 608780257 /nfs/dbraw/zinc/78/02/57/608780257.db2.gz TYEMUIKGJNYVMR-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM O=C1[N-]C(=O)c2cc(S(=O)(=O)NN=c3[nH]cccc3[N+](=O)[O-])ccc21 ZINC000759167744 667796050 /nfs/dbraw/zinc/79/60/50/667796050.db2.gz CRAVLVGUZGVXNN-UHFFFAOYSA-N -1 3 363.311 0.179 20 5 FCBDHM CCNS(=O)(=O)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000825476765 669455927 /nfs/dbraw/zinc/45/59/27/669455927.db2.gz VIPDJWLDQKYKQA-SNVBAGLBSA-N -1 3 367.391 0.293 20 5 FCBDHM CCNS(=O)(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000825476765 669455934 /nfs/dbraw/zinc/45/59/34/669455934.db2.gz VIPDJWLDQKYKQA-SNVBAGLBSA-N -1 3 367.391 0.293 20 5 FCBDHM COCCCS(=O)(=O)[N-]Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812814344 669816573 /nfs/dbraw/zinc/81/65/73/669816573.db2.gz FVQPFJWWZQLHPC-UHFFFAOYSA-N -1 3 350.397 0.513 20 5 FCBDHM CCN(CCO)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815033642 669896404 /nfs/dbraw/zinc/89/64/04/669896404.db2.gz NVPAAFBCTQQQRK-UHFFFAOYSA-N -1 3 369.802 0.980 20 5 FCBDHM O=C(NC1CC2(C1)CC(NC(=O)[C@@H]1CC1[N+](=O)[O-])C2)c1ncccc1[O-] ZINC001013993425 1213914820 /nfs/dbraw/zinc/91/48/20/1213914820.db2.gz VGHCRYOUYJKSAL-HDMLSFSOSA-N -1 3 360.370 0.610 20 5 FCBDHM CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)c2ncccc2[O-])CC1 ZINC001069322926 1216783902 /nfs/dbraw/zinc/78/39/02/1216783902.db2.gz WQDOVCVVOJHXTE-VXGBXAGGSA-N -1 3 362.386 0.953 20 5 FCBDHM O=c1[nH]c2nc(O[C@H]3CCN(c4ccc([N+](=O)[O-])cn4)C3)[n-]c2c(=O)[nH]1 ZINC001227429428 1225874548 /nfs/dbraw/zinc/87/45/48/1225874548.db2.gz CNCMABNERXBOBY-QMMMGPOBSA-N -1 3 359.302 0.725 20 5 FCBDHM O=c1[nH]c2nc(O[C@H]3CCN(c4ccc([N+](=O)[O-])cn4)C3)nc-2c([O-])[nH]1 ZINC001227429428 1225874550 /nfs/dbraw/zinc/87/45/50/1225874550.db2.gz CNCMABNERXBOBY-QMMMGPOBSA-N -1 3 359.302 0.725 20 5 FCBDHM O=[N+]([O-])c1cnc(OC[C@@H]2COCCOCCOCCO2)c2[n-]cnc21 ZINC001227690129 1225882049 /nfs/dbraw/zinc/88/20/49/1225882049.db2.gz GFMDSKFXNOSPPU-NSHDSACASA-N -1 3 368.346 0.694 20 5 FCBDHM COC(=O)c1cnc(=O)[n-]c1O[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001229871387 1226038256 /nfs/dbraw/zinc/03/82/56/1226038256.db2.gz VKKSOBOEZBZSGG-JTQLQIEISA-N -1 3 361.314 0.930 20 5 FCBDHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)n1 ZINC001303722914 1263114666 /nfs/dbraw/zinc/11/46/66/1263114666.db2.gz KOBDLHCWWNJSPG-UHFFFAOYSA-N -1 3 358.358 0.943 20 5 FCBDHM CN(CCNC(=O)c1cn(C)cn1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001579201143 1276982324 /nfs/dbraw/zinc/98/23/24/1276982324.db2.gz FOZQATOTFFYECM-UHFFFAOYSA-N -1 3 371.361 0.375 20 5 FCBDHM CN(CCNC(=O)c1cn(C)cn1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001579201143 1276982325 /nfs/dbraw/zinc/98/23/25/1276982325.db2.gz FOZQATOTFFYECM-UHFFFAOYSA-N -1 3 371.361 0.375 20 5 FCBDHM CN(CCNC(=O)c1cnn(C)c1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001579201355 1276983898 /nfs/dbraw/zinc/98/38/98/1276983898.db2.gz MADDSHIVHRBYRH-UHFFFAOYSA-N -1 3 371.361 0.375 20 5 FCBDHM CN(CCNC(=O)c1cnn(C)c1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001579201355 1276983906 /nfs/dbraw/zinc/98/39/06/1276983906.db2.gz MADDSHIVHRBYRH-UHFFFAOYSA-N -1 3 371.361 0.375 20 5 FCBDHM COC(=O)C[C@H]1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001579447232 1277335819 /nfs/dbraw/zinc/33/58/19/1277335819.db2.gz FGDXDNKNXVVTKA-QMMMGPOBSA-N -1 3 366.309 0.682 20 5 FCBDHM COC(=O)C[C@H]1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001579447232 1277335831 /nfs/dbraw/zinc/33/58/31/1277335831.db2.gz FGDXDNKNXVVTKA-QMMMGPOBSA-N -1 3 366.309 0.682 20 5 FCBDHM CC(C)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CS(N)(=O)=O ZINC001603150942 1287315162 /nfs/dbraw/zinc/31/51/62/1287315162.db2.gz ZPCLJFWVJDZOPT-UHFFFAOYSA-N -1 3 355.380 0.502 20 5 FCBDHM CC(C)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CS(N)(=O)=O 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/nfs/dbraw/zinc/17/23/51/1286172351.db2.gz ANENDGSJEAINKF-LBPRGKRZSA-N -1 3 360.378 0.471 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCC(CCO)(CCO)CC2)c(-c2nnn[n-]2)c1 ZINC001593486028 1286173602 /nfs/dbraw/zinc/17/36/02/1286173602.db2.gz JHUVWRRIGQKHKT-UHFFFAOYSA-N -1 3 363.378 0.521 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCC(CCO)(CCO)CC2)c(-c2nn[n-]n2)c1 ZINC001593486028 1286173604 /nfs/dbraw/zinc/17/36/04/1286173604.db2.gz JHUVWRRIGQKHKT-UHFFFAOYSA-N -1 3 363.378 0.521 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@](O)(CO)C3)cc(-c3nnn[n-]3)c2c1 ZINC001593480938 1286174048 /nfs/dbraw/zinc/17/40/48/1286174048.db2.gz SMHYTONOHGDLHU-INIZCTEOSA-N -1 3 371.357 0.647 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@](O)(CO)C3)cc(-c3nn[n-]n3)c2c1 ZINC001593480938 1286174053 /nfs/dbraw/zinc/17/40/53/1286174053.db2.gz SMHYTONOHGDLHU-INIZCTEOSA-N -1 3 371.357 0.647 20 5 FCBDHM O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001593483782 1286174549 /nfs/dbraw/zinc/17/45/49/1286174549.db2.gz INRQFVLQMFURJO-UHFFFAOYSA-N -1 3 361.343 0.648 20 5 FCBDHM O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001593483782 1286174552 /nfs/dbraw/zinc/17/45/52/1286174552.db2.gz INRQFVLQMFURJO-UHFFFAOYSA-N -1 3 361.343 0.648 20 5 FCBDHM O=[N+]([O-])c1cccnc1N1CCN(Cc2cncc(-c3nnn[n-]3)c2)CC1 ZINC001593486792 1286175472 /nfs/dbraw/zinc/17/54/72/1286175472.db2.gz MJKIDMUNFNVMAZ-UHFFFAOYSA-N -1 3 367.373 0.887 20 5 FCBDHM O=[N+]([O-])c1cccnc1N1CCN(Cc2cncc(-c3nn[n-]n3)c2)CC1 ZINC001593486792 1286175480 /nfs/dbraw/zinc/17/54/80/1286175480.db2.gz MJKIDMUNFNVMAZ-UHFFFAOYSA-N -1 3 367.373 0.887 20 5 FCBDHM O=[N+]([O-])c1cnn(CN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001593487387 1286176066 /nfs/dbraw/zinc/17/60/66/1286176066.db2.gz LEUSAGPWBYJXHW-UHFFFAOYSA-N -1 3 356.350 0.146 20 5 FCBDHM O=[N+]([O-])c1cnn(CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001593487387 1286176070 /nfs/dbraw/zinc/17/60/70/1286176070.db2.gz LEUSAGPWBYJXHW-UHFFFAOYSA-N -1 3 356.350 0.146 20 5 FCBDHM O=c1ccn(CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c(=O)[nH]1 ZINC001593497328 1286181801 /nfs/dbraw/zinc/18/18/01/1286181801.db2.gz GHJBJVFXUYVSHZ-UHFFFAOYSA-N -1 3 362.281 0.288 20 5 FCBDHM O=c1ccn(CCNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c(=O)[nH]1 ZINC001593497328 1286181805 /nfs/dbraw/zinc/18/18/05/1286181805.db2.gz GHJBJVFXUYVSHZ-UHFFFAOYSA-N -1 3 362.281 0.288 20 5 FCBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001600551755 1286507126 /nfs/dbraw/zinc/50/71/26/1286507126.db2.gz BFYUNMULWLRENW-LBPRGKRZSA-N -1 3 350.375 0.790 20 5 FCBDHM CC(=O)N1CCC[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001602929661 1287163141 /nfs/dbraw/zinc/16/31/41/1287163141.db2.gz WVCDXRICYUWEAI-LBPRGKRZSA-N -1 3 360.330 0.829 20 5 FCBDHM CC(=O)N1CCC[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001602929661 1287163145 /nfs/dbraw/zinc/16/31/45/1287163145.db2.gz WVCDXRICYUWEAI-LBPRGKRZSA-N -1 3 360.330 0.829 20 5 FCBDHM COC(=O)[C@@]1(C)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C[C@@H]1C ZINC001604959550 1287819488 /nfs/dbraw/zinc/81/94/88/1287819488.db2.gz DUFWMBPIEYRBAC-AYVTZFPOSA-N -1 3 361.362 0.993 20 5 FCBDHM COC(=O)[C@@]1(C)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C[C@@H]1C ZINC001604959550 1287819490 /nfs/dbraw/zinc/81/94/90/1287819490.db2.gz DUFWMBPIEYRBAC-AYVTZFPOSA-N -1 3 361.362 0.993 20 5 FCBDHM CS(=O)(=O)N1CCC(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001605357638 1287936566 /nfs/dbraw/zinc/93/65/66/1287936566.db2.gz SIIFCIDMNBMCQQ-UHFFFAOYSA-N -1 3 367.391 0.611 20 5 FCBDHM CS(=O)(=O)N1CCC(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001605357638 1287936569 /nfs/dbraw/zinc/93/65/69/1287936569.db2.gz SIIFCIDMNBMCQQ-UHFFFAOYSA-N -1 3 367.391 0.611 20 5 FCBDHM Cc1cnn(C)c1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609441928 1289152369 /nfs/dbraw/zinc/15/23/69/1289152369.db2.gz VTQDLNQATWZVTI-UHFFFAOYSA-N -1 3 365.331 0.585 20 5 FCBDHM Cc1cnn(C)c1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609441928 1289152370 /nfs/dbraw/zinc/15/23/70/1289152370.db2.gz VTQDLNQATWZVTI-UHFFFAOYSA-N -1 3 365.331 0.585 20 5 FCBDHM Cn1nccc1C1(O)CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001606282014 1288251496 /nfs/dbraw/zinc/25/14/96/1288251496.db2.gz ZYHYUWHDTSZELB-UHFFFAOYSA-N -1 3 360.309 0.355 20 5 FCBDHM Cn1nccc1C1(O)CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001606282014 1288251501 /nfs/dbraw/zinc/25/15/01/1288251501.db2.gz ZYHYUWHDTSZELB-UHFFFAOYSA-N -1 3 360.309 0.355 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)c1-c1nnn[n-]1 ZINC001606451258 1288324089 /nfs/dbraw/zinc/32/40/89/1288324089.db2.gz SLNUJNMNOTZECR-IUCAKERBSA-N -1 3 358.362 0.462 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)c1-c1nn[n-]n1 ZINC001606451258 1288324097 /nfs/dbraw/zinc/32/40/97/1288324097.db2.gz SLNUJNMNOTZECR-IUCAKERBSA-N -1 3 358.362 0.462 20 5 FCBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001606456753 1288327807 /nfs/dbraw/zinc/32/78/07/1288327807.db2.gz SNISDUOJDBXBOK-LLVKDONJSA-N -1 3 366.341 0.649 20 5 FCBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001606456753 1288327812 /nfs/dbraw/zinc/32/78/12/1288327812.db2.gz SNISDUOJDBXBOK-LLVKDONJSA-N -1 3 366.341 0.649 20 5 FCBDHM O=C(C1CC1)N1CCN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001606467541 1288331279 /nfs/dbraw/zinc/33/12/79/1288331279.db2.gz SZLXMQZHGRIGKL-UHFFFAOYSA-N -1 3 357.374 0.829 20 5 FCBDHM O=C(C1CC1)N1CCN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001606467541 1288331283 /nfs/dbraw/zinc/33/12/83/1288331283.db2.gz SZLXMQZHGRIGKL-UHFFFAOYSA-N -1 3 357.374 0.829 20 5 FCBDHM O=C(Cc1c[nH]cn1)NCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001606609342 1288405274 /nfs/dbraw/zinc/40/52/74/1288405274.db2.gz MVPLHLDDHPHGOE-UHFFFAOYSA-N -1 3 357.334 0.269 20 5 FCBDHM O=C(NC1CC1)C1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001606648726 1288423335 /nfs/dbraw/zinc/42/33/35/1288423335.db2.gz RRGBVIKBNZUVKP-UHFFFAOYSA-N -1 3 372.341 0.877 20 5 FCBDHM O=C(NC1CC1)C1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001606648726 1288423340 /nfs/dbraw/zinc/42/33/40/1288423340.db2.gz RRGBVIKBNZUVKP-UHFFFAOYSA-N -1 3 372.341 0.877 20 5 FCBDHM O=C(NC1CC1)N[C@@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001606653871 1288425986 /nfs/dbraw/zinc/42/59/86/1288425986.db2.gz UJQPHQGNZHADGV-SNVBAGLBSA-N -1 3 358.362 0.815 20 5 FCBDHM O=C(NC1CC1)N[C@@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001606653871 1288425989 /nfs/dbraw/zinc/42/59/89/1288425989.db2.gz UJQPHQGNZHADGV-SNVBAGLBSA-N -1 3 358.362 0.815 20 5 FCBDHM O=C(NC1CN(Cc2ccccc2[N+](=O)[O-])C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001606689446 1288443312 /nfs/dbraw/zinc/44/33/12/1288443312.db2.gz UPFRNKNXTVVUNM-UHFFFAOYSA-N -1 3 368.357 0.717 20 5 FCBDHM O=C(NC1CN(Cc2ccccc2[N+](=O)[O-])C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001606689446 1288443319 /nfs/dbraw/zinc/44/33/19/1288443319.db2.gz UPFRNKNXTVVUNM-UHFFFAOYSA-N -1 3 368.357 0.717 20 5 FCBDHM O=C(NCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccon1 ZINC001606770036 1288504431 /nfs/dbraw/zinc/50/44/31/1288504431.db2.gz SAICYPZIVWXIAZ-UHFFFAOYSA-N -1 3 358.318 0.995 20 5 FCBDHM O=C(NCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccon1 ZINC001606770036 1288504436 /nfs/dbraw/zinc/50/44/36/1288504436.db2.gz SAICYPZIVWXIAZ-UHFFFAOYSA-N -1 3 358.318 0.995 20 5 FCBDHM O=C(NCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccn[nH]1 ZINC001606770735 1288505528 /nfs/dbraw/zinc/50/55/28/1288505528.db2.gz XGKYVFFDHZGLSM-UHFFFAOYSA-N -1 3 357.334 0.730 20 5 FCBDHM O=C(NCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccn[nH]1 ZINC001606770735 1288505529 /nfs/dbraw/zinc/50/55/29/1288505529.db2.gz XGKYVFFDHZGLSM-UHFFFAOYSA-N -1 3 357.334 0.730 20 5 FCBDHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001607012449 1288589563 /nfs/dbraw/zinc/58/95/63/1288589563.db2.gz AVBDDRFNSYCKCS-UHFFFAOYSA-N -1 3 369.345 0.460 20 5 FCBDHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001607012449 1288589569 /nfs/dbraw/zinc/58/95/69/1288589569.db2.gz AVBDDRFNSYCKCS-UHFFFAOYSA-N -1 3 369.345 0.460 20 5 FCBDHM O=[N+]([O-])c1cc(N2CCN(c3ncns3)CC2)ccc1-c1nnn[n-]1 ZINC001607078997 1288650878 /nfs/dbraw/zinc/65/08/78/1288650878.db2.gz UBUTXMXUERUCMI-UHFFFAOYSA-N -1 3 359.375 0.953 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCN(c2cnccn2)CC1 ZINC001607083400 1288652141 /nfs/dbraw/zinc/65/21/41/1288652141.db2.gz DXXQXEYMXVTFAG-UHFFFAOYSA-N -1 3 367.373 0.887 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CCN(c2cnccn2)CC1 ZINC001607083400 1288652146 /nfs/dbraw/zinc/65/21/46/1288652146.db2.gz DXXQXEYMXVTFAG-UHFFFAOYSA-N -1 3 367.373 0.887 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@@H]1COC2(CCOCC2)O1 ZINC001607081049 1288652683 /nfs/dbraw/zinc/65/26/83/1288652683.db2.gz YZLSVGATIWMENS-SNVBAGLBSA-N -1 3 363.334 0.504 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@@H]1COC2(CCOCC2)O1 ZINC001607081049 1288652689 /nfs/dbraw/zinc/65/26/89/1288652689.db2.gz YZLSVGATIWMENS-SNVBAGLBSA-N -1 3 363.334 0.504 20 5 FCBDHM O=[N+]([O-])c1cnccc1Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1 ZINC001607086551 1288653850 /nfs/dbraw/zinc/65/38/50/1288653850.db2.gz ZOAHHCSOFVYIKC-UHFFFAOYSA-N -1 3 350.302 0.916 20 5 FCBDHM O=[N+]([O-])c1cnccc1Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1 ZINC001607086551 1288653857 /nfs/dbraw/zinc/65/38/57/1288653857.db2.gz ZOAHHCSOFVYIKC-UHFFFAOYSA-N -1 3 350.302 0.916 20 5 FCBDHM O=c1c(Br)cn(-c2cc(-c3nnn[n-]3)cnn2)cc1[N+](=O)[O-] ZINC001607089661 1288656942 /nfs/dbraw/zinc/65/69/42/1288656942.db2.gz GMMSFDLJFXFNFG-UHFFFAOYSA-N -1 3 365.107 0.478 20 5 FCBDHM O=c1c(Br)cn(-c2cc(-c3nn[n-]n3)cnn2)cc1[N+](=O)[O-] ZINC001607089661 1288656946 /nfs/dbraw/zinc/65/69/46/1288656946.db2.gz GMMSFDLJFXFNFG-UHFFFAOYSA-N -1 3 365.107 0.478 20 5 FCBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCNC[C@@H]1C(=O)[O-] ZINC001607291812 1288696346 /nfs/dbraw/zinc/69/63/46/1288696346.db2.gz UAIJYXGJPKXZQS-SNVBAGLBSA-N -1 3 359.360 0.041 20 5 FCBDHM C[C@@H](O)c1cn(C2CN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])C2)nn1 ZINC001609130865 1288937605 /nfs/dbraw/zinc/93/76/05/1288937605.db2.gz YCGCIFDNJQEXJN-MRVPVSSYSA-N -1 3 357.334 0.481 20 5 FCBDHM C[C@@H](O)c1cn(C2CN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])C2)nn1 ZINC001609130865 1288937611 /nfs/dbraw/zinc/93/76/11/1288937611.db2.gz YCGCIFDNJQEXJN-MRVPVSSYSA-N -1 3 357.334 0.481 20 5 FCBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@H](CN2CCOCC2)C1 ZINC001609599704 1289257411 /nfs/dbraw/zinc/25/74/11/1289257411.db2.gz WDRMRXXMVZJKAA-GFCCVEGCSA-N -1 3 359.390 0.933 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCN(c2cnccn2)CC1 ZINC001609602684 1289257814 /nfs/dbraw/zinc/25/78/14/1289257814.db2.gz DBOLDUMRRZNTNN-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCN(c2cnccn2)CC1 ZINC001609602684 1289257817 /nfs/dbraw/zinc/25/78/17/1289257817.db2.gz 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ZINC000501157427 490584928 /nfs/dbraw/zinc/58/49/28/490584928.db2.gz JZVIIQSGKASVII-JTQLQIEISA-N -1 3 371.371 0.037 20 5 FCBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000525801158 490634921 /nfs/dbraw/zinc/63/49/21/490634921.db2.gz VAPJUHRJHGBSCU-NSHDSACASA-N -1 3 362.342 0.537 20 5 FCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CO)[C@@H]1CCCOC1 ZINC000572060745 491346428 /nfs/dbraw/zinc/34/64/28/491346428.db2.gz ZJSJXZGOESXHLM-PWSUYJOCSA-N -1 3 360.388 0.669 20 5 FCBDHM CC[C@@H]1CN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000487351677 490707307 /nfs/dbraw/zinc/70/73/07/490707307.db2.gz IOLVEXGJOMKVIM-CYBMUJFWSA-N -1 3 373.431 0.993 20 5 FCBDHM Cc1cnc(CNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000540532342 490827238 /nfs/dbraw/zinc/82/72/38/490827238.db2.gz UUGYEHPHAOEYHV-UHFFFAOYSA-N -1 3 370.412 0.954 20 5 FCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCS(=O)(=O)NC1CC1 ZINC000515708969 490836806 /nfs/dbraw/zinc/83/68/06/490836806.db2.gz DMWPJALXTOFUFH-UHFFFAOYSA-N -1 3 363.417 0.263 20 5 FCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC2CC2)c(F)c1 ZINC000515709390 490837057 /nfs/dbraw/zinc/83/70/57/490837057.db2.gz YNEYXZFWGNGCKT-UHFFFAOYSA-N -1 3 367.380 0.094 20 5 FCBDHM O=C(CN1CCCC1)N1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000506206821 490855675 /nfs/dbraw/zinc/85/56/75/490855675.db2.gz NSDCYWXUKWRBLX-UHFFFAOYSA-N -1 3 362.386 0.681 20 5 FCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)CC[N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000541829974 490873899 /nfs/dbraw/zinc/87/38/99/490873899.db2.gz MWYGPDOJPGHGPL-UHFFFAOYSA-N -1 3 360.373 0.070 20 5 FCBDHM C[C@]1(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOC1 ZINC000543480884 490933994 /nfs/dbraw/zinc/93/39/94/490933994.db2.gz PRIGJSVANLMXDJ-AWEZNQCLSA-N -1 3 357.388 0.416 20 5 FCBDHM COC1(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000572935249 491402783 /nfs/dbraw/zinc/40/27/83/491402783.db2.gz ICOUVXYYQUKAGH-UHFFFAOYSA-N -1 3 371.415 0.949 20 5 FCBDHM CC(F)(F)CNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000560411558 491538542 /nfs/dbraw/zinc/53/85/42/491538542.db2.gz PJEMKODGKBDXKO-UHFFFAOYSA-N -1 3 366.346 0.828 20 5 FCBDHM Cn1[n-]c([C@H]2CCCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)nc1=N ZINC000568446066 491577819 /nfs/dbraw/zinc/57/78/19/491577819.db2.gz DNICNMXFTOXVNB-GFCCVEGCSA-N -1 3 373.373 0.229 20 5 FCBDHM CC[C@H]1CN(C)CCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000561614768 491620735 /nfs/dbraw/zinc/62/07/35/491620735.db2.gz IPKRZJHMFVHMED-LBPRGKRZSA-N -1 3 370.431 0.426 20 5 FCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1c[nH]nc1C ZINC000580057413 491715388 /nfs/dbraw/zinc/71/53/88/491715388.db2.gz JSIIFYMFYVFQQE-UHFFFAOYSA-N -1 3 354.344 0.891 20 5 FCBDHM C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000588860752 491750492 /nfs/dbraw/zinc/75/04/92/491750492.db2.gz AESOVBDIIJIGIO-VHSXEESVSA-N -1 3 362.346 0.671 20 5 FCBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000588876117 491750706 /nfs/dbraw/zinc/75/07/06/491750706.db2.gz TZBALVQDDFIPDO-JTQLQIEISA-N -1 3 361.358 0.485 20 5 FCBDHM CC(C)(C(=O)[O-])N1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000600876157 491887649 /nfs/dbraw/zinc/88/76/49/491887649.db2.gz SQDSCPQFUNJILE-UHFFFAOYSA-N -1 3 351.359 0.981 20 5 FCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C(N)=O)CCC1 ZINC000612130406 491899635 /nfs/dbraw/zinc/89/96/35/491899635.db2.gz GHGWKHZTROEFRP-UHFFFAOYSA-N -1 3 357.344 0.068 20 5 FCBDHM O=c1[n-]ccc(N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1[N+](=O)[O-] ZINC000596235486 491980665 /nfs/dbraw/zinc/98/06/65/491980665.db2.gz JSUMIOWPHZMTJS-SNVBAGLBSA-N -1 3 356.404 0.994 20 5 FCBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCn2cncn2)cc1[N+](=O)[O-] ZINC000614537650 492037983 /nfs/dbraw/zinc/03/79/83/492037983.db2.gz RWNMQWJGWWWVNX-UHFFFAOYSA-N -1 3 359.339 0.703 20 5 FCBDHM C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000597652136 492056962 /nfs/dbraw/zinc/05/69/62/492056962.db2.gz IGMATZIYMKBKOY-DTWKUNHWSA-N -1 3 362.346 0.822 20 5 FCBDHM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599462228 492176549 /nfs/dbraw/zinc/17/65/49/492176549.db2.gz MRISDHTZCBKMIT-MRVPVSSYSA-N -1 3 352.752 0.451 20 5 FCBDHM CCn1cnnc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000609850953 492224831 /nfs/dbraw/zinc/22/48/31/492224831.db2.gz PKXYLSLXJZODRD-UHFFFAOYSA-N -1 3 355.376 0.736 20 5 FCBDHM COC(=O)Cc1n[n-]c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000609855667 492225149 /nfs/dbraw/zinc/22/51/49/492225149.db2.gz YYSVDFRFEIFNSJ-UHFFFAOYSA-N -1 3 371.313 0.866 20 5 FCBDHM COC(=O)Cc1nnc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[n-]1 ZINC000609855667 492225151 /nfs/dbraw/zinc/22/51/51/492225151.db2.gz YYSVDFRFEIFNSJ-UHFFFAOYSA-N -1 3 371.313 0.866 20 5 FCBDHM COC(=O)Cc1nc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n[n-]1 ZINC000609855667 492225153 /nfs/dbraw/zinc/22/51/53/492225153.db2.gz YYSVDFRFEIFNSJ-UHFFFAOYSA-N -1 3 371.313 0.866 20 5 FCBDHM COC(=O)CCc1nnc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000609922052 492227416 /nfs/dbraw/zinc/22/74/16/492227416.db2.gz MWHZFWQGWSFHAN-UHFFFAOYSA-N -1 3 353.316 0.905 20 5 FCBDHM CN(CC1(C)COC1)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000600304692 492258222 /nfs/dbraw/zinc/25/82/22/492258222.db2.gz NWDNWBRBXLPRJQ-UHFFFAOYSA-N -1 3 357.388 0.368 20 5 FCBDHM COC(=O)c1cc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)no1 ZINC000593596047 546981341 /nfs/dbraw/zinc/98/13/41/546981341.db2.gz MMMOZZAMWCFGSK-UHFFFAOYSA-N -1 3 370.343 0.978 20 5 FCBDHM CCN1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000593641272 546985976 /nfs/dbraw/zinc/98/59/76/546985976.db2.gz LSEQFCOOKSZYRK-JTQLQIEISA-N -1 3 357.388 0.750 20 5 FCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1nnn(C(C)(C)C)n1 ZINC000594476219 547000090 /nfs/dbraw/zinc/00/00/90/547000090.db2.gz GYRXZPGMIISMSJ-UHFFFAOYSA-N -1 3 370.391 0.823 20 5 FCBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCc3c(nnn3C)C2)c([N+](=O)[O-])c1 ZINC000594479999 547000965 /nfs/dbraw/zinc/00/09/65/547000965.db2.gz YSKRXFZPEFPGNT-SECBINFHSA-N -1 3 367.387 0.568 20 5 FCBDHM COCCN(C)CC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594770931 547007663 /nfs/dbraw/zinc/00/76/63/547007663.db2.gz KKYFCFJWXVXRSC-UHFFFAOYSA-N -1 3 368.415 1.000 20 5 FCBDHM COCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000594826464 547014358 /nfs/dbraw/zinc/01/43/58/547014358.db2.gz ASIBDLCHTZHACH-UHFFFAOYSA-N -1 3 361.767 0.991 20 5 FCBDHM COCc1nc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n[nH]1 ZINC000594827872 547015398 /nfs/dbraw/zinc/01/53/98/547015398.db2.gz OTGGQXFCUBLCOK-UHFFFAOYSA-N -1 3 355.376 0.955 20 5 FCBDHM C[C@H](O)C[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000549808432 547017869 /nfs/dbraw/zinc/01/78/69/547017869.db2.gz ZGKSCTMSYCVUKS-RYUDHWBXSA-N -1 3 371.415 0.635 20 5 FCBDHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000552400607 547377518 /nfs/dbraw/zinc/37/75/18/547377518.db2.gz QQCGUEDVHYKABW-PELKAZGASA-N -1 3 369.403 1.374 20 5 FCBDHM CN(C[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736792842 598976181 /nfs/dbraw/zinc/97/61/81/598976181.db2.gz STKDFHHHXJXZNM-VIFPVBQESA-N -1 3 352.376 0.646 20 5 FCBDHM CN(C[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736792842 598976184 /nfs/dbraw/zinc/97/61/84/598976184.db2.gz STKDFHHHXJXZNM-VIFPVBQESA-N -1 3 352.376 0.646 20 5 FCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737987275 599219631 /nfs/dbraw/zinc/21/96/31/599219631.db2.gz SUHCANDKOARGED-UHFFFAOYSA-N -1 3 358.318 0.167 20 5 FCBDHM COc1ccc(CC(=O)Nc2ccncc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737088411 599250522 /nfs/dbraw/zinc/25/05/22/599250522.db2.gz QTLIGEWUTFTAJB-UHFFFAOYSA-N -1 3 355.314 0.782 20 5 FCBDHM COc1ccc(CC(=O)Nc2ccncc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737088411 599250524 /nfs/dbraw/zinc/25/05/24/599250524.db2.gz QTLIGEWUTFTAJB-UHFFFAOYSA-N -1 3 355.314 0.782 20 5 FCBDHM O=C(Nc1ccncc1-c1nnn[n-]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000738198612 599258605 /nfs/dbraw/zinc/25/86/05/599258605.db2.gz XUMKCBXZIFBBSY-UHFFFAOYSA-N -1 3 355.270 0.573 20 5 FCBDHM O=C(Nc1ccncc1-c1nn[n-]n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000738198612 599258609 /nfs/dbraw/zinc/25/86/09/599258609.db2.gz XUMKCBXZIFBBSY-UHFFFAOYSA-N -1 3 355.270 0.573 20 5 FCBDHM NS(=O)(=O)C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000737765590 598566639 /nfs/dbraw/zinc/56/66/39/598566639.db2.gz UXGWPUZBNQYGCM-UHFFFAOYSA-N -1 3 353.364 0.032 20 5 FCBDHM NS(=O)(=O)C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000737765590 598566640 /nfs/dbraw/zinc/56/66/40/598566640.db2.gz UXGWPUZBNQYGCM-UHFFFAOYSA-N -1 3 353.364 0.032 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](Cn3ccnn3)C2)c(-c2nnn[n-]2)c1 ZINC000826501072 607733949 /nfs/dbraw/zinc/73/39/49/607733949.db2.gz YDZKLVDWRAKRKL-SNVBAGLBSA-N -1 3 356.350 0.678 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](Cn3ccnn3)C2)c(-c2nn[n-]n2)c1 ZINC000826501072 607733950 /nfs/dbraw/zinc/73/39/50/607733950.db2.gz YDZKLVDWRAKRKL-SNVBAGLBSA-N -1 3 356.350 0.678 20 5 FCBDHM C[C@H]1CN(CCC(=O)[O-])CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000833628175 605194017 /nfs/dbraw/zinc/19/40/17/605194017.db2.gz CLLUFGIRQHJDQO-ZFWWWQNUSA-N -1 3 367.402 0.815 20 5 FCBDHM COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000833708233 605691926 /nfs/dbraw/zinc/69/19/26/605691926.db2.gz OPAFIRTVKNEXIZ-XBFCOCLRSA-N -1 3 352.343 0.966 20 5 FCBDHM Cn1cc(C[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)cn1 ZINC000822674475 606139750 /nfs/dbraw/zinc/13/97/50/606139750.db2.gz VFFDQEHILHKSSD-JTQLQIEISA-N -1 3 355.362 0.972 20 5 FCBDHM Cn1cc(C[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)cn1 ZINC000822674475 606139752 /nfs/dbraw/zinc/13/97/52/606139752.db2.gz VFFDQEHILHKSSD-JTQLQIEISA-N -1 3 355.362 0.972 20 5 FCBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCCn1cc([N+](=O)[O-])cn1 ZINC000823037351 606225513 /nfs/dbraw/zinc/22/55/13/606225513.db2.gz 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CCC(=O)NCCN1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001590366534 1283503285 /nfs/dbraw/zinc/50/32/85/1283503285.db2.gz VQSALOAKRRUJPP-UHFFFAOYSA-N -1 3 374.405 0.423 20 5 FCBDHM CCS(=O)(=O)C1CN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590847309 1283922770 /nfs/dbraw/zinc/92/27/70/1283922770.db2.gz DGAIFHGOPRPHJE-UHFFFAOYSA-N -1 3 352.376 0.394 20 5 FCBDHM CCS(=O)(=O)C1CN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590847309 1283922778 /nfs/dbraw/zinc/92/27/78/1283922778.db2.gz DGAIFHGOPRPHJE-UHFFFAOYSA-N -1 3 352.376 0.394 20 5 FCBDHM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnc(OC)c(-c3nnn[n-]3)c2)n1 ZINC001590955437 1284006185 /nfs/dbraw/zinc/00/61/85/1284006185.db2.gz FGHXIRRWOXEGMY-UHFFFAOYSA-N -1 3 359.306 0.647 20 5 FCBDHM CN(CCNC(=O)Cn1cccn1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591097719 1284168227 /nfs/dbraw/zinc/16/82/27/1284168227.db2.gz SOIKJLAXALYNKK-UHFFFAOYSA-N -1 3 371.361 0.224 20 5 FCBDHM CN(CCNC(=O)Cn1cccn1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591097719 1284168236 /nfs/dbraw/zinc/16/82/36/1284168236.db2.gz SOIKJLAXALYNKK-UHFFFAOYSA-N -1 3 371.361 0.224 20 5 FCBDHM CN(CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)c1cnon1 ZINC001591105934 1284179142 /nfs/dbraw/zinc/17/91/42/1284179142.db2.gz CGXIJOGMOQZNQK-UHFFFAOYSA-N -1 3 359.306 0.342 20 5 FCBDHM CN(CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)c1cnon1 ZINC001591105934 1284179146 /nfs/dbraw/zinc/17/91/46/1284179146.db2.gz CGXIJOGMOQZNQK-UHFFFAOYSA-N -1 3 359.306 0.342 20 5 FCBDHM CN(CCOCc1ccc(-c2nnn[n-]2)cc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC001591115490 1284192622 /nfs/dbraw/zinc/19/26/22/1284192622.db2.gz VSSAUQRJJVQGDH-UHFFFAOYSA-N -1 3 371.361 0.800 20 5 FCBDHM CN(CCOCc1ccc(-c2nn[n-]n2)cc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC001591115490 1284192629 /nfs/dbraw/zinc/19/26/29/1284192629.db2.gz VSSAUQRJJVQGDH-UHFFFAOYSA-N -1 3 371.361 0.800 20 5 FCBDHM CN1C(=O)NCC12CCN(c1c(-c3nnn[n-]3)cccc1[N+](=O)[O-])CC2 ZINC001591165848 1284247328 /nfs/dbraw/zinc/24/73/28/1284247328.db2.gz ZEAJQKUUTFTQSK-UHFFFAOYSA-N -1 3 358.362 0.769 20 5 FCBDHM CN1C(=O)NCC12CCN(c1c(-c3nn[n-]n3)cccc1[N+](=O)[O-])CC2 ZINC001591165848 1284247334 /nfs/dbraw/zinc/24/73/34/1284247334.db2.gz ZEAJQKUUTFTQSK-UHFFFAOYSA-N -1 3 358.362 0.769 20 5 FCBDHM CN1CCN(C)[C@@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591192215 1284311410 /nfs/dbraw/zinc/31/14/10/1284311410.db2.gz UEGMKIYWFBVWIE-VIFPVBQESA-N -1 3 350.358 0.572 20 5 FCBDHM COC(=O)c1cc(=O)n(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cn1 ZINC001591286138 1284443978 /nfs/dbraw/zinc/44/39/78/1284443978.db2.gz STJINLNJAGTPID-UHFFFAOYSA-N -1 3 357.286 0.167 20 5 FCBDHM COC(=O)c1cc(=O)n(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cn1 ZINC001591286138 1284443981 /nfs/dbraw/zinc/44/39/81/1284443981.db2.gz STJINLNJAGTPID-UHFFFAOYSA-N -1 3 357.286 0.167 20 5 FCBDHM COCC(C)(C)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001591370717 1284509134 /nfs/dbraw/zinc/50/91/34/1284509134.db2.gz RONLSZKUSCKJKU-UHFFFAOYSA-N -1 3 362.394 0.717 20 5 FCBDHM COCc1nnc2n1CCN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC001591461322 1284626500 /nfs/dbraw/zinc/62/65/00/1284626500.db2.gz GPZZSNPQGKOQMK-UHFFFAOYSA-N -1 3 357.334 0.533 20 5 FCBDHM COCc1nnc2n1CCN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC001591461322 1284626505 /nfs/dbraw/zinc/62/65/05/1284626505.db2.gz GPZZSNPQGKOQMK-UHFFFAOYSA-N -1 3 357.334 0.533 20 5 FCBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001591495578 1284674183 /nfs/dbraw/zinc/67/41/83/1284674183.db2.gz DLODVNHTHAIZJY-UHFFFAOYSA-N -1 3 359.302 0.894 20 5 FCBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001591495578 1284674190 /nfs/dbraw/zinc/67/41/90/1284674190.db2.gz DLODVNHTHAIZJY-UHFFFAOYSA-N -1 3 359.302 0.894 20 5 FCBDHM CS(=O)(=O)CC1(CCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591673693 1284806659 /nfs/dbraw/zinc/80/66/59/1284806659.db2.gz URDPCLVLSBKXEO-UHFFFAOYSA-N -1 3 367.391 0.797 20 5 FCBDHM CS(=O)(=O)CC1(CCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591673693 1284806665 /nfs/dbraw/zinc/80/66/65/1284806665.db2.gz URDPCLVLSBKXEO-UHFFFAOYSA-N -1 3 367.391 0.797 20 5 FCBDHM Cc1cc(NCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)ncc1[N+](=O)[O-] ZINC001592049118 1285093929 /nfs/dbraw/zinc/09/39/29/1285093929.db2.gz HJRJXPOVXTTYER-UHFFFAOYSA-N -1 3 357.334 0.648 20 5 FCBDHM Cc1cc(NCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)ncc1[N+](=O)[O-] ZINC001592049118 1285093942 /nfs/dbraw/zinc/09/39/42/1285093942.db2.gz HJRJXPOVXTTYER-UHFFFAOYSA-N -1 3 357.334 0.648 20 5 FCBDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ncc([N+](=O)[O-])cc1F ZINC001604759861 1287766381 /nfs/dbraw/zinc/76/63/81/1287766381.db2.gz UEYHYMIYAXQJCM-UHFFFAOYSA-N -1 3 362.329 0.683 20 5 FCBDHM Cc1nc(CN2CCN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])CC2)no1 ZINC001592361342 1285274891 /nfs/dbraw/zinc/27/48/91/1285274891.db2.gz KXCMTECOWGSCJN-UHFFFAOYSA-N -1 3 371.361 0.789 20 5 FCBDHM Cc1nc(CN2CCN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])CC2)no1 ZINC001592361342 1285274897 /nfs/dbraw/zinc/27/48/97/1285274897.db2.gz KXCMTECOWGSCJN-UHFFFAOYSA-N -1 3 371.361 0.789 20 5 FCBDHM Cc1nn(C)c(N2CC[C@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)c1[N+](=O)[O-] ZINC001592430846 1285362033 /nfs/dbraw/zinc/36/20/33/1285362033.db2.gz GWXHKRDHOBROAR-NSHDSACASA-N -1 3 371.361 0.870 20 5 FCBDHM Cc1nn(C)c(N2CC[C@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)c1[N+](=O)[O-] ZINC001592430846 1285362041 /nfs/dbraw/zinc/36/20/41/1285362041.db2.gz GWXHKRDHOBROAR-NSHDSACASA-N -1 3 371.361 0.870 20 5 FCBDHM Cc1nn(CN2CC[C@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)cc1[N+](=O)[O-] ZINC001592437015 1285367849 /nfs/dbraw/zinc/36/78/49/1285367849.db2.gz GYRANERPIUIPFL-LBPRGKRZSA-N -1 3 371.361 0.786 20 5 FCBDHM Cc1nn(CN2CC[C@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)cc1[N+](=O)[O-] ZINC001592437015 1285367862 /nfs/dbraw/zinc/36/78/62/1285367862.db2.gz GYRANERPIUIPFL-LBPRGKRZSA-N -1 3 371.361 0.786 20 5 FCBDHM Cn1cc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001592577790 1285495480 /nfs/dbraw/zinc/49/54/80/1285495480.db2.gz SMGDOXBSOQUFQL-UHFFFAOYSA-N -1 3 351.304 0.276 20 5 FCBDHM Cn1cc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001592577790 1285495486 /nfs/dbraw/zinc/49/54/86/1285495486.db2.gz SMGDOXBSOQUFQL-UHFFFAOYSA-N -1 3 351.304 0.276 20 5 FCBDHM Cn1cnc(C(=O)NCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001592586818 1285514362 /nfs/dbraw/zinc/51/43/62/1285514362.db2.gz PPWVIIFETOFCNR-UHFFFAOYSA-N -1 3 357.334 0.350 20 5 FCBDHM Cn1cnc(C(=O)NCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001592586818 1285514368 /nfs/dbraw/zinc/51/43/68/1285514368.db2.gz PPWVIIFETOFCNR-UHFFFAOYSA-N -1 3 357.334 0.350 20 5 FCBDHM Cn1ncc([N+](=O)[O-])c1N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001592601987 1285536998 /nfs/dbraw/zinc/53/69/98/1285536998.db2.gz HDSZAVPOVAIVIT-NSHDSACASA-N -1 3 370.377 0.984 20 5 FCBDHM Cn1ncc([N+](=O)[O-])c1N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001592601987 1285537005 /nfs/dbraw/zinc/53/70/05/1285537005.db2.gz HDSZAVPOVAIVIT-NSHDSACASA-N -1 3 370.377 0.984 20 5 FCBDHM Cn1ncc([N+](=O)[O-])c1N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592601944 1285537211 /nfs/dbraw/zinc/53/72/11/1285537211.db2.gz DQAJAFHMLZERQM-UHFFFAOYSA-N -1 3 369.389 0.831 20 5 FCBDHM NS(=O)(=O)C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001592746830 1285666295 /nfs/dbraw/zinc/66/62/95/1285666295.db2.gz KBANCSCYSBBWSV-VIFPVBQESA-N -1 3 367.391 0.280 20 5 FCBDHM Nc1ccn(Cc2cn3ccccc3c2-c2nnn[n-]2)c(=O)c1[N+](=O)[O-] ZINC001592760758 1285680890 /nfs/dbraw/zinc/68/08/90/1285680890.db2.gz RVMAFHZYLMTERN-UHFFFAOYSA-N -1 3 352.314 0.820 20 5 FCBDHM Nc1ccn(Cc2cn3ccccc3c2-c2nn[n-]n2)c(=O)c1[N+](=O)[O-] ZINC001592760758 1285680896 /nfs/dbraw/zinc/68/08/96/1285680896.db2.gz RVMAFHZYLMTERN-UHFFFAOYSA-N -1 3 352.314 0.820 20 5 FCBDHM Nc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nc1[N+](=O)[O-] ZINC001592759715 1285681731 /nfs/dbraw/zinc/68/17/31/1285681731.db2.gz UAXQZQDCBASZCE-UHFFFAOYSA-N -1 3 368.361 0.474 20 5 FCBDHM Nc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nc1[N+](=O)[O-] ZINC001592759715 1285681736 /nfs/dbraw/zinc/68/17/36/1285681736.db2.gz UAXQZQDCBASZCE-UHFFFAOYSA-N -1 3 368.361 0.474 20 5 FCBDHM Nc1ncc(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)cc1[N+](=O)[O-] ZINC001592762909 1285684417 /nfs/dbraw/zinc/68/44/17/1285684417.db2.gz RENGICQKACYKNI-UHFFFAOYSA-N -1 3 358.293 0.821 20 5 FCBDHM Nc1ncc(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)cc1[N+](=O)[O-] ZINC001592762909 1285684421 /nfs/dbraw/zinc/68/44/21/1285684421.db2.gz RENGICQKACYKNI-UHFFFAOYSA-N -1 3 358.293 0.821 20 5 FCBDHM O=C([C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1)N1CCCC1 ZINC001592783732 1285706028 /nfs/dbraw/zinc/70/60/28/1285706028.db2.gz ANQGLOOATIBMDN-JTQLQIEISA-N -1 3 358.362 0.619 20 5 FCBDHM O=C([C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1)N1CCCC1 ZINC001592783732 1285706037 /nfs/dbraw/zinc/70/60/37/1285706037.db2.gz ANQGLOOATIBMDN-JTQLQIEISA-N -1 3 358.362 0.619 20 5 FCBDHM O=C(Cc1ncc[nH]1)NCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592933489 1285820642 /nfs/dbraw/zinc/82/06/42/1285820642.db2.gz BUBLMRWIOKDVJI-UHFFFAOYSA-N -1 3 357.334 0.269 20 5 FCBDHM O=C(Cc1ncc[nH]1)NCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592933489 1285820646 /nfs/dbraw/zinc/82/06/46/1285820646.db2.gz BUBLMRWIOKDVJI-UHFFFAOYSA-N -1 3 357.334 0.269 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001592937894 1285828714 /nfs/dbraw/zinc/82/87/14/1285828714.db2.gz UYTFIFKPRFABHB-UHFFFAOYSA-N -1 3 369.341 0.296 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001592937894 1285828724 /nfs/dbraw/zinc/82/87/24/1285828724.db2.gz UYTFIFKPRFABHB-UHFFFAOYSA-N -1 3 369.341 0.296 20 5 FCBDHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001593332600 1286080590 /nfs/dbraw/zinc/08/05/90/1286080590.db2.gz WKFASJOJDCIHPW-UHFFFAOYSA-N -1 3 357.334 0.777 20 5 FCBDHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001593332600 1286080592 /nfs/dbraw/zinc/08/05/92/1286080592.db2.gz WKFASJOJDCIHPW-UHFFFAOYSA-N -1 3 357.334 0.777 20 5 FCBDHM O=C(C[C@@H]1CCCC(=O)N1)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001593393999 1286113643 /nfs/dbraw/zinc/11/36/43/1286113643.db2.gz QFVKBRXBSCNPHQ-VIFPVBQESA-N -1 3 360.330 0.877 20 5 FCBDHM O=C(C[C@@H]1CCCC(=O)N1)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001593393999 1286113649 /nfs/dbraw/zinc/11/36/49/1286113649.db2.gz QFVKBRXBSCNPHQ-VIFPVBQESA-N -1 3 360.330 0.877 20 5 FCBDHM O=C1NCCN1[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001593406888 1286130182 /nfs/dbraw/zinc/13/01/82/1286130182.db2.gz CGUKTCWSNRAGJW-LLVKDONJSA-N -1 3 358.362 0.769 20 5 FCBDHM O=C1NCCN1[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001593406888 1286130186 /nfs/dbraw/zinc/13/01/86/1286130186.db2.gz CGUKTCWSNRAGJW-LLVKDONJSA-N -1 3 358.362 0.769 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCOCC2(CCOCC2)C1 ZINC001593469668 1286171792 /nfs/dbraw/zinc/17/17/92/1286171792.db2.gz ALYQFFSJRLTADW-UHFFFAOYSA-N -1 3 361.362 0.803 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCOCC2(CCOCC2)C1 ZINC001593469668 1286171793 /nfs/dbraw/zinc/17/17/93/1286171793.db2.gz ALYQFFSJRLTADW-UHFFFAOYSA-N -1 3 361.362 0.803 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCc1nnc2n1CCOC2 ZINC001593467913 1286171874 /nfs/dbraw/zinc/17/18/74/1286171874.db2.gz GIVNJRLLVQFCKS-UHFFFAOYSA-N -1 3 361.297 0.648 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCc1nnc2n1CCOC2 ZINC001593467913 1286171879 /nfs/dbraw/zinc/17/18/79/1286171879.db2.gz GIVNJRLLVQFCKS-UHFFFAOYSA-N -1 3 361.297 0.648 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(N[C@H]2C[C@H](O)C2)cc1N[C@H]1C[C@H](O)C1 ZINC001593467178 1286172585 /nfs/dbraw/zinc/17/25/85/1286172585.db2.gz MINWKXNSARSHAD-DFLMOOGLSA-N -1 3 361.362 0.645 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(N[C@H]2C[C@H](O)C2)cc1N[C@H]1C[C@H](O)C1 ZINC001593467178 1286172587 /nfs/dbraw/zinc/17/25/87/1286172587.db2.gz MINWKXNSARSHAD-DFLMOOGLSA-N -1 3 361.362 0.645 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N3C[C@H]4[C@H](CO)[C@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC001593480512 1286173913 /nfs/dbraw/zinc/17/39/13/1286173913.db2.gz OJYIBOXEJUSSHK-ITGUQSILSA-N -1 3 353.342 0.998 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N3C[C@H]4[C@H](CO)[C@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC001593480512 1286173917 /nfs/dbraw/zinc/17/39/17/1286173917.db2.gz OJYIBOXEJUSSHK-ITGUQSILSA-N -1 3 353.342 0.998 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCN1CCC2(C1)OCCO2 ZINC001593482490 1286174716 /nfs/dbraw/zinc/17/47/16/1286174716.db2.gz BWQAAELLMNINON-UHFFFAOYSA-N -1 3 361.362 0.636 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCN1CCC2(C1)OCCO2 ZINC001593482490 1286174719 /nfs/dbraw/zinc/17/47/19/1286174719.db2.gz BWQAAELLMNINON-UHFFFAOYSA-N -1 3 361.362 0.636 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CC[C@@](CO)(C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC001593486167 1286174915 /nfs/dbraw/zinc/17/49/15/1286174915.db2.gz LPJKNHPLCJZFHN-LLVKDONJSA-N -1 3 359.268 0.921 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CC[C@@](CO)(C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC001593486167 1286174918 /nfs/dbraw/zinc/17/49/18/1286174918.db2.gz LPJKNHPLCJZFHN-LLVKDONJSA-N -1 3 359.268 0.921 20 5 FCBDHM O=[N+]([O-])c1ccnn1CN1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001593486779 1286176289 /nfs/dbraw/zinc/17/62/89/1286176289.db2.gz LURHZKWRKYHCGE-UHFFFAOYSA-N -1 3 373.352 0.890 20 5 FCBDHM O=[N+]([O-])c1ccnn1CN1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001593486779 1286176294 /nfs/dbraw/zinc/17/62/94/1286176294.db2.gz LURHZKWRKYHCGE-UHFFFAOYSA-N -1 3 373.352 0.890 20 5 FCBDHM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001593486873 1286176650 /nfs/dbraw/zinc/17/66/50/1286176650.db2.gz AACAFODPRFWUDV-JTQLQIEISA-N -1 3 365.419 0.995 20 5 FCBDHM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001593486873 1286176653 /nfs/dbraw/zinc/17/66/53/1286176653.db2.gz AACAFODPRFWUDV-JTQLQIEISA-N -1 3 365.419 0.995 20 5 FCBDHM COC(=O)[C@H]1[C@@H](O)CCCN1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609295671 1289064142 /nfs/dbraw/zinc/06/41/42/1289064142.db2.gz KQKRBDUKMADHSI-QWHCGFSZSA-N -1 3 362.346 0.273 20 5 FCBDHM COC(=O)[C@H]1[C@@H](O)CCCN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609295671 1289064149 /nfs/dbraw/zinc/06/41/49/1289064149.db2.gz KQKRBDUKMADHSI-QWHCGFSZSA-N -1 3 362.346 0.273 20 5 FCBDHM COC(=O)NCCCC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609300843 1289072601 /nfs/dbraw/zinc/07/26/01/1289072601.db2.gz NRTUKZFWYZKRKA-UHFFFAOYSA-N -1 3 364.318 0.954 20 5 FCBDHM COC(=O)NCCCC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609300843 1289072607 /nfs/dbraw/zinc/07/26/07/1289072607.db2.gz NRTUKZFWYZKRKA-UHFFFAOYSA-N -1 3 364.318 0.954 20 5 FCBDHM COc1cc(OC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1-c1nnn[n-]1 ZINC001609347005 1289113420 /nfs/dbraw/zinc/11/34/20/1289113420.db2.gz ANBKHLUQMBMYAE-UHFFFAOYSA-N -1 3 372.297 0.551 20 5 FCBDHM COc1cc(OC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1-c1nn[n-]n1 ZINC001609347005 1289113421 /nfs/dbraw/zinc/11/34/21/1289113421.db2.gz ANBKHLUQMBMYAE-UHFFFAOYSA-N -1 3 372.297 0.551 20 5 FCBDHM CS(=O)(=O)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001605353044 1287933064 /nfs/dbraw/zinc/93/30/64/1287933064.db2.gz PEDLNYPAWBZMFB-SNVBAGLBSA-N -1 3 367.391 0.573 20 5 FCBDHM CS(=O)(=O)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001605353044 1287933069 /nfs/dbraw/zinc/93/30/69/1287933069.db2.gz PEDLNYPAWBZMFB-SNVBAGLBSA-N -1 3 367.391 0.573 20 5 FCBDHM CS(=O)(=O)[C@@H]1CCN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001605352770 1287934035 /nfs/dbraw/zinc/93/40/35/1287934035.db2.gz LBRPCZWEILNQTE-SECBINFHSA-N -1 3 352.376 0.394 20 5 FCBDHM CS(=O)(=O)[C@@H]1CCN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001605352770 1287934040 /nfs/dbraw/zinc/93/40/40/1287934040.db2.gz LBRPCZWEILNQTE-SECBINFHSA-N -1 3 352.376 0.394 20 5 FCBDHM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001605352834 1287934325 /nfs/dbraw/zinc/93/43/25/1287934325.db2.gz WRNBUARHTMYMTE-VHSXEESVSA-N -1 3 367.391 0.938 20 5 FCBDHM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001605352834 1287934328 /nfs/dbraw/zinc/93/43/28/1287934328.db2.gz WRNBUARHTMYMTE-VHSXEESVSA-N -1 3 367.391 0.938 20 5 FCBDHM CS(=O)(=O)N1CCC[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605357703 1287936923 /nfs/dbraw/zinc/93/69/23/1287936923.db2.gz UWXSMLRTSIZRIJ-SECBINFHSA-N -1 3 367.391 0.611 20 5 FCBDHM CS(=O)(=O)N1CCC[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605357703 1287936925 /nfs/dbraw/zinc/93/69/25/1287936925.db2.gz UWXSMLRTSIZRIJ-SECBINFHSA-N -1 3 367.391 0.611 20 5 FCBDHM C[C@@H]1[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCS1(=O)=O ZINC001605431685 1287960730 /nfs/dbraw/zinc/96/07/30/1287960730.db2.gz AIIJAPZQPOPJLG-HZGVNTEJSA-N -1 3 356.339 0.902 20 5 FCBDHM C[C@@H]1[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCS1(=O)=O ZINC001605431685 1287960734 /nfs/dbraw/zinc/96/07/34/1287960734.db2.gz AIIJAPZQPOPJLG-HZGVNTEJSA-N -1 3 356.339 0.902 20 5 FCBDHM Cc1cc(C(=O)NCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])ncn1 ZINC001605613649 1288034851 /nfs/dbraw/zinc/03/48/51/1288034851.db2.gz DYGWBWXGOOXBSE-UHFFFAOYSA-N -1 3 369.345 0.715 20 5 FCBDHM Cc1cc(C(=O)NCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])ncn1 ZINC001605613649 1288034855 /nfs/dbraw/zinc/03/48/55/1288034855.db2.gz DYGWBWXGOOXBSE-UHFFFAOYSA-N -1 3 369.345 0.715 20 5 FCBDHM Cc1nc(CN2CCN(c3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])CC2)no1 ZINC001606042287 1288145161 /nfs/dbraw/zinc/14/51/61/1288145161.db2.gz RGPKZVSRSWFVHR-UHFFFAOYSA-N -1 3 371.361 0.789 20 5 FCBDHM Cc1nc(CN2CCN(c3c(-c4nn[n-]n4)cccc3[N+](=O)[O-])CC2)no1 ZINC001606042287 1288145165 /nfs/dbraw/zinc/14/51/65/1288145165.db2.gz RGPKZVSRSWFVHR-UHFFFAOYSA-N -1 3 371.361 0.789 20 5 FCBDHM Cc1nocc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001606137872 1288181307 /nfs/dbraw/zinc/18/13/07/1288181307.db2.gz UFBGHGGINWPFBP-UHFFFAOYSA-N -1 3 365.331 0.550 20 5 FCBDHM Cn1nccc1C1(O)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001606281690 1288250545 /nfs/dbraw/zinc/25/05/45/1288250545.db2.gz WWRHAPRUZMOEQH-UHFFFAOYSA-N -1 3 370.373 0.996 20 5 FCBDHM Cn1nccc1C1(O)CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001606281690 1288250549 /nfs/dbraw/zinc/25/05/49/1288250549.db2.gz WWRHAPRUZMOEQH-UHFFFAOYSA-N -1 3 370.373 0.996 20 5 FCBDHM NC(=O)c1ccnc(N2CCc3ccc(-c4nnn[n-]4)cc32)c1[N+](=O)[O-] ZINC001606435341 1288315414 /nfs/dbraw/zinc/31/54/14/1288315414.db2.gz NUGVRROFQGCCLV-UHFFFAOYSA-N -1 3 352.314 0.963 20 5 FCBDHM NC(=O)c1ccnc(N2CCc3ccc(-c4nn[n-]n4)cc32)c1[N+](=O)[O-] ZINC001606435341 1288315418 /nfs/dbraw/zinc/31/54/18/1288315418.db2.gz NUGVRROFQGCCLV-UHFFFAOYSA-N -1 3 352.314 0.963 20 5 FCBDHM O=C(C[C@H]1CCNC1=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001606503570 1288346680 /nfs/dbraw/zinc/34/66/80/1288346680.db2.gz IHIARPKQZCAGOG-ZCFIWIBFSA-N -1 3 365.737 0.893 20 5 FCBDHM O=C(C[C@H]1CCNC1=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001606503570 1288346684 /nfs/dbraw/zinc/34/66/84/1288346684.db2.gz IHIARPKQZCAGOG-ZCFIWIBFSA-N -1 3 365.737 0.893 20 5 FCBDHM O=C(CCn1cc([N+](=O)[O-])cn1)OCCOc1ccccc1-c1nnn[n-]1 ZINC001606540243 1288373108 /nfs/dbraw/zinc/37/31/08/1288373108.db2.gz LBUUWHRMXWMWLH-UHFFFAOYSA-N -1 3 373.329 0.984 20 5 FCBDHM O=C(CCn1cc([N+](=O)[O-])cn1)OCCOc1ccccc1-c1nn[n-]n1 ZINC001606540243 1288373112 /nfs/dbraw/zinc/37/31/12/1288373112.db2.gz LBUUWHRMXWMWLH-UHFFFAOYSA-N -1 3 373.329 0.984 20 5 FCBDHM O=C(NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001606688958 1288444379 /nfs/dbraw/zinc/44/43/79/1288444379.db2.gz OJFWMCTUAYGAPY-UHFFFAOYSA-N -1 3 368.357 0.717 20 5 FCBDHM O=C(NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001606688958 1288444388 /nfs/dbraw/zinc/44/43/88/1288444388.db2.gz OJFWMCTUAYGAPY-UHFFFAOYSA-N -1 3 368.357 0.717 20 5 FCBDHM O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001606998276 1288583996 /nfs/dbraw/zinc/58/39/96/1288583996.db2.gz BONKURHYZDYYBV-SECBINFHSA-N -1 3 371.317 0.187 20 5 FCBDHM O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001606998276 1288583998 /nfs/dbraw/zinc/58/39/98/1288583998.db2.gz BONKURHYZDYYBV-SECBINFHSA-N -1 3 371.317 0.187 20 5 FCBDHM O=C1OC[C@]2(CNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)COCCN12 ZINC001607054213 1288624683 /nfs/dbraw/zinc/62/46/83/1288624683.db2.gz FKKPERFXOLQVEV-AWEZNQCLSA-N -1 3 361.318 0.408 20 5 FCBDHM O=C1OC[C@]2(CNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)COCCN12 ZINC001607054213 1288624689 /nfs/dbraw/zinc/62/46/89/1288624689.db2.gz FKKPERFXOLQVEV-AWEZNQCLSA-N -1 3 361.318 0.408 20 5 FCBDHM O=C1OCC[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CCN12 ZINC001607054743 1288626004 /nfs/dbraw/zinc/62/60/04/1288626004.db2.gz QLWVXRYYNUWZQZ-GFCCVEGCSA-N -1 3 359.346 0.801 20 5 FCBDHM O=C1OCC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CCN12 ZINC001607054743 1288626010 /nfs/dbraw/zinc/62/60/10/1288626010.db2.gz QLWVXRYYNUWZQZ-GFCCVEGCSA-N -1 3 359.346 0.801 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CCN(Cc2cn[nH]c2)CC1 ZINC001607077542 1288649948 /nfs/dbraw/zinc/64/99/48/1288649948.db2.gz PEPYFSQBRXLDMH-UHFFFAOYSA-N -1 3 369.389 0.816 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CCN(Cc2cn[nH]c2)CC1 ZINC001607077542 1288649950 /nfs/dbraw/zinc/64/99/50/1288649950.db2.gz PEPYFSQBRXLDMH-UHFFFAOYSA-N -1 3 369.389 0.816 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001607076859 1288650575 /nfs/dbraw/zinc/65/05/75/1288650575.db2.gz CRYQSOXUHFGZES-OCAPTIKFSA-N -1 3 368.350 0.395 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001607076859 1288650581 /nfs/dbraw/zinc/65/05/81/1288650581.db2.gz CRYQSOXUHFGZES-OCAPTIKFSA-N -1 3 368.350 0.395 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCn2c(nnc2C(F)F)C1 ZINC001607081018 1288652475 /nfs/dbraw/zinc/65/24/75/1288652475.db2.gz XZFITAAPBDNFTM-UHFFFAOYSA-N -1 3 364.276 0.719 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCn2c(nnc2C(F)F)C1 ZINC001607081018 1288652479 /nfs/dbraw/zinc/65/24/79/1288652479.db2.gz XZFITAAPBDNFTM-UHFFFAOYSA-N -1 3 364.276 0.719 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCc1nnc2n1CCCC2 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NC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(F)cc2-c2nn[n-]n2)c1=O ZINC000737754125 598644879 /nfs/dbraw/zinc/64/48/79/598644879.db2.gz DYIPXXBAXWXEGM-UHFFFAOYSA-N -1 3 359.277 0.223 20 5 FCBDHM CC(C)Oc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1-c1nnn[n-]1 ZINC000820165940 607406768 /nfs/dbraw/zinc/40/67/68/607406768.db2.gz SGCMWAQTAFUSBK-UHFFFAOYSA-N -1 3 373.333 0.792 20 5 FCBDHM CC(C)Oc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1-c1nn[n-]n1 ZINC000820165940 607406770 /nfs/dbraw/zinc/40/67/70/607406770.db2.gz SGCMWAQTAFUSBK-UHFFFAOYSA-N -1 3 373.333 0.792 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](Cn3ccnn3)C2)c(-c2nnn[n-]2)c1 ZINC000826501071 607733734 /nfs/dbraw/zinc/73/37/34/607733734.db2.gz YDZKLVDWRAKRKL-JTQLQIEISA-N -1 3 356.350 0.678 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](Cn3ccnn3)C2)c(-c2nn[n-]n2)c1 ZINC000826501071 607733735 /nfs/dbraw/zinc/73/37/35/607733735.db2.gz YDZKLVDWRAKRKL-JTQLQIEISA-N -1 3 356.350 0.678 20 5 FCBDHM COCCN(CCC(=O)OC)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821689868 606240285 /nfs/dbraw/zinc/24/02/85/606240285.db2.gz PUBFSXQWQQJNKN-UHFFFAOYSA-N -1 3 350.335 0.791 20 5 FCBDHM COCCN(CCC(=O)OC)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821689868 606240286 /nfs/dbraw/zinc/24/02/86/606240286.db2.gz PUBFSXQWQQJNKN-UHFFFAOYSA-N -1 3 350.335 0.791 20 5 FCBDHM Nc1c(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cccc1[N+](=O)[O-] ZINC000822904017 606525262 /nfs/dbraw/zinc/52/52/62/606525262.db2.gz ROKUYLGJRUSCPB-UHFFFAOYSA-N -1 3 369.345 0.594 20 5 FCBDHM Nc1c(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cccc1[N+](=O)[O-] ZINC000822904017 606525264 /nfs/dbraw/zinc/52/52/64/606525264.db2.gz ROKUYLGJRUSCPB-UHFFFAOYSA-N -1 3 369.345 0.594 20 5 FCBDHM NS(=O)(=O)CC1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000822895227 606646137 /nfs/dbraw/zinc/64/61/37/606646137.db2.gz OMUQNVIEBYCZAJ-UHFFFAOYSA-N -1 3 367.391 0.280 20 5 FCBDHM CC[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCN1CCOC ZINC000820995889 606708258 /nfs/dbraw/zinc/70/82/58/606708258.db2.gz ZVFRMEOSLFWNGV-LLVKDONJSA-N -1 3 362.394 0.717 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ZINC000919982251 667214013 /nfs/dbraw/zinc/21/40/13/667214013.db2.gz RTYMSYQKEGPSMP-FZMZJTMJSA-N -1 3 374.438 0.955 20 5 FCBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H]2CN(C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000919982250 667214329 /nfs/dbraw/zinc/21/43/29/667214329.db2.gz RTYMSYQKEGPSMP-BXUZGUMPSA-N -1 3 374.438 0.955 20 5 FCBDHM CO[N-]C(=O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000922828159 667683870 /nfs/dbraw/zinc/68/38/70/667683870.db2.gz RYDOSLQGLVJOCR-UHFFFAOYSA-N -1 3 365.127 0.967 20 5 FCBDHM C[C@H](C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)S(N)(=O)=O ZINC000848586379 671284740 /nfs/dbraw/zinc/28/47/40/671284740.db2.gz JZDDCILWPUQYNV-SSDOTTSWSA-N -1 3 353.303 0.360 20 5 FCBDHM CCn1ncn([N-]C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1=O ZINC000854630384 1209637158 /nfs/dbraw/zinc/63/71/58/1209637158.db2.gz ADVWWBITTMBXBF-UHFFFAOYSA-N -1 3 362.346 0.193 20 5 FCBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000784848294 1221262196 /nfs/dbraw/zinc/26/21/96/1221262196.db2.gz HIDCUFDFBNRJIP-UHFFFAOYSA-N -1 3 357.326 0.922 20 5 FCBDHM O=C(c1ncccc1[O-])N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000944916871 1247683360 /nfs/dbraw/zinc/68/33/60/1247683360.db2.gz MRPBGAGISYNJQF-VXGBXAGGSA-N -1 3 360.370 0.517 20 5 FCBDHM Cn1c(-c2cc([N+](=O)[O-])c[n-]c2=O)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001516843090 1265574159 /nfs/dbraw/zinc/57/41/59/1265574159.db2.gz CBGWVLBAPSEVLZ-VIFPVBQESA-N -1 3 359.346 0.302 20 5 FCBDHM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC001321090081 1263907014 /nfs/dbraw/zinc/90/70/14/1263907014.db2.gz XOPNCGGPCGAYMJ-UHFFFAOYSA-N -1 3 371.353 0.795 20 5 FCBDHM Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001580562458 1278489874 /nfs/dbraw/zinc/48/98/74/1278489874.db2.gz ZNJQQHDEUVHDIS-UHFFFAOYSA-N -1 3 355.314 0.884 20 5 FCBDHM Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001580562458 1278489878 /nfs/dbraw/zinc/48/98/78/1278489878.db2.gz ZNJQQHDEUVHDIS-UHFFFAOYSA-N -1 3 355.314 0.884 20 5 FCBDHM Cc1c[nH]nc1C(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001580586823 1278529810 /nfs/dbraw/zinc/52/98/10/1278529810.db2.gz QZRDWYWOFZPURG-UHFFFAOYSA-N -1 3 371.361 0.991 20 5 FCBDHM Cc1c[nH]nc1C(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001580586823 1278529816 /nfs/dbraw/zinc/52/98/16/1278529816.db2.gz QZRDWYWOFZPURG-UHFFFAOYSA-N -1 3 371.361 0.991 20 5 FCBDHM C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1(=O)=O ZINC001576063715 1272812411 /nfs/dbraw/zinc/81/24/11/1272812411.db2.gz VWTJTUZVINNKPG-SFYZADRCSA-N -1 3 353.364 0.548 20 5 FCBDHM C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1(=O)=O ZINC001576063715 1272812426 /nfs/dbraw/zinc/81/24/26/1272812426.db2.gz VWTJTUZVINNKPG-SFYZADRCSA-N -1 3 353.364 0.548 20 5 FCBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2(CCO)CNC2)cc1Cl ZINC001580874605 1279081533 /nfs/dbraw/zinc/08/15/33/1279081533.db2.gz DTZYJOQCZXQTHF-UHFFFAOYSA-N -1 3 353.759 0.390 20 5 FCBDHM Cn1c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)ccc1-c1nnn[n-]1 ZINC001581750968 1280458010 /nfs/dbraw/zinc/45/80/10/1280458010.db2.gz DRIDGQYWCWSHPY-UHFFFAOYSA-N -1 3 357.330 0.922 20 5 FCBDHM Cn1c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)ccc1-c1nn[n-]n1 ZINC001581750968 1280458016 /nfs/dbraw/zinc/45/80/16/1280458016.db2.gz DRIDGQYWCWSHPY-UHFFFAOYSA-N -1 3 357.330 0.922 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Cn1nnnc1-c1ccccn1 ZINC001582803786 1282030005 /nfs/dbraw/zinc/03/00/05/1282030005.db2.gz UXFWNXWHZZWIIA-UHFFFAOYSA-N -1 3 350.302 0.872 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Cn1nnnc1-c1ccccn1 ZINC001582803786 1282030008 /nfs/dbraw/zinc/03/00/08/1282030008.db2.gz UXFWNXWHZZWIIA-UHFFFAOYSA-N -1 3 350.302 0.872 20 5 FCBDHM CC(=O)c1cn(C2CN(c3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])C2)nn1 ZINC001588922801 1282727069 /nfs/dbraw/zinc/72/70/69/1282727069.db2.gz GIYZASQHMXPQFG-UHFFFAOYSA-N -1 3 355.318 0.630 20 5 FCBDHM CC(=O)c1cn(C2CN(c3c(-c4nn[n-]n4)cccc3[N+](=O)[O-])C2)nn1 ZINC001588922801 1282727076 /nfs/dbraw/zinc/72/70/76/1282727076.db2.gz GIYZASQHMXPQFG-UHFFFAOYSA-N -1 3 355.318 0.630 20 5 FCBDHM C[C@@](NC[C@H](O)C1(O)CCOCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604333136 1287606882 /nfs/dbraw/zinc/60/68/82/1287606882.db2.gz PPRIYMMMCQRCSL-ZFWWWQNUSA-N -1 3 354.359 0.387 20 5 FCBDHM C[C@]1(C2CC2)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1=O ZINC001590121676 1283228581 /nfs/dbraw/zinc/22/85/81/1283228581.db2.gz ARAYOWCAWLRVEC-OAHLLOKOSA-N -1 3 357.330 0.995 20 5 FCBDHM C[C@]1(C2CC2)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1=O ZINC001590121676 1283228584 /nfs/dbraw/zinc/22/85/84/1283228584.db2.gz ARAYOWCAWLRVEC-OAHLLOKOSA-N -1 3 357.330 0.995 20 5 FCBDHM C[C@]12CN(c3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001590155506 1283251272 /nfs/dbraw/zinc/25/12/72/1283251272.db2.gz IUBUVWJYLLXJCR-GASCZTMLSA-N -1 3 357.330 0.264 20 5 FCBDHM C[C@]12CN(c3c(-c4nn[n-]n4)cccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001590155506 1283251279 /nfs/dbraw/zinc/25/12/79/1283251279.db2.gz IUBUVWJYLLXJCR-GASCZTMLSA-N -1 3 357.330 0.264 20 5 FCBDHM C[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CS1(=O)=O ZINC001590239019 1283375138 /nfs/dbraw/zinc/37/51/38/1283375138.db2.gz KCZCYTPPILFOFA-SFYZADRCSA-N -1 3 353.364 0.548 20 5 FCBDHM C[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CS1(=O)=O ZINC001590239019 1283375149 /nfs/dbraw/zinc/37/51/49/1283375149.db2.gz KCZCYTPPILFOFA-SFYZADRCSA-N -1 3 353.364 0.548 20 5 FCBDHM CCCc1n[nH]c(C(=O)NCc2cncc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC001590654954 1283706821 /nfs/dbraw/zinc/70/68/21/1283706821.db2.gz BDCINZRQHJPPMO-UHFFFAOYSA-N -1 3 357.334 0.776 20 5 FCBDHM CCCc1n[nH]c(C(=O)NCc2cncc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC001590654954 1283706828 /nfs/dbraw/zinc/70/68/28/1283706828.db2.gz BDCINZRQHJPPMO-UHFFFAOYSA-N -1 3 357.334 0.776 20 5 FCBDHM CCn1cc(C(=O)NCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])nn1 ZINC001590950751 1284000632 /nfs/dbraw/zinc/00/06/32/1284000632.db2.gz BNUJXGCAZAVRRE-UHFFFAOYSA-N -1 3 372.349 0.228 20 5 FCBDHM 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1284337353 /nfs/dbraw/zinc/33/73/53/1284337353.db2.gz XDXYHCPPPOHGLE-UHFFFAOYSA-N -1 3 374.405 0.706 20 5 FCBDHM COC(=O)[C@@H]1C[C@@H](O)CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591248009 1284402202 /nfs/dbraw/zinc/40/22/02/1284402202.db2.gz IOLRPVOQLNIOFK-HTQZYQBOSA-N -1 3 366.309 0.274 20 5 FCBDHM COC(=O)[C@@H]1C[C@@H](O)CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591248009 1284402203 /nfs/dbraw/zinc/40/22/03/1284402203.db2.gz IOLRPVOQLNIOFK-HTQZYQBOSA-N -1 3 366.309 0.274 20 5 FCBDHM COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591248876 1284403779 /nfs/dbraw/zinc/40/37/79/1284403779.db2.gz BUERABPPHJNRBT-STQMWFEESA-N -1 3 362.346 0.273 20 5 FCBDHM COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591248876 1284403782 /nfs/dbraw/zinc/40/37/82/1284403782.db2.gz BUERABPPHJNRBT-STQMWFEESA-N -1 3 362.346 0.273 20 5 FCBDHM COC(=O)C[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591262601 1284420016 /nfs/dbraw/zinc/42/00/16/1284420016.db2.gz MDKVNGQSODDOMZ-LBPRGKRZSA-N -1 3 362.346 0.539 20 5 FCBDHM COC(=O)C[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591262601 1284420020 /nfs/dbraw/zinc/42/00/20/1284420020.db2.gz MDKVNGQSODDOMZ-LBPRGKRZSA-N -1 3 362.346 0.539 20 5 FCBDHM COC(=O)c1cc(C2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)[nH]n1 ZINC001591288043 1284446541 /nfs/dbraw/zinc/44/65/41/1284446541.db2.gz WVGMEMYHKDESPS-UHFFFAOYSA-N -1 3 371.317 0.283 20 5 FCBDHM COC(=O)c1cc(C2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)[nH]n1 ZINC001591288043 1284446548 /nfs/dbraw/zinc/44/65/48/1284446548.db2.gz WVGMEMYHKDESPS-UHFFFAOYSA-N -1 3 371.317 0.283 20 5 FCBDHM COC[C@@H](C)OC[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591375044 1284510219 /nfs/dbraw/zinc/51/02/19/1284510219.db2.gz ITALECZKNUBZBX-MWLCHTKSSA-N -1 3 353.335 0.566 20 5 FCBDHM COC[C@@H](C)OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591375044 1284510223 /nfs/dbraw/zinc/51/02/23/1284510223.db2.gz 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C[C@H](NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000265305251 210091855 /nfs/dbraw/zinc/09/18/55/210091855.db2.gz OFNNEOWQIXJZSU-JTQLQIEISA-N -1 3 356.404 0.971 20 5 FCBDHM O=C(CCn1ccnc1)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265298411 210090553 /nfs/dbraw/zinc/09/05/53/210090553.db2.gz XFDNUVHRSQWOGL-UHFFFAOYSA-N -1 3 367.387 0.276 20 5 FCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@](C)(C(N)=O)C(C)C ZINC000285464546 213345922 /nfs/dbraw/zinc/34/59/22/213345922.db2.gz ZQKZIYKTUPEZBZ-AWEZNQCLSA-N -1 3 373.387 0.560 20 5 FCBDHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n[nH]1 ZINC000285225153 213307206 /nfs/dbraw/zinc/30/72/06/213307206.db2.gz ATAVGQWQNRUCCE-SSDOTTSWSA-N -1 3 369.359 0.832 20 5 FCBDHM O=c1[n-]nc([C@@H]2CCCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)o1 ZINC000284304761 213108133 /nfs/dbraw/zinc/10/81/33/213108133.db2.gz OUKJXZRISQIEDO-VXGBXAGGSA-N -1 3 364.358 0.890 20 5 FCBDHM O=C([O-])[C@H]1[C@H]2CCCN2CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000366995630 216061634 /nfs/dbraw/zinc/06/16/34/216061634.db2.gz LOUVMBHTRKFFMV-ZIAGYGMSSA-N -1 3 369.399 0.658 20 5 FCBDHM C[C@H]1C[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CS1 ZINC000413961468 237432151 /nfs/dbraw/zinc/43/21/51/237432151.db2.gz RUVBUYZPVPCZFI-UWVGGRQHSA-N -1 3 359.429 0.883 20 5 FCBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2nnc3n2CCOC3)c1[N+](=O)[O-] ZINC000369182980 216358852 /nfs/dbraw/zinc/35/88/52/216358852.db2.gz JOOBJRGHXKOUTP-UHFFFAOYSA-N -1 3 367.387 0.812 20 5 FCBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CN3CCN2CC3)c1[N+](=O)[O-] ZINC000190082109 209267541 /nfs/dbraw/zinc/26/75/41/209267541.db2.gz SWWBQLHGGNJQTQ-ZDUSSCGKSA-N -1 3 354.432 0.490 20 5 FCBDHM O=C1NC2(CCC2)C(=O)N1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000277502336 212367878 /nfs/dbraw/zinc/36/78/78/212367878.db2.gz VSCBCEFQTRQXNW-UHFFFAOYSA-N -1 3 368.371 0.348 20 5 FCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ncnn1C ZINC000276623739 212266208 /nfs/dbraw/zinc/26/62/08/212266208.db2.gz FMWQEOVIDMLSRS-MRVPVSSYSA-N -1 3 369.359 0.549 20 5 FCBDHM CCOC(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276063173 212150765 /nfs/dbraw/zinc/15/07/65/212150765.db2.gz CBMPRHWQMIGSDF-UHFFFAOYSA-N -1 3 360.344 0.613 20 5 FCBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCOC2)C1 ZINC000373924705 217074472 /nfs/dbraw/zinc/07/44/72/217074472.db2.gz VRLQQGBZKZZKRY-OAHLLOKOSA-N -1 3 369.399 0.512 20 5 FCBDHM NC(=O)CC1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000420700789 246613239 /nfs/dbraw/zinc/61/32/39/246613239.db2.gz FJSIEFVRCMHRDH-UHFFFAOYSA-N -1 3 371.371 0.300 20 5 FCBDHM C[C@@H]1NCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000423606487 247071976 /nfs/dbraw/zinc/07/19/76/247071976.db2.gz KJOMSHYMJNCVAL-QWRGUYRKSA-N -1 3 356.404 0.082 20 5 FCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1=O ZINC000425232883 247310518 /nfs/dbraw/zinc/31/05/18/247310518.db2.gz XPVRORWNYREJHW-SECBINFHSA-N -1 3 357.344 0.029 20 5 FCBDHM O=C(NCCNC(=O)c1ccc([O-])cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000436705101 248047959 /nfs/dbraw/zinc/04/79/59/248047959.db2.gz NSNNKSFODFGGTA-UHFFFAOYSA-N -1 3 372.337 0.785 20 5 FCBDHM O=C(CN1CCCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000436779985 248048882 /nfs/dbraw/zinc/04/88/82/248048882.db2.gz YLBOTNREVQUPQW-UHFFFAOYSA-N -1 3 362.386 0.681 20 5 FCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)c2cnn(C)c2)c1C ZINC000270224569 211170408 /nfs/dbraw/zinc/17/04/08/211170408.db2.gz PZFRNAZRTVDHFJ-LBPRGKRZSA-N -1 3 354.388 0.957 20 5 FCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCCS1(=O)=O ZINC000480876650 250289801 /nfs/dbraw/zinc/28/98/01/250289801.db2.gz PAXPQQFILGPCLG-JTQLQIEISA-N -1 3 364.401 0.459 20 5 FCBDHM COC[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269769307 211070688 /nfs/dbraw/zinc/07/06/88/211070688.db2.gz GWIQYYMAHRZNHY-MRVPVSSYSA-N -1 3 358.294 0.899 20 5 FCBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000481595469 250343912 /nfs/dbraw/zinc/34/39/12/250343912.db2.gz OUNLTRPYJFAORD-VHSXEESVSA-N -1 3 350.418 0.888 20 5 FCBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@](C)(O)CSC ZINC000318429052 488898168 /nfs/dbraw/zinc/89/81/68/488898168.db2.gz AUKLDJQWMBLNHN-GFCCVEGCSA-N -1 3 350.418 0.996 20 5 FCBDHM CN1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cn2)CC1 ZINC000011533789 487542680 /nfs/dbraw/zinc/54/26/80/487542680.db2.gz UUDGDGOYNRXFEG-UHFFFAOYSA-N -1 3 372.385 0.772 20 5 FCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC(=O)N1CCOCC1 ZINC000046034270 487963902 /nfs/dbraw/zinc/96/39/02/487963902.db2.gz CXKDTGDJLFPEHC-UHFFFAOYSA-N -1 3 357.388 0.430 20 5 FCBDHM CS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000056021114 488250194 /nfs/dbraw/zinc/25/01/94/488250194.db2.gz PKHOFKXSVAVJDG-UHFFFAOYSA-N -1 3 357.797 0.076 20 5 FCBDHM CN(C)c1noc(C[N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000188058412 488410925 /nfs/dbraw/zinc/41/09/25/488410925.db2.gz PAHQHRKRIJYCHJ-UHFFFAOYSA-N -1 3 355.376 0.706 20 5 FCBDHM CCN1CCN(CCCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000188483743 488412426 /nfs/dbraw/zinc/41/24/26/488412426.db2.gz NLJWEDVLIMCIHE-UHFFFAOYSA-N -1 3 351.407 0.843 20 5 FCBDHM C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000077616131 488415894 /nfs/dbraw/zinc/41/58/94/488415894.db2.gz YTYLQRNENGEJQB-CYBMUJFWSA-N -1 3 356.448 0.757 20 5 FCBDHM COC(=O)c1csc(S(=O)(=O)[N-]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000269157507 488475057 /nfs/dbraw/zinc/47/50/57/488475057.db2.gz VNQWQIFCONWADX-UHFFFAOYSA-N -1 3 360.373 0.618 20 5 FCBDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000269159290 488475230 /nfs/dbraw/zinc/47/52/30/488475230.db2.gz WTJYIGPFKHMZKV-UHFFFAOYSA-N -1 3 373.416 0.467 20 5 FCBDHM CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000272459232 488582212 /nfs/dbraw/zinc/58/22/12/488582212.db2.gz LFJPSOXTOGQPGL-CYBMUJFWSA-N -1 3 369.399 0.593 20 5 FCBDHM CO[C@H](C)CCNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265266902 488719954 /nfs/dbraw/zinc/71/99/54/488719954.db2.gz FGHZBJIPPJGBJV-LLVKDONJSA-N -1 3 374.419 0.597 20 5 FCBDHM COCCCCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265269588 488720687 /nfs/dbraw/zinc/72/06/87/488720687.db2.gz OAEYRRIBZHQFOF-UHFFFAOYSA-N -1 3 359.404 0.806 20 5 FCBDHM O=c1nc(CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)[nH][n-]1 ZINC000274847026 488737650 /nfs/dbraw/zinc/73/76/50/488737650.db2.gz PZVGSHNATDJLGJ-UHFFFAOYSA-N -1 3 358.362 0.595 20 5 FCBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000275003215 488752788 /nfs/dbraw/zinc/75/27/88/488752788.db2.gz GZXJDDGIOFIICC-SSDOTTSWSA-N -1 3 368.364 0.208 20 5 FCBDHM COc1c(F)cc(S(=O)(=O)[N-]CCNC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000275018751 488753737 /nfs/dbraw/zinc/75/37/37/488753737.db2.gz AJZNLODZWIJMMH-UHFFFAOYSA-N -1 3 361.351 0.547 20 5 FCBDHM COC(=O)CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)OC ZINC000277097396 488787507 /nfs/dbraw/zinc/78/75/07/488787507.db2.gz SFACQFZUHFMTIN-SNVBAGLBSA-N -1 3 374.371 0.676 20 5 FCBDHM CCOC(=O)Cc1nnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000278045149 488797593 /nfs/dbraw/zinc/79/75/93/488797593.db2.gz LJERICYCCIFFEL-UHFFFAOYSA-N -1 3 353.316 0.905 20 5 FCBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000267665047 488810647 /nfs/dbraw/zinc/81/06/47/488810647.db2.gz XPRFXIBVXUDYLM-LBPRGKRZSA-N -1 3 371.415 0.819 20 5 FCBDHM COC(=O)[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000267677751 488811646 /nfs/dbraw/zinc/81/16/46/488811646.db2.gz DFDBOPKGFQRZOX-CYBMUJFWSA-N -1 3 372.355 0.596 20 5 FCBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[C@H]1O ZINC000280988382 489045956 /nfs/dbraw/zinc/04/59/56/489045956.db2.gz LPPSMBOOMCPOKG-WCQYABFASA-N -1 3 371.415 0.540 20 5 FCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(=O)NCC(F)F)c1C ZINC000281053210 489050031 /nfs/dbraw/zinc/05/00/31/489050031.db2.gz SGOQPQTWPZFLEJ-UHFFFAOYSA-N -1 3 351.331 0.871 20 5 FCBDHM C[C@]1([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCOC1=O ZINC000289484187 489070917 /nfs/dbraw/zinc/07/09/17/489070917.db2.gz IMPXKAKMMXGLAN-ZDUSSCGKSA-N -1 3 358.328 0.350 20 5 FCBDHM COCC[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000281513381 489081643 /nfs/dbraw/zinc/08/16/43/489081643.db2.gz XNMITJLOIMSOKH-VIFPVBQESA-N -1 3 362.360 0.057 20 5 FCBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)OC ZINC000289952762 489104402 /nfs/dbraw/zinc/10/44/02/489104402.db2.gz QFYFXOKBYGVWHB-JTQLQIEISA-N -1 3 362.360 0.460 20 5 FCBDHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c(C)o1 ZINC000350899760 489351282 /nfs/dbraw/zinc/35/12/82/489351282.db2.gz KEEGLJBAABXYSQ-UHFFFAOYSA-N -1 3 368.331 0.855 20 5 FCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCS(=O)(=O)C2)c(F)c1 ZINC000286730863 489422851 /nfs/dbraw/zinc/42/28/51/489422851.db2.gz NUQJBSJPVVAFKM-SECBINFHSA-N -1 3 366.392 0.837 20 5 FCBDHM Cn1cc(N2CC[C@H]([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])C2=O)cn1 ZINC000363125976 489426656 /nfs/dbraw/zinc/42/66/56/489426656.db2.gz ZBTSACGKGGTSSI-NSHDSACASA-N -1 3 365.371 0.412 20 5 FCBDHM CN1C(=O)CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000425217893 489518627 /nfs/dbraw/zinc/51/86/27/489518627.db2.gz CIBOMXADZCLCKI-VIFPVBQESA-N -1 3 361.763 0.674 20 5 FCBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C(=O)NC ZINC000452074645 489542863 /nfs/dbraw/zinc/54/28/63/489542863.db2.gz CFCFKCINQQBRHG-JTQLQIEISA-N -1 3 359.360 0.184 20 5 FCBDHM CO[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000456153033 489608368 /nfs/dbraw/zinc/60/83/68/489608368.db2.gz WFQKODPJXYSHCV-DGCLKSJQSA-N -1 3 371.415 0.757 20 5 FCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1COC[C@H]1OC ZINC000416573658 489612469 /nfs/dbraw/zinc/61/24/69/489612469.db2.gz WFGOBCHBQNZHJV-WDEREUQCSA-N -1 3 360.344 0.074 20 5 FCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C(=O)N(C)C)CC1 ZINC000416579755 489614059 /nfs/dbraw/zinc/61/40/59/489614059.db2.gz DXIWUIZMXQBKMU-UHFFFAOYSA-N -1 3 371.371 0.281 20 5 FCBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C(=O)NC(C)C ZINC000416624786 489618830 /nfs/dbraw/zinc/61/88/30/489618830.db2.gz QNSXDUBIAOYZRF-VIFPVBQESA-N -1 3 373.387 0.573 20 5 FCBDHM COc1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n[n-]1 ZINC000490689413 489779918 /nfs/dbraw/zinc/77/99/18/489779918.db2.gz FQPGCEAMAONCFY-SSDOTTSWSA-N -1 3 350.291 0.558 20 5 FCBDHM COc1nnc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)[n-]1 ZINC000490689413 489779921 /nfs/dbraw/zinc/77/99/21/489779921.db2.gz FQPGCEAMAONCFY-SSDOTTSWSA-N -1 3 350.291 0.558 20 5 FCBDHM COc1n[n-]c(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000490689413 489779925 /nfs/dbraw/zinc/77/99/25/489779925.db2.gz FQPGCEAMAONCFY-SSDOTTSWSA-N -1 3 350.291 0.558 20 5 FCBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C(N)=O)CCOCC2)c1C ZINC000376789221 489796672 /nfs/dbraw/zinc/79/66/72/489796672.db2.gz 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1285014611 /nfs/dbraw/zinc/01/46/11/1285014611.db2.gz WMRNOWZUMXIFNV-UHFFFAOYSA-N -1 3 369.345 0.715 20 5 FCBDHM Cc1cc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc(-c2nnn[n-]2)c1 ZINC001592019768 1285072543 /nfs/dbraw/zinc/07/25/43/1285072543.db2.gz NRBKBICBLVISHE-UHFFFAOYSA-N -1 3 355.314 0.884 20 5 FCBDHM Cc1cc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc(-c2nn[n-]n2)c1 ZINC001592019768 1285072550 /nfs/dbraw/zinc/07/25/50/1285072550.db2.gz NRBKBICBLVISHE-UHFFFAOYSA-N -1 3 355.314 0.884 20 5 FCBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001592108729 1285141442 /nfs/dbraw/zinc/14/14/42/1285141442.db2.gz CUWFZMZRJDFUTP-UHFFFAOYSA-N -1 3 365.331 0.585 20 5 FCBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001592108729 1285141455 /nfs/dbraw/zinc/14/14/55/1285141455.db2.gz CUWFZMZRJDFUTP-UHFFFAOYSA-N -1 3 365.331 0.585 20 5 FCBDHM Cc1ncc(C(=O)NCCN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[nH]1 ZINC001592348096 1285263395 /nfs/dbraw/zinc/26/33/95/1285263395.db2.gz 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ZINC001592577617 1285496800 /nfs/dbraw/zinc/49/68/00/1285496800.db2.gz JXPCLQRCCTVWQB-JTQLQIEISA-N -1 3 357.334 0.561 20 5 FCBDHM Cn1cc([N+](=O)[O-])c(N2CC[C@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001592577617 1285496806 /nfs/dbraw/zinc/49/68/06/1285496806.db2.gz JXPCLQRCCTVWQB-JTQLQIEISA-N -1 3 357.334 0.561 20 5 FCBDHM Cn1nccc1[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001592604982 1285541717 /nfs/dbraw/zinc/54/17/17/1285541717.db2.gz CFFVOSHWMAAOIK-LBPRGKRZSA-N -1 3 357.334 0.481 20 5 FCBDHM Cn1nccc1[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001592604982 1285541730 /nfs/dbraw/zinc/54/17/30/1285541730.db2.gz CFFVOSHWMAAOIK-LBPRGKRZSA-N -1 3 357.334 0.481 20 5 FCBDHM NC(=O)[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001592735229 1285646897 /nfs/dbraw/zinc/64/68/97/1285646897.db2.gz LXDAGJVRXHJLLL-GFCCVEGCSA-N -1 3 354.330 0.777 20 5 FCBDHM NC(=O)[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001592735229 1285646901 /nfs/dbraw/zinc/64/69/01/1285646901.db2.gz LXDAGJVRXHJLLL-GFCCVEGCSA-N -1 3 354.330 0.777 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(NC[C@H]2CN(C3CC3)C(=O)O2)c1-c1nnn[n-]1 ZINC001592758039 1285680326 /nfs/dbraw/zinc/68/03/26/1285680326.db2.gz QNGISQJMDUBNOC-QMMMGPOBSA-N -1 3 360.334 0.752 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(NC[C@H]2CN(C3CC3)C(=O)O2)c1-c1nn[n-]n1 ZINC001592758039 1285680329 /nfs/dbraw/zinc/68/03/29/1285680329.db2.gz QNGISQJMDUBNOC-QMMMGPOBSA-N -1 3 360.334 0.752 20 5 FCBDHM Nc1ncc(C(=O)NCCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC001592762332 1285684011 /nfs/dbraw/zinc/68/40/11/1285684011.db2.gz HUZCVAFWDKVQGU-UHFFFAOYSA-N -1 3 354.330 0.725 20 5 FCBDHM Nc1ncc(C(=O)NCCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC001592762332 1285684020 /nfs/dbraw/zinc/68/40/20/1285684020.db2.gz HUZCVAFWDKVQGU-UHFFFAOYSA-N -1 3 354.330 0.725 20 5 FCBDHM O=C(C1CC1)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001592773750 1285700200 /nfs/dbraw/zinc/70/02/00/1285700200.db2.gz DYTPQCTWZIPANU-UHFFFAOYSA-N -1 3 358.362 0.983 20 5 FCBDHM O=C(C1CC1)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001592773750 1285700204 /nfs/dbraw/zinc/70/02/04/1285700204.db2.gz DYTPQCTWZIPANU-UHFFFAOYSA-N -1 3 358.362 0.983 20 5 FCBDHM CCn1nc2c(cc1=O)CN(c1cc(-c3nnn[n-]3)ccc1[N+](=O)[O-])CC2 ZINC001609260305 1289026708 /nfs/dbraw/zinc/02/67/08/1289026708.db2.gz TURCNJJREDKPPA-UHFFFAOYSA-N -1 3 368.357 0.914 20 5 FCBDHM CCn1nc2c(cc1=O)CN(c1cc(-c3nn[n-]n3)ccc1[N+](=O)[O-])CC2 ZINC001609260305 1289026712 /nfs/dbraw/zinc/02/67/12/1289026712.db2.gz TURCNJJREDKPPA-UHFFFAOYSA-N -1 3 368.357 0.914 20 5 FCBDHM O=C(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)N1CCCO1 ZINC001592874389 1285781655 /nfs/dbraw/zinc/78/16/55/1285781655.db2.gz BYESONNDWABVIQ-UHFFFAOYSA-N -1 3 370.329 0.899 20 5 FCBDHM O=C(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)N1CCCO1 ZINC001592874389 1285781663 /nfs/dbraw/zinc/78/16/63/1285781663.db2.gz BYESONNDWABVIQ-UHFFFAOYSA-N -1 3 370.329 0.899 20 5 FCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001592938015 1285827213 /nfs/dbraw/zinc/82/72/13/1285827213.db2.gz WLDPPSNTQPQMSK-UHFFFAOYSA-N -1 3 369.345 0.294 20 5 FCBDHM O=C(Cn1ccc([N+](=O)[O-])n1)N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001592938015 1285827219 /nfs/dbraw/zinc/82/72/19/1285827219.db2.gz WLDPPSNTQPQMSK-UHFFFAOYSA-N -1 3 369.345 0.294 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001592937501 1285828487 /nfs/dbraw/zinc/82/84/87/1285828487.db2.gz GILJJRULBQLDRR-UHFFFAOYSA-N -1 3 355.314 0.253 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001592937501 1285828493 /nfs/dbraw/zinc/82/84/93/1285828493.db2.gz GILJJRULBQLDRR-UHFFFAOYSA-N -1 3 355.314 0.253 20 5 FCBDHM O=C(NCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cnsn1 ZINC001593087101 1285986003 /nfs/dbraw/zinc/98/60/03/1285986003.db2.gz OZHVCHZYKQMIKQ-UHFFFAOYSA-N -1 3 361.347 0.468 20 5 FCBDHM O=C(NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cnsn1 ZINC001593087101 1285986007 /nfs/dbraw/zinc/98/60/07/1285986007.db2.gz OZHVCHZYKQMIKQ-UHFFFAOYSA-N -1 3 361.347 0.468 20 5 FCBDHM O=C(NCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1cnccn1 ZINC001593086939 1285986077 /nfs/dbraw/zinc/98/60/77/1285986077.db2.gz LSUJBOCKUKSPPF-UHFFFAOYSA-N -1 3 355.318 0.407 20 5 FCBDHM O=C(NCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1cnccn1 ZINC001593086939 1285986082 /nfs/dbraw/zinc/98/60/82/1285986082.db2.gz LSUJBOCKUKSPPF-UHFFFAOYSA-N -1 3 355.318 0.407 20 5 FCBDHM O=C(NCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1=COCCO1 ZINC001593087273 1285987286 /nfs/dbraw/zinc/98/72/86/1285987286.db2.gz SNIJGALSYHEPRQ-UHFFFAOYSA-N -1 3 361.318 0.191 20 5 FCBDHM O=C(NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1=COCCO1 ZINC001593087273 1285987292 /nfs/dbraw/zinc/98/72/92/1285987292.db2.gz SNIJGALSYHEPRQ-UHFFFAOYSA-N -1 3 361.318 0.191 20 5 FCBDHM CN1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1=O ZINC001609283142 1289044679 /nfs/dbraw/zinc/04/46/79/1289044679.db2.gz KVKTYJNTMPIVPO-MRVPVSSYSA-N -1 3 354.330 0.966 20 5 FCBDHM CN1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1=O ZINC001609283142 1289044681 /nfs/dbraw/zinc/04/46/81/1289044681.db2.gz KVKTYJNTMPIVPO-MRVPVSSYSA-N -1 3 354.330 0.966 20 5 FCBDHM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2nnn[n-]2)cn1 ZINC001593152375 1286022787 /nfs/dbraw/zinc/02/27/87/1286022787.db2.gz CPBZDSOJFIHWNI-UHFFFAOYSA-N -1 3 365.313 0.976 20 5 FCBDHM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2nn[n-]n2)cn1 ZINC001593152375 1286022791 /nfs/dbraw/zinc/02/27/91/1286022791.db2.gz CPBZDSOJFIHWNI-UHFFFAOYSA-N -1 3 365.313 0.976 20 5 FCBDHM O=C(N[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1)c1cn[nH]c1 ZINC001593191375 1286033367 /nfs/dbraw/zinc/03/33/67/1286033367.db2.gz LPMSSDIWWKNANM-XYPYZODXSA-N -1 3 369.345 0.871 20 5 FCBDHM O=C(N[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1)c1cn[nH]c1 ZINC001593191375 1286033376 /nfs/dbraw/zinc/03/33/76/1286033376.db2.gz LPMSSDIWWKNANM-XYPYZODXSA-N -1 3 369.345 0.871 20 5 FCBDHM O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001593320914 1286072043 /nfs/dbraw/zinc/07/20/43/1286072043.db2.gz KGEZQAWMIFVZFN-UHFFFAOYSA-N -1 3 369.345 0.913 20 5 FCBDHM O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001593320914 1286072048 /nfs/dbraw/zinc/07/20/48/1286072048.db2.gz KGEZQAWMIFVZFN-UHFFFAOYSA-N -1 3 369.345 0.913 20 5 FCBDHM O=C1c2nccnc2C(=O)N1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001593414839 1286139135 /nfs/dbraw/zinc/13/91/35/1286139135.db2.gz XTOWDOQMSOFPRF-UHFFFAOYSA-N -1 3 352.270 0.361 20 5 FCBDHM O=C1c2nccnc2C(=O)N1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001593414839 1286139137 /nfs/dbraw/zinc/13/91/37/1286139137.db2.gz XTOWDOQMSOFPRF-UHFFFAOYSA-N -1 3 352.270 0.361 20 5 FCBDHM CNC(=O)CN1CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001609288296 1289054386 /nfs/dbraw/zinc/05/43/86/1289054386.db2.gz INFBPUDQNBFCMW-UHFFFAOYSA-N -1 3 360.378 0.397 20 5 FCBDHM NC(=O)[C@H]1CCCN1C1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC001601143426 1286652200 /nfs/dbraw/zinc/65/22/00/1286652200.db2.gz GEEROJCWTSVURY-GFCCVEGCSA-N -1 3 363.374 0.607 20 5 FCBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC3(CC2)C[C@H](O)CNC3=O)c1 ZINC001602405142 1286997593 /nfs/dbraw/zinc/99/75/93/1286997593.db2.gz NJVGOMJRXOWYPO-ZDUSSCGKSA-N -1 3 363.370 0.756 20 5 FCBDHM CS(=O)(=O)CC1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC001609366912 1289122336 /nfs/dbraw/zinc/12/23/36/1289122336.db2.gz WGIXTJRXINMNAJ-UHFFFAOYSA-N -1 3 367.391 0.797 20 5 FCBDHM CS(=O)(=O)CC1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC001609366912 1289122338 /nfs/dbraw/zinc/12/23/38/1289122338.db2.gz WGIXTJRXINMNAJ-UHFFFAOYSA-N -1 3 367.391 0.797 20 5 FCBDHM CC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001602939486 1287166035 /nfs/dbraw/zinc/16/60/35/1287166035.db2.gz WFSLCORUDCXIPW-UHFFFAOYSA-N -1 3 361.362 0.242 20 5 FCBDHM CC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001602939486 1287166039 /nfs/dbraw/zinc/16/60/39/1287166039.db2.gz WFSLCORUDCXIPW-UHFFFAOYSA-N -1 3 361.362 0.242 20 5 FCBDHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])N1C(=O)CCC1=O ZINC001603036950 1287194588 /nfs/dbraw/zinc/19/45/88/1287194588.db2.gz JDSHBEKWPSYPDP-MRVPVSSYSA-N -1 3 374.313 0.356 20 5 FCBDHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])N1C(=O)CCC1=O ZINC001603036950 1287194592 /nfs/dbraw/zinc/19/45/92/1287194592.db2.gz JDSHBEKWPSYPDP-MRVPVSSYSA-N -1 3 374.313 0.356 20 5 FCBDHM CC(C)(C(N)=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001603051574 1287198207 /nfs/dbraw/zinc/19/82/07/1287198207.db2.gz PQGRWHHQQMPEMQ-UHFFFAOYSA-N -1 3 360.378 0.161 20 5 FCBDHM CC(C)(C(N)=O)N1CCN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001603051304 1287198423 /nfs/dbraw/zinc/19/84/23/1287198423.db2.gz GIAXXCVVOGWOCZ-UHFFFAOYSA-N -1 3 374.405 0.156 20 5 FCBDHM CC(C)(C(N)=O)N1CCN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001603051304 1287198426 /nfs/dbraw/zinc/19/84/26/1287198426.db2.gz GIAXXCVVOGWOCZ-UHFFFAOYSA-N -1 3 374.405 0.156 20 5 FCBDHM COC(=O)[C@H](CSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])NC(C)=O ZINC001604961597 1287820670 /nfs/dbraw/zinc/82/06/70/1287820670.db2.gz CVGIJXOKLPBGAH-VIFPVBQESA-N -1 3 366.359 0.545 20 5 FCBDHM COC(=O)[C@H](CSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])NC(C)=O ZINC001604961597 1287820676 /nfs/dbraw/zinc/82/06/76/1287820676.db2.gz CVGIJXOKLPBGAH-VIFPVBQESA-N -1 3 366.359 0.545 20 5 FCBDHM COC(COCCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)OC ZINC001605013488 1287837517 /nfs/dbraw/zinc/83/75/17/1287837517.db2.gz YTUNGKAIRUUGOI-UHFFFAOYSA-N -1 3 353.339 0.405 20 5 FCBDHM COC(COCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)OC ZINC001605013488 1287837521 /nfs/dbraw/zinc/83/75/21/1287837521.db2.gz YTUNGKAIRUUGOI-UHFFFAOYSA-N -1 3 353.339 0.405 20 5 FCBDHM Cc1c[nH]c(C(=O)NCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001605502110 1287984731 /nfs/dbraw/zinc/98/47/31/1287984731.db2.gz CYYKAORSFDRCQI-UHFFFAOYSA-N -1 3 357.334 0.648 20 5 FCBDHM Cc1cc([N+](=O)[O-])nn1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001605755189 1288073570 /nfs/dbraw/zinc/07/35/70/1288073570.db2.gz DXEBLQIXUJDSKR-UHFFFAOYSA-N -1 3 363.359 0.754 20 5 FCBDHM Cc1cc([N+](=O)[O-])nn1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001605755189 1288073577 /nfs/dbraw/zinc/07/35/77/1288073577.db2.gz DXEBLQIXUJDSKR-UHFFFAOYSA-N -1 3 363.359 0.754 20 5 FCBDHM Cc1cnn(C)c1C(=O)NCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605989275 1288120427 /nfs/dbraw/zinc/12/04/27/1288120427.db2.gz ICHJHPAAWOERHZ-UHFFFAOYSA-N -1 3 371.361 0.659 20 5 FCBDHM Cc1cnn(C)c1C(=O)NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605989275 1288120433 /nfs/dbraw/zinc/12/04/33/1288120433.db2.gz ICHJHPAAWOERHZ-UHFFFAOYSA-N -1 3 371.361 0.659 20 5 FCBDHM Cn1[nH]c(C2CCN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])CC2)nc1=N ZINC001606203550 1288209189 /nfs/dbraw/zinc/20/91/89/1288209189.db2.gz VAUCCWAROOORRW-UHFFFAOYSA-N -1 3 370.377 0.700 20 5 FCBDHM Cn1[nH]c(C2CCN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])CC2)nc1=N ZINC001606203550 1288209193 /nfs/dbraw/zinc/20/91/93/1288209193.db2.gz VAUCCWAROOORRW-UHFFFAOYSA-N -1 3 370.377 0.700 20 5 FCBDHM COC(=O)[C@H]1CN(C)CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001606427056 1288308298 /nfs/dbraw/zinc/30/82/98/1288308298.db2.gz VGAIJAYRFDMLGT-ZDUSSCGKSA-N -1 3 351.359 0.830 20 5 FCBDHM O=C(C1CC1)N1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001606467090 1288331857 /nfs/dbraw/zinc/33/18/57/1288331857.db2.gz JHQNOQYQOGYYPF-UHFFFAOYSA-N -1 3 358.362 0.619 20 5 FCBDHM O=C(C1CC1)N1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001606467090 1288331860 /nfs/dbraw/zinc/33/18/60/1288331860.db2.gz JHQNOQYQOGYYPF-UHFFFAOYSA-N -1 3 358.362 0.619 20 5 FCBDHM O=C(NC1CC1)N[C@@H]1CCN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001606653813 1288425389 /nfs/dbraw/zinc/42/53/89/1288425389.db2.gz SHMBDIMEYZDOKI-LLVKDONJSA-N -1 3 372.389 0.811 20 5 FCBDHM O=C(NC1CC1)N[C@@H]1CCN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001606653813 1288425391 /nfs/dbraw/zinc/42/53/91/1288425391.db2.gz SHMBDIMEYZDOKI-LLVKDONJSA-N -1 3 372.389 0.811 20 5 FCBDHM O=C(NCCO)C1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001606786993 1288517430 /nfs/dbraw/zinc/51/74/30/1288517430.db2.gz NCWYAVWDGBXWLX-UHFFFAOYSA-N -1 3 361.362 0.100 20 5 FCBDHM O=C(NCCO)C1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001606786993 1288517431 /nfs/dbraw/zinc/51/74/31/1288517431.db2.gz NCWYAVWDGBXWLX-UHFFFAOYSA-N -1 3 361.362 0.100 20 5 FCBDHM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(-c2nnn[n-]2)ccn1 ZINC001606847074 1288539697 /nfs/dbraw/zinc/53/96/97/1288539697.db2.gz HJIYUEMXOOABAH-UHFFFAOYSA-N -1 3 365.313 0.976 20 5 FCBDHM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(-c2nn[n-]n2)ccn1 ZINC001606847074 1288539700 /nfs/dbraw/zinc/53/97/00/1288539700.db2.gz HJIYUEMXOOABAH-UHFFFAOYSA-N -1 3 365.313 0.976 20 5 FCBDHM O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001607018995 1288593400 /nfs/dbraw/zinc/59/34/00/1288593400.db2.gz 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1285899765 /nfs/dbraw/zinc/89/97/65/1285899765.db2.gz RTVILUKHLZRSCQ-UHFFFAOYSA-N -1 3 369.345 0.873 20 5 FCBDHM O=C(NCC1CC1)[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001593026805 1285910815 /nfs/dbraw/zinc/91/08/15/1285910815.db2.gz ASSGRLJQQKFNEV-NSHDSACASA-N -1 3 372.389 0.913 20 5 FCBDHM O=C(NCC1CC1)[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001593026805 1285910821 /nfs/dbraw/zinc/91/08/21/1285910821.db2.gz ASSGRLJQQKFNEV-NSHDSACASA-N -1 3 372.389 0.913 20 5 FCBDHM O=C(NCC1CC1)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001593029935 1285913607 /nfs/dbraw/zinc/91/36/07/1285913607.db2.gz ZFGFUAOFVIMGIV-LLVKDONJSA-N -1 3 372.389 0.913 20 5 FCBDHM O=C(NCC1CC1)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001593029935 1285913610 /nfs/dbraw/zinc/91/36/10/1285913610.db2.gz ZFGFUAOFVIMGIV-LLVKDONJSA-N -1 3 372.389 0.913 20 5 FCBDHM O=C(NC/C=C/CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cn[nH]c1 ZINC001593050794 1285944623 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0.979 20 5 FCBDHM O=C(N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1)c1cn[nH]c1 ZINC001593187111 1286029780 /nfs/dbraw/zinc/02/97/80/1286029780.db2.gz XXLKHJHXQWOVLW-AOOOYVTPSA-N -1 3 369.345 0.871 20 5 FCBDHM O=C(N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1)c1cn[nH]c1 ZINC001593187111 1286029786 /nfs/dbraw/zinc/02/97/86/1286029786.db2.gz XXLKHJHXQWOVLW-AOOOYVTPSA-N -1 3 369.345 0.871 20 5 FCBDHM O=C1NCC2(CCOCC2)[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001593404548 1286126767 /nfs/dbraw/zinc/12/67/67/1286126767.db2.gz BJUNBDXBAASGTL-LBPRGKRZSA-N -1 3 359.346 0.482 20 5 FCBDHM O=C1NCC2(CCOCC2)[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001593404548 1286126772 /nfs/dbraw/zinc/12/67/72/1286126772.db2.gz BJUNBDXBAASGTL-LBPRGKRZSA-N -1 3 359.346 0.482 20 5 FCBDHM O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1cncc(-c2nnn[n-]2)c1 ZINC001593413691 1286136165 /nfs/dbraw/zinc/13/61/65/1286136165.db2.gz XPPFGDPXVXCVOX-UHFFFAOYSA-N -1 3 351.282 0.966 20 5 FCBDHM O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1cncc(-c2nn[n-]n2)c1 ZINC001593413691 1286136170 /nfs/dbraw/zinc/13/61/70/1286136170.db2.gz XPPFGDPXVXCVOX-UHFFFAOYSA-N -1 3 351.282 0.966 20 5 FCBDHM O=C1OCC[C@H]1N1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001593414533 1286137660 /nfs/dbraw/zinc/13/76/60/1286137660.db2.gz JLNZATLGFFIDSS-CQSZACIVSA-N -1 3 373.373 0.967 20 5 FCBDHM O=C1OCC[C@H]1N1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001593414533 1286137663 /nfs/dbraw/zinc/13/76/63/1286137663.db2.gz JLNZATLGFFIDSS-CQSZACIVSA-N -1 3 373.373 0.967 20 5 FCBDHM O=C1OCC[C@@H]1N1CCC(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001593414923 1286138847 /nfs/dbraw/zinc/13/88/47/1286138847.db2.gz PGELRPQVIHKDMF-AWEZNQCLSA-N -1 3 373.373 0.967 20 5 FCBDHM O=C1OCC[C@@H]1N1CCC(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001593414923 1286138851 /nfs/dbraw/zinc/13/88/51/1286138851.db2.gz PGELRPQVIHKDMF-AWEZNQCLSA-N -1 3 373.373 0.967 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001593470356 1286172378 /nfs/dbraw/zinc/17/23/78/1286172378.db2.gz LUEMNLNFMYYSHA-PSASIEDQSA-N -1 3 365.375 0.041 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001593470356 1286172381 /nfs/dbraw/zinc/17/23/81/1286172381.db2.gz LUEMNLNFMYYSHA-PSASIEDQSA-N -1 3 365.375 0.041 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001593470881 1286172928 /nfs/dbraw/zinc/17/29/28/1286172928.db2.gz OZAOHTMCYKUPQR-ZIAGYGMSSA-N -1 3 369.341 0.798 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001593470881 1286172931 /nfs/dbraw/zinc/17/29/31/1286172931.db2.gz OZAOHTMCYKUPQR-ZIAGYGMSSA-N -1 3 369.341 0.798 20 5 FCBDHM O=[N+]([O-])c1cnc(NCCc2nnc3n2CCCC3)c(-c2nnn[n-]2)c1 ZINC001593484816 1286173572 /nfs/dbraw/zinc/17/35/72/1286173572.db2.gz JDHNSWLDIDNSCR-UHFFFAOYSA-N -1 3 356.350 0.752 20 5 FCBDHM O=[N+]([O-])c1cnc(NCCc2nnc3n2CCCC3)c(-c2nn[n-]n2)c1 ZINC001593484816 1286173576 /nfs/dbraw/zinc/17/35/76/1286173576.db2.gz JDHNSWLDIDNSCR-UHFFFAOYSA-N -1 3 356.350 0.752 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3C[C@@H](O)[C@@H](O)C3)cc(-c3nnn[n-]3)c2c1 ZINC001593480869 1286173636 /nfs/dbraw/zinc/17/36/36/1286173636.db2.gz RREGFKOGDSIUQK-LETZQBOASA-N -1 3 357.330 0.619 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3C[C@@H](O)[C@@H](O)C3)cc(-c3nn[n-]n3)c2c1 ZINC001593480869 1286173638 /nfs/dbraw/zinc/17/36/38/1286173638.db2.gz RREGFKOGDSIUQK-LETZQBOASA-N -1 3 357.330 0.619 20 5 FCBDHM O=[N+]([O-])c1cnn(CN2CC[C@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)c1 ZINC001593487384 1286175616 /nfs/dbraw/zinc/17/56/16/1286175616.db2.gz LBRXHQPOTWMSRT-LBPRGKRZSA-N -1 3 357.334 0.477 20 5 FCBDHM O=[N+]([O-])c1cnn(CN2CC[C@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)c1 ZINC001593487384 1286175620 /nfs/dbraw/zinc/17/56/20/1286175620.db2.gz LBRXHQPOTWMSRT-LBPRGKRZSA-N -1 3 357.334 0.477 20 5 FCBDHM O=c1c2ccncc2ncn1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001593493554 1286180040 /nfs/dbraw/zinc/18/00/40/1286180040.db2.gz APRZSFIAEQSVTI-UHFFFAOYSA-N -1 3 350.298 0.928 20 5 FCBDHM O=c1c2ccncc2ncn1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001593493554 1286180043 /nfs/dbraw/zinc/18/00/43/1286180043.db2.gz APRZSFIAEQSVTI-UHFFFAOYSA-N -1 3 350.298 0.928 20 5 FCBDHM O=C1N=NCN1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001593492445 1286180101 /nfs/dbraw/zinc/18/01/01/1286180101.db2.gz QABBUYKDOUMFGP-UHFFFAOYSA-N -1 3 358.322 0.309 20 5 FCBDHM O=C1N=NCN1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001593492445 1286180105 /nfs/dbraw/zinc/18/01/05/1286180105.db2.gz QABBUYKDOUMFGP-UHFFFAOYSA-N -1 3 358.322 0.309 20 5 FCBDHM O=c1cc2c(n[nH]1)CCN(Cc1c(-c3nnn[n-]3)cccc1[N+](=O)[O-])C2 ZINC001593495757 1286181428 /nfs/dbraw/zinc/18/14/28/1286181428.db2.gz ULGCMPHFMOUKPH-UHFFFAOYSA-N -1 3 354.330 0.829 20 5 FCBDHM O=c1cc2c(n[nH]1)CCN(Cc1c(-c3nn[n-]n3)cccc1[N+](=O)[O-])C2 ZINC001593495757 1286181432 /nfs/dbraw/zinc/18/14/32/1286181432.db2.gz ULGCMPHFMOUKPH-UHFFFAOYSA-N -1 3 354.330 0.829 20 5 FCBDHM COC(=O)C[C@]1(NCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCOC1 ZINC001609298741 1289068806 /nfs/dbraw/zinc/06/88/06/1289068806.db2.gz ZGJJUJXSYATKMJ-OAHLLOKOSA-N -1 3 362.346 0.587 20 5 FCBDHM COC(=O)C[C@]1(NCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCOC1 ZINC001609298741 1289068811 /nfs/dbraw/zinc/06/88/11/1289068811.db2.gz ZGJJUJXSYATKMJ-OAHLLOKOSA-N -1 3 362.346 0.587 20 5 FCBDHM Cc1c(NC(=O)C(=O)N(C)CCN(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600024084 1286426469 /nfs/dbraw/zinc/42/64/69/1286426469.db2.gz BTRDRLALAGGNDQ-UHFFFAOYSA-N -1 3 352.347 0.560 20 5 FCBDHM COC(=O)[C@@H]1[C@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1(F)F ZINC001604959865 1287819441 /nfs/dbraw/zinc/81/94/41/1287819441.db2.gz NVCAIZOLLZUNFA-CDUCUWFYSA-N -1 3 369.288 0.823 20 5 FCBDHM COC(=O)[C@@H]1[C@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1(F)F ZINC001604959865 1287819444 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ZINC001604772341 1287773015 /nfs/dbraw/zinc/77/30/15/1287773015.db2.gz KBSABHTXZHIUNB-UHFFFAOYSA-N -1 3 369.345 0.431 20 5 FCBDHM CN(CCNC(=O)c1cccnn1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604772341 1287773021 /nfs/dbraw/zinc/77/30/21/1287773021.db2.gz KBSABHTXZHIUNB-UHFFFAOYSA-N -1 3 369.345 0.431 20 5 FCBDHM CN(CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(=O)Cc1cnoc1 ZINC001604772013 1287773836 /nfs/dbraw/zinc/77/38/36/1287773836.db2.gz YYEANQFKRRIORW-UHFFFAOYSA-N -1 3 372.345 0.876 20 5 FCBDHM CN(CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(=O)Cc1cnoc1 ZINC001604772013 1287773838 /nfs/dbraw/zinc/77/38/38/1287773838.db2.gz YYEANQFKRRIORW-UHFFFAOYSA-N -1 3 372.345 0.876 20 5 FCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001592399425 1285312604 /nfs/dbraw/zinc/31/26/04/1285312604.db2.gz HCAXECQFTUSTAG-UHFFFAOYSA-N -1 3 354.330 0.869 20 5 FCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001592399425 1285312615 /nfs/dbraw/zinc/31/26/15/1285312615.db2.gz HCAXECQFTUSTAG-UHFFFAOYSA-N -1 3 354.330 0.869 20 5 FCBDHM Cc1ncoc1C(=O)NCCN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592422654 1285354925 /nfs/dbraw/zinc/35/49/25/1285354925.db2.gz LCYBTTIMWJSBFJ-UHFFFAOYSA-N -1 3 372.345 0.938 20 5 FCBDHM Cc1ncoc1C(=O)NCCN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592422654 1285354932 /nfs/dbraw/zinc/35/49/32/1285354932.db2.gz LCYBTTIMWJSBFJ-UHFFFAOYSA-N -1 3 372.345 0.938 20 5 FCBDHM Cc1nn(CN2CC[C@@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)cc1[N+](=O)[O-] ZINC001592437014 1285368419 /nfs/dbraw/zinc/36/84/19/1285368419.db2.gz GYRANERPIUIPFL-GFCCVEGCSA-N -1 3 371.361 0.786 20 5 FCBDHM Cc1nn(CN2CC[C@@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)cc1[N+](=O)[O-] ZINC001592437014 1285368430 /nfs/dbraw/zinc/36/84/30/1285368430.db2.gz GYRANERPIUIPFL-GFCCVEGCSA-N -1 3 371.361 0.786 20 5 FCBDHM Cc1nn(Cc2cc(=O)n3ncc(-c4nnn[n-]4)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC001592437359 1285369646 /nfs/dbraw/zinc/36/96/46/1285369646.db2.gz DEXMVCZEFZEQRK-UHFFFAOYSA-N -1 3 356.306 0.385 20 5 FCBDHM Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC001592577093 1285494028 /nfs/dbraw/zinc/49/40/28/1285494028.db2.gz QBOSALDWHQMJKN-NSHDSACASA-N -1 3 354.330 0.926 20 5 FCBDHM Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC001592577093 1285494031 /nfs/dbraw/zinc/49/40/31/1285494031.db2.gz QBOSALDWHQMJKN-NSHDSACASA-N -1 3 354.330 0.926 20 5 FCBDHM Cn1cnc(C(=O)NCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001592586770 1285511268 /nfs/dbraw/zinc/51/12/68/1285511268.db2.gz KOXQSKBAPNULCN-UHFFFAOYSA-N -1 3 357.334 0.350 20 5 FCBDHM Cn1cnc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001592586770 1285511277 /nfs/dbraw/zinc/51/12/77/1285511277.db2.gz KOXQSKBAPNULCN-UHFFFAOYSA-N -1 3 357.334 0.350 20 5 FCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001592602141 1285536555 /nfs/dbraw/zinc/53/65/55/1285536555.db2.gz JHIITBYUANGNAG-LLVKDONJSA-N -1 3 354.330 0.406 20 5 FCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001592602141 1285536561 /nfs/dbraw/zinc/53/65/61/1285536561.db2.gz JHIITBYUANGNAG-LLVKDONJSA-N -1 3 354.330 0.406 20 5 FCBDHM NS(=O)(=O)C[C@@H]1CCCN1c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592747230 1285667651 /nfs/dbraw/zinc/66/76/51/1285667651.db2.gz WQBACDSSJMNHIA-QMMMGPOBSA-N -1 3 353.364 0.032 20 5 FCBDHM NS(=O)(=O)C[C@@H]1CCCN1c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592747230 1285667659 /nfs/dbraw/zinc/66/76/59/1285667659.db2.gz WQBACDSSJMNHIA-QMMMGPOBSA-N -1 3 353.364 0.032 20 5 FCBDHM NS(=O)(=O)C1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCC1 ZINC001592747610 1285667881 /nfs/dbraw/zinc/66/78/81/1285667881.db2.gz VIEPLDAEHQSGEV-UHFFFAOYSA-N -1 3 353.364 0.398 20 5 FCBDHM NS(=O)(=O)C1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCC1 ZINC001592747610 1285667885 /nfs/dbraw/zinc/66/78/85/1285667885.db2.gz VIEPLDAEHQSGEV-UHFFFAOYSA-N -1 3 353.364 0.398 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC(N3CCCC3=O)CC2)c1-c1nnn[n-]1 ZINC001592756705 1285680371 /nfs/dbraw/zinc/68/03/71/1285680371.db2.gz KSXAVODEDSEDQL-UHFFFAOYSA-N -1 3 372.389 0.948 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC(N3CCCC3=O)CC2)c1-c1nn[n-]n1 ZINC001592756705 1285680374 /nfs/dbraw/zinc/68/03/74/1285680374.db2.gz KSXAVODEDSEDQL-UHFFFAOYSA-N -1 3 372.389 0.948 20 5 FCBDHM Nc1nc(N2CC(Nc3cccc(-c4nnn[n-]4)c3)C2)ncc1[N+](=O)[O-] ZINC001592761705 1285685102 /nfs/dbraw/zinc/68/51/02/1285685102.db2.gz SWTIIASCNZEWGD-UHFFFAOYSA-N -1 3 354.334 0.448 20 5 FCBDHM Nc1nc(N2CC(Nc3cccc(-c4nn[n-]n4)c3)C2)ncc1[N+](=O)[O-] ZINC001592761705 1285685107 /nfs/dbraw/zinc/68/51/07/1285685107.db2.gz SWTIIASCNZEWGD-UHFFFAOYSA-N -1 3 354.334 0.448 20 5 FCBDHM CCn1cc([N+](=O)[O-])c(C(=O)NCCNc2ncccc2-c2nnn[n-]2)n1 ZINC001609259146 1289023931 /nfs/dbraw/zinc/02/39/31/1289023931.db2.gz UZDGDSMUXQJZCC-UHFFFAOYSA-N -1 3 372.349 0.228 20 5 FCBDHM CCn1cc([N+](=O)[O-])c(C(=O)NCCNc2ncccc2-c2nn[n-]n2)n1 ZINC001609259146 1289023938 /nfs/dbraw/zinc/02/39/38/1289023938.db2.gz UZDGDSMUXQJZCC-UHFFFAOYSA-N -1 3 372.349 0.228 20 5 FCBDHM O=C(Cc1ccc[nH]1)NCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592920217 1285809765 /nfs/dbraw/zinc/80/97/65/1285809765.db2.gz NQWLDBIVZUXJJP-UHFFFAOYSA-N -1 3 356.346 0.874 20 5 FCBDHM O=C(Cc1ccc[nH]1)NCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592920217 1285809774 /nfs/dbraw/zinc/80/97/74/1285809774.db2.gz NQWLDBIVZUXJJP-UHFFFAOYSA-N -1 3 356.346 0.874 20 5 FCBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc2n(c1-c1nnn[n-]1)CCOC2 ZINC001592919761 1285811053 /nfs/dbraw/zinc/81/10/53/1285811053.db2.gz QUANOYRCEWYIDX-UHFFFAOYSA-N -1 3 370.329 0.683 20 5 FCBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc2n(c1-c1nn[n-]n1)CCOC2 ZINC001592919761 1285811061 /nfs/dbraw/zinc/81/10/61/1285811061.db2.gz QUANOYRCEWYIDX-UHFFFAOYSA-N -1 3 370.329 0.683 20 5 FCBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc2n(c1-c1nnn[n-]1)CCOC2 ZINC001592922105 1285813462 /nfs/dbraw/zinc/81/34/62/1285813462.db2.gz RYCIEAWZBZCPJJ-UHFFFAOYSA-N -1 3 370.329 0.683 20 5 FCBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc2n(c1-c1nn[n-]n1)CCOC2 ZINC001592922105 1285813465 /nfs/dbraw/zinc/81/34/65/1285813465.db2.gz RYCIEAWZBZCPJJ-UHFFFAOYSA-N -1 3 370.329 0.683 20 5 FCBDHM O=C(NCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1[C@@H]2COC[C@@H]21 ZINC001593074752 1285969137 /nfs/dbraw/zinc/96/91/37/1285969137.db2.gz TYLGMSZWKRMEDB-YABSGUDNSA-N -1 3 373.373 0.586 20 5 FCBDHM O=C(NCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1[C@@H]2COC[C@@H]21 ZINC001593074752 1285969145 /nfs/dbraw/zinc/96/91/45/1285969145.db2.gz TYLGMSZWKRMEDB-YABSGUDNSA-N -1 3 373.373 0.586 20 5 FCBDHM O=C(NCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C1=CCOCC1 ZINC001593086828 1285986839 /nfs/dbraw/zinc/98/68/39/1285986839.db2.gz FPXGGOYKCKPFJA-UHFFFAOYSA-N -1 3 359.346 0.650 20 5 FCBDHM O=C(NCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C1=CCOCC1 ZINC001593086828 1285986842 /nfs/dbraw/zinc/98/68/42/1285986842.db2.gz FPXGGOYKCKPFJA-UHFFFAOYSA-N -1 3 359.346 0.650 20 5 FCBDHM O=C(N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001593192385 1286035191 /nfs/dbraw/zinc/03/51/91/1286035191.db2.gz LLUARNJMVBYNCP-MGCOHNPYSA-N -1 3 369.345 0.871 20 5 FCBDHM O=C(N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001593192385 1286035197 /nfs/dbraw/zinc/03/51/97/1286035197.db2.gz LLUARNJMVBYNCP-MGCOHNPYSA-N -1 3 369.345 0.871 20 5 FCBDHM O=C1NCCN1[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001593407746 1286130936 /nfs/dbraw/zinc/13/09/36/1286130936.db2.gz NXLWLNYWGJPQNT-CYBMUJFWSA-N -1 3 372.389 0.765 20 5 FCBDHM O=C1NCCN1[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001593407746 1286130940 /nfs/dbraw/zinc/13/09/40/1286130940.db2.gz NXLWLNYWGJPQNT-CYBMUJFWSA-N -1 3 372.389 0.765 20 5 FCBDHM O=C1N[C@H]2CCN(c3cc(F)c(-c4nnn[n-]4)cc3[N+](=O)[O-])C[C@@H]2CO1 ZINC001593411000 1286134065 /nfs/dbraw/zinc/13/40/65/1286134065.db2.gz WHVUUNISKBGAOB-XCBNKYQSSA-N -1 3 363.309 0.849 20 5 FCBDHM O=C1N[C@H]2CCN(c3cc(F)c(-c4nn[n-]n4)cc3[N+](=O)[O-])C[C@@H]2CO1 ZINC001593411000 1286134068 /nfs/dbraw/zinc/13/40/68/1286134068.db2.gz WHVUUNISKBGAOB-XCBNKYQSSA-N -1 3 363.309 0.849 20 5 FCBDHM CNC(=O)CN1CCC(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001609288459 1289055165 /nfs/dbraw/zinc/05/51/65/1289055165.db2.gz SEINGNZQSSYPNV-UHFFFAOYSA-N -1 3 360.378 0.397 20 5 FCBDHM CNC(=O)CN1CCC(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001609288459 1289055173 /nfs/dbraw/zinc/05/51/73/1289055173.db2.gz SEINGNZQSSYPNV-UHFFFAOYSA-N -1 3 360.378 0.397 20 5 FCBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](N2CCOCC2)CC1 ZINC001593465936 1286171319 /nfs/dbraw/zinc/17/13/19/1286171319.db2.gz JXJJLVHFJHHRFP-GFCCVEGCSA-N -1 3 374.405 0.861 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC[S@](=O)CC(F)(F)F ZINC001593470139 1286172631 /nfs/dbraw/zinc/17/26/31/1286172631.db2.gz FOUBYVZKMVUUDB-DEOSSOPVSA-N -1 3 365.297 0.893 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC[S@](=O)CC(F)(F)F ZINC001593470139 1286172634 /nfs/dbraw/zinc/17/26/34/1286172634.db2.gz FOUBYVZKMVUUDB-DEOSSOPVSA-N -1 3 365.297 0.893 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Cn1nnnc1C1CCOCC1 ZINC001593469188 1286172842 /nfs/dbraw/zinc/17/28/42/1286172842.db2.gz ZTBLWRBRVOXNJN-UHFFFAOYSA-N -1 3 357.334 0.704 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Cn1nnnc1C1CCOCC1 ZINC001593469188 1286172846 /nfs/dbraw/zinc/17/28/46/1286172846.db2.gz ZTBLWRBRVOXNJN-UHFFFAOYSA-N -1 3 357.334 0.704 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N3CCOC[C@@H]3CCO)cc(-c3nnn[n-]3)c2c1 ZINC001593480144 1286174767 /nfs/dbraw/zinc/17/47/67/1286174767.db2.gz FUYKKSOFMRZIHB-NSHDSACASA-N -1 3 371.357 0.911 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N3CCOC[C@@H]3CCO)cc(-c3nn[n-]n3)c2c1 ZINC001593480144 1286174768 /nfs/dbraw/zinc/17/47/68/1286174768.db2.gz FUYKKSOFMRZIHB-NSHDSACASA-N -1 3 371.357 0.911 20 5 FCBDHM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001593487214 1286176353 /nfs/dbraw/zinc/17/63/53/1286176353.db2.gz FPGQVFADOXTAQN-ZJUUUORDSA-N -1 3 365.419 0.872 20 5 FCBDHM COC(=O)C[C@H]1COCCN1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609298098 1289068579 /nfs/dbraw/zinc/06/85/79/1289068579.db2.gz ICRYDHLGYJEMMR-JTQLQIEISA-N -1 3 362.346 0.539 20 5 FCBDHM COC(=O)C[C@H]1COCCN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609298098 1289068586 /nfs/dbraw/zinc/06/85/86/1289068586.db2.gz ICRYDHLGYJEMMR-JTQLQIEISA-N -1 3 362.346 0.539 20 5 FCBDHM O=C([O-])[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC=Cc1ccccc1[N+](=O)[O-] ZINC001602199239 1286965698 /nfs/dbraw/zinc/96/56/98/1286965698.db2.gz HAKYCGAUYOWIPV-FLBZCCBISA-N -1 3 374.353 0.687 20 5 FCBDHM CS(=O)(=O)C1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001609365556 1289119544 /nfs/dbraw/zinc/11/95/44/1289119544.db2.gz CYSOZPOATBVOEU-UHFFFAOYSA-N -1 3 352.376 0.788 20 5 FCBDHM CS(=O)(=O)C1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001609365556 1289119545 /nfs/dbraw/zinc/11/95/45/1289119545.db2.gz CYSOZPOATBVOEU-UHFFFAOYSA-N -1 3 352.376 0.788 20 5 FCBDHM CC(C)(C)C(=O)C(=O)NCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 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1285646784 /nfs/dbraw/zinc/64/67/84/1285646784.db2.gz SCTSPASQDBENBU-NSHDSACASA-N -1 3 366.341 0.848 20 5 FCBDHM Nc1ccn(CCCOc2ccc(-c3nn[n-]n3)cc2)c(=O)c1[N+](=O)[O-] ZINC001592760830 1285681036 /nfs/dbraw/zinc/68/10/36/1285681036.db2.gz TXKJTDOZROVYID-UHFFFAOYSA-N -1 3 357.330 0.988 20 5 FCBDHM Nc1ncc(C(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1[N+](=O)[O-] ZINC001592762939 1285684756 /nfs/dbraw/zinc/68/47/56/1285684756.db2.gz RLRDGNXBHUSNID-LBPRGKRZSA-N -1 3 366.341 0.649 20 5 FCBDHM Nc1ncc(C(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1[N+](=O)[O-] ZINC001592762939 1285684759 /nfs/dbraw/zinc/68/47/59/1285684759.db2.gz RLRDGNXBHUSNID-LBPRGKRZSA-N -1 3 366.341 0.649 20 5 FCBDHM O=C([C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1)N1CCCC1 ZINC001592783734 1285704708 /nfs/dbraw/zinc/70/47/08/1285704708.db2.gz ANQGLOOATIBMDN-SNVBAGLBSA-N -1 3 358.362 0.619 20 5 FCBDHM O=C([C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1)N1CCCC1 ZINC001592783734 1285704717 /nfs/dbraw/zinc/70/47/17/1285704717.db2.gz ANQGLOOATIBMDN-SNVBAGLBSA-N -1 3 358.362 0.619 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001592937511 1285827366 /nfs/dbraw/zinc/82/73/66/1285827366.db2.gz GWFFZGXRTRTKDH-UHFFFAOYSA-N -1 3 359.277 0.714 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001592937511 1285827372 /nfs/dbraw/zinc/82/73/72/1285827372.db2.gz GWFFZGXRTRTKDH-UHFFFAOYSA-N -1 3 359.277 0.714 20 5 FCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001592941175 1285833644 /nfs/dbraw/zinc/83/36/44/1285833644.db2.gz GSTHBVSMVOTTIX-NSHDSACASA-N -1 3 355.318 0.170 20 5 FCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001592941175 1285833653 /nfs/dbraw/zinc/83/36/53/1285833653.db2.gz GSTHBVSMVOTTIX-NSHDSACASA-N -1 3 355.318 0.170 20 5 FCBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1ccc(-c2nnn[n-]2)s1 ZINC001593107475 1286006697 /nfs/dbraw/zinc/00/66/97/1286006697.db2.gz KOGQYEKDFKHGAS-UHFFFAOYSA-N -1 3 363.363 0.532 20 5 FCBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001593107443 1286008178 /nfs/dbraw/zinc/00/81/78/1286008178.db2.gz IGSYQEUSXOEOJC-UHFFFAOYSA-N -1 3 361.297 0.932 20 5 FCBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001593107443 1286008182 /nfs/dbraw/zinc/00/81/82/1286008182.db2.gz IGSYQEUSXOEOJC-UHFFFAOYSA-N -1 3 361.297 0.932 20 5 FCBDHM O=C1NCC2(CCOCC2)[C@H]1NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001593405744 1286127995 /nfs/dbraw/zinc/12/79/95/1286127995.db2.gz MXFQSMQOQOPLSV-ZDUSSCGKSA-N -1 3 373.373 0.160 20 5 FCBDHM O=C1NCC2(CCOCC2)[C@H]1NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001593405744 1286128000 /nfs/dbraw/zinc/12/80/00/1286128000.db2.gz MXFQSMQOQOPLSV-ZDUSSCGKSA-N -1 3 373.373 0.160 20 5 FCBDHM O=C1OCC[C@H]1N1CCC(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001593415384 1286138952 /nfs/dbraw/zinc/13/89/52/1286138952.db2.gz ZMDQPXIWFWQACQ-CYBMUJFWSA-N -1 3 373.373 0.967 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001593470366 1286171837 /nfs/dbraw/zinc/17/18/37/1286171837.db2.gz LUEMNLNFMYYSHA-WPRPVWTQSA-N -1 3 365.375 0.041 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001593470366 1286171842 /nfs/dbraw/zinc/17/18/42/1286171842.db2.gz LUEMNLNFMYYSHA-WPRPVWTQSA-N -1 3 365.375 0.041 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCN(Cc2cncs2)CC1 ZINC001593469724 1286171985 /nfs/dbraw/zinc/17/19/85/1286171985.db2.gz DLBKRGMGBGORRO-UHFFFAOYSA-N -1 3 373.402 0.949 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCN(Cc2cncs2)CC1 ZINC001593469724 1286171988 /nfs/dbraw/zinc/17/19/88/1286171988.db2.gz DLBKRGMGBGORRO-UHFFFAOYSA-N -1 3 373.402 0.949 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)Cc1ccno1 ZINC001593470374 1286172203 /nfs/dbraw/zinc/17/22/03/1286172203.db2.gz MENCUELETXMETG-UHFFFAOYSA-N -1 3 352.288 0.672 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)Cc1ccno1 ZINC001593470374 1286172207 /nfs/dbraw/zinc/17/22/07/1286172207.db2.gz MENCUELETXMETG-UHFFFAOYSA-N -1 3 352.288 0.672 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1C[C@H](CCO)[C@H](CO)C1 ZINC001593469384 1286172656 /nfs/dbraw/zinc/17/26/56/1286172656.db2.gz OSRBYHCWTFBFAY-IUCAKERBSA-N -1 3 352.326 0.341 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@H](CCO)[C@H](CO)C1 ZINC001593469384 1286172658 /nfs/dbraw/zinc/17/26/58/1286172658.db2.gz OSRBYHCWTFBFAY-IUCAKERBSA-N -1 3 352.326 0.341 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N3CCOC[C@@H](O)C3)cc(-c3nnn[n-]3)c2c1 ZINC001593481403 1286173584 /nfs/dbraw/zinc/17/35/84/1286173584.db2.gz YIRFKMCFEKWVAU-JTQLQIEISA-N -1 3 357.330 0.521 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N3CCOC[C@@H](O)C3)cc(-c3nn[n-]n3)c2c1 ZINC001593481403 1286173589 /nfs/dbraw/zinc/17/35/89/1286173589.db2.gz YIRFKMCFEKWVAU-JTQLQIEISA-N -1 3 357.330 0.521 20 5 FCBDHM O=[N+]([O-])c1cnc(NCC[C@H]2CCCS2(=O)=O)c(-c2nnn[n-]2)c1 ZINC001593484520 1286173881 /nfs/dbraw/zinc/17/38/81/1286173881.db2.gz CVKXDGNJNWXOEN-SECBINFHSA-N -1 3 353.364 0.549 20 5 FCBDHM O=[N+]([O-])c1cnc(NCC[C@H]2CCCS2(=O)=O)c(-c2nn[n-]n2)c1 ZINC001593484520 1286173887 /nfs/dbraw/zinc/17/38/87/1286173887.db2.gz CVKXDGNJNWXOEN-SECBINFHSA-N -1 3 353.364 0.549 20 5 FCBDHM O=[N+]([O-])c1ncccc1N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001593487757 1286175939 /nfs/dbraw/zinc/17/59/39/1286175939.db2.gz LCJRPBDQXIOMDP-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM O=[N+]([O-])c1ncccc1N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001593487757 1286175943 /nfs/dbraw/zinc/17/59/43/1286175943.db2.gz LCJRPBDQXIOMDP-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM O=[N+]([O-])c1ncccc1CN1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001593486923 1286175967 /nfs/dbraw/zinc/17/59/67/1286175967.db2.gz DAMGWKMNKAMMJI-UHFFFAOYSA-N -1 3 367.373 0.887 20 5 FCBDHM O=[N+]([O-])c1ncccc1CN1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001593486923 1286175971 /nfs/dbraw/zinc/17/59/71/1286175971.db2.gz DAMGWKMNKAMMJI-UHFFFAOYSA-N -1 3 367.373 0.887 20 5 FCBDHM O=[N+]([O-])c1cccnc1N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001593486797 1286176080 /nfs/dbraw/zinc/17/60/80/1286176080.db2.gz MPDLBOKGFHNSFS-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM O=[N+]([O-])c1cccnc1N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001593486797 1286176084 /nfs/dbraw/zinc/17/60/84/1286176084.db2.gz MPDLBOKGFHNSFS-UHFFFAOYSA-N -1 3 353.346 0.892 20 5 FCBDHM O=c1[nH]ccc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1[N+](=O)[O-] ZINC001593490015 1286177063 /nfs/dbraw/zinc/17/70/63/1286177063.db2.gz SRUNPZKFJHSIGH-UHFFFAOYSA-N -1 3 369.345 0.597 20 5 FCBDHM O=c1[nH]ccc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1[N+](=O)[O-] ZINC001593490015 1286177070 /nfs/dbraw/zinc/17/70/70/1286177070.db2.gz SRUNPZKFJHSIGH-UHFFFAOYSA-N -1 3 369.345 0.597 20 5 FCBDHM O=c1cc(N2CC[C@@H](Nc3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)nc[nH]1 ZINC001593495521 1286181457 /nfs/dbraw/zinc/18/14/57/1286181457.db2.gz GSGRYGNWVMEDQS-SECBINFHSA-N -1 3 369.345 0.961 20 5 FCBDHM COC(=O)[C@H]1[C@H](O)CCCN1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609295669 1289063662 /nfs/dbraw/zinc/06/36/62/1289063662.db2.gz KQKRBDUKMADHSI-CHWSQXEVSA-N -1 3 362.346 0.273 20 5 FCBDHM COC(=O)[C@H]1[C@H](O)CCCN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609295669 1289063668 /nfs/dbraw/zinc/06/36/68/1289063668.db2.gz KQKRBDUKMADHSI-CHWSQXEVSA-N -1 3 362.346 0.273 20 5 FCBDHM NC(=O)[C@H]1CCCN1C1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001601144579 1286651325 /nfs/dbraw/zinc/65/13/25/1286651325.db2.gz SLBPKPIWEPTZHW-GFCCVEGCSA-N -1 3 363.374 0.607 20 5 FCBDHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])N1C(=O)CCC1=O ZINC001603036951 1287194843 /nfs/dbraw/zinc/19/48/43/1287194843.db2.gz JDSHBEKWPSYPDP-QMMMGPOBSA-N -1 3 374.313 0.356 20 5 FCBDHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])N1C(=O)CCC1=O ZINC001603036951 1287194847 /nfs/dbraw/zinc/19/48/47/1287194847.db2.gz JDSHBEKWPSYPDP-QMMMGPOBSA-N -1 3 374.313 0.356 20 5 FCBDHM CNC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604885353 1287808250 /nfs/dbraw/zinc/80/82/50/1287808250.db2.gz UCAOGMRMNOVLCU-GFCCVEGCSA-N -1 3 360.378 0.668 20 5 FCBDHM CNC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604885353 1287808251 /nfs/dbraw/zinc/80/82/51/1287808251.db2.gz UCAOGMRMNOVLCU-GFCCVEGCSA-N -1 3 360.378 0.668 20 5 FCBDHM CNS(=O)(=O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001604894858 1287810150 /nfs/dbraw/zinc/81/01/50/1287810150.db2.gz TWHWCHTUVSQYFM-SNVBAGLBSA-N -1 3 367.391 0.293 20 5 FCBDHM CS(=O)(=O)[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001605353301 1287933949 /nfs/dbraw/zinc/93/39/49/1287933949.db2.gz YYOIUZABBQGQSG-VIFPVBQESA-N -1 3 353.364 0.183 20 5 FCBDHM CS(=O)(=O)[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001605353301 1287933954 /nfs/dbraw/zinc/93/39/54/1287933954.db2.gz YYOIUZABBQGQSG-VIFPVBQESA-N -1 3 353.364 0.183 20 5 FCBDHM CS(=O)(=O)[C@H]1CCN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001605352807 1287934446 /nfs/dbraw/zinc/93/44/46/1287934446.db2.gz LBRPCZWEILNQTE-VIFPVBQESA-N -1 3 352.376 0.394 20 5 FCBDHM CS(=O)(=O)[C@H]1CCN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001605352807 1287934450 /nfs/dbraw/zinc/93/44/50/1287934450.db2.gz LBRPCZWEILNQTE-VIFPVBQESA-N -1 3 352.376 0.394 20 5 FCBDHM CS(=O)(=O)NC1CC(Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001605357450 1287935200 /nfs/dbraw/zinc/93/52/00/1287935200.db2.gz AQDFBHIASPFZQE-UHFFFAOYSA-N -1 3 371.354 0.406 20 5 FCBDHM CS(=O)(=O)NC1CC(Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001605357450 1287935206 /nfs/dbraw/zinc/93/52/06/1287935206.db2.gz AQDFBHIASPFZQE-UHFFFAOYSA-N -1 3 371.354 0.406 20 5 FCBDHM CS(=O)(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001605357576 1287937617 /nfs/dbraw/zinc/93/76/17/1287937617.db2.gz QZVHADMLODQHHA-SECBINFHSA-N -1 3 353.364 0.221 20 5 FCBDHM Cc1cnc(NCCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c([N+](=O)[O-])c1 ZINC001605980548 1288118913 /nfs/dbraw/zinc/11/89/13/1288118913.db2.gz HQMBPXJAXXOSLY-UHFFFAOYSA-N -1 3 371.361 0.991 20 5 FCBDHM 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ZINC000737054756 598501859 /nfs/dbraw/zinc/50/18/59/598501859.db2.gz DALVFLRNNLOXIO-UHFFFAOYSA-N -1 3 355.318 0.531 20 5 FCBDHM COc1cc2c(nn1)CCN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000737054756 598501861 /nfs/dbraw/zinc/50/18/61/598501861.db2.gz DALVFLRNNLOXIO-UHFFFAOYSA-N -1 3 355.318 0.531 20 5 FCBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738085066 598588340 /nfs/dbraw/zinc/58/83/40/598588340.db2.gz DUUHJFFJCGBIBP-UHFFFAOYSA-N -1 3 355.314 0.979 20 5 FCBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738085066 598588342 /nfs/dbraw/zinc/58/83/42/598588342.db2.gz DUUHJFFJCGBIBP-UHFFFAOYSA-N -1 3 355.314 0.979 20 5 FCBDHM Cn1c(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)ccc1[N+](=O)[O-] ZINC000737592494 599299553 /nfs/dbraw/zinc/29/95/53/599299553.db2.gz NZOAQSAYYLWREB-UHFFFAOYSA-N -1 3 361.347 0.668 20 5 FCBDHM Cn1c(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)ccc1[N+](=O)[O-] ZINC000737592494 599299554 /nfs/dbraw/zinc/29/95/54/599299554.db2.gz 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C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824477585 607697496 /nfs/dbraw/zinc/69/74/96/607697496.db2.gz ACVVNBUVNJIHPO-JTQLQIEISA-N -1 3 369.341 0.814 20 5 FCBDHM C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824477585 607697498 /nfs/dbraw/zinc/69/74/98/607697498.db2.gz ACVVNBUVNJIHPO-JTQLQIEISA-N -1 3 369.341 0.814 20 5 FCBDHM O=C([O-])[C@@H](O)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000833770591 604976707 /nfs/dbraw/zinc/97/67/07/604976707.db2.gz JVIQXRIYFYFAIL-HIFRSBDPSA-N -1 3 354.359 0.492 20 5 FCBDHM C[C@@H]1CN(CCC(=O)[O-])CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000833628167 605392509 /nfs/dbraw/zinc/39/25/09/605392509.db2.gz CJVNFAXXIVJANI-KGLIPLIRSA-N -1 3 367.402 0.815 20 5 FCBDHM Cn1cc(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)cn1 ZINC000822685190 606046897 /nfs/dbraw/zinc/04/68/97/606046897.db2.gz UNSJCMNGMMJUBB-UHFFFAOYSA-N -1 3 355.362 0.835 20 5 FCBDHM Cn1cc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)cn1 ZINC000822685190 606046903 /nfs/dbraw/zinc/04/69/03/606046903.db2.gz UNSJCMNGMMJUBB-UHFFFAOYSA-N -1 3 355.362 0.835 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823118984 606270770 /nfs/dbraw/zinc/27/07/70/606270770.db2.gz YPKAPIGWODCNAJ-UHFFFAOYSA-N -1 3 359.277 0.714 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823118984 606270771 /nfs/dbraw/zinc/27/07/71/606270771.db2.gz YPKAPIGWODCNAJ-UHFFFAOYSA-N -1 3 359.277 0.714 20 5 FCBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCCn1cnc([N+](=O)[O-])n1 ZINC000822978762 606400002 /nfs/dbraw/zinc/40/00/02/606400002.db2.gz PTFAEOOIYGAGJF-UHFFFAOYSA-N -1 3 358.318 0.542 20 5 FCBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCCn1cnc([N+](=O)[O-])n1 ZINC000822978762 606400003 /nfs/dbraw/zinc/40/00/03/606400003.db2.gz PTFAEOOIYGAGJF-UHFFFAOYSA-N -1 3 358.318 0.542 20 5 FCBDHM CN(CCN1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821602496 606421337 /nfs/dbraw/zinc/42/13/37/606421337.db2.gz FJVFMMAUPAMKOV-UHFFFAOYSA-N -1 3 367.391 0.247 20 5 FCBDHM CN(CCN1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821602496 606421338 /nfs/dbraw/zinc/42/13/38/606421338.db2.gz FJVFMMAUPAMKOV-UHFFFAOYSA-N -1 3 367.391 0.247 20 5 FCBDHM CS(=O)(=O)N1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000821932353 606645035 /nfs/dbraw/zinc/64/50/35/606645035.db2.gz KVTRHQWEMNVQAA-UHFFFAOYSA-N -1 3 367.391 0.247 20 5 FCBDHM COC(=O)[C@@H](C)CS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821639351 606842821 /nfs/dbraw/zinc/84/28/21/606842821.db2.gz WHYJXECLIOPFIX-ZETCQYMHSA-N -1 3 371.331 0.293 20 5 FCBDHM COC(=O)[C@@H](C)CS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821639351 606842822 /nfs/dbraw/zinc/84/28/22/606842822.db2.gz WHYJXECLIOPFIX-ZETCQYMHSA-N -1 3 371.331 0.293 20 5 FCBDHM COC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(F)c(-c3nnn[n-]3)c2)c1=O ZINC000821668890 607008550 /nfs/dbraw/zinc/00/85/50/607008550.db2.gz NWVMIVYZYDJUQW-UHFFFAOYSA-N -1 3 374.288 0.911 20 5 FCBDHM COC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(F)c(-c3nn[n-]n3)c2)c1=O ZINC000821668890 607008552 /nfs/dbraw/zinc/00/85/52/607008552.db2.gz NWVMIVYZYDJUQW-UHFFFAOYSA-N -1 3 374.288 0.911 20 5 FCBDHM NC(=O)c1cc([N+](=O)[O-])cn(Cc2cc(F)ccc2-c2nnn[n-]2)c1=O ZINC000822879933 607040344 /nfs/dbraw/zinc/04/03/44/607040344.db2.gz JLTPAFBULVOPLH-UHFFFAOYSA-N -1 3 359.277 0.223 20 5 FCBDHM NC(=O)c1cc([N+](=O)[O-])cn(Cc2cc(F)ccc2-c2nn[n-]n2)c1=O ZINC000822879933 607040346 /nfs/dbraw/zinc/04/03/46/607040346.db2.gz JLTPAFBULVOPLH-UHFFFAOYSA-N -1 3 359.277 0.223 20 5 FCBDHM CC[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000820993717 607174316 /nfs/dbraw/zinc/17/43/16/607174316.db2.gz ARKYWOVSRGDOEV-DGCLKSJQSA-N -1 3 374.405 0.717 20 5 FCBDHM CC[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000820993717 607174317 /nfs/dbraw/zinc/17/43/17/607174317.db2.gz ARKYWOVSRGDOEV-DGCLKSJQSA-N -1 3 374.405 0.717 20 5 FCBDHM CS(=O)(=O)N1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826223701 607810101 /nfs/dbraw/zinc/81/01/01/607810101.db2.gz WPLKNJJGMWJQQO-MRVPVSSYSA-N -1 3 368.379 0.006 20 5 FCBDHM CS(=O)(=O)N1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826223701 607810102 /nfs/dbraw/zinc/81/01/02/607810102.db2.gz WPLKNJJGMWJQQO-MRVPVSSYSA-N -1 3 368.379 0.006 20 5 FCBDHM CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)O1 ZINC000825841602 608413583 /nfs/dbraw/zinc/41/35/83/608413583.db2.gz YEIZNYJJYIXSFT-GWCFXTLKSA-N -1 3 361.362 0.823 20 5 FCBDHM CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)O1 ZINC000825841602 608413584 /nfs/dbraw/zinc/41/35/84/608413584.db2.gz YEIZNYJJYIXSFT-GWCFXTLKSA-N -1 3 361.362 0.823 20 5 FCBDHM Cc1ccnc(N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000826312158 609527411 /nfs/dbraw/zinc/52/74/11/609527411.db2.gz XBXJAJVZAALUCO-JSGCOSHPSA-N -1 3 371.357 0.985 20 5 FCBDHM Cc1ccnc(N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000826312158 609527414 /nfs/dbraw/zinc/52/74/14/609527414.db2.gz XBXJAJVZAALUCO-JSGCOSHPSA-N -1 3 371.357 0.985 20 5 FCBDHM COC(=O)c1cc(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])c(C)o1 ZINC000754753532 667608798 /nfs/dbraw/zinc/60/87/98/667608798.db2.gz FSJPCBDASREBHP-UHFFFAOYSA-N -1 3 356.316 0.983 20 5 FCBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000759166957 667796315 /nfs/dbraw/zinc/79/63/15/667796315.db2.gz AAJYTFTUJNOMCC-UHFFFAOYSA-N -1 3 362.331 0.271 20 5 FCBDHM CS(=O)(=O)[N-]c1cc(C(=O)OCCn2cnc([N+](=O)[O-])n2)ccc1F ZINC000759416872 667805608 /nfs/dbraw/zinc/80/56/08/667805608.db2.gz NDETZBVUDNLQTC-UHFFFAOYSA-N -1 3 373.322 0.554 20 5 FCBDHM COCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)n[nH]1 ZINC000849437341 671344567 /nfs/dbraw/zinc/34/45/67/671344567.db2.gz FKNIIPQCFGJVQO-UHFFFAOYSA-N -1 3 359.339 0.785 20 5 FCBDHM C[C@]1([N-]C(=O)C(F)(F)F)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000879764566 673143603 /nfs/dbraw/zinc/14/36/03/673143603.db2.gz WUKCHPIYQZWBHU-ZDUSSCGKSA-N -1 3 362.308 0.899 20 5 FCBDHM CN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)c1ncccc1[O-] ZINC000988535955 1192265634 /nfs/dbraw/zinc/26/56/34/1192265634.db2.gz ZWLPHUBYTXKJST-CHWSQXEVSA-N -1 3 362.386 0.763 20 5 FCBDHM O=C(c1ncccc1[O-])N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001010651826 1213805981 /nfs/dbraw/zinc/80/59/81/1213805981.db2.gz CWBIUKLEZBLVNO-VXGBXAGGSA-N -1 3 360.370 0.517 20 5 FCBDHM Cn1c(-c2c[n-]c(=O)c([N+](=O)[O-])c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001516845182 1265575132 /nfs/dbraw/zinc/57/51/32/1265575132.db2.gz WMENGHAOJXAVIN-SNVBAGLBSA-N -1 3 359.346 0.302 20 5 FCBDHM CN(CCN1CCOCC1)c1nnc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1C ZINC001520049195 1265838092 /nfs/dbraw/zinc/83/80/92/1265838092.db2.gz ICXPFAUHGJHKFH-UHFFFAOYSA-N -1 3 363.378 0.259 20 5 FCBDHM CN(CC(=O)NCc1ccco1)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001579009688 1276582720 /nfs/dbraw/zinc/58/27/20/1276582720.db2.gz NCRGIZUOIPTWMR-UHFFFAOYSA-N -1 3 372.345 0.703 20 5 FCBDHM CN(CC(=O)NCc1ccco1)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001579009688 1276582729 /nfs/dbraw/zinc/58/27/29/1276582729.db2.gz NCRGIZUOIPTWMR-UHFFFAOYSA-N -1 3 372.345 0.703 20 5 FCBDHM CN(CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001579207752 1276998138 /nfs/dbraw/zinc/99/81/38/1276998138.db2.gz SLBQBEIESCXZEK-YABSGUDNSA-N -1 3 373.373 0.538 20 5 FCBDHM CN(CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001579207752 1276998140 /nfs/dbraw/zinc/99/81/40/1276998140.db2.gz SLBQBEIESCXZEK-YABSGUDNSA-N -1 3 373.373 0.538 20 5 FCBDHM CN1CCn2c(CNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)nnc2C1=O ZINC001579381589 1277258880 /nfs/dbraw/zinc/25/88/80/1277258880.db2.gz OWKIOSCGYKDYQN-UHFFFAOYSA-N -1 3 370.333 0.064 20 5 FCBDHM CN1CCn2c(CNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)nnc2C1=O ZINC001579381589 1277258885 /nfs/dbraw/zinc/25/88/85/1277258885.db2.gz OWKIOSCGYKDYQN-UHFFFAOYSA-N -1 3 370.333 0.064 20 5 FCBDHM COC(=O)[C@@]1(OC)CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001579439143 1277316067 /nfs/dbraw/zinc/31/60/67/1277316067.db2.gz FFNYSOOBNDVFDN-CQSZACIVSA-N -1 3 366.309 0.682 20 5 FCBDHM COC(=O)[C@@]1(OC)CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001579439143 1277316078 /nfs/dbraw/zinc/31/60/78/1277316078.db2.gz FFNYSOOBNDVFDN-CQSZACIVSA-N -1 3 366.309 0.682 20 5 FCBDHM Cc1cnc(N(C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC001581320865 1279682382 /nfs/dbraw/zinc/68/23/82/1279682382.db2.gz OQPSKFNVHIOACM-UHFFFAOYSA-N -1 3 371.361 0.673 20 5 FCBDHM Cc1cnc(N(C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC001581320865 1279682384 /nfs/dbraw/zinc/68/23/84/1279682384.db2.gz OQPSKFNVHIOACM-UHFFFAOYSA-N -1 3 371.361 0.673 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC3(CCNC3=O)CC2)c1-c1nnn[n-]1 ZINC001581909071 1280707677 /nfs/dbraw/zinc/70/76/77/1280707677.db2.gz OHLLTEUDKNISHR-UHFFFAOYSA-N -1 3 358.362 0.464 20 5 FCBDHM 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C[C@@H]1[C@H](C)N(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCS1(=O)=O ZINC001590167328 1283261050 /nfs/dbraw/zinc/26/10/50/1283261050.db2.gz MKGRIQAAYPUHOM-VHSXEESVSA-N -1 3 366.403 0.782 20 5 FCBDHM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590167023 1283261731 /nfs/dbraw/zinc/26/17/31/1283261731.db2.gz JSWGIMFRTLHKKU-UWVGGRQHSA-N -1 3 366.403 0.782 20 5 FCBDHM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590167023 1283261740 /nfs/dbraw/zinc/26/17/40/1283261740.db2.gz JSWGIMFRTLHKKU-UWVGGRQHSA-N -1 3 366.403 0.782 20 5 FCBDHM CCOC(=O)[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC12COC2 ZINC001590759508 1283819997 /nfs/dbraw/zinc/81/99/97/1283819997.db2.gz GONDRLRKLHFXHI-LLVKDONJSA-N -1 3 374.357 0.791 20 5 FCBDHM CCOC(=O)[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC12COC2 ZINC001590759508 1283820006 /nfs/dbraw/zinc/82/00/06/1283820006.db2.gz GONDRLRKLHFXHI-LLVKDONJSA-N -1 3 374.357 0.791 20 5 FCBDHM CN(CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)c1cnnn1C ZINC001591105292 1284177675 /nfs/dbraw/zinc/17/76/75/1284177675.db2.gz CYALOOMZNWGKNX-UHFFFAOYSA-N -1 3 372.349 0.088 20 5 FCBDHM CN(CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)c1cnnn1C ZINC001591105292 1284177676 /nfs/dbraw/zinc/17/76/76/1284177676.db2.gz CYALOOMZNWGKNX-UHFFFAOYSA-N -1 3 372.349 0.088 20 5 FCBDHM CN(CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)c1cnccn1 ZINC001591105305 1284178103 /nfs/dbraw/zinc/17/81/03/1284178103.db2.gz FOOUCPWIAMKEGK-UHFFFAOYSA-N -1 3 369.345 0.749 20 5 FCBDHM CN(CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)c1cnccn1 ZINC001591105305 1284178108 /nfs/dbraw/zinc/17/81/08/1284178108.db2.gz FOOUCPWIAMKEGK-UHFFFAOYSA-N -1 3 369.345 0.749 20 5 FCBDHM CNC(=O)N[C@@H]1CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591209760 1284338964 /nfs/dbraw/zinc/33/89/64/1284338964.db2.gz HWGUYTAUUHYRHG-MRVPVSSYSA-N -1 3 364.341 0.812 20 5 FCBDHM CNC(=O)N[C@@H]1CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591209760 1284338970 /nfs/dbraw/zinc/33/89/70/1284338970.db2.gz HWGUYTAUUHYRHG-MRVPVSSYSA-N -1 3 364.341 0.812 20 5 FCBDHM COC(=O)[C@H](NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccnn1C ZINC001591235684 1284381755 /nfs/dbraw/zinc/38/17/55/1284381755.db2.gz VVFIPFPSYBXZPG-CYBMUJFWSA-N -1 3 372.345 0.512 20 5 FCBDHM COC(=O)[C@H](NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccnn1C ZINC001591235684 1284381762 /nfs/dbraw/zinc/38/17/62/1284381762.db2.gz VVFIPFPSYBXZPG-CYBMUJFWSA-N -1 3 372.345 0.512 20 5 FCBDHM COC(=O)[C@@H]1CC12CCN(c1ncc(-c3nnn[n-]3)cc1[N+](=O)[O-])CC2 ZINC001591249347 1284402902 /nfs/dbraw/zinc/40/29/02/1284402902.db2.gz WLSMSENQYVMFJO-JTQLQIEISA-N -1 3 359.346 0.949 20 5 FCBDHM COC(=O)[C@@H]1CC12CCN(c1ncc(-c3nn[n-]n3)cc1[N+](=O)[O-])CC2 ZINC001591249347 1284402907 /nfs/dbraw/zinc/40/29/07/1284402907.db2.gz WLSMSENQYVMFJO-JTQLQIEISA-N -1 3 359.346 0.949 20 5 FCBDHM COC(=O)[C@@H]1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001591254707 1284411765 /nfs/dbraw/zinc/41/17/65/1284411765.db2.gz KTHZVOMBMJHUAA-NSHDSACASA-N -1 3 352.282 0.292 20 5 FCBDHM COC(=O)[C@@H]1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001591254707 1284411768 /nfs/dbraw/zinc/41/17/68/1284411768.db2.gz KTHZVOMBMJHUAA-NSHDSACASA-N -1 3 352.282 0.292 20 5 FCBDHM COC(=O)[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001591278504 1284435584 /nfs/dbraw/zinc/43/55/84/1284435584.db2.gz VARCDLZNGVXIBF-ZANVPECISA-N -1 3 362.346 0.537 20 5 FCBDHM COC(=O)[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001591278504 1284435586 /nfs/dbraw/zinc/43/55/86/1284435586.db2.gz VARCDLZNGVXIBF-ZANVPECISA-N -1 3 362.346 0.537 20 5 FCBDHM COCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591365561 1284504396 /nfs/dbraw/zinc/50/43/96/1284504396.db2.gz ZWTDJYLNUPRLAI-TXEJJXNPSA-N -1 3 373.373 0.601 20 5 FCBDHM COCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591365561 1284504404 /nfs/dbraw/zinc/50/44/04/1284504404.db2.gz ZWTDJYLNUPRLAI-TXEJJXNPSA-N -1 3 373.373 0.601 20 5 FCBDHM COC[C@H](C)OC[C@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591375046 1284510693 /nfs/dbraw/zinc/51/06/93/1284510693.db2.gz ITALECZKNUBZBX-ONGXEEELSA-N -1 3 353.335 0.566 20 5 FCBDHM COC[C@H](C)OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591375046 1284510698 /nfs/dbraw/zinc/51/06/98/1284510698.db2.gz ITALECZKNUBZBX-ONGXEEELSA-N -1 3 353.335 0.566 20 5 FCBDHM C[S@@](=N)(=O)N1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591670660 1284801439 /nfs/dbraw/zinc/80/14/39/1284801439.db2.gz BOQSUTDTFJMCKJ-DEOSSOPVSA-N -1 3 352.380 0.488 20 5 FCBDHM C[S@@](=N)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591670660 1284801451 /nfs/dbraw/zinc/80/14/51/1284801451.db2.gz BOQSUTDTFJMCKJ-DEOSSOPVSA-N -1 3 352.380 0.488 20 5 FCBDHM CS(=O)(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591677824 1284815490 /nfs/dbraw/zinc/81/54/90/1284815490.db2.gz AZLFASHVCXNHRY-VIFPVBQESA-N -1 3 367.391 0.293 20 5 FCBDHM CS(=O)(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591677824 1284815494 /nfs/dbraw/zinc/81/54/94/1284815494.db2.gz AZLFASHVCXNHRY-VIFPVBQESA-N -1 3 367.391 0.293 20 5 FCBDHM CS(=O)(=O)NC1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001591679174 1284819008 /nfs/dbraw/zinc/81/90/08/1284819008.db2.gz UOCRASIHFMVJOG-UHFFFAOYSA-N -1 3 367.391 0.293 20 5 FCBDHM CS(=O)(=O)NC1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001591679174 1284819015 /nfs/dbraw/zinc/81/90/15/1284819015.db2.gz UOCRASIHFMVJOG-UHFFFAOYSA-N -1 3 367.391 0.293 20 5 FCBDHM CS(=O)(=O)N[C@H]1CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591679087 1284819728 /nfs/dbraw/zinc/81/97/28/1284819728.db2.gz RLPILTTYAFTFLI-JTQLQIEISA-N -1 3 367.391 0.293 20 5 FCBDHM CS(=O)(=O)N[C@H]1CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591679087 1284819740 /nfs/dbraw/zinc/81/97/40/1284819740.db2.gz RLPILTTYAFTFLI-JTQLQIEISA-N -1 3 367.391 0.293 20 5 FCBDHM Cc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)on1 ZINC001591927922 1285014312 /nfs/dbraw/zinc/01/43/12/1285014312.db2.gz XMWCCFFQJRAHBT-UHFFFAOYSA-N -1 3 358.318 0.913 20 5 FCBDHM Cc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)on1 ZINC001591927922 1285014316 /nfs/dbraw/zinc/01/43/16/1285014316.db2.gz XMWCCFFQJRAHBT-UHFFFAOYSA-N -1 3 358.318 0.913 20 5 FCBDHM Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001592198083 1285180838 /nfs/dbraw/zinc/18/08/38/1285180838.db2.gz WRWWRGIGFBTECC-UHFFFAOYSA-N -1 3 357.334 0.648 20 5 FCBDHM Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001592198083 1285180841 /nfs/dbraw/zinc/18/08/41/1285180841.db2.gz WRWWRGIGFBTECC-UHFFFAOYSA-N -1 3 357.334 0.648 20 5 FCBDHM Cc1cnn(C)c1C(=O)NCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592301890 1285223141 /nfs/dbraw/zinc/22/31/41/1285223141.db2.gz CNUXMODVEUUMBC-UHFFFAOYSA-N -1 3 371.361 0.659 20 5 FCBDHM Cc1cnn(C)c1C(=O)NCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592301890 1285223143 /nfs/dbraw/zinc/22/31/43/1285223143.db2.gz CNUXMODVEUUMBC-UHFFFAOYSA-N -1 3 371.361 0.659 20 5 FCBDHM Cc1nc(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC001592328467 1285236563 /nfs/dbraw/zinc/23/65/63/1285236563.db2.gz VAFRVVSECFBKRM-UHFFFAOYSA-N -1 3 356.350 0.528 20 5 FCBDHM Cc1nc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC001592328467 1285236573 /nfs/dbraw/zinc/23/65/73/1285236573.db2.gz VAFRVVSECFBKRM-UHFFFAOYSA-N -1 3 356.350 0.528 20 5 FCBDHM Cn1cc(C[C@@H](CO)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001592571164 1285486791 /nfs/dbraw/zinc/48/67/91/1285486791.db2.gz QLXTYZAUGDONBI-LLVKDONJSA-N -1 3 358.362 0.772 20 5 FCBDHM Cn1cc(C[C@@H](CO)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001592571164 1285486798 /nfs/dbraw/zinc/48/67/98/1285486798.db2.gz QLXTYZAUGDONBI-LLVKDONJSA-N -1 3 358.362 0.772 20 5 FCBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc2n(c1-c1nnn[n-]1)CCOC2 ZINC001592577551 1285496911 /nfs/dbraw/zinc/49/69/11/1285496911.db2.gz HAJLCLFNELPIIG-UHFFFAOYSA-N -1 3 359.306 0.092 20 5 FCBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc2n(c1-c1nn[n-]n1)CCOC2 ZINC001592577551 1285496915 /nfs/dbraw/zinc/49/69/15/1285496915.db2.gz HAJLCLFNELPIIG-UHFFFAOYSA-N -1 3 359.306 0.092 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC[C@H](C(=O)NC3CC3)C2)c1-c1nnn[n-]1 ZINC001592756732 1285679187 /nfs/dbraw/zinc/67/91/87/1285679187.db2.gz LLWVFVWJWKPLGM-VIFPVBQESA-N -1 3 372.389 0.852 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC[C@H](C(=O)NC3CC3)C2)c1-c1nn[n-]n1 ZINC001592756732 1285679197 /nfs/dbraw/zinc/67/91/97/1285679197.db2.gz LLWVFVWJWKPLGM-VIFPVBQESA-N -1 3 372.389 0.852 20 5 FCBDHM Nc1ncc(C(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)cc1[N+](=O)[O-] ZINC001592763192 1285684315 /nfs/dbraw/zinc/68/43/15/1285684315.db2.gz TWVAZVIQHVSWKR-UHFFFAOYSA-N -1 3 352.314 0.908 20 5 FCBDHM Nc1ncc(C(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)cc1[N+](=O)[O-] ZINC001592763192 1285684318 /nfs/dbraw/zinc/68/43/18/1285684318.db2.gz TWVAZVIQHVSWKR-UHFFFAOYSA-N -1 3 352.314 0.908 20 5 FCBDHM O=C(COCC1CC1)NCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592887317 1285793470 /nfs/dbraw/zinc/79/34/70/1285793470.db2.gz ZKZXPXZDQRVDTB-UHFFFAOYSA-N -1 3 361.362 0.730 20 5 FCBDHM O=C(COCC1CC1)NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592887317 1285793479 /nfs/dbraw/zinc/79/34/79/1285793479.db2.gz ZKZXPXZDQRVDTB-UHFFFAOYSA-N -1 3 361.362 0.730 20 5 FCBDHM O=C(COCC1CC1)NCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592887296 1285793812 /nfs/dbraw/zinc/79/38/12/1285793812.db2.gz VMGNJOGUDPSHPF-UHFFFAOYSA-N -1 3 361.362 0.730 20 5 FCBDHM O=C(COCC1CC1)NCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592887296 1285793816 /nfs/dbraw/zinc/79/38/16/1285793816.db2.gz VMGNJOGUDPSHPF-UHFFFAOYSA-N -1 3 361.362 0.730 20 5 FCBDHM O=C(NC1CC1)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001592967500 1285850753 /nfs/dbraw/zinc/85/07/53/1285850753.db2.gz PGYHESJBLUBXKH-ZDUSSCGKSA-N -1 3 372.389 0.811 20 5 FCBDHM O=C(NC1CC1)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001592967500 1285850781 /nfs/dbraw/zinc/85/07/81/1285850781.db2.gz PGYHESJBLUBXKH-ZDUSSCGKSA-N -1 3 372.389 0.811 20 5 FCBDHM O=C(NC1CC1)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001592967742 1285851185 /nfs/dbraw/zinc/85/11/85/1285851185.db2.gz RTJZXTLKDVNPFS-NSHDSACASA-N -1 3 358.362 0.815 20 5 FCBDHM O=C(NC1CC1)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001592967742 1285851196 /nfs/dbraw/zinc/85/11/96/1285851196.db2.gz RTJZXTLKDVNPFS-NSHDSACASA-N -1 3 358.362 0.815 20 5 FCBDHM O=C(NCC1CC1)[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001593026804 1285911048 /nfs/dbraw/zinc/91/10/48/1285911048.db2.gz ASSGRLJQQKFNEV-LLVKDONJSA-N -1 3 372.389 0.913 20 5 FCBDHM O=C(NCC1CC1)[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001593026804 1285911053 /nfs/dbraw/zinc/91/10/53/1285911053.db2.gz ASSGRLJQQKFNEV-LLVKDONJSA-N -1 3 372.389 0.913 20 5 FCBDHM O=C(NC/C=C\CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1cn[nH]c1 ZINC001593053476 1285947303 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GMRPNRSWBUOFNJ-UHFFFAOYSA-N -1 3 371.279 0.986 20 5 FCBDHM O=C1NCCC2(CCN(c3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)O1 ZINC001593403860 1286124576 /nfs/dbraw/zinc/12/45/76/1286124576.db2.gz DEAJQOLSYNQDRI-UHFFFAOYSA-N -1 3 360.334 0.639 20 5 FCBDHM O=C1NCCC2(CCN(c3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)O1 ZINC001593403860 1286124585 /nfs/dbraw/zinc/12/45/85/1286124585.db2.gz DEAJQOLSYNQDRI-UHFFFAOYSA-N -1 3 360.334 0.639 20 5 FCBDHM O=C1NCCN1[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001593408074 1286130094 /nfs/dbraw/zinc/13/00/94/1286130094.db2.gz QXVVVSLVIYOTBH-SNVBAGLBSA-N -1 3 359.350 0.164 20 5 FCBDHM O=C1NCCN1[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001593408074 1286130098 /nfs/dbraw/zinc/13/00/98/1286130098.db2.gz QXVVVSLVIYOTBH-SNVBAGLBSA-N -1 3 359.350 0.164 20 5 FCBDHM O=C1NCCN1[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001593407850 1286130558 /nfs/dbraw/zinc/13/05/58/1286130558.db2.gz QXVVVSLVIYOTBH-JTQLQIEISA-N -1 3 359.350 0.164 20 5 FCBDHM 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CC(C)NC(=O)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594743500 547003686 /nfs/dbraw/zinc/00/36/86/547003686.db2.gz FKFQPNOCFRDEDV-UHFFFAOYSA-N -1 3 352.372 0.946 20 5 FCBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CO)[C@H]1CCCOC1 ZINC000594783339 547010671 /nfs/dbraw/zinc/01/06/71/547010671.db2.gz DDPVXLGCXOYXKX-WDEREUQCSA-N -1 3 360.388 0.669 20 5 FCBDHM CC(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000552134867 547362506 /nfs/dbraw/zinc/36/25/06/547362506.db2.gz KOGZMDTWDXTRBP-NSHDSACASA-N -1 3 355.376 0.983 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1(O)CCS(=O)(=O)CC1 ZINC000738357134 599050142 /nfs/dbraw/zinc/05/01/42/599050142.db2.gz CINKXLYHSQXREJ-UHFFFAOYSA-N -1 3 368.375 0.127 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1(O)CCS(=O)(=O)CC1 ZINC000738357134 599050145 /nfs/dbraw/zinc/05/01/45/599050145.db2.gz CINKXLYHSQXREJ-UHFFFAOYSA-N -1 3 368.375 0.127 20 5 FCBDHM Cn1cc([N+](=O)[O-])cc1C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737609771 599118665 /nfs/dbraw/zinc/11/86/65/599118665.db2.gz IXKJJZSAODDHQB-LBPRGKRZSA-N -1 3 371.313 0.497 20 5 FCBDHM Cn1cc([N+](=O)[O-])cc1C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737609771 599118668 /nfs/dbraw/zinc/11/86/68/599118668.db2.gz IXKJJZSAODDHQB-LBPRGKRZSA-N -1 3 371.313 0.497 20 5 FCBDHM C[S@@](=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737174626 599118191 /nfs/dbraw/zinc/11/81/91/599118191.db2.gz WIDRLSXVFGTJBB-RUZDIDTESA-N -1 3 365.419 0.275 20 5 FCBDHM C[S@@](=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737174626 599118194 /nfs/dbraw/zinc/11/81/94/599118194.db2.gz WIDRLSXVFGTJBB-RUZDIDTESA-N -1 3 365.419 0.275 20 5 FCBDHM CN(C)CCN(CC(=O)[O-])C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000820538926 598161054 /nfs/dbraw/zinc/16/10/54/598161054.db2.gz ATSGFFYYYOIMOL-UHFFFAOYSA-N -1 3 353.360 0.688 20 5 FCBDHM O=[N+]([O-])c1cnc(NCCCN2CCCS2(=O)=O)c(-c2nnn[n-]2)c1 ZINC000738373825 598248873 /nfs/dbraw/zinc/24/88/73/598248873.db2.gz 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ZINC000822864667 599529800 /nfs/dbraw/zinc/52/98/00/599529800.db2.gz HSMCPMDAFQLQIS-MRVPVSSYSA-N -1 3 354.330 0.635 20 5 FCBDHM CCn1cc(S(=O)(=O)Oc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])n1 ZINC000821566495 607445162 /nfs/dbraw/zinc/44/51/62/607445162.db2.gz HFWCBEVQVXEHAT-UHFFFAOYSA-N -1 3 365.331 0.759 20 5 FCBDHM CCn1cc(S(=O)(=O)Oc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])n1 ZINC000821566495 607445163 /nfs/dbraw/zinc/44/51/63/607445163.db2.gz HFWCBEVQVXEHAT-UHFFFAOYSA-N -1 3 365.331 0.759 20 5 FCBDHM O=C([O-])C1CC[NH+](CCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000833191582 600711306 /nfs/dbraw/zinc/71/13/06/600711306.db2.gz NIDCJWIYENZGNN-UHFFFAOYSA-N -1 3 372.403 0.455 20 5 FCBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000820775885 606226890 /nfs/dbraw/zinc/22/68/90/606226890.db2.gz JQTQNJNMMDIYSK-XHDPSFHLSA-N -1 3 359.390 0.932 20 5 FCBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000820775885 606226891 /nfs/dbraw/zinc/22/68/91/606226891.db2.gz 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ODEVAGZHKJABER-UHFFFAOYSA-N -1 3 353.360 0.335 20 5 FCBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1 ZINC000619472812 492264438 /nfs/dbraw/zinc/26/44/38/492264438.db2.gz FUWZAVBSVMSFMR-QMMMGPOBSA-N -1 3 350.374 0.069 20 5 FCBDHM CC1(O)CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000619878076 492281377 /nfs/dbraw/zinc/28/13/77/492281377.db2.gz JQXVULLLTLZBIS-UHFFFAOYSA-N -1 3 357.388 0.247 20 5 FCBDHM O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2CCS(=O)(=O)[N-]2)n1 ZINC000593296592 546965748 /nfs/dbraw/zinc/96/57/48/546965748.db2.gz YJDQNOKCZUQCAB-JTQLQIEISA-N -1 3 353.360 0.997 20 5 FCBDHM Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593548595 546974307 /nfs/dbraw/zinc/97/43/07/546974307.db2.gz PLTHTSZZAAPEPU-UHFFFAOYSA-N -1 3 368.371 0.990 20 5 FCBDHM COCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CC2 ZINC000593563028 546975995 /nfs/dbraw/zinc/97/59/95/546975995.db2.gz KHKQSESBJFBOLB-SECBINFHSA-N -1 3 368.375 0.021 20 5 FCBDHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)CO ZINC000593603790 546983312 /nfs/dbraw/zinc/98/33/12/546983312.db2.gz YIEXRVIKGAGHGV-GFCCVEGCSA-N -1 3 369.403 0.761 20 5 FCBDHM CCN1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000593641273 546985521 /nfs/dbraw/zinc/98/55/21/546985521.db2.gz LSEQFCOOKSZYRK-SNVBAGLBSA-N -1 3 357.388 0.750 20 5 FCBDHM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594744985 547004086 /nfs/dbraw/zinc/00/40/86/547004086.db2.gz QOLYFINYJIIWGN-VIFPVBQESA-N -1 3 352.372 0.946 20 5 FCBDHM C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594771449 547008647 /nfs/dbraw/zinc/00/86/47/547008647.db2.gz SXXQOMAVKUAWBS-ZUZCIYMTSA-N -1 3 367.383 0.961 20 5 FCBDHM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1cc([N+](=O)[O-])n[nH]1 ZINC000552397477 547326042 /nfs/dbraw/zinc/32/60/42/547326042.db2.gz DVNKSVLMQOBKBP-UHFFFAOYSA-N -1 3 367.343 0.816 20 5 FCBDHM CN(C)S(=O)(=O)c1cc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])ccc1F ZINC000553061385 547328187 /nfs/dbraw/zinc/32/81/87/547328187.db2.gz AMWMITAPJSKXKI-UHFFFAOYSA-N -1 3 357.323 0.960 20 5 FCBDHM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737160756 598975127 /nfs/dbraw/zinc/97/51/27/598975127.db2.gz DIGYOHMRYKGFHO-WCBMZHEXSA-N -1 3 367.391 0.938 20 5 FCBDHM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737160756 598975129 /nfs/dbraw/zinc/97/51/29/598975129.db2.gz DIGYOHMRYKGFHO-WCBMZHEXSA-N -1 3 367.391 0.938 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CC[C@H](CN3CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823647589 599051329 /nfs/dbraw/zinc/05/13/29/599051329.db2.gz MUFNAVCBYMWGKF-LLVKDONJSA-N -1 3 360.378 0.328 20 5 FCBDHM COCCN(C(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988294 599205841 /nfs/dbraw/zinc/20/58/41/599205841.db2.gz KCENIBJGCLFYJK-UHFFFAOYSA-N -1 3 372.345 0.651 20 5 FCBDHM COCCN(C(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988294 599205842 /nfs/dbraw/zinc/20/58/42/599205842.db2.gz KCENIBJGCLFYJK-UHFFFAOYSA-N -1 3 372.345 0.651 20 5 FCBDHM Cc1cccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1[N+](=O)[O-] ZINC000737386254 598293446 /nfs/dbraw/zinc/29/34/46/598293446.db2.gz XLTYLGFDYJXLQM-UHFFFAOYSA-N -1 3 358.318 0.719 20 5 FCBDHM Cc1cccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1[N+](=O)[O-] ZINC000737386254 598293447 /nfs/dbraw/zinc/29/34/47/598293447.db2.gz XLTYLGFDYJXLQM-UHFFFAOYSA-N -1 3 358.318 0.719 20 5 FCBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000737283028 598295084 /nfs/dbraw/zinc/29/50/84/598295084.db2.gz MPVKBDWCLHWFOE-UHFFFAOYSA-N -1 3 358.318 0.719 20 5 FCBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000737283028 598295086 /nfs/dbraw/zinc/29/50/86/598295086.db2.gz MPVKBDWCLHWFOE-UHFFFAOYSA-N -1 3 358.318 0.719 20 5 FCBDHM COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000736951826 598644483 /nfs/dbraw/zinc/64/44/83/598644483.db2.gz UGTFKSAQHRBMGN-UHFFFAOYSA-N -1 3 374.288 0.911 20 5 FCBDHM COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000736951826 598644485 /nfs/dbraw/zinc/64/44/85/598644485.db2.gz UGTFKSAQHRBMGN-UHFFFAOYSA-N -1 3 374.288 0.911 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826424492 607363513 /nfs/dbraw/zinc/36/35/13/607363513.db2.gz OOSFRQITVPXHBZ-UHFFFAOYSA-N -1 3 357.286 0.398 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826424492 607363515 /nfs/dbraw/zinc/36/35/15/607363515.db2.gz OOSFRQITVPXHBZ-UHFFFAOYSA-N -1 3 357.286 0.398 20 5 FCBDHM O=C1NC(=O)[C@]2(CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])N1 ZINC000823540458 599685995 /nfs/dbraw/zinc/68/59/95/599685995.db2.gz FMEVGRMYZSHNHI-RFAUZJTJSA-N -1 3 372.345 0.565 20 5 FCBDHM NC(=O)C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCOCC1 ZINC000822865053 607493289 /nfs/dbraw/zinc/49/32/89/607493289.db2.gz TZUSZEWLJWXZTJ-GFCCVEGCSA-N -1 3 361.362 0.857 20 5 FCBDHM NC(=O)C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCOCC1 ZINC000822865053 607493291 /nfs/dbraw/zinc/49/32/91/607493291.db2.gz TZUSZEWLJWXZTJ-GFCCVEGCSA-N -1 3 361.362 0.857 20 5 FCBDHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)S(C)(=O)=O ZINC000824045125 607522391 /nfs/dbraw/zinc/52/23/91/607522391.db2.gz GVKJIBWUDSKYML-YFKPBYRVSA-N -1 3 374.766 0.800 20 5 FCBDHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)S(C)(=O)=O ZINC000824045125 607522392 /nfs/dbraw/zinc/52/23/92/607522392.db2.gz GVKJIBWUDSKYML-YFKPBYRVSA-N -1 3 374.766 0.800 20 5 FCBDHM COc1ccc(CNC2(C(=O)[O-])CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000832342602 604438560 /nfs/dbraw/zinc/43/85/60/604438560.db2.gz WYUSRAIHSNTWJU-UHFFFAOYSA-N -1 3 358.372 0.725 20 5 FCBDHM O=C(COc1ccccc1-c1nnn[n-]1)OCCn1cc([N+](=O)[O-])cn1 ZINC000823055606 606225884 /nfs/dbraw/zinc/22/58/84/606225884.db2.gz SIHXGOCWEIOIBP-UHFFFAOYSA-N -1 3 359.302 0.594 20 5 FCBDHM O=C(COc1ccccc1-c1nn[n-]n1)OCCn1cc([N+](=O)[O-])cn1 ZINC000823055606 606225885 /nfs/dbraw/zinc/22/58/85/606225885.db2.gz SIHXGOCWEIOIBP-UHFFFAOYSA-N -1 3 359.302 0.594 20 5 FCBDHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000823022951 606235465 /nfs/dbraw/zinc/23/54/65/606235465.db2.gz RSIJKGGVIOTKTA-UHFFFAOYSA-N -1 3 357.286 0.899 20 5 FCBDHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000823022951 606235466 /nfs/dbraw/zinc/23/54/66/606235466.db2.gz RSIJKGGVIOTKTA-UHFFFAOYSA-N -1 3 357.286 0.899 20 5 FCBDHM COCCN(CCC(=O)OC)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821690055 606240424 /nfs/dbraw/zinc/24/04/24/606240424.db2.gz XIMHAPLGWNHOBB-UHFFFAOYSA-N -1 3 350.335 0.791 20 5 FCBDHM COCCN(CCC(=O)OC)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821690055 606240425 /nfs/dbraw/zinc/24/04/25/606240425.db2.gz XIMHAPLGWNHOBB-UHFFFAOYSA-N -1 3 350.335 0.791 20 5 FCBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000822659461 606384943 /nfs/dbraw/zinc/38/49/43/606384943.db2.gz LOEWIVXLLXBTJY-UHFFFAOYSA-N -1 3 371.313 0.909 20 5 FCBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000822659461 606384944 /nfs/dbraw/zinc/38/49/44/606384944.db2.gz LOEWIVXLLXBTJY-UHFFFAOYSA-N -1 3 371.313 0.909 20 5 FCBDHM O=C([C@@H]1CCCO1)N1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000822916820 606644417 /nfs/dbraw/zinc/64/44/17/606644417.db2.gz FELFDVOVWUGZCB-AWEZNQCLSA-N -1 3 373.373 0.603 20 5 FCBDHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cn1 ZINC000823206181 606800680 /nfs/dbraw/zinc/80/06/80/606800680.db2.gz NALWMOUQMAIQPR-UHFFFAOYSA-N -1 3 355.318 0.407 20 5 FCBDHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cn1 ZINC000823206181 606800681 /nfs/dbraw/zinc/80/06/81/606800681.db2.gz NALWMOUQMAIQPR-UHFFFAOYSA-N -1 3 355.318 0.407 20 5 FCBDHM COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000821668681 607039713 /nfs/dbraw/zinc/03/97/13/607039713.db2.gz DIWKNOYRWAXHRC-UHFFFAOYSA-N -1 3 374.288 0.911 20 5 FCBDHM COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000821668681 607039715 /nfs/dbraw/zinc/03/97/15/607039715.db2.gz DIWKNOYRWAXHRC-UHFFFAOYSA-N -1 3 374.288 0.911 20 5 FCBDHM COC(=O)[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644675 607171845 /nfs/dbraw/zinc/17/18/45/607171845.db2.gz GCTWJDHDDYOWFA-CYBMUJFWSA-N -1 3 372.345 0.475 20 5 FCBDHM COC(=O)[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644675 607171846 /nfs/dbraw/zinc/17/18/46/607171846.db2.gz GCTWJDHDDYOWFA-CYBMUJFWSA-N -1 3 372.345 0.475 20 5 FCBDHM CC[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000820993719 607174235 /nfs/dbraw/zinc/17/42/35/607174235.db2.gz ARKYWOVSRGDOEV-YPMHNXCESA-N -1 3 374.405 0.717 20 5 FCBDHM CC[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000820993719 607174236 /nfs/dbraw/zinc/17/42/36/607174236.db2.gz ARKYWOVSRGDOEV-YPMHNXCESA-N -1 3 374.405 0.717 20 5 FCBDHM CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000820994183 607174496 /nfs/dbraw/zinc/17/44/96/607174496.db2.gz FVGJCIZKNOERMQ-SMDDNHRTSA-N -1 3 374.405 0.717 20 5 FCBDHM CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000820994183 607174497 /nfs/dbraw/zinc/17/44/97/607174497.db2.gz FVGJCIZKNOERMQ-SMDDNHRTSA-N -1 3 374.405 0.717 20 5 FCBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000820525166 607178284 /nfs/dbraw/zinc/17/82/84/607178284.db2.gz DINGZVSZRVDDHV-SNVBAGLBSA-N -1 3 372.345 0.555 20 5 FCBDHM O=[N+]([O-])c1cc(N2CCO[C@H](Cn3cccn3)C2)ccc1-c1nnn[n-]1 ZINC000826498524 607842387 /nfs/dbraw/zinc/84/23/87/607842387.db2.gz YTMXEPSYWVHZLO-LBPRGKRZSA-N -1 3 356.346 0.877 20 5 FCBDHM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826464096 608057945 /nfs/dbraw/zinc/05/79/45/608057945.db2.gz IONGNCBXKVBTNJ-UHFFFAOYSA-N -1 3 356.298 0.794 20 5 FCBDHM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464096 608057946 /nfs/dbraw/zinc/05/79/46/608057946.db2.gz IONGNCBXKVBTNJ-UHFFFAOYSA-N -1 3 356.298 0.794 20 5 FCBDHM C[C@H]1C(=O)NCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824860731 608380941 /nfs/dbraw/zinc/38/09/41/608380941.db2.gz XLDNOTUTVIUNQW-QMMMGPOBSA-N -1 3 354.330 0.648 20 5 FCBDHM C[C@H]1C(=O)NCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824860731 608380942 /nfs/dbraw/zinc/38/09/42/608380942.db2.gz XLDNOTUTVIUNQW-QMMMGPOBSA-N -1 3 354.330 0.648 20 5 FCBDHM NS(=O)(=O)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826394453 608541564 /nfs/dbraw/zinc/54/15/64/608541564.db2.gz KPXGGVTXSPJONV-VIFPVBQESA-N -1 3 353.364 0.032 20 5 FCBDHM NS(=O)(=O)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826394453 608541565 /nfs/dbraw/zinc/54/15/65/608541565.db2.gz KPXGGVTXSPJONV-VIFPVBQESA-N -1 3 353.364 0.032 20 5 FCBDHM Cc1ccnc(N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000826312159 609527370 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370.366 0.785 20 5 FCBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])[C@H](C)CN1CCO ZINC001590312863 1283457900 /nfs/dbraw/zinc/45/79/00/1283457900.db2.gz LBPROMQGJCHYOM-RKDXNWHRSA-N -1 3 353.408 0.728 20 5 FCBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])[C@H](C)CN1CCO ZINC001590312863 1283457903 /nfs/dbraw/zinc/45/79/03/1283457903.db2.gz LBPROMQGJCHYOM-RKDXNWHRSA-N -1 3 353.408 0.728 20 5 FCBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC001590312771 1283458168 /nfs/dbraw/zinc/45/81/68/1283458168.db2.gz QUBRIYBSQQVOFP-RKDXNWHRSA-N -1 3 352.376 0.787 20 5 FCBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC001590312771 1283458175 /nfs/dbraw/zinc/45/81/75/1283458175.db2.gz QUBRIYBSQQVOFP-RKDXNWHRSA-N -1 3 352.376 0.787 20 5 FCBDHM C[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC001590316522 1283461058 /nfs/dbraw/zinc/46/10/58/1283461058.db2.gz NJCRVIBPWXLMIO-JTQLQIEISA-N -1 3 361.362 0.944 20 5 FCBDHM C[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC001590316522 1283461064 /nfs/dbraw/zinc/46/10/64/1283461064.db2.gz NJCRVIBPWXLMIO-JTQLQIEISA-N -1 3 361.362 0.944 20 5 FCBDHM C[C@@H]1CS(=O)(=O)CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590328007 1283472499 /nfs/dbraw/zinc/47/24/99/1283472499.db2.gz CTSVQLUICLVEEY-SECBINFHSA-N -1 3 352.376 0.788 20 5 FCBDHM C[C@@H]1CS(=O)(=O)CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590328007 1283472508 /nfs/dbraw/zinc/47/25/08/1283472508.db2.gz CTSVQLUICLVEEY-SECBINFHSA-N -1 3 352.376 0.788 20 5 FCBDHM C[C@@H]1CS(=O)(=O)CCN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590328106 1283473609 /nfs/dbraw/zinc/47/36/09/1283473609.db2.gz CYLNRPDFYILJAC-SECBINFHSA-N -1 3 352.376 0.394 20 5 FCBDHM C[C@@H]1CS(=O)(=O)CCN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590328106 1283473612 /nfs/dbraw/zinc/47/36/12/1283473612.db2.gz CYLNRPDFYILJAC-SECBINFHSA-N -1 3 352.376 0.394 20 5 FCBDHM CCC(=O)NCCOCCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590366079 1283504423 /nfs/dbraw/zinc/50/44/23/1283504423.db2.gz BIRMCYWXLIABEL-UHFFFAOYSA-N -1 3 363.378 0.754 20 5 FCBDHM CCC(=O)NCCOCCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590366079 1283504429 /nfs/dbraw/zinc/50/44/29/1283504429.db2.gz BIRMCYWXLIABEL-UHFFFAOYSA-N -1 3 363.378 0.754 20 5 FCBDHM CCCN(CCNC(=O)COC)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590626225 1283671290 /nfs/dbraw/zinc/67/12/90/1283671290.db2.gz PERRNFVAUDYFAL-UHFFFAOYSA-N -1 3 363.378 0.754 20 5 FCBDHM CCCN(CCNC(=O)COC)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590626225 1283671306 /nfs/dbraw/zinc/67/13/06/1283671306.db2.gz PERRNFVAUDYFAL-UHFFFAOYSA-N -1 3 363.378 0.754 20 5 FCBDHM CCCNC(=O)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590636391 1283678965 /nfs/dbraw/zinc/67/89/65/1283678965.db2.gz JTFIWEHYGKUJRD-SNVBAGLBSA-N -1 3 360.378 0.913 20 5 FCBDHM CCCNC(=O)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590636391 1283678978 /nfs/dbraw/zinc/67/89/78/1283678978.db2.gz 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ZINC001591038125 1284096292 /nfs/dbraw/zinc/09/62/92/1284096292.db2.gz AWEUEUJBZDDVSD-UHFFFAOYSA-N -1 3 365.325 0.209 20 5 FCBDHM CN(CC(=O)N1CCOCC1)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591038125 1284096297 /nfs/dbraw/zinc/09/62/97/1284096297.db2.gz AWEUEUJBZDDVSD-UHFFFAOYSA-N -1 3 365.325 0.209 20 5 FCBDHM CN(C[C@H](O)c1cccc(-c2nnn[n-]2)c1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001591050307 1284109562 /nfs/dbraw/zinc/10/95/62/1284109562.db2.gz IOXSKHOJAQRWIO-LBPRGKRZSA-N -1 3 372.345 0.314 20 5 FCBDHM CN(C[C@H](O)c1cccc(-c2nn[n-]n2)c1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001591050307 1284109566 /nfs/dbraw/zinc/10/95/66/1284109566.db2.gz IOXSKHOJAQRWIO-LBPRGKRZSA-N -1 3 372.345 0.314 20 5 FCBDHM CN(CCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)c1cn[nH]n1 ZINC001591093137 1284164179 /nfs/dbraw/zinc/16/41/79/1284164179.db2.gz QCDCPBFHVDFOOF-UHFFFAOYSA-N -1 3 372.349 0.101 20 5 FCBDHM CN1CCn2c(CNc3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])nnc2C1=O ZINC001591196394 1284318821 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357.334 0.803 20 5 FCBDHM CN(C)C(=O)N[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001604671345 1287720761 /nfs/dbraw/zinc/72/07/61/1287720761.db2.gz SHRJBWMEACMQHO-SECBINFHSA-N -1 3 361.366 0.410 20 5 FCBDHM CN(C)C(=O)N[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001604671345 1287720769 /nfs/dbraw/zinc/72/07/69/1287720769.db2.gz SHRJBWMEACMQHO-SECBINFHSA-N -1 3 361.366 0.410 20 5 FCBDHM COC[C@@H]1C[C@@H](O)CN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001591452582 1284614654 /nfs/dbraw/zinc/61/46/54/1284614654.db2.gz DBVDDCORZMHKFK-WDEREUQCSA-N -1 3 371.357 0.909 20 5 FCBDHM COC[C@@H]1C[C@@H](O)CN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001591452582 1284614668 /nfs/dbraw/zinc/61/46/68/1284614668.db2.gz DBVDDCORZMHKFK-WDEREUQCSA-N -1 3 371.357 0.909 20 5 FCBDHM CS(=O)(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591677823 1284816246 /nfs/dbraw/zinc/81/62/46/1284816246.db2.gz AZLFASHVCXNHRY-SECBINFHSA-N -1 3 367.391 0.293 20 5 FCBDHM 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Cc1cc(NCCC(=O)N2CCOCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592045833 1285086041 /nfs/dbraw/zinc/08/60/41/1285086041.db2.gz BYUVYNOLSJONOM-UHFFFAOYSA-N -1 3 361.362 0.744 20 5 FCBDHM Cc1cc(NCCC(=O)N2CCOCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592045833 1285086046 /nfs/dbraw/zinc/08/60/46/1285086046.db2.gz BYUVYNOLSJONOM-UHFFFAOYSA-N -1 3 361.362 0.744 20 5 FCBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001592399504 1285311144 /nfs/dbraw/zinc/31/11/44/1285311144.db2.gz JYRKSWLRBTUABT-UHFFFAOYSA-N -1 3 357.334 0.728 20 5 FCBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)c1cc(-c2nn[n-]n2)ccn1 ZINC001592399504 1285311152 /nfs/dbraw/zinc/31/11/52/1285311152.db2.gz JYRKSWLRBTUABT-UHFFFAOYSA-N -1 3 357.334 0.728 20 5 FCBDHM Cc1nn(CCC(=O)NCc2cncc(-c3nnn[n-]3)c2)c(C)c1[N+](=O)[O-] ZINC001592436491 1285369016 /nfs/dbraw/zinc/36/90/16/1285369016.db2.gz SNLCGKCJHJGGGW-UHFFFAOYSA-N -1 3 371.361 0.690 20 5 FCBDHM Cc1nn(CCC(=O)NCc2cncc(-c3nn[n-]n3)c2)c(C)c1[N+](=O)[O-] ZINC001592436491 1285369031 /nfs/dbraw/zinc/36/90/31/1285369031.db2.gz SNLCGKCJHJGGGW-UHFFFAOYSA-N -1 3 371.361 0.690 20 5 FCBDHM Cn1ncnc1C1(O)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001592607169 1285547087 /nfs/dbraw/zinc/54/70/87/1285547087.db2.gz VHGMAWWMLCORPU-UHFFFAOYSA-N -1 3 371.361 0.391 20 5 FCBDHM Cn1ncnc1C1(O)CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001592607169 1285547095 /nfs/dbraw/zinc/54/70/95/1285547095.db2.gz VHGMAWWMLCORPU-UHFFFAOYSA-N -1 3 371.361 0.391 20 5 FCBDHM NS(=O)(=O)C[C@H]1CC[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001592746445 1285665433 /nfs/dbraw/zinc/66/54/33/1285665433.db2.gz FCQDNGPHVIMDEQ-WCBMZHEXSA-N -1 3 367.391 0.644 20 5 FCBDHM NS(=O)(=O)C[C@H]1CC[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001592746445 1285665436 /nfs/dbraw/zinc/66/54/36/1285665436.db2.gz FCQDNGPHVIMDEQ-WCBMZHEXSA-N -1 3 367.391 0.644 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H]3COC(=O)N[C@@H]3C2)c1-c1nnn[n-]1 ZINC001592758047 1285679301 /nfs/dbraw/zinc/67/93/01/1285679301.db2.gz QYAHATVJCKKBCR-JGVFFNPUSA-N -1 3 360.334 0.292 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H]3COC(=O)N[C@@H]3C2)c1-c1nn[n-]n1 ZINC001592758047 1285679309 /nfs/dbraw/zinc/67/93/09/1285679309.db2.gz QYAHATVJCKKBCR-JGVFFNPUSA-N -1 3 360.334 0.292 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC[C@@H](C(=O)NC3CC3)C2)c1-c1nnn[n-]1 ZINC001592756729 1285680053 /nfs/dbraw/zinc/68/00/53/1285680053.db2.gz LLWVFVWJWKPLGM-SECBINFHSA-N -1 3 372.389 0.852 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CCC[C@@H](C(=O)NC3CC3)C2)c1-c1nn[n-]n1 ZINC001592756729 1285680055 /nfs/dbraw/zinc/68/00/55/1285680055.db2.gz LLWVFVWJWKPLGM-SECBINFHSA-N -1 3 372.389 0.852 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CCN(c3cccnn3)CC2)c1-c1nnn[n-]1 ZINC001592756597 1285680390 /nfs/dbraw/zinc/68/03/90/1285680390.db2.gz CTURXHSUHOSOIH-UHFFFAOYSA-N -1 3 368.361 0.474 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CCN(c3cccnn3)CC2)c1-c1nn[n-]n1 ZINC001592756597 1285680391 /nfs/dbraw/zinc/68/03/91/1285680391.db2.gz CTURXHSUHOSOIH-UHFFFAOYSA-N -1 3 368.361 0.474 20 5 FCBDHM Nc1ncc2c(n1)CN(Cc1c(-c3nnn[n-]3)cccc1[N+](=O)[O-])CC2 ZINC001592763251 1285684299 /nfs/dbraw/zinc/68/42/99/1285684299.db2.gz VUFLGNOXEKJGSW-UHFFFAOYSA-N -1 3 353.346 0.705 20 5 FCBDHM Nc1ncc2c(n1)CN(Cc1c(-c3nn[n-]n3)cccc1[N+](=O)[O-])CC2 ZINC001592763251 1285684304 /nfs/dbraw/zinc/68/43/04/1285684304.db2.gz VUFLGNOXEKJGSW-UHFFFAOYSA-N -1 3 353.346 0.705 20 5 FCBDHM CCn1cc([N+](=O)[O-])c(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001609258835 1289024195 /nfs/dbraw/zinc/02/41/95/1289024195.db2.gz JYUSDRBGVIYWGG-UHFFFAOYSA-N -1 3 372.349 0.228 20 5 FCBDHM CCn1cc([N+](=O)[O-])c(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001609258835 1289024201 /nfs/dbraw/zinc/02/42/01/1289024201.db2.gz JYUSDRBGVIYWGG-UHFFFAOYSA-N -1 3 372.349 0.228 20 5 FCBDHM O=C(CCc1cn[nH]c1)NCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592856676 1285760655 /nfs/dbraw/zinc/76/06/55/1285760655.db2.gz GEUBHHOCXSDGJL-UHFFFAOYSA-N -1 3 371.361 0.659 20 5 FCBDHM O=C(CCc1cn[nH]c1)NCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592856676 1285760659 /nfs/dbraw/zinc/76/06/59/1285760659.db2.gz GEUBHHOCXSDGJL-UHFFFAOYSA-N -1 3 371.361 0.659 20 5 FCBDHM O=C(CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])NCCc1ccccc1 ZINC001592878695 1285785756 /nfs/dbraw/zinc/78/57/56/1285785756.db2.gz PIMJECZLVZYJSQ-UHFFFAOYSA-N -1 3 368.357 0.941 20 5 FCBDHM O=C(CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])NCCc1ccccc1 ZINC001592878695 1285785762 /nfs/dbraw/zinc/78/57/62/1285785762.db2.gz PIMJECZLVZYJSQ-UHFFFAOYSA-N -1 3 368.357 0.941 20 5 FCBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC001592910411 1285806211 /nfs/dbraw/zinc/80/62/11/1285806211.db2.gz IDRQFYQTUDKNQS-UHFFFAOYSA-N -1 3 358.289 0.888 20 5 FCBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC001592910411 1285806220 /nfs/dbraw/zinc/80/62/20/1285806220.db2.gz IDRQFYQTUDKNQS-UHFFFAOYSA-N -1 3 358.289 0.888 20 5 FCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001592937325 1285826447 /nfs/dbraw/zinc/82/64/47/1285826447.db2.gz SCDJCPLUBSFFMV-UHFFFAOYSA-N -1 3 373.304 0.392 20 5 FCBDHM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001592937325 1285826461 /nfs/dbraw/zinc/82/64/61/1285826461.db2.gz SCDJCPLUBSFFMV-UHFFFAOYSA-N -1 3 373.304 0.392 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001592937714 1285829007 /nfs/dbraw/zinc/82/90/07/1285829007.db2.gz ONMJRHULTDQUPZ-UHFFFAOYSA-N -1 3 350.245 0.888 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001592937714 1285829011 /nfs/dbraw/zinc/82/90/11/1285829011.db2.gz ONMJRHULTDQUPZ-UHFFFAOYSA-N -1 3 350.245 0.888 20 5 FCBDHM O=C(NC1CC1)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001592968175 1285851434 /nfs/dbraw/zinc/85/14/34/1285851434.db2.gz YNCIRQBOHSFTPR-JTQLQIEISA-N -1 3 358.362 0.815 20 5 FCBDHM CN1CCC2(CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)C1=O ZINC001609284059 1289047269 /nfs/dbraw/zinc/04/72/69/1289047269.db2.gz AKGWVHVNVJESHP-UHFFFAOYSA-N -1 3 358.362 0.619 20 5 FCBDHM CN1CCC2(CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)C1=O ZINC001609284059 1289047276 /nfs/dbraw/zinc/04/72/76/1289047276.db2.gz AKGWVHVNVJESHP-UHFFFAOYSA-N -1 3 358.362 0.619 20 5 FCBDHM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1)c1ccn[nH]1 ZINC001593191588 1286033578 /nfs/dbraw/zinc/03/35/78/1286033578.db2.gz VMFCOIPTOFFSHL-MGCOHNPYSA-N -1 3 369.345 0.871 20 5 FCBDHM O=C(Nc1cn[nH]c1)[C@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001593256994 1286053088 /nfs/dbraw/zinc/05/30/88/1286053088.db2.gz KLANAPJJFNRATD-VIFPVBQESA-N -1 3 369.345 0.963 20 5 FCBDHM O=C(Nc1cn[nH]c1)[C@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001593256994 1286053095 /nfs/dbraw/zinc/05/30/95/1286053095.db2.gz KLANAPJJFNRATD-VIFPVBQESA-N -1 3 369.345 0.963 20 5 FCBDHM O=C1CCCN1[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001593392995 1286113320 /nfs/dbraw/zinc/11/33/20/1286113320.db2.gz SFXLYJIGSPFQIN-LLVKDONJSA-N -1 3 358.362 0.761 20 5 FCBDHM O=C1CCCN1[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001593392995 1286113323 /nfs/dbraw/zinc/11/33/23/1286113323.db2.gz SFXLYJIGSPFQIN-LLVKDONJSA-N -1 3 358.362 0.761 20 5 FCBDHM O=C1OC[C@@H]2CN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)C[C@H]12 ZINC001593423014 1286145285 /nfs/dbraw/zinc/14/52/85/1286145285.db2.gz PYHCUFOPBBRIBN-UFBFGSQYSA-N -1 3 367.325 0.932 20 5 FCBDHM O=C1OC[C@@H]2CN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)C[C@H]12 ZINC001593423014 1286145286 /nfs/dbraw/zinc/14/52/86/1286145286.db2.gz PYHCUFOPBBRIBN-UFBFGSQYSA-N -1 3 367.325 0.932 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@@H]1CCCS1(=O)=O ZINC001593468482 1286171814 /nfs/dbraw/zinc/17/18/14/1286171814.db2.gz MCYOSMGTVHTPGY-ZETCQYMHSA-N -1 3 356.339 0.903 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@@H]1CCCS1(=O)=O ZINC001593468482 1286171818 /nfs/dbraw/zinc/17/18/18/1286171818.db2.gz MCYOSMGTVHTPGY-ZETCQYMHSA-N -1 3 356.339 0.903 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@@H]1CCCS(=O)(=O)C1 ZINC001593469241 1286171936 /nfs/dbraw/zinc/17/19/36/1286171936.db2.gz VLYDHYQWDJMHHQ-SSDOTTSWSA-N -1 3 356.339 0.903 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@@H]1CCCS(=O)(=O)C1 ZINC001593469241 1286171939 /nfs/dbraw/zinc/17/19/39/1286171939.db2.gz VLYDHYQWDJMHHQ-SSDOTTSWSA-N -1 3 356.339 0.903 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001593467580 1286172644 /nfs/dbraw/zinc/17/26/44/1286172644.db2.gz CPWBCTNESNGYQT-QWRGUYRKSA-N -1 3 364.387 0.646 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001593467580 1286172648 /nfs/dbraw/zinc/17/26/48/1286172648.db2.gz CPWBCTNESNGYQT-QWRGUYRKSA-N -1 3 364.387 0.646 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCO[C@H](Cn2ccnn2)C1 ZINC001593483177 1286174755 /nfs/dbraw/zinc/17/47/55/1286174755.db2.gz WEVFZWILYIGGFU-NSHDSACASA-N -1 3 371.361 0.267 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CCO[C@H](Cn2ccnn2)C1 ZINC001593483177 1286174759 /nfs/dbraw/zinc/17/47/59/1286174759.db2.gz WEVFZWILYIGGFU-NSHDSACASA-N -1 3 371.361 0.267 20 5 FCBDHM O=[N+]([O-])c1cccc(CN2CCN(c3ncncc3-c3nnn[n-]3)CC2)c1 ZINC001593483761 1286174963 /nfs/dbraw/zinc/17/49/63/1286174963.db2.gz HJHRMHGASDFPBU-UHFFFAOYSA-N -1 3 367.373 0.887 20 5 FCBDHM O=[N+]([O-])c1cccc(CN2CCN(c3ncncc3-c3nn[n-]n3)CC2)c1 ZINC001593483761 1286174968 /nfs/dbraw/zinc/17/49/68/1286174968.db2.gz HJHRMHGASDFPBU-UHFFFAOYSA-N -1 3 367.373 0.887 20 5 FCBDHM O=[N+]([O-])c1ncccc1CN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001593487508 1286175433 /nfs/dbraw/zinc/17/54/33/1286175433.db2.gz PVZKMCLWQWTOTN-UHFFFAOYSA-N -1 3 367.373 0.887 20 5 FCBDHM O=[N+]([O-])c1ncccc1CN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001593487508 1286175437 /nfs/dbraw/zinc/17/54/37/1286175437.db2.gz PVZKMCLWQWTOTN-UHFFFAOYSA-N -1 3 367.373 0.887 20 5 FCBDHM O=[N+]([O-])c1cnn(CN2CCN(c3cnccc3-c3nnn[n-]3)CC2)c1 ZINC001593486960 1286175527 /nfs/dbraw/zinc/17/55/27/1286175527.db2.gz FBISIWGLIWBDEE-UHFFFAOYSA-N -1 3 356.350 0.146 20 5 FCBDHM O=[N+]([O-])c1cnn(CN2CCN(c3cnccc3-c3nn[n-]n3)CC2)c1 ZINC001593486960 1286175530 /nfs/dbraw/zinc/17/55/30/1286175530.db2.gz FBISIWGLIWBDEE-UHFFFAOYSA-N -1 3 356.350 0.146 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](Nc3ncccn3)C2)c(-c2nnn[n-]2)c1 ZINC001593486477 1286176603 /nfs/dbraw/zinc/17/66/03/1286176603.db2.gz VBDIYHLQELDREA-SECBINFHSA-N -1 3 354.334 0.651 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](Nc3ncccn3)C2)c(-c2nn[n-]n2)c1 ZINC001593486477 1286176604 /nfs/dbraw/zinc/17/66/04/1286176604.db2.gz VBDIYHLQELDREA-SECBINFHSA-N -1 3 354.334 0.651 20 5 FCBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCNC[C@H]2C(=O)[O-])c1 ZINC001600303176 1286474224 /nfs/dbraw/zinc/47/42/24/1286474224.db2.gz ZBEBPWNCYGIGHL-LBPRGKRZSA-N -1 3 357.388 0.649 20 5 FCBDHM COC(=O)C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001604933254 1287816811 /nfs/dbraw/zinc/81/68/11/1287816811.db2.gz 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C[S@](=O)CCN1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001605363438 1287941207 /nfs/dbraw/zinc/94/12/07/1287941207.db2.gz USZSRCHLRGKFOM-VWLOTQADSA-N -1 3 365.419 0.275 20 5 FCBDHM C[S@](=O)CCN1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001605363438 1287941215 /nfs/dbraw/zinc/94/12/15/1287941215.db2.gz USZSRCHLRGKFOM-VWLOTQADSA-N -1 3 365.419 0.275 20 5 FCBDHM Cc1ncoc1C(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001606102323 1288165466 /nfs/dbraw/zinc/16/54/66/1288165466.db2.gz VZVVIBVZJGMZQX-UHFFFAOYSA-N -1 3 372.345 0.938 20 5 FCBDHM Cc1ncoc1C(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001606102323 1288165470 /nfs/dbraw/zinc/16/54/70/1288165470.db2.gz VZVVIBVZJGMZQX-UHFFFAOYSA-N -1 3 372.345 0.938 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(NCCc2nnc3n2CCCC3)c1-c1nnn[n-]1 ZINC001606451470 1288325579 /nfs/dbraw/zinc/32/55/79/1288325579.db2.gz KJMDPSBTKDKAFG-UHFFFAOYSA-N -1 3 370.377 0.940 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(NCCc2nnc3n2CCCC3)c1-c1nn[n-]n1 ZINC001606451470 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369.341 0.814 20 5 FCBDHM C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820334992 599516941 /nfs/dbraw/zinc/51/69/41/599516941.db2.gz SFYOBJSEACPLOY-SNVBAGLBSA-N -1 3 369.341 0.814 20 5 FCBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000826254036 607405091 /nfs/dbraw/zinc/40/50/91/607405091.db2.gz QTBJDJOFKPCFNN-UHFFFAOYSA-N -1 3 370.325 0.988 20 5 FCBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000826254036 607405093 /nfs/dbraw/zinc/40/50/93/607405093.db2.gz QTBJDJOFKPCFNN-UHFFFAOYSA-N -1 3 370.325 0.988 20 5 FCBDHM CCn1cc(S(=O)(=O)Oc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])n1 ZINC000821566770 607445431 /nfs/dbraw/zinc/44/54/31/607445431.db2.gz SPDBYZQQMJAVPG-UHFFFAOYSA-N -1 3 365.331 0.759 20 5 FCBDHM CCn1cc(S(=O)(=O)Oc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])n1 ZINC000821566770 607445434 /nfs/dbraw/zinc/44/54/34/607445434.db2.gz SPDBYZQQMJAVPG-UHFFFAOYSA-N -1 3 365.331 0.759 20 5 FCBDHM Cc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[nH]n1 ZINC000826266970 607620242 /nfs/dbraw/zinc/62/02/42/607620242.db2.gz KCWHSMXWFMEWNL-UHFFFAOYSA-N -1 3 364.347 0.285 20 5 FCBDHM Cc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[nH]n1 ZINC000826266970 607620244 /nfs/dbraw/zinc/62/02/44/607620244.db2.gz KCWHSMXWFMEWNL-UHFFFAOYSA-N -1 3 364.347 0.285 20 5 FCBDHM COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000833708223 605691868 /nfs/dbraw/zinc/69/18/68/605691868.db2.gz OPAFIRTVKNEXIZ-BNOWGMLFSA-N -1 3 352.343 0.966 20 5 FCBDHM O=C1[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1C1CCOCC1 ZINC000823511639 606167078 /nfs/dbraw/zinc/16/70/78/606167078.db2.gz HUIOYZHDKBJAQT-CYBMUJFWSA-N -1 3 373.373 0.967 20 5 FCBDHM O=C1[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1C1CCOCC1 ZINC000823511639 606167080 /nfs/dbraw/zinc/16/70/80/606167080.db2.gz HUIOYZHDKBJAQT-CYBMUJFWSA-N -1 3 373.373 0.967 20 5 FCBDHM O=C(COc1ccccc1-c1nnn[n-]1)OCCn1ccc([N+](=O)[O-])n1 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607842120 /nfs/dbraw/zinc/84/21/20/607842120.db2.gz ANFCUYNMNDEPIL-UHFFFAOYSA-N -1 3 369.389 0.831 20 5 FCBDHM O=C(Cn1cnnn1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826425507 608163434 /nfs/dbraw/zinc/16/34/34/608163434.db2.gz HIHABDBQJVDVCW-UHFFFAOYSA-N -1 3 350.686 0.054 20 5 FCBDHM O=C(Cn1cnnn1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826425507 608163435 /nfs/dbraw/zinc/16/34/35/608163435.db2.gz HIHABDBQJVDVCW-UHFFFAOYSA-N -1 3 350.686 0.054 20 5 FCBDHM COc1ccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826202173 608279966 /nfs/dbraw/zinc/27/99/66/608279966.db2.gz QLHNNFLVXRAABS-UHFFFAOYSA-N -1 3 358.318 0.447 20 5 FCBDHM COc1ccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826202173 608279968 /nfs/dbraw/zinc/27/99/68/608279968.db2.gz QLHNNFLVXRAABS-UHFFFAOYSA-N -1 3 358.318 0.447 20 5 FCBDHM Cc1ccnc(N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000826312157 609527509 /nfs/dbraw/zinc/52/75/09/609527509.db2.gz XBXJAJVZAALUCO-GXTWGEPZSA-N -1 3 371.357 0.985 20 5 FCBDHM Cc1ccnc(N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000826312157 609527512 /nfs/dbraw/zinc/52/75/12/609527512.db2.gz XBXJAJVZAALUCO-GXTWGEPZSA-N -1 3 371.357 0.985 20 5 FCBDHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000767375728 668050835 /nfs/dbraw/zinc/05/08/35/668050835.db2.gz VPAKVDMFYNYHLJ-UHFFFAOYSA-N -1 3 364.351 0.733 20 5 FCBDHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1cccc([N+](=O)[O-])c1C ZINC000767380312 668051148 /nfs/dbraw/zinc/05/11/48/668051148.db2.gz SMOJSBZTJGIVFG-UHFFFAOYSA-N -1 3 360.388 0.902 20 5 FCBDHM CON(C)C(=O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000817148464 670000980 /nfs/dbraw/zinc/00/09/80/670000980.db2.gz VPZSYQOVESRRQN-UHFFFAOYSA-N -1 3 371.293 0.912 20 5 FCBDHM CN1C[C@@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000844888186 670952410 /nfs/dbraw/zinc/95/24/10/670952410.db2.gz RGLXSMRMXLFOTI-PHIMTYICSA-N -1 3 355.372 0.475 20 5 FCBDHM 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WGFZVIFVHYJTAZ-CHWSQXEVSA-N -1 3 357.330 0.885 20 5 FCBDHM O=c1cc([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)[nH]c(=O)[nH]1 ZINC001593495587 1286181071 /nfs/dbraw/zinc/18/10/71/1286181071.db2.gz KGSWWUWVRCNQJL-VIFPVBQESA-N -1 3 370.329 0.970 20 5 FCBDHM O=c1ccc([N+](=O)[O-])cn1C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001593497356 1286181893 /nfs/dbraw/zinc/18/18/93/1286181893.db2.gz IHFJMUUJHILIND-LBPRGKRZSA-N -1 3 358.314 0.377 20 5 FCBDHM CNS(=O)(=O)C[C@H]1CCCN1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609289726 1289057839 /nfs/dbraw/zinc/05/78/39/1289057839.db2.gz BSAYFSWDTSJWGV-SNVBAGLBSA-N -1 3 367.391 0.293 20 5 FCBDHM CNS(=O)(=O)C[C@H]1CCCN1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609289726 1289057849 /nfs/dbraw/zinc/05/78/49/1289057849.db2.gz BSAYFSWDTSJWGV-SNVBAGLBSA-N -1 3 367.391 0.293 20 5 FCBDHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001609291660 1289060288 /nfs/dbraw/zinc/06/02/88/1289060288.db2.gz TZPBYJPVEGAMPH-UHFFFAOYSA-N -1 3 370.329 0.617 20 5 FCBDHM Cc1c(NC(=O)C(=O)NCC2(N(C)C)CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600025504 1286427601 /nfs/dbraw/zinc/42/76/01/1286427601.db2.gz AAMWWQQOSLILSA-UHFFFAOYSA-N -1 3 364.358 0.750 20 5 FCBDHM COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2cccc(-c3nnn[n-]3)c2F)c1 ZINC001609302669 1289076841 /nfs/dbraw/zinc/07/68/41/1289076841.db2.gz CGOKMMVBROJFDG-UHFFFAOYSA-N -1 3 374.288 0.911 20 5 FCBDHM COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2cccc(-c3nn[n-]n3)c2F)c1 ZINC001609302669 1289076844 /nfs/dbraw/zinc/07/68/44/1289076844.db2.gz CGOKMMVBROJFDG-UHFFFAOYSA-N -1 3 374.288 0.911 20 5 FCBDHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001604898101 1287811785 /nfs/dbraw/zinc/81/17/85/1287811785.db2.gz HYYJPYQBVIPPFS-UHFFFAOYSA-N -1 3 357.334 0.960 20 5 FCBDHM COC(=O)[C@@H]1[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(F)F ZINC001604959901 1287819859 /nfs/dbraw/zinc/81/98/59/1287819859.db2.gz QUDGEELQGNXFRC-YUMQZZPRSA-N -1 3 355.261 0.636 20 5 FCBDHM COC(=O)[C@@H]1[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(F)F ZINC001604959901 1287819865 /nfs/dbraw/zinc/81/98/65/1287819865.db2.gz QUDGEELQGNXFRC-YUMQZZPRSA-N -1 3 355.261 0.636 20 5 FCBDHM COC(=O)c1nc(Cl)n(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1 ZINC001604990628 1287827974 /nfs/dbraw/zinc/82/79/74/1287827974.db2.gz WANOTMZLAJTPTF-UHFFFAOYSA-N -1 3 364.709 0.855 20 5 FCBDHM COC(=O)c1nc(Cl)n(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1 ZINC001604990628 1287827977 /nfs/dbraw/zinc/82/79/77/1287827977.db2.gz WANOTMZLAJTPTF-UHFFFAOYSA-N -1 3 364.709 0.855 20 5 FCBDHM COc1cc(CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001605211685 1287911199 /nfs/dbraw/zinc/91/11/99/1287911199.db2.gz KZJOVYRYOMFONQ-UHFFFAOYSA-N -1 3 372.345 0.605 20 5 FCBDHM COc1cc(CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001605211685 1287911203 /nfs/dbraw/zinc/91/12/03/1287911203.db2.gz KZJOVYRYOMFONQ-UHFFFAOYSA-N -1 3 372.345 0.605 20 5 FCBDHM Cc1cc([N+](=O)[O-])nn1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001609413087 1289142309 /nfs/dbraw/zinc/14/23/09/1289142309.db2.gz GMRQIFYTUHBJHN-UHFFFAOYSA-N -1 3 364.347 0.149 20 5 FCBDHM Cc1cc([N+](=O)[O-])nn1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001609413087 1289142311 /nfs/dbraw/zinc/14/23/11/1289142311.db2.gz GMRQIFYTUHBJHN-UHFFFAOYSA-N -1 3 364.347 0.149 20 5 FCBDHM CS(=O)(=O)N1CC[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001605358041 1287937288 /nfs/dbraw/zinc/93/72/88/1287937288.db2.gz ZQWHXFDJJCMGSR-MRVPVSSYSA-N -1 3 353.364 0.221 20 5 FCBDHM CS(=O)(=O)N1CC[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001605358041 1287937292 /nfs/dbraw/zinc/93/72/92/1287937292.db2.gz ZQWHXFDJJCMGSR-MRVPVSSYSA-N -1 3 353.364 0.221 20 5 FCBDHM CS(=O)(=O)NC1CC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001605358286 1287938345 /nfs/dbraw/zinc/93/83/45/1287938345.db2.gz NIFUWAIWIDAOOT-UHFFFAOYSA-N -1 3 353.364 0.267 20 5 FCBDHM CS(=O)(=O)NC1CC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001605358286 1287938348 /nfs/dbraw/zinc/93/83/48/1287938348.db2.gz NIFUWAIWIDAOOT-UHFFFAOYSA-N -1 3 353.364 0.267 20 5 FCBDHM C[C@@H]1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC001605443095 1287965094 /nfs/dbraw/zinc/96/50/94/1287965094.db2.gz BJMQIISJNNUIKD-AOOOYVTPSA-N -1 3 365.369 0.805 20 5 FCBDHM C[C@@H]1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC001605443095 1287965095 /nfs/dbraw/zinc/96/50/95/1287965095.db2.gz BJMQIISJNNUIKD-AOOOYVTPSA-N -1 3 365.369 0.805 20 5 FCBDHM Cc1nc[nH]c1C(=O)N(C)CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605458100 1287969095 /nfs/dbraw/zinc/96/90/95/1287969095.db2.gz AEMDHLKZMKKJRG-UHFFFAOYSA-N -1 3 371.361 0.991 20 5 FCBDHM Cc1nc[nH]c1C(=O)N(C)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605458100 1287969097 /nfs/dbraw/zinc/96/90/97/1287969097.db2.gz AEMDHLKZMKKJRG-UHFFFAOYSA-N -1 3 371.361 0.991 20 5 FCBDHM Cc1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c(-c2nnn[n-]2)cc1N(C)C ZINC001605708572 1288056576 /nfs/dbraw/zinc/05/65/76/1288056576.db2.gz TYSZUHLZRWYEFH-UHFFFAOYSA-N -1 3 372.349 0.380 20 5 FCBDHM Cc1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c(-c2nn[n-]n2)cc1N(C)C ZINC001605708572 1288056581 /nfs/dbraw/zinc/05/65/81/1288056581.db2.gz TYSZUHLZRWYEFH-UHFFFAOYSA-N -1 3 372.349 0.380 20 5 FCBDHM Cc1nc(N2CC[C@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)ncc1[N+](=O)[O-] ZINC001606050218 1288147110 /nfs/dbraw/zinc/14/71/10/1288147110.db2.gz FNZCCEWIUOXNKN-NSHDSACASA-N -1 3 369.345 0.926 20 5 FCBDHM Cc1nc(N2CC[C@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)ncc1[N+](=O)[O-] ZINC001606050218 1288147112 /nfs/dbraw/zinc/14/71/12/1288147112.db2.gz FNZCCEWIUOXNKN-NSHDSACASA-N -1 3 369.345 0.926 20 5 FCBDHM Cc1ocnc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001606178011 1288200864 /nfs/dbraw/zinc/20/08/64/1288200864.db2.gz ULDIZGWSZVRPQJ-UHFFFAOYSA-N -1 3 365.331 0.550 20 5 FCBDHM Cn1cc([C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)nn1 ZINC001606237822 1288225545 /nfs/dbraw/zinc/22/55/45/1288225545.db2.gz RJTPKNGYOHRPES-SECBINFHSA-N -1 3 356.350 0.682 20 5 FCBDHM Cn1cc([C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)nn1 ZINC001606237822 1288225548 /nfs/dbraw/zinc/22/55/48/1288225548.db2.gz RJTPKNGYOHRPES-SECBINFHSA-N -1 3 356.350 0.682 20 5 FCBDHM Nc1c(-c2nnn[n-]2)cnn1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001606446764 1288322670 /nfs/dbraw/zinc/32/26/70/1288322670.db2.gz XWXYLRBFADHWEL-UHFFFAOYSA-N -1 3 355.318 0.816 20 5 FCBDHM Nc1ncc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC001606456857 1288328106 /nfs/dbraw/zinc/32/81/06/1288328106.db2.gz YATKPVRMVMMEQF-UHFFFAOYSA-N -1 3 358.293 0.821 20 5 FCBDHM Nc1ncc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC001606456857 1288328108 /nfs/dbraw/zinc/32/81/08/1288328108.db2.gz YATKPVRMVMMEQF-UHFFFAOYSA-N -1 3 358.293 0.821 20 5 FCBDHM O=C(COC(=O)c1c[nH]c(-c2nnn[n-]2)c1)Nc1ccccc1[N+](=O)[O-] ZINC001606561148 1288385498 /nfs/dbraw/zinc/38/54/98/1288385498.db2.gz IDNZADNOHYBTBC-UHFFFAOYSA-N -1 3 357.286 0.899 20 5 FCBDHM O=C(COC(=O)c1c[nH]c(-c2nn[n-]n2)c1)Nc1ccccc1[N+](=O)[O-] ZINC001606561148 1288385504 /nfs/dbraw/zinc/38/55/04/1288385504.db2.gz IDNZADNOHYBTBC-UHFFFAOYSA-N -1 3 357.286 0.899 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC001606616561 1288410634 /nfs/dbraw/zinc/41/06/34/1288410634.db2.gz XJQDZUBWDZGJSL-UHFFFAOYSA-N -1 3 359.302 0.594 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC001606616561 1288410637 /nfs/dbraw/zinc/41/06/37/1288410637.db2.gz XJQDZUBWDZGJSL-UHFFFAOYSA-N -1 3 359.302 0.594 20 5 FCBDHM O=C(NC1CC1)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001606653648 1288425515 /nfs/dbraw/zinc/42/55/15/1288425515.db2.gz NZTLFQQOPPCQAV-VIFPVBQESA-N -1 3 358.362 0.665 20 5 FCBDHM O=C(NC1CC1)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001606653648 1288425519 /nfs/dbraw/zinc/42/55/19/1288425519.db2.gz NZTLFQQOPPCQAV-VIFPVBQESA-N -1 3 358.362 0.665 20 5 FCBDHM O=C1N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC[C@H]2CO1 ZINC001607052546 1288623082 /nfs/dbraw/zinc/62/30/82/1288623082.db2.gz LSNZLWVOTACWKS-NWDGAFQWSA-N -1 3 359.346 0.705 20 5 FCBDHM O=C1N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC[C@H]2CO1 ZINC001607052546 1288623087 /nfs/dbraw/zinc/62/30/87/1288623087.db2.gz LSNZLWVOTACWKS-NWDGAFQWSA-N -1 3 359.346 0.705 20 5 FCBDHM O=C1OCC[C@H]1N1CCC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001607054120 1288624577 /nfs/dbraw/zinc/62/45/77/1288624577.db2.gz BXLPBXBLAPXTDD-CYBMUJFWSA-N -1 3 373.373 0.967 20 5 FCBDHM O=C1OCC[C@H]1N1CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001607054120 1288624581 /nfs/dbraw/zinc/62/45/81/1288624581.db2.gz BXLPBXBLAPXTDD-CYBMUJFWSA-N -1 3 373.373 0.967 20 5 FCBDHM O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cn2)cs1 ZINC001607079696 1288650308 /nfs/dbraw/zinc/65/03/08/1288650308.db2.gz KRTXELDIBNBJJQ-UHFFFAOYSA-N -1 3 367.372 0.710 20 5 FCBDHM O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cn2)cs1 ZINC001607079696 1288650313 /nfs/dbraw/zinc/65/03/13/1288650313.db2.gz KRTXELDIBNBJJQ-UHFFFAOYSA-N -1 3 367.372 0.710 20 5 FCBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001607081240 1288651789 /nfs/dbraw/zinc/65/17/89/1288651789.db2.gz COLCDFIHWIWUFW-GFCCVEGCSA-N -1 3 371.361 0.700 20 5 FCBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001607081240 1288651793 /nfs/dbraw/zinc/65/17/93/1288651793.db2.gz COLCDFIHWIWUFW-GFCCVEGCSA-N -1 3 371.361 0.700 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@H]1COC2(CCOCC2)O1 ZINC001607081048 1288652372 /nfs/dbraw/zinc/65/23/72/1288652372.db2.gz YZLSVGATIWMENS-JTQLQIEISA-N -1 3 363.334 0.504 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@H]1COC2(CCOCC2)O1 ZINC001607081048 1288652375 /nfs/dbraw/zinc/65/23/75/1288652375.db2.gz YZLSVGATIWMENS-JTQLQIEISA-N -1 3 363.334 0.504 20 5 FCBDHM CC(=O)NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001609063348 1288893965 /nfs/dbraw/zinc/89/39/65/1288893965.db2.gz HHNBUJKTUYTDMQ-ZDUSSCGKSA-N -1 3 361.362 0.112 20 5 FCBDHM CC(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001609063348 1288893968 /nfs/dbraw/zinc/89/39/68/1288893968.db2.gz HHNBUJKTUYTDMQ-ZDUSSCGKSA-N -1 3 361.362 0.112 20 5 FCBDHM CC(C)(CCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)[N+](=O)[O-] ZINC001609083105 1288908662 /nfs/dbraw/zinc/90/86/62/1288908662.db2.gz VUAZQBKDVZEXOK-UHFFFAOYSA-N -1 3 374.405 0.746 20 5 FCBDHM CC(C)(CCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)[N+](=O)[O-] ZINC001609083105 1288908670 /nfs/dbraw/zinc/90/86/70/1288908670.db2.gz VUAZQBKDVZEXOK-UHFFFAOYSA-N -1 3 374.405 0.746 20 5 FCBDHM C[C@@H]1C(=O)N(C)CCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609152528 1288951940 /nfs/dbraw/zinc/95/19/40/1288951940.db2.gz GCJDQGORIAUKTG-SECBINFHSA-N -1 3 368.357 0.990 20 5 FCBDHM C[C@@H]1C(=O)N(C)CCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609152528 1288951942 /nfs/dbraw/zinc/95/19/42/1288951942.db2.gz GCJDQGORIAUKTG-SECBINFHSA-N -1 3 368.357 0.990 20 5 FCBDHM Nc1nccc([C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)n1 ZINC001609513140 1289190611 /nfs/dbraw/zinc/19/06/11/1289190611.db2.gz OQYXIDAXUJWVRN-SECBINFHSA-N -1 3 368.361 0.926 20 5 FCBDHM Nc1nccc([C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)n1 ZINC001609513140 1289190616 /nfs/dbraw/zinc/19/06/16/1289190616.db2.gz OQYXIDAXUJWVRN-SECBINFHSA-N -1 3 368.361 0.926 20 5 FCBDHM O=C(c1cnccc1-c1nnn[n-]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001609584655 1289241511 /nfs/dbraw/zinc/24/15/11/1289241511.db2.gz BOVQTJJXFMIGDM-UHFFFAOYSA-N -1 3 369.345 0.844 20 5 FCBDHM O=C(c1cnccc1-c1nn[n-]n1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001609584655 1289241516 /nfs/dbraw/zinc/24/15/16/1289241516.db2.gz BOVQTJJXFMIGDM-UHFFFAOYSA-N -1 3 369.345 0.844 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N3CCn4ncnc4C3)cc(-c3nnn[n-]3)c2c1 ZINC001609602470 1289258269 /nfs/dbraw/zinc/25/82/69/1289258269.db2.gz OGPVMQSMDVUSMA-UHFFFAOYSA-N -1 3 364.329 0.935 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N3CCn4ncnc4C3)cc(-c3nn[n-]n3)c2c1 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ZINC001576390199 1273223389 /nfs/dbraw/zinc/22/33/89/1273223389.db2.gz WBWHSOPHELTBJZ-VFZGTOFNSA-N -1 3 361.362 0.741 20 5 FCBDHM C[C@@H]1OCC[C@]12CN(c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)CCO2 ZINC001576390199 1273223392 /nfs/dbraw/zinc/22/33/92/1273223392.db2.gz WBWHSOPHELTBJZ-VFZGTOFNSA-N -1 3 361.362 0.741 20 5 FCBDHM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2c[nH]nn2)c2ccccc2)n1 ZINC001577658973 1274669284 /nfs/dbraw/zinc/66/92/84/1274669284.db2.gz VTCACGBFGVOXHF-GFCCVEGCSA-N -1 3 363.359 0.514 20 5 FCBDHM CN(CCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)c1ccon1 ZINC001579145981 1276871385 /nfs/dbraw/zinc/87/13/85/1276871385.db2.gz DQTTWWWZMNTOIW-UHFFFAOYSA-N -1 3 372.345 0.971 20 5 FCBDHM CN(CCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)c1ccon1 ZINC001579145981 1276871398 /nfs/dbraw/zinc/87/13/98/1276871398.db2.gz DQTTWWWZMNTOIW-UHFFFAOYSA-N -1 3 372.345 0.971 20 5 FCBDHM COC(=O)c1cccc(OCc2ncc(-c3nnn[n-]3)cn2)c1[N+](=O)[O-] ZINC001579488154 1277395905 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GLOWPGHSCYIYID-UHFFFAOYSA-N -1 3 361.343 0.847 20 5 FCBDHM Cc1cnoc1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581358437 1279764423 /nfs/dbraw/zinc/76/44/23/1279764423.db2.gz MIIMSEGWMOIIGU-UHFFFAOYSA-N -1 3 372.345 0.938 20 5 FCBDHM Cc1cnoc1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581358437 1279764428 /nfs/dbraw/zinc/76/44/28/1279764428.db2.gz MIIMSEGWMOIIGU-UHFFFAOYSA-N -1 3 372.345 0.938 20 5 FCBDHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001582672700 1281866969 /nfs/dbraw/zinc/86/69/69/1281866969.db2.gz XRDMKCFUIUNWNU-UHFFFAOYSA-N -1 3 369.345 0.460 20 5 FCBDHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001582672700 1281866970 /nfs/dbraw/zinc/86/69/70/1281866970.db2.gz XRDMKCFUIUNWNU-UHFFFAOYSA-N -1 3 369.345 0.460 20 5 FCBDHM CC[C@@H](CS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001604040091 1287558057 /nfs/dbraw/zinc/55/80/57/1287558057.db2.gz VSILUBDBDKCNJV-VIFPVBQESA-N -1 3 357.348 0.909 20 5 FCBDHM CC[C@@H](CS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001604040091 1287558061 /nfs/dbraw/zinc/55/80/61/1287558061.db2.gz VSILUBDBDKCNJV-VIFPVBQESA-N -1 3 357.348 0.909 20 5 FCBDHM CC(C)C[C@H](C(N)=O)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589541205 1282905384 /nfs/dbraw/zinc/90/53/84/1282905384.db2.gz BKBLFNJPVPAAGY-SNVBAGLBSA-N -1 3 362.346 0.966 20 5 FCBDHM CC(C)C[C@H](C(N)=O)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589541205 1282905398 /nfs/dbraw/zinc/90/53/98/1282905398.db2.gz BKBLFNJPVPAAGY-SNVBAGLBSA-N -1 3 362.346 0.966 20 5 FCBDHM CC(C)NC(=O)[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001589724644 1282962215 /nfs/dbraw/zinc/96/22/15/1282962215.db2.gz RVJRDVGJYVVERR-SNVBAGLBSA-N -1 3 360.378 0.911 20 5 FCBDHM CC(C)NC(=O)[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001589724644 1282962228 /nfs/dbraw/zinc/96/22/28/1282962228.db2.gz RVJRDVGJYVVERR-SNVBAGLBSA-N -1 3 360.378 0.911 20 5 FCBDHM CCOC(=O)[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001604367199 1287615979 /nfs/dbraw/zinc/61/59/79/1287615979.db2.gz JXXUZELMUZBBLD-OAHLLOKOSA-N -1 3 362.346 0.933 20 5 FCBDHM CCOC(=O)[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001604367199 1287615990 /nfs/dbraw/zinc/61/59/90/1287615990.db2.gz JXXUZELMUZBBLD-OAHLLOKOSA-N -1 3 362.346 0.933 20 5 FCBDHM CC1(C)CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](CO)O1 ZINC001590105686 1283218832 /nfs/dbraw/zinc/21/88/32/1283218832.db2.gz HUWSMCBBCUMJBD-MRVPVSSYSA-N -1 3 352.326 0.890 20 5 FCBDHM CC1(C)CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](CO)O1 ZINC001590105686 1283218835 /nfs/dbraw/zinc/21/88/35/1283218835.db2.gz HUWSMCBBCUMJBD-MRVPVSSYSA-N -1 3 352.326 0.890 20 5 FCBDHM C[C@@]12CN(c3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001590155507 1283251523 /nfs/dbraw/zinc/25/15/23/1283251523.db2.gz IUBUVWJYLLXJCR-GJZGRUSLSA-N -1 3 357.330 0.264 20 5 FCBDHM C[C@@]12CN(c3c(-c4nn[n-]n4)cccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001590155507 1283251528 /nfs/dbraw/zinc/25/15/28/1283251528.db2.gz IUBUVWJYLLXJCR-GJZGRUSLSA-N -1 3 357.330 0.264 20 5 FCBDHM C[C@H]1CCN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCS1(=O)=O ZINC001590270941 1283398778 /nfs/dbraw/zinc/39/87/78/1283398778.db2.gz CLMOYWOXVGIPBW-JTQLQIEISA-N -1 3 366.403 0.784 20 5 FCBDHM C[C@H]1CCN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCS1(=O)=O ZINC001590270941 1283398784 /nfs/dbraw/zinc/39/87/84/1283398784.db2.gz CLMOYWOXVGIPBW-JTQLQIEISA-N -1 3 366.403 0.784 20 5 FCBDHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCS1(=O)=O ZINC001590275065 1283400976 /nfs/dbraw/zinc/40/09/76/1283400976.db2.gz UFLDEVWFUZRJHG-SECBINFHSA-N -1 3 352.376 0.788 20 5 FCBDHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCS1(=O)=O ZINC001590275065 1283400984 /nfs/dbraw/zinc/40/09/84/1283400984.db2.gz UFLDEVWFUZRJHG-SECBINFHSA-N -1 3 352.376 0.788 20 5 FCBDHM C[C@H]1CN(C)C(=O)CN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590303606 1283442603 /nfs/dbraw/zinc/44/26/03/1283442603.db2.gz NMSVPRAVFAMVMI-VIFPVBQESA-N -1 3 368.357 0.990 20 5 FCBDHM C[C@H]1CN(C)C(=O)CN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590303606 1283442612 /nfs/dbraw/zinc/44/26/12/1283442612.db2.gz NMSVPRAVFAMVMI-VIFPVBQESA-N -1 3 368.357 0.990 20 5 FCBDHM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[C@H](C)CN1 ZINC001590311663 1283455514 /nfs/dbraw/zinc/45/55/14/1283455514.db2.gz DSPHJLOYXOBYGF-RKDXNWHRSA-N -1 3 367.391 0.146 20 5 FCBDHM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@H](C)CN1 ZINC001590311663 1283455521 /nfs/dbraw/zinc/45/55/21/1283455521.db2.gz DSPHJLOYXOBYGF-RKDXNWHRSA-N -1 3 367.391 0.146 20 5 FCBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@]2(CCCOC2)O1 ZINC001590318581 1283461948 /nfs/dbraw/zinc/46/19/48/1283461948.db2.gz UZGUBENPWROLBD-BMIGLBTASA-N -1 3 361.362 0.944 20 5 FCBDHM 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RUAKRSNXVYNEHJ-UHFFFAOYSA-N -1 3 356.339 0.537 20 5 FCBDHM CCc1n[nH]c(C(=O)NCc2ccc(-c3nnn[n-]3)c(OC)c2)c1[N+](=O)[O-] ZINC001590871312 1283942395 /nfs/dbraw/zinc/94/23/95/1283942395.db2.gz XSBHPICLISWQHD-UHFFFAOYSA-N -1 3 372.345 0.999 20 5 FCBDHM CCc1n[nH]c(C(=O)NCc2ccc(-c3nn[n-]n3)c(OC)c2)c1[N+](=O)[O-] ZINC001590871312 1283942400 /nfs/dbraw/zinc/94/24/00/1283942400.db2.gz XSBHPICLISWQHD-UHFFFAOYSA-N -1 3 372.345 0.999 20 5 FCBDHM CCn1ccc(C(=O)NCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001590956145 1284008421 /nfs/dbraw/zinc/00/84/21/1284008421.db2.gz PRHRBBMGDGRJEI-UHFFFAOYSA-N -1 3 371.361 0.833 20 5 FCBDHM CCn1ccc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001590956145 1284008429 /nfs/dbraw/zinc/00/84/29/1284008429.db2.gz PRHRBBMGDGRJEI-UHFFFAOYSA-N -1 3 371.361 0.833 20 5 FCBDHM CN(C)C(=O)[C@H]1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])O1 ZINC001591002223 1284060224 /nfs/dbraw/zinc/06/02/24/1284060224.db2.gz NLHIRPGYGKGCRE-GXSJLCMTSA-N -1 3 362.350 0.218 20 5 FCBDHM 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1284811384 /nfs/dbraw/zinc/81/13/84/1284811384.db2.gz VIIJCUFEBWFPLY-UHFFFAOYSA-N -1 3 355.380 0.797 20 5 FCBDHM CS(=O)(=O)N1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591676803 1284814194 /nfs/dbraw/zinc/81/41/94/1284814194.db2.gz KLGMGWPXUMXNTQ-VIFPVBQESA-N -1 3 367.391 0.611 20 5 FCBDHM CS(=O)(=O)N1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591676803 1284814200 /nfs/dbraw/zinc/81/42/00/1284814200.db2.gz KLGMGWPXUMXNTQ-VIFPVBQESA-N -1 3 367.391 0.611 20 5 FCBDHM Cc1cc(-c2nnn[n-]2)ccc1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC001591866309 1284958324 /nfs/dbraw/zinc/95/83/24/1284958324.db2.gz HMYWWLATGFHKAL-UHFFFAOYSA-N -1 3 355.314 0.392 20 5 FCBDHM Cc1cc(-c2nn[n-]n2)ccc1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC001591866309 1284958332 /nfs/dbraw/zinc/95/83/32/1284958332.db2.gz HMYWWLATGFHKAL-UHFFFAOYSA-N -1 3 355.314 0.392 20 5 FCBDHM Cc1cc(N2CCS(=O)(=O)[C@@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592008604 1285056446 /nfs/dbraw/zinc/05/64/46/1285056446.db2.gz 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366.281 0.579 20 5 FCBDHM N=c1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc2[nH][n-]cc1-2 ZINC000545471063 1211418111 /nfs/dbraw/zinc/41/81/11/1211418111.db2.gz RYOGHJVUWIBDNS-UHFFFAOYSA-N -1 3 368.357 0.588 20 5 FCBDHM O=C(Nc1ccc(N2CCNC(=O)C2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000915643947 1245525345 /nfs/dbraw/zinc/52/53/45/1245525345.db2.gz RPEDVGDPOQPZRX-UHFFFAOYSA-N -1 3 357.326 0.884 20 5 FCBDHM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@@H]2CNCCO2)c1 ZINC001580874840 1279081041 /nfs/dbraw/zinc/08/10/41/1279081041.db2.gz LQDRWRWQGJCVFP-QMMMGPOBSA-N -1 3 353.759 0.654 20 5 FCBDHM CC(C)(C)S(=O)(=O)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001603108436 1287308832 /nfs/dbraw/zinc/30/88/32/1287308832.db2.gz NMOWYCWBOBWIPY-UHFFFAOYSA-N -1 3 369.407 0.982 20 5 FCBDHM CC(C)(C)S(=O)(=O)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001603108436 1287308836 /nfs/dbraw/zinc/30/88/36/1287308836.db2.gz NMOWYCWBOBWIPY-UHFFFAOYSA-N -1 3 369.407 0.982 20 5 FCBDHM 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ZINC000821696541 606877694 /nfs/dbraw/zinc/87/76/94/606877694.db2.gz HMXFTTVUWNRLOS-MRVPVSSYSA-N -1 3 372.349 0.335 20 5 FCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823136019 606946968 /nfs/dbraw/zinc/94/69/68/606946968.db2.gz GJYONPFZUAUADN-UHFFFAOYSA-N -1 3 374.317 0.379 20 5 FCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823136019 606946971 /nfs/dbraw/zinc/94/69/71/606946971.db2.gz GJYONPFZUAUADN-UHFFFAOYSA-N -1 3 374.317 0.379 20 5 FCBDHM Cc1cc([N+](=O)[O-])cn(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1=O ZINC000822213012 606984746 /nfs/dbraw/zinc/98/47/46/606984746.db2.gz QUDKEPKXUVAMLZ-UHFFFAOYSA-N -1 3 369.341 0.561 20 5 FCBDHM Cc1cc([N+](=O)[O-])cn(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000822213012 606984747 /nfs/dbraw/zinc/98/47/47/606984747.db2.gz QUDKEPKXUVAMLZ-UHFFFAOYSA-N -1 3 369.341 0.561 20 5 FCBDHM O=[N+]([O-])c1cnc(NCCS(=O)(=O)CC2CC2)c(-c2nnn[n-]2)c1 ZINC000823652276 607040984 /nfs/dbraw/zinc/04/09/84/607040984.db2.gz YFZKZURJZFBDCJ-UHFFFAOYSA-N -1 3 353.364 0.407 20 5 FCBDHM O=[N+]([O-])c1cnc(NCCS(=O)(=O)CC2CC2)c(-c2nn[n-]n2)c1 ZINC000823652276 607040986 /nfs/dbraw/zinc/04/09/86/607040986.db2.gz YFZKZURJZFBDCJ-UHFFFAOYSA-N -1 3 353.364 0.407 20 5 FCBDHM CCc1nn(C)c(NCCNc2ccc(-c3nnn[n-]3)cn2)c1[N+](=O)[O-] ZINC000825760251 608771285 /nfs/dbraw/zinc/77/12/85/608771285.db2.gz UAICLANVSDDEET-UHFFFAOYSA-N -1 3 358.366 0.990 20 5 FCBDHM CCc1nn(C)c(NCCNc2ccc(-c3nn[n-]n3)cn2)c1[N+](=O)[O-] ZINC000825760251 608771289 /nfs/dbraw/zinc/77/12/89/608771289.db2.gz UAICLANVSDDEET-UHFFFAOYSA-N -1 3 358.366 0.990 20 5 FCBDHM CN1C(=O)CC[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826010957 609510264 /nfs/dbraw/zinc/51/02/64/609510264.db2.gz ROKSRPOJAUPAJT-QMMMGPOBSA-N -1 3 365.737 0.988 20 5 FCBDHM CN1C(=O)CC[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826010957 609510265 /nfs/dbraw/zinc/51/02/65/609510265.db2.gz ROKSRPOJAUPAJT-QMMMGPOBSA-N -1 3 365.737 0.988 20 5 FCBDHM NC(=O)c1cccc(CSc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000826394127 609580111 /nfs/dbraw/zinc/58/01/11/609580111.db2.gz XSGRLFDEFYJOBH-UHFFFAOYSA-N -1 3 358.343 0.956 20 5 FCBDHM C[N-]S(=O)(=O)c1cc(C(=O)OCCn2ccc([N+](=O)[O-])n2)ccc1F ZINC000752585274 667522087 /nfs/dbraw/zinc/52/20/87/667522087.db2.gz XXXUSJOIQIIIFZ-UHFFFAOYSA-N -1 3 372.334 0.696 20 5 FCBDHM O=C1COc2ccc(S(=O)(=O)NN=c3[n-]cccc3[N+](=O)[O-])cc2N1 ZINC000759167749 667796010 /nfs/dbraw/zinc/79/60/10/667796010.db2.gz CRIDGCDHBZPDOG-UHFFFAOYSA-N -1 3 365.327 0.626 20 5 FCBDHM NC(=O)C1=NO[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000784724569 668672113 /nfs/dbraw/zinc/67/21/13/668672113.db2.gz RIVYSFYMWLWYDM-SSDOTTSWSA-N -1 3 362.751 0.157 20 5 FCBDHM CN1C(=O)CN([N-]C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000785304805 668704685 /nfs/dbraw/zinc/70/46/85/668704685.db2.gz NOWKFALTVWYFHF-UHFFFAOYSA-N -1 3 355.694 0.112 20 5 FCBDHM O=C([N-]OCCO)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000787290389 668793242 /nfs/dbraw/zinc/79/32/42/668793242.db2.gz DXBQVOHRTWDRLW-LLVKDONJSA-N -1 3 373.387 0.036 20 5 FCBDHM COC(=O)c1cc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cnc1C ZINC000793404916 668927236 /nfs/dbraw/zinc/92/72/36/668927236.db2.gz KPSTYNQIBABTDH-UHFFFAOYSA-N -1 3 367.343 0.785 20 5 FCBDHM CCNS(=O)(=O)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000825476764 669456077 /nfs/dbraw/zinc/45/60/77/669456077.db2.gz VIPDJWLDQKYKQA-JTQLQIEISA-N -1 3 367.391 0.293 20 5 FCBDHM CCNS(=O)(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000825476764 669456078 /nfs/dbraw/zinc/45/60/78/669456078.db2.gz VIPDJWLDQKYKQA-JTQLQIEISA-N -1 3 367.391 0.293 20 5 FCBDHM Cc1noc(COC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)c1[N+](=O)[O-] ZINC000853883671 671560178 /nfs/dbraw/zinc/56/01/78/671560178.db2.gz BBASYWDNWGCGNX-UHFFFAOYSA-N -1 3 374.331 0.518 20 5 FCBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CN2CCN(C)CC2)cc1F ZINC000866747174 672296608 /nfs/dbraw/zinc/29/66/08/672296608.db2.gz LCSDZLHOOGFWEH-GFCCVEGCSA-N -1 3 374.438 0.957 20 5 FCBDHM CC(C)C(=O)NC1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589405036 1282874488 /nfs/dbraw/zinc/87/44/88/1282874488.db2.gz VEFQBTJJLRDCJF-UHFFFAOYSA-N -1 3 360.378 0.911 20 5 FCBDHM CC(C)C(=O)NC1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001589405036 1282874504 /nfs/dbraw/zinc/87/45/04/1282874504.db2.gz VEFQBTJJLRDCJF-UHFFFAOYSA-N -1 3 360.378 0.911 20 5 FCBDHM CC(C)OC[C@@H](CO)N(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589746379 1282973893 /nfs/dbraw/zinc/97/38/93/1282973893.db2.gz OPVQEKBYQROPHU-CYBMUJFWSA-N -1 3 350.379 0.993 20 5 FCBDHM CC(C)OC[C@@H](CO)N(C)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589746379 1282973903 /nfs/dbraw/zinc/97/39/03/1282973903.db2.gz OPVQEKBYQROPHU-CYBMUJFWSA-N -1 3 350.379 0.993 20 5 FCBDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001589753528 1282979102 /nfs/dbraw/zinc/97/91/02/1282979102.db2.gz XHMGEKVJDWBJKU-UHFFFAOYSA-N -1 3 373.333 0.792 20 5 FCBDHM C[C@@H](CS(C)(=O)=O)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589887393 1283110139 /nfs/dbraw/zinc/11/01/39/1283110139.db2.gz VQUJNQXKLPWEPW-QMMMGPOBSA-N -1 3 369.359 0.499 20 5 FCBDHM C[C@@H](CS(C)(=O)=O)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589887393 1283110140 /nfs/dbraw/zinc/11/01/40/1283110140.db2.gz VQUJNQXKLPWEPW-QMMMGPOBSA-N -1 3 369.359 0.499 20 5 FCBDHM C[C@H]1C[C@H](N2CCOCC2)CN1c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590197803 1283308688 /nfs/dbraw/zinc/30/86/88/1283308688.db2.gz SFGAMTMZDNMFHD-JQWIXIFHSA-N -1 3 374.405 0.657 20 5 FCBDHM C[C@H]1C[C@H](N2CCOCC2)CN1c1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590197803 1283308701 /nfs/dbraw/zinc/30/87/01/1283308701.db2.gz SFGAMTMZDNMFHD-JQWIXIFHSA-N -1 3 374.405 0.657 20 5 FCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC[S@@]1=O ZINC001590273942 1283400451 /nfs/dbraw/zinc/40/04/51/1283400451.db2.gz CEMPVJQBDIUGOB-GPQZVPNXSA-N -1 3 351.392 0.704 20 5 FCBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC[S@@]1=O ZINC001590273942 1283400457 /nfs/dbraw/zinc/40/04/57/1283400457.db2.gz CEMPVJQBDIUGOB-GPQZVPNXSA-N -1 3 351.392 0.704 20 5 FCBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CCS1(=O)=O ZINC001590274645 1283401619 /nfs/dbraw/zinc/40/16/19/1283401619.db2.gz NXKVQBUFZSFXMN-MRVPVSSYSA-N -1 3 367.391 0.371 20 5 FCBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CCS1(=O)=O ZINC001590274645 1283401622 /nfs/dbraw/zinc/40/16/22/1283401622.db2.gz NXKVQBUFZSFXMN-MRVPVSSYSA-N -1 3 367.391 0.371 20 5 FCBDHM CCOC(=O)[C@H](F)C1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590754263 1283812419 /nfs/dbraw/zinc/81/24/19/1283812419.db2.gz RVFLHQQWHGKDCU-SNVBAGLBSA-N -1 3 351.298 0.507 20 5 FCBDHM CCOC(=O)[C@H](F)C1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590754263 1283812429 /nfs/dbraw/zinc/81/24/29/1283812429.db2.gz RVFLHQQWHGKDCU-SNVBAGLBSA-N -1 3 351.298 0.507 20 5 FCBDHM CCS(=O)(=O)NCCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590847227 1283923103 /nfs/dbraw/zinc/92/31/03/1283923103.db2.gz LXYPAUWDKYHLAY-UHFFFAOYSA-N -1 3 355.380 0.516 20 5 FCBDHM CCS(=O)(=O)NCCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590847227 1283923108 /nfs/dbraw/zinc/92/31/08/1283923108.db2.gz LXYPAUWDKYHLAY-UHFFFAOYSA-N -1 3 355.380 0.516 20 5 FCBDHM CCS(=O)(=O)NCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590847569 1283924005 /nfs/dbraw/zinc/92/40/05/1283924005.db2.gz YFWBRBFGKTZXKI-UHFFFAOYSA-N -1 3 355.380 0.516 20 5 FCBDHM CCS(=O)(=O)NCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590847569 1283924016 /nfs/dbraw/zinc/92/40/16/1283924016.db2.gz YFWBRBFGKTZXKI-UHFFFAOYSA-N -1 3 355.380 0.516 20 5 FCBDHM CN(CCCNC(=O)C1CCC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591068961 1284126999 /nfs/dbraw/zinc/12/69/99/1284126999.db2.gz ANQKXYKYTYUZML-UHFFFAOYSA-N -1 3 360.378 0.913 20 5 FCBDHM CN(CCCNC(=O)C1CCC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591068961 1284127006 /nfs/dbraw/zinc/12/70/06/1284127006.db2.gz ANQKXYKYTYUZML-UHFFFAOYSA-N -1 3 360.378 0.913 20 5 FCBDHM CNC(=O)N[C@@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591209685 1284339671 /nfs/dbraw/zinc/33/96/71/1284339671.db2.gz FKEMNFCLKRQWJB-SSDOTTSWSA-N -1 3 350.314 0.422 20 5 FCBDHM CNC(=O)N[C@@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591209685 1284339681 /nfs/dbraw/zinc/33/96/81/1284339681.db2.gz FKEMNFCLKRQWJB-SSDOTTSWSA-N -1 3 350.314 0.422 20 5 FCBDHM CO[C@]1(CO)CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591343587 1284478928 /nfs/dbraw/zinc/47/89/28/1284478928.db2.gz AGMPPHNOLCWAPU-CQSZACIVSA-N -1 3 352.326 0.892 20 5 FCBDHM CO[C@]1(CO)CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591343587 1284478936 /nfs/dbraw/zinc/47/89/36/1284478936.db2.gz AGMPPHNOLCWAPU-CQSZACIVSA-N -1 3 352.326 0.892 20 5 FCBDHM COCC1(C(=O)NCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001591386266 1284526906 /nfs/dbraw/zinc/52/69/06/1284526906.db2.gz UIKZTWVUSHICFH-UHFFFAOYSA-N -1 3 361.362 0.730 20 5 FCBDHM COCC1(C(=O)NCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001591386266 1284526912 /nfs/dbraw/zinc/52/69/12/1284526912.db2.gz UIKZTWVUSHICFH-UHFFFAOYSA-N -1 3 361.362 0.730 20 5 FCBDHM COCc1nnc2n1CCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC001591461318 1284626154 /nfs/dbraw/zinc/62/61/54/1284626154.db2.gz GGCKLLJQDOCUCG-UHFFFAOYSA-N -1 3 357.334 0.533 20 5 FCBDHM COCc1nnc2n1CCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC001591461318 1284626163 /nfs/dbraw/zinc/62/61/63/1284626163.db2.gz GGCKLLJQDOCUCG-UHFFFAOYSA-N -1 3 357.334 0.533 20 5 FCBDHM COc1cc([N+](=O)[O-])cn(CC(=O)c2cccc(-c3nnn[n-]3)c2)c1=O ZINC001591555811 1284729609 /nfs/dbraw/zinc/72/96/09/1284729609.db2.gz YXDGWRXQGKNMGH-UHFFFAOYSA-N -1 3 356.298 0.828 20 5 FCBDHM COc1cc([N+](=O)[O-])cn(CC(=O)c2cccc(-c3nn[n-]n3)c2)c1=O ZINC001591555811 1284729616 /nfs/dbraw/zinc/72/96/16/1284729616.db2.gz YXDGWRXQGKNMGH-UHFFFAOYSA-N -1 3 356.298 0.828 20 5 FCBDHM CS(=O)(=O)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591676741 1284812351 /nfs/dbraw/zinc/81/23/51/1284812351.db2.gz KLGMGWPXUMXNTQ-SECBINFHSA-N -1 3 367.391 0.611 20 5 FCBDHM CS(=O)(=O)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591676741 1284812359 /nfs/dbraw/zinc/81/23/59/1284812359.db2.gz KLGMGWPXUMXNTQ-SECBINFHSA-N -1 3 367.391 0.611 20 5 FCBDHM CS(=O)(=O)N1CC[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591676708 1284813803 /nfs/dbraw/zinc/81/38/03/1284813803.db2.gz KAWJCCIHZMFFIB-SECBINFHSA-N -1 3 353.364 0.221 20 5 FCBDHM CS(=O)(=O)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591676708 1284813812 /nfs/dbraw/zinc/81/38/12/1284813812.db2.gz KAWJCCIHZMFFIB-SECBINFHSA-N -1 3 353.364 0.221 20 5 FCBDHM Cc1cc(C(=O)NCCN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)no1 ZINC001591928189 1285013727 /nfs/dbraw/zinc/01/37/27/1285013727.db2.gz HQHRQSKJWZGUTR-UHFFFAOYSA-N -1 3 372.345 0.938 20 5 FCBDHM Cc1cc(C(=O)NCCN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)no1 ZINC001591928189 1285013736 /nfs/dbraw/zinc/01/37/36/1285013736.db2.gz HQHRQSKJWZGUTR-UHFFFAOYSA-N -1 3 372.345 0.938 20 5 FCBDHM Cc1cc(N2CC[C@@H](NS(C)(=O)=O)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592004898 1285053757 /nfs/dbraw/zinc/05/37/57/1285053757.db2.gz NVCQMXVBCYBXEK-SECBINFHSA-N -1 3 367.391 0.211 20 5 FCBDHM Cc1cc(N2CC[C@@H](NS(C)(=O)=O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592004898 1285053769 /nfs/dbraw/zinc/05/37/69/1285053769.db2.gz NVCQMXVBCYBXEK-SECBINFHSA-N -1 3 367.391 0.211 20 5 FCBDHM Cc1nc(N2CCN(Cc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC001592327657 1285236027 /nfs/dbraw/zinc/23/60/27/1285236027.db2.gz KVDHCIADRGXMLI-UHFFFAOYSA-N -1 3 370.377 0.524 20 5 FCBDHM Cc1nc(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC001592327657 1285236031 /nfs/dbraw/zinc/23/60/31/1285236031.db2.gz KVDHCIADRGXMLI-UHFFFAOYSA-N -1 3 370.377 0.524 20 5 FCBDHM CN(CCNC(=O)c1ccnn1C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604772757 1287773309 /nfs/dbraw/zinc/77/33/09/1287773309.db2.gz UVDFRHUOKGVAIW-UHFFFAOYSA-N -1 3 371.361 0.375 20 5 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1282986888 /nfs/dbraw/zinc/98/68/88/1282986888.db2.gz ZRMIWEFUCKMXOJ-UHFFFAOYSA-N -1 3 369.359 0.641 20 5 FCBDHM CCOC(=O)[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001604371381 1287621067 /nfs/dbraw/zinc/62/10/67/1287621067.db2.gz NGTPYHKKFAFWMS-CYBMUJFWSA-N -1 3 362.346 0.852 20 5 FCBDHM CCOC(=O)[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001604371381 1287621072 /nfs/dbraw/zinc/62/10/72/1287621072.db2.gz NGTPYHKKFAFWMS-CYBMUJFWSA-N -1 3 362.346 0.852 20 5 FCBDHM C[C@@H](NCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1nnnn1C1CC1 ZINC001589966142 1283149014 /nfs/dbraw/zinc/14/90/14/1283149014.db2.gz YKTKPHLQCNFCKT-MRVPVSSYSA-N -1 3 356.350 0.947 20 5 FCBDHM C[C@@H](NCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1nnnn1C1CC1 ZINC001589966142 1283149018 /nfs/dbraw/zinc/14/90/18/1283149018.db2.gz YKTKPHLQCNFCKT-MRVPVSSYSA-N -1 3 356.350 0.947 20 5 FCBDHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nnnn1C1CC1 ZINC001589967276 1283149325 /nfs/dbraw/zinc/14/93/25/1283149325.db2.gz 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FCBDHM CC[C@@](COC)(NCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(=O)OC ZINC001590447673 1283545119 /nfs/dbraw/zinc/54/51/19/1283545119.db2.gz CXQSLTDIZMSGCN-HNNXBMFYSA-N -1 3 364.362 0.833 20 5 FCBDHM CC[C@@](COC)(NCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(=O)OC ZINC001590447673 1283545127 /nfs/dbraw/zinc/54/51/27/1283545127.db2.gz CXQSLTDIZMSGCN-HNNXBMFYSA-N -1 3 364.362 0.833 20 5 FCBDHM CCCOCC(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590646190 1283696594 /nfs/dbraw/zinc/69/65/94/1283696594.db2.gz QEGXHLAGOGKCOT-UHFFFAOYSA-N -1 3 363.378 0.754 20 5 FCBDHM CCCOCC(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590646190 1283696610 /nfs/dbraw/zinc/69/66/10/1283696610.db2.gz QEGXHLAGOGKCOT-UHFFFAOYSA-N -1 3 363.378 0.754 20 5 FCBDHM CCNC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001590743808 1283795074 /nfs/dbraw/zinc/79/50/74/1283795074.db2.gz FCDCIVDQZATODF-UHFFFAOYSA-N -1 3 360.378 0.935 20 5 FCBDHM CCNC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001590743808 1283795083 /nfs/dbraw/zinc/79/50/83/1283795083.db2.gz FCDCIVDQZATODF-UHFFFAOYSA-N -1 3 360.378 0.935 20 5 FCBDHM CCc1nc[nH]c1C(=O)NCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590924675 1283973298 /nfs/dbraw/zinc/97/32/98/1283973298.db2.gz MJQBHGDUNIAJLL-UHFFFAOYSA-N -1 3 371.361 0.902 20 5 FCBDHM CCc1nc[nH]c1C(=O)NCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590924675 1283973305 /nfs/dbraw/zinc/97/33/05/1283973305.db2.gz MJQBHGDUNIAJLL-UHFFFAOYSA-N -1 3 371.361 0.902 20 5 FCBDHM CCn1nccc1CN(CCO)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590969753 1284025874 /nfs/dbraw/zinc/02/58/74/1284025874.db2.gz VLABUFWSYHRHEV-UHFFFAOYSA-N -1 3 372.389 0.986 20 5 FCBDHM CCn1nccc1CN(CCO)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590969753 1284025880 /nfs/dbraw/zinc/02/58/80/1284025880.db2.gz VLABUFWSYHRHEV-UHFFFAOYSA-N -1 3 372.389 0.986 20 5 FCBDHM CN(CCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC001591076924 1284144337 /nfs/dbraw/zinc/14/43/37/1284144337.db2.gz 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ZINC001591253119 1284409086 /nfs/dbraw/zinc/40/90/86/1284409086.db2.gz JJDGVPWGPYOOEO-QMMMGPOBSA-N -1 3 365.375 0.512 20 5 FCBDHM COC(=O)[C@]12CN(c3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC001591282319 1284439239 /nfs/dbraw/zinc/43/92/39/1284439239.db2.gz KVUHQEPKBNOCCP-MGPLVRAMSA-N -1 3 374.357 0.791 20 5 FCBDHM COC(=O)[C@]12CN(c3c(-c4nn[n-]n4)cccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC001591282319 1284439242 /nfs/dbraw/zinc/43/92/42/1284439242.db2.gz KVUHQEPKBNOCCP-MGPLVRAMSA-N -1 3 374.357 0.791 20 5 FCBDHM COC(=O)[C@H](CSc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])NC(C)=O ZINC001591284067 1284442163 /nfs/dbraw/zinc/44/21/63/1284442163.db2.gz VHKXKERCKMCCHS-VIFPVBQESA-N -1 3 366.359 0.545 20 5 FCBDHM COC(=O)[C@H](CSc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])NC(C)=O ZINC001591284067 1284442168 /nfs/dbraw/zinc/44/21/68/1284442168.db2.gz VHKXKERCKMCCHS-VIFPVBQESA-N -1 3 366.359 0.545 20 5 FCBDHM COC(=O)c1nn(Cc2cc(-c3nn[n-]n3)ccc2OC)cc1[N+](=O)[O-] ZINC001591307887 1284460971 /nfs/dbraw/zinc/46/09/71/1284460971.db2.gz JQWPQNXZKDRVGQ-UHFFFAOYSA-N -1 3 359.302 0.815 20 5 FCBDHM COC1(OC)CCN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001591346963 1284484459 /nfs/dbraw/zinc/48/44/59/1284484459.db2.gz VQYBSUZHXUEKIU-CYBMUJFWSA-N -1 3 364.362 0.331 20 5 FCBDHM COCc1ncc2c(n1)CCN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC001591461063 1284625698 /nfs/dbraw/zinc/62/56/98/1284625698.db2.gz NVKWLEXECDZUFC-UHFFFAOYSA-N -1 3 369.345 0.669 20 5 FCBDHM COCc1ncc2c(n1)CCN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC001591461063 1284625711 /nfs/dbraw/zinc/62/57/11/1284625711.db2.gz NVKWLEXECDZUFC-UHFFFAOYSA-N -1 3 369.345 0.669 20 5 FCBDHM CS(=O)(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591676615 1284812932 /nfs/dbraw/zinc/81/29/32/1284812932.db2.gz GLYOVUPKBPNJDO-SECBINFHSA-N -1 3 353.364 0.221 20 5 FCBDHM CS(=O)(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591676615 1284812937 /nfs/dbraw/zinc/81/29/37/1284812937.db2.gz 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FCBDHM Cc1cc(COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1-c1nnn[n-]1 ZINC001591971798 1285035291 /nfs/dbraw/zinc/03/52/91/1285035291.db2.gz MZIFJDZTSHFAIP-UHFFFAOYSA-N -1 3 370.325 0.988 20 5 FCBDHM Cc1cc(COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1-c1nn[n-]n1 ZINC001591971798 1285035300 /nfs/dbraw/zinc/03/53/00/1285035300.db2.gz MZIFJDZTSHFAIP-UHFFFAOYSA-N -1 3 370.325 0.988 20 5 FCBDHM Cc1cc(N2CCS(=O)(=O)C[C@@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592008244 1285057891 /nfs/dbraw/zinc/05/78/91/1285057891.db2.gz BNQAMVQQAJQJBE-VIFPVBQESA-N -1 3 366.403 0.954 20 5 FCBDHM Cc1cc(N2CCS(=O)(=O)C[C@@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592008244 1285057900 /nfs/dbraw/zinc/05/79/00/1285057900.db2.gz BNQAMVQQAJQJBE-VIFPVBQESA-N -1 3 366.403 0.954 20 5 FCBDHM Cc1cc([N+](=O)[O-])cnc1NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001592070932 1285109598 /nfs/dbraw/zinc/10/95/98/1285109598.db2.gz XAMRVVQUGWIHBD-UHFFFAOYSA-N -1 3 371.361 0.991 20 5 FCBDHM 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O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001593467579 1286172423 /nfs/dbraw/zinc/17/24/23/1286172423.db2.gz CPWBCTNESNGYQT-MNOVXSKESA-N -1 3 364.387 0.646 20 5 FCBDHM O=[N+]([O-])c1cc(N2CCC[C@H](n3cc(CO)nn3)C2)ccc1-c1nnn[n-]1 ZINC001593470387 1286172945 /nfs/dbraw/zinc/17/29/45/1286172945.db2.gz CORZYLSXAQPCEM-LBPRGKRZSA-N -1 3 371.361 0.700 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N3CCOC[C@H]3CCO)cc(-c3nnn[n-]3)c2c1 ZINC001593480143 1286173554 /nfs/dbraw/zinc/17/35/54/1286173554.db2.gz FUYKKSOFMRZIHB-LLVKDONJSA-N -1 3 371.357 0.911 20 5 FCBDHM O=[N+]([O-])c1ccc2nc(N3CCOC[C@H]3CCO)cc(-c3nn[n-]n3)c2c1 ZINC001593480143 1286173562 /nfs/dbraw/zinc/17/35/62/1286173562.db2.gz FUYKKSOFMRZIHB-LLVKDONJSA-N -1 3 371.357 0.911 20 5 FCBDHM O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2ncccc2-c2nnn[n-]2)cc1 ZINC001593479807 1286173728 /nfs/dbraw/zinc/17/37/28/1286173728.db2.gz YGPVOCPDIHNYPE-CHWSQXEVSA-N -1 3 357.330 0.676 20 5 FCBDHM O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2ncccc2-c2nn[n-]n2)cc1 ZINC001593479807 1286173733 /nfs/dbraw/zinc/17/37/33/1286173733.db2.gz YGPVOCPDIHNYPE-CHWSQXEVSA-N -1 3 357.330 0.676 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCN(c2cccnn2)CC1 ZINC001593483256 1286174883 /nfs/dbraw/zinc/17/48/83/1286174883.db2.gz XWUSQGXJAQAPCG-UHFFFAOYSA-N -1 3 367.373 0.887 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CCN(c2cccnn2)CC1 ZINC001593483256 1286174887 /nfs/dbraw/zinc/17/48/87/1286174887.db2.gz XWUSQGXJAQAPCG-UHFFFAOYSA-N -1 3 367.373 0.887 20 5 FCBDHM O=[N+]([O-])c1cccnc1N1CCN(c2nnccc2-c2nnn[n-]2)CC1 ZINC001593487083 1286175555 /nfs/dbraw/zinc/17/55/55/1286175555.db2.gz SVQCPZKVIFEPJK-UHFFFAOYSA-N -1 3 354.334 0.287 20 5 FCBDHM O=[N+]([O-])c1cccnc1N1CCN(c2nnccc2-c2nn[n-]n2)CC1 ZINC001593487083 1286175558 /nfs/dbraw/zinc/17/55/58/1286175558.db2.gz SVQCPZKVIFEPJK-UHFFFAOYSA-N -1 3 354.334 0.287 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001593486239 1286175778 /nfs/dbraw/zinc/17/57/78/1286175778.db2.gz ORLVDPUMYKCXGU-LLVKDONJSA-N -1 3 355.318 0.618 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001593486239 1286175780 /nfs/dbraw/zinc/17/57/80/1286175780.db2.gz ORLVDPUMYKCXGU-LLVKDONJSA-N -1 3 355.318 0.618 20 5 FCBDHM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001593487210 1286175960 /nfs/dbraw/zinc/17/59/60/1286175960.db2.gz FPGQVFADOXTAQN-NXEZZACHSA-N -1 3 365.419 0.872 20 5 FCBDHM O=[N+]([O-])c1ccnn1CN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001593486807 1286176368 /nfs/dbraw/zinc/17/63/68/1286176368.db2.gz NQWOGRUEGKRRJG-UHFFFAOYSA-N -1 3 373.352 0.890 20 5 FCBDHM O=[N+]([O-])c1ccnn1CN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001593486807 1286176371 /nfs/dbraw/zinc/17/63/71/1286176371.db2.gz NQWOGRUEGKRRJG-UHFFFAOYSA-N -1 3 373.352 0.890 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCN(Cc3cn[nH]c3)CC2)c(-c2nnn[n-]2)c1 ZINC001593486423 1286176635 /nfs/dbraw/zinc/17/66/35/1286176635.db2.gz 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ZINC001602980510 1287171897 /nfs/dbraw/zinc/17/18/97/1287171897.db2.gz LDTQVFDXKAQHIY-UHFFFAOYSA-N -1 3 355.318 0.630 20 5 FCBDHM CNC(=O)c1ccc(=O)n(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001604886536 1287808103 /nfs/dbraw/zinc/80/81/03/1287808103.db2.gz FNUXEPLFVMMCCS-UHFFFAOYSA-N -1 3 355.314 0.345 20 5 FCBDHM CNC(=O)c1ccc(=O)n(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001604886536 1287808106 /nfs/dbraw/zinc/80/81/06/1287808106.db2.gz FNUXEPLFVMMCCS-UHFFFAOYSA-N -1 3 355.314 0.345 20 5 FCBDHM CNS(=O)(=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001604894857 1287810104 /nfs/dbraw/zinc/81/01/04/1287810104.db2.gz TWHWCHTUVSQYFM-JTQLQIEISA-N -1 3 367.391 0.293 20 5 FCBDHM Cc1nc(NCCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)ccc1[N+](=O)[O-] ZINC001606074062 1288153994 /nfs/dbraw/zinc/15/39/94/1288153994.db2.gz VZRWHFWTPDGTRO-UHFFFAOYSA-N -1 3 371.361 0.991 20 5 FCBDHM Cc1nc(NCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)ccc1[N+](=O)[O-] ZINC001606074062 1288153997 /nfs/dbraw/zinc/15/39/97/1288153997.db2.gz VZRWHFWTPDGTRO-UHFFFAOYSA-N -1 3 371.361 0.991 20 5 FCBDHM Cn1cc(C[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)cn1 ZINC001606241351 1288227966 /nfs/dbraw/zinc/22/79/66/1288227966.db2.gz ZQOXWZMCJPPXKD-SNVBAGLBSA-N -1 3 355.362 0.972 20 5 FCBDHM Cn1cc(C[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)cn1 ZINC001606241351 1288227972 /nfs/dbraw/zinc/22/79/72/1288227972.db2.gz ZQOXWZMCJPPXKD-SNVBAGLBSA-N -1 3 355.362 0.972 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(NCC2CCS(=O)(=O)CC2)c1-c1nnn[n-]1 ZINC001606450943 1288323642 /nfs/dbraw/zinc/32/36/42/1288323642.db2.gz BMTYEMBODXDFLI-UHFFFAOYSA-N -1 3 367.391 0.594 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(NCC2CCS(=O)(=O)CC2)c1-c1nn[n-]n1 ZINC001606450943 1288323647 /nfs/dbraw/zinc/32/36/47/1288323647.db2.gz BMTYEMBODXDFLI-UHFFFAOYSA-N -1 3 367.391 0.594 20 5 FCBDHM Cn1cc(N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)cn1 ZINC001609479515 1289173536 /nfs/dbraw/zinc/17/35/36/1289173536.db2.gz WWZFLEWPOJTCMU-SNVBAGLBSA-N -1 3 356.350 0.594 20 5 FCBDHM Cn1cc(N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)cn1 ZINC001609479515 1289173539 /nfs/dbraw/zinc/17/35/39/1289173539.db2.gz WWZFLEWPOJTCMU-SNVBAGLBSA-N -1 3 356.350 0.594 20 5 FCBDHM O=C1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CN1c1ccccc1 ZINC001607035971 1288604704 /nfs/dbraw/zinc/60/47/04/1288604704.db2.gz HFWLQWZQVFFMHX-NSHDSACASA-N -1 3 352.314 0.997 20 5 FCBDHM O=C1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CN1c1ccccc1 ZINC001607035971 1288604708 /nfs/dbraw/zinc/60/47/08/1288604708.db2.gz HFWLQWZQVFFMHX-NSHDSACASA-N -1 3 352.314 0.997 20 5 FCBDHM O=C1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC001607047270 1288616570 /nfs/dbraw/zinc/61/65/70/1288616570.db2.gz DPPWHRQIZPDGHZ-UHFFFAOYSA-N -1 3 371.279 0.986 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001607083828 1288651990 /nfs/dbraw/zinc/65/19/90/1288651990.db2.gz ODYZTRZLHYPCJF-NXEZZACHSA-N -1 3 364.387 0.646 20 5 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3 361.297 0.640 20 5 FCBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1N ZINC001592399160 1285311637 /nfs/dbraw/zinc/31/16/37/1285311637.db2.gz AXEVBBSGWCOFOA-UHFFFAOYSA-N -1 3 361.297 0.640 20 5 FCBDHM Cc1ncncc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592421534 1285350875 /nfs/dbraw/zinc/35/08/75/1285350875.db2.gz NEEHBPWCBSKBGN-UHFFFAOYSA-N -1 3 369.345 0.715 20 5 FCBDHM Cc1ncncc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592421534 1285350887 /nfs/dbraw/zinc/35/08/87/1285350887.db2.gz NEEHBPWCBSKBGN-UHFFFAOYSA-N -1 3 369.345 0.715 20 5 FCBDHM Cc1ocnc1C(=O)NCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592514599 1285439711 /nfs/dbraw/zinc/43/97/11/1285439711.db2.gz QRVDUYUTQJLMOM-UHFFFAOYSA-N -1 3 358.318 0.913 20 5 FCBDHM Cc1ocnc1C(=O)NCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592514599 1285439714 /nfs/dbraw/zinc/43/97/14/1285439714.db2.gz QRVDUYUTQJLMOM-UHFFFAOYSA-N -1 3 358.318 0.913 20 5 FCBDHM Cn1cc(CN2CCN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])CC2)cn1 ZINC001592571816 1285489839 /nfs/dbraw/zinc/48/98/39/1285489839.db2.gz VLWIOIUANXWZES-UHFFFAOYSA-N -1 3 369.389 0.831 20 5 FCBDHM Cn1cc(CN2CCN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])CC2)cn1 ZINC001592571816 1285489846 /nfs/dbraw/zinc/48/98/46/1285489846.db2.gz VLWIOIUANXWZES-UHFFFAOYSA-N -1 3 369.389 0.831 20 5 FCBDHM Cn1cc([N+](=O)[O-])c(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC001592577723 1285495839 /nfs/dbraw/zinc/49/58/39/1285495839.db2.gz PMRJXLUOGWKJOX-UHFFFAOYSA-N -1 3 369.389 0.831 20 5 FCBDHM CN1CC[C@H](C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1=O ZINC001604849626 1287796982 /nfs/dbraw/zinc/79/69/82/1287796982.db2.gz NUPALKBNVNTOHY-VIFPVBQESA-N -1 3 360.330 0.687 20 5 FCBDHM CN1CC[C@H](C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1=O ZINC001604849626 1287796987 /nfs/dbraw/zinc/79/69/87/1287796987.db2.gz NUPALKBNVNTOHY-VIFPVBQESA-N -1 3 360.330 0.687 20 5 FCBDHM NC(=O)c1ccnc(N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c1[N+](=O)[O-] ZINC001592737395 1285653058 /nfs/dbraw/zinc/65/30/58/1285653058.db2.gz GMDQANVTMSQFJL-NSHDSACASA-N -1 3 366.341 0.848 20 5 FCBDHM NC(=O)c1ccnc(N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c1[N+](=O)[O-] ZINC001592737395 1285653059 /nfs/dbraw/zinc/65/30/59/1285653059.db2.gz GMDQANVTMSQFJL-NSHDSACASA-N -1 3 366.341 0.848 20 5 FCBDHM Nc1ncc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC001592762773 1285685076 /nfs/dbraw/zinc/68/50/76/1285685076.db2.gz OXHAGNKPWXXKFE-UHFFFAOYSA-N -1 3 358.293 0.821 20 5 FCBDHM Nc1ncc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC001592762773 1285685081 /nfs/dbraw/zinc/68/50/81/1285685081.db2.gz OXHAGNKPWXXKFE-UHFFFAOYSA-N -1 3 358.293 0.821 20 5 FCBDHM Nc1n[nH]c(C2CCN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])CC2)n1 ZINC001592764806 1285685977 /nfs/dbraw/zinc/68/59/77/1285685977.db2.gz UDSHRWQJFWOGSB-UHFFFAOYSA-N -1 3 356.350 0.859 20 5 FCBDHM Nc1n[nH]c(C2CCN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])CC2)n1 ZINC001592764806 1285685984 /nfs/dbraw/zinc/68/59/84/1285685984.db2.gz UDSHRWQJFWOGSB-UHFFFAOYSA-N -1 3 356.350 0.859 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001592937429 1285825495 /nfs/dbraw/zinc/82/54/95/1285825495.db2.gz AJHKYMUNEDMQNA-UHFFFAOYSA-N -1 3 354.330 0.951 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001592937429 1285825498 /nfs/dbraw/zinc/82/54/98/1285825498.db2.gz AJHKYMUNEDMQNA-UHFFFAOYSA-N -1 3 354.330 0.951 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])cc(F)c1=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001592937695 1285826998 /nfs/dbraw/zinc/82/69/98/1285826998.db2.gz NLJAWYHSKSSPBJ-UHFFFAOYSA-N -1 3 373.304 0.392 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])cc(F)c1=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001592937695 1285827009 /nfs/dbraw/zinc/82/70/09/1285827009.db2.gz NLJAWYHSKSSPBJ-UHFFFAOYSA-N -1 3 373.304 0.392 20 5 FCBDHM O=C(NCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccnc1 ZINC001593093459 1285999949 /nfs/dbraw/zinc/99/99/49/1285999949.db2.gz SVVMWGPQSRQYHL-UHFFFAOYSA-N -1 3 355.318 0.407 20 5 FCBDHM O=C(NCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccnc1 ZINC001593093459 1285999952 /nfs/dbraw/zinc/99/99/52/1285999952.db2.gz SVVMWGPQSRQYHL-UHFFFAOYSA-N -1 3 355.318 0.407 20 5 FCBDHM O=C(OCCn1cnc([N+](=O)[O-])n1)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001593291285 1286066056 /nfs/dbraw/zinc/06/60/56/1286066056.db2.gz HUHXCXNZQMHKCM-NWDGAFQWSA-N -1 3 370.329 0.713 20 5 FCBDHM O=C(OCCn1cnc([N+](=O)[O-])n1)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001593291285 1286066061 /nfs/dbraw/zinc/06/60/61/1286066061.db2.gz HUHXCXNZQMHKCM-NWDGAFQWSA-N -1 3 370.329 0.713 20 5 FCBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H](O)C1CCOCC1 ZINC001593295656 1286068049 /nfs/dbraw/zinc/06/80/49/1286068049.db2.gz AWDJRPQPKPNBNB-ZDUSSCGKSA-N -1 3 363.330 0.606 20 5 FCBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H](O)C1CCOCC1 ZINC001593295656 1286068050 /nfs/dbraw/zinc/06/80/50/1286068050.db2.gz AWDJRPQPKPNBNB-ZDUSSCGKSA-N -1 3 363.330 0.606 20 5 FCBDHM O=C1[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CN1c1ccccc1 ZINC001593378017 1286096888 /nfs/dbraw/zinc/09/68/88/1286096888.db2.gz JLBYXEWCYSDVII-GFCCVEGCSA-N -1 3 352.314 0.997 20 5 FCBDHM O=C1[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CN1c1ccccc1 ZINC001593378017 1286096899 /nfs/dbraw/zinc/09/68/99/1286096899.db2.gz JLBYXEWCYSDVII-GFCCVEGCSA-N -1 3 352.314 0.997 20 5 FCBDHM O=C1NCCC2(CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)O1 ZINC001593404213 1286126072 /nfs/dbraw/zinc/12/60/72/1286126072.db2.gz IVNKRWZUWCSIFY-UHFFFAOYSA-N -1 3 360.334 0.639 20 5 FCBDHM O=C1NCCC2(CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)O1 ZINC001593404213 1286126079 /nfs/dbraw/zinc/12/60/79/1286126079.db2.gz IVNKRWZUWCSIFY-UHFFFAOYSA-N -1 3 360.334 0.639 20 5 FCBDHM O=C1NCCN1[C@H]1CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001593406890 1286130765 /nfs/dbraw/zinc/13/07/65/1286130765.db2.gz CGUKTCWSNRAGJW-NSHDSACASA-N -1 3 358.362 0.769 20 5 FCBDHM O=C1NCCN1[C@H]1CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001593406890 1286130767 /nfs/dbraw/zinc/13/07/67/1286130767.db2.gz CGUKTCWSNRAGJW-NSHDSACASA-N -1 3 358.362 0.769 20 5 FCBDHM O=C1NC2(CCOCC2)C(=O)N1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001593413801 1286136823 /nfs/dbraw/zinc/13/68/23/1286136823.db2.gz IMTYMHXFPWIUIC-UHFFFAOYSA-N -1 3 373.329 0.376 20 5 FCBDHM O=C1NC2(CCOCC2)C(=O)N1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001593413801 1286136827 /nfs/dbraw/zinc/13/68/27/1286136827.db2.gz IMTYMHXFPWIUIC-UHFFFAOYSA-N -1 3 373.329 0.376 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCN(c2nccnn2)CC1 ZINC001593468654 1286171957 /nfs/dbraw/zinc/17/19/57/1286171957.db2.gz QONGMMPLDGBILP-UHFFFAOYSA-N -1 3 354.334 0.287 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCN(c2nccnn2)CC1 ZINC001593468654 1286171965 /nfs/dbraw/zinc/17/19/65/1286171965.db2.gz QONGMMPLDGBILP-UHFFFAOYSA-N -1 3 354.334 0.287 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCN([C@@H]2CCOC2)CC1 ZINC001593468563 1286172542 /nfs/dbraw/zinc/17/25/42/1286172542.db2.gz OIJPNCZBOCKOCL-SNVBAGLBSA-N -1 3 363.353 0.825 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCN([C@@H]2CCOC2)CC1 ZINC001593468563 1286172545 /nfs/dbraw/zinc/17/25/45/1286172545.db2.gz OIJPNCZBOCKOCL-SNVBAGLBSA-N -1 3 363.353 0.825 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001593468572 1286172623 /nfs/dbraw/zinc/17/26/23/1286172623.db2.gz OZQSMQBZXBHUNE-GFCCVEGCSA-N -1 3 371.361 0.700 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001593468572 1286172625 /nfs/dbraw/zinc/17/26/25/1286172625.db2.gz OZQSMQBZXBHUNE-GFCCVEGCSA-N -1 3 371.361 0.700 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001593467581 1286172680 /nfs/dbraw/zinc/17/26/80/1286172680.db2.gz CPWBCTNESNGYQT-WDEREUQCSA-N -1 3 364.387 0.646 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001593467581 1286172683 /nfs/dbraw/zinc/17/26/83/1286172683.db2.gz CPWBCTNESNGYQT-WDEREUQCSA-N -1 3 364.387 0.646 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCN3CC(F)(F)C[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC001593486155 1286174103 /nfs/dbraw/zinc/17/41/03/1286174103.db2.gz LKXYLPVZSPCVJG-VIFPVBQESA-N -1 3 352.305 0.700 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCN3CC(F)(F)C[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC001593486155 1286174106 /nfs/dbraw/zinc/17/41/06/1286174106.db2.gz LKXYLPVZSPCVJG-VIFPVBQESA-N -1 3 352.305 0.700 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCO[C@@H](Cn2ccnn2)C1 ZINC001593483175 1286174378 /nfs/dbraw/zinc/17/43/78/1286174378.db2.gz WEVFZWILYIGGFU-LLVKDONJSA-N -1 3 371.361 0.267 20 5 FCBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CCO[C@@H](Cn2ccnn2)C1 ZINC001593483175 1286174384 /nfs/dbraw/zinc/17/43/84/1286174384.db2.gz WEVFZWILYIGGFU-LLVKDONJSA-N -1 3 371.361 0.267 20 5 FCBDHM O=[N+]([O-])c1ncccc1CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001593488067 1286176257 /nfs/dbraw/zinc/17/62/57/1286176257.db2.gz WPHYTHNKSQJGSV-UHFFFAOYSA-N -1 3 367.373 0.887 20 5 FCBDHM O=C1N=NCN1C1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001593491995 1286179000 /nfs/dbraw/zinc/17/90/00/1286179000.db2.gz GPKJEWUBPXRMKN-UHFFFAOYSA-N -1 3 357.334 0.914 20 5 FCBDHM Cc1ccc(S(=O)(=O)N2CCCNC[C@@H]2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC001600477241 1286494051 /nfs/dbraw/zinc/49/40/51/1286494051.db2.gz MMOUNKZLTPTBHZ-LLVKDONJSA-N -1 3 357.388 0.649 20 5 FCBDHM CNC(=O)N[C@H]1CCCN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001604884741 1287807235 /nfs/dbraw/zinc/80/72/35/1287807235.db2.gz DXWCVRNWXLWFHP-JTQLQIEISA-N -1 3 360.378 0.668 20 5 FCBDHM CNC(=O)N[C@H]1CCCN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001604884741 1287807241 /nfs/dbraw/zinc/80/72/41/1287807241.db2.gz DXWCVRNWXLWFHP-JTQLQIEISA-N -1 3 360.378 0.668 20 5 FCBDHM CNC(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604885354 1287807885 /nfs/dbraw/zinc/80/78/85/1287807885.db2.gz UCAOGMRMNOVLCU-LBPRGKRZSA-N -1 3 360.378 0.668 20 5 FCBDHM CNC(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604885354 1287807889 /nfs/dbraw/zinc/80/78/89/1287807889.db2.gz UCAOGMRMNOVLCU-LBPRGKRZSA-N -1 3 360.378 0.668 20 5 FCBDHM Cc1cc(-c2nnn[n-]2)cnc1-c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC001609389359 1289133559 /nfs/dbraw/zinc/13/35/59/1289133559.db2.gz CRQLBCHVIKYEMA-UHFFFAOYSA-N -1 3 354.290 0.929 20 5 FCBDHM Cc1cc(-c2nn[n-]n2)cnc1-c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC001609389359 1289133561 /nfs/dbraw/zinc/13/35/61/1289133561.db2.gz CRQLBCHVIKYEMA-UHFFFAOYSA-N -1 3 354.290 0.929 20 5 FCBDHM COC[C@]1(CO)CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001605068552 1287865866 /nfs/dbraw/zinc/86/58/66/1287865866.db2.gz PXUBEHRVOMSWIH-CQSZACIVSA-N -1 3 352.326 0.749 20 5 FCBDHM COC[C@]1(CO)CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001605068552 1287865869 /nfs/dbraw/zinc/86/58/69/1287865869.db2.gz PXUBEHRVOMSWIH-CQSZACIVSA-N -1 3 352.326 0.749 20 5 FCBDHM COc1ccc(C(=O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001605255800 1287916885 /nfs/dbraw/zinc/91/68/85/1287916885.db2.gz WHYKEXHGYIEMQY-UHFFFAOYSA-N -1 3 371.313 0.724 20 5 FCBDHM COc1ccc(C(=O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001605255800 1287916891 /nfs/dbraw/zinc/91/68/91/1287916891.db2.gz WHYKEXHGYIEMQY-UHFFFAOYSA-N -1 3 371.313 0.724 20 5 FCBDHM CS(=O)(=O)[C@H]1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001605352831 1287933212 /nfs/dbraw/zinc/93/32/12/1287933212.db2.gz WRNBUARHTMYMTE-UWVGGRQHSA-N -1 3 367.391 0.938 20 5 FCBDHM CS(=O)(=O)[C@H]1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001605352831 1287933218 /nfs/dbraw/zinc/93/32/18/1287933218.db2.gz WRNBUARHTMYMTE-UWVGGRQHSA-N -1 3 367.391 0.938 20 5 FCBDHM Cc1cc(NCCCCS(N)(=O)=O)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605733976 1288066618 /nfs/dbraw/zinc/06/66/18/1288066618.db2.gz QTENWYWBULLMGK-UHFFFAOYSA-N -1 3 355.380 0.564 20 5 FCBDHM Cc1cc(NCCCCS(N)(=O)=O)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605733976 1288066624 /nfs/dbraw/zinc/06/66/24/1288066624.db2.gz QTENWYWBULLMGK-UHFFFAOYSA-N -1 3 355.380 0.564 20 5 FCBDHM Cc1cc([N+](=O)[O-])cc(C(=O)NCCNc2ncccc2-c2nnn[n-]2)n1 ZINC001605755020 1288074200 /nfs/dbraw/zinc/07/42/00/1288074200.db2.gz JVHPEDHRXCAZBB-UHFFFAOYSA-N -1 3 369.345 0.715 20 5 FCBDHM Cc1cc([N+](=O)[O-])cc(C(=O)NCCNc2ncccc2-c2nn[n-]n2)n1 ZINC001605755020 1288074207 /nfs/dbraw/zinc/07/42/07/1288074207.db2.gz JVHPEDHRXCAZBB-UHFFFAOYSA-N -1 3 369.345 0.715 20 5 FCBDHM Cc1nc(C(=O)NCCN(C)c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])co1 ZINC001606029491 1288139882 /nfs/dbraw/zinc/13/98/82/1288139882.db2.gz LZFDAEGJAKCNLX-UHFFFAOYSA-N -1 3 372.345 0.938 20 5 FCBDHM Cc1nc(C(=O)NCCN(C)c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])co1 ZINC001606029491 1288139885 /nfs/dbraw/zinc/13/98/85/1288139885.db2.gz LZFDAEGJAKCNLX-UHFFFAOYSA-N -1 3 372.345 0.938 20 5 FCBDHM Cc1nn(C)c(C(=O)NCCNc2ncccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606105495 1288167876 /nfs/dbraw/zinc/16/78/76/1288167876.db2.gz ZOBAFWGIWMHTKJ-UHFFFAOYSA-N -1 3 372.349 0.054 20 5 FCBDHM Cc1nn(C)c(C(=O)NCCNc2ncccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606105495 1288167880 /nfs/dbraw/zinc/16/78/80/1288167880.db2.gz ZOBAFWGIWMHTKJ-UHFFFAOYSA-N -1 3 372.349 0.054 20 5 FCBDHM Cn1ccc(C(=O)NCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001606246480 1288232380 /nfs/dbraw/zinc/23/23/80/1288232380.db2.gz DUZAFWPPPJKZEW-UHFFFAOYSA-N -1 3 371.361 0.740 20 5 FCBDHM Cn1ccc(C(=O)NCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001606246480 1288232386 /nfs/dbraw/zinc/23/23/86/1288232386.db2.gz DUZAFWPPPJKZEW-UHFFFAOYSA-N -1 3 371.361 0.740 20 5 FCBDHM Cn1nccc1CN1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001606282122 1288250766 /nfs/dbraw/zinc/25/07/66/1288250766.db2.gz PJYXWHYUNDGHRZ-UHFFFAOYSA-N -1 3 370.377 0.226 20 5 FCBDHM Cn1nccc1CN1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001606282122 1288250775 /nfs/dbraw/zinc/25/07/75/1288250775.db2.gz PJYXWHYUNDGHRZ-UHFFFAOYSA-N -1 3 370.377 0.226 20 5 FCBDHM Cn1ncnc1C1(O)CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001606282701 1288252353 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LWZGGZTYRLUQAR-VIFPVBQESA-N -1 3 360.378 0.839 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H](Cn3ccnn3)C2)c1-c1nnn[n-]1 ZINC001606450520 1288323664 /nfs/dbraw/zinc/32/36/64/1288323664.db2.gz HVVCXQLKJHESKX-VIFPVBQESA-N -1 3 356.350 0.475 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H](Cn3ccnn3)C2)c1-c1nn[n-]n1 ZINC001606450520 1288323671 /nfs/dbraw/zinc/32/36/71/1288323671.db2.gz HVVCXQLKJHESKX-VIFPVBQESA-N -1 3 356.350 0.475 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H]3NC(=O)CC[C@H]3C2)c1-c1nnn[n-]1 ZINC001606451254 1288324410 /nfs/dbraw/zinc/32/44/10/1288324410.db2.gz SLNUJNMNOTZECR-DTWKUNHWSA-N -1 3 358.362 0.462 20 5 FCBDHM Nc1c([N+](=O)[O-])ccc(N2CC[C@H]3NC(=O)CC[C@H]3C2)c1-c1nn[n-]n1 ZINC001606451254 1288324413 /nfs/dbraw/zinc/32/44/13/1288324413.db2.gz SLNUJNMNOTZECR-DTWKUNHWSA-N -1 3 358.362 0.462 20 5 FCBDHM Nc1ccc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)nc1[N+](=O)[O-] ZINC001606452183 1288325516 /nfs/dbraw/zinc/32/55/16/1288325516.db2.gz GDKUPVCWBZVULT-UHFFFAOYSA-N -1 3 368.361 0.474 20 5 FCBDHM Nc1ccc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)nc1[N+](=O)[O-] ZINC001606452183 1288325518 /nfs/dbraw/zinc/32/55/18/1288325518.db2.gz GDKUPVCWBZVULT-UHFFFAOYSA-N -1 3 368.361 0.474 20 5 FCBDHM O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001606539723 1288372082 /nfs/dbraw/zinc/37/20/82/1288372082.db2.gz AQMZESNITGMVSU-ZDUSSCGKSA-N -1 3 368.357 0.645 20 5 FCBDHM O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001606539723 1288372085 /nfs/dbraw/zinc/37/20/85/1288372085.db2.gz AQMZESNITGMVSU-ZDUSSCGKSA-N -1 3 368.357 0.645 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001606616241 1288410285 /nfs/dbraw/zinc/41/02/85/1288410285.db2.gz MHUXVWYVKGPSJQ-UHFFFAOYSA-N -1 3 373.329 0.984 20 5 FCBDHM O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001606616268 1288410982 /nfs/dbraw/zinc/41/09/82/1288410982.db2.gz MZZYJIWWGAXDRB-GFCCVEGCSA-N -1 3 354.330 0.255 20 5 FCBDHM 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Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c([N+](=O)[O-])c1 ZINC000540333292 490817976 /nfs/dbraw/zinc/81/79/76/490817976.db2.gz NHKLLOLVCOFPHX-AAEUAGOBSA-N -1 3 371.415 0.817 20 5 FCBDHM COC1(C)CN(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000541483298 490863554 /nfs/dbraw/zinc/86/35/54/490863554.db2.gz RFNZPQBSNZHFOH-UHFFFAOYSA-N -1 3 372.403 0.303 20 5 FCBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000531657726 490970294 /nfs/dbraw/zinc/97/02/94/490970294.db2.gz AJMDTUCHXZATFD-NSHDSACASA-N -1 3 369.403 0.769 20 5 FCBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000544726937 490978095 /nfs/dbraw/zinc/97/80/95/490978095.db2.gz QQAHHEUUWKPESC-LLVKDONJSA-N -1 3 368.371 0.136 20 5 FCBDHM O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCc2c(=O)[n-]cnc2C1 ZINC000568970801 491623101 /nfs/dbraw/zinc/62/31/01/491623101.db2.gz IFMOZFQXKWWEGX-UHFFFAOYSA-N -1 3 372.337 0.989 20 5 FCBDHM NC(=O)c1ccnc(NCC[N-]S(=O)(=O)c2cccs2)c1[N+](=O)[O-] ZINC000562235569 491661844 /nfs/dbraw/zinc/66/18/44/491661844.db2.gz MXACZAAFNKYJFF-UHFFFAOYSA-N -1 3 371.400 0.541 20 5 FCBDHM COC(=O)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])Cc1ccc([O-])c(F)c1 ZINC000580061789 491715362 /nfs/dbraw/zinc/71/53/62/491715362.db2.gz UVUPWQMFGDMKHC-SECBINFHSA-N -1 3 366.305 0.924 20 5 FCBDHM COC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000580317786 491725660 /nfs/dbraw/zinc/72/56/60/491725660.db2.gz CTMYUIGJMVZJIV-SSDOTTSWSA-N -1 3 350.324 0.972 20 5 FCBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)C2)c(F)cc1[N+](=O)[O-] ZINC000590588150 491780079 /nfs/dbraw/zinc/78/00/79/491780079.db2.gz DGTTYMRXVUAJTQ-MRVPVSSYSA-N -1 3 352.365 0.508 20 5 FCBDHM O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@@H]2COC[C@@H]21 ZINC000590921867 491788751 /nfs/dbraw/zinc/78/87/51/491788751.db2.gz UPXNWUJRMXYLMJ-YPMHNXCESA-N -1 3 369.399 0.511 20 5 FCBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C(=O)NCC1(C)C ZINC000595350169 491922882 /nfs/dbraw/zinc/92/28/82/491922882.db2.gz HOCQRXXCXALAHB-NSHDSACASA-N -1 3 371.371 0.184 20 5 FCBDHM C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000597652138 492056976 /nfs/dbraw/zinc/05/69/76/492056976.db2.gz IGMATZIYMKBKOY-RKDXNWHRSA-N -1 3 362.346 0.822 20 5 FCBDHM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000598440726 492098579 /nfs/dbraw/zinc/09/85/79/492098579.db2.gz KSIAWTSJDQSXKB-ABAIWWIYSA-N -1 3 371.415 0.350 20 5 FCBDHM CCn1nncc1C[N-]S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000599358766 492164393 /nfs/dbraw/zinc/16/43/93/492164393.db2.gz HSMQMCCTIOMDMC-UHFFFAOYSA-N -1 3 369.359 0.471 20 5 FCBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CCO)CSC ZINC000619486469 492265689 /nfs/dbraw/zinc/26/56/89/492265689.db2.gz VHVWUGOLMXYFQZ-SECBINFHSA-N -1 3 350.418 0.996 20 5 FCBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C(N)=O ZINC000619489300 492265635 /nfs/dbraw/zinc/26/56/35/492265635.db2.gz SBMRNQFACFUYHK-UWVGGRQHSA-N -1 3 357.388 0.926 20 5 FCBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](CO)c1cnn(C)c1 ZINC000619493402 492266034 /nfs/dbraw/zinc/26/60/34/492266034.db2.gz DZMGSSMWDTVQJN-JTQLQIEISA-N -1 3 356.360 0.349 20 5 FCBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cc(C(N)=O)co1 ZINC000619498034 492266525 /nfs/dbraw/zinc/26/65/25/492266525.db2.gz KUDOIFVOEXPYOG-UHFFFAOYSA-N -1 3 355.328 0.774 20 5 FCBDHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)CO ZINC000593603792 546983393 /nfs/dbraw/zinc/98/33/93/546983393.db2.gz YIEXRVIKGAGHGV-LBPRGKRZSA-N -1 3 369.403 0.761 20 5 FCBDHM CCOC(=O)c1cn(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cn1 ZINC000594465686 546999564 /nfs/dbraw/zinc/99/95/64/546999564.db2.gz ITRVZSGQCYDSNS-UHFFFAOYSA-N -1 3 369.359 0.342 20 5 FCBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCc2c(nnn2C)C1 ZINC000594480053 547000749 /nfs/dbraw/zinc/00/07/49/547000749.db2.gz ZFQAGKQACBLBRD-SNVBAGLBSA-N -1 3 351.388 0.868 20 5 FCBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CCN1CCOCC1 ZINC000594745073 547003944 /nfs/dbraw/zinc/00/39/44/547003944.db2.gz VDPFYRGTQDYSQR-UHFFFAOYSA-N -1 3 366.399 0.754 20 5 FCBDHM CCCNC(=O)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594745467 547004070 /nfs/dbraw/zinc/00/40/70/547004070.db2.gz RMNDESDZTWEONJ-UHFFFAOYSA-N -1 3 352.372 0.948 20 5 FCBDHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000552400609 547377674 /nfs/dbraw/zinc/37/76/74/547377674.db2.gz QQCGUEDVHYKABW-QPUJVOFHSA-N -1 3 369.403 1.374 20 5 FCBDHM COC(=O)[C@H]1CC12CCN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000736906585 598871760 /nfs/dbraw/zinc/87/17/60/598871760.db2.gz GSAZJFXSDLFUME-LLVKDONJSA-N -1 3 359.346 0.949 20 5 FCBDHM COC(=O)[C@H]1CC12CCN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000736906585 598871761 /nfs/dbraw/zinc/87/17/61/598871761.db2.gz GSAZJFXSDLFUME-LLVKDONJSA-N -1 3 359.346 0.949 20 5 FCBDHM Cn1ccnc1N1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737615627 598933302 /nfs/dbraw/zinc/93/33/02/598933302.db2.gz JKWINSGVRGITEP-UHFFFAOYSA-N -1 3 355.362 0.835 20 5 FCBDHM Cn1ccnc1N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737615627 598933304 /nfs/dbraw/zinc/93/33/04/598933304.db2.gz JKWINSGVRGITEP-UHFFFAOYSA-N -1 3 355.362 0.835 20 5 FCBDHM Cn1cc(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)cn1 ZINC000822681119 599037170 /nfs/dbraw/zinc/03/71/70/599037170.db2.gz TWMDYIMGJUVTBL-SNVBAGLBSA-N -1 3 370.377 0.984 20 5 FCBDHM Cn1cc(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)cn1 ZINC000822681119 599037173 /nfs/dbraw/zinc/03/71/73/599037173.db2.gz TWMDYIMGJUVTBL-SNVBAGLBSA-N -1 3 370.377 0.984 20 5 FCBDHM CN(CC(=O)Nc1ccncc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000821593723 599153106 /nfs/dbraw/zinc/15/31/06/599153106.db2.gz HEKWXKSRLYASID-UHFFFAOYSA-N -1 3 354.330 0.667 20 5 FCBDHM CN(CC(=O)Nc1ccncc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000821593723 599153109 /nfs/dbraw/zinc/15/31/09/599153109.db2.gz HEKWXKSRLYASID-UHFFFAOYSA-N -1 3 354.330 0.667 20 5 FCBDHM Cc1c([N+](=O)[O-])cc(C(=O)N(CCN(C)C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000740049933 596910762 /nfs/dbraw/zinc/91/07/62/596910762.db2.gz QTQYRNLLYZTHET-UHFFFAOYSA-N -1 3 354.319 0.900 20 5 FCBDHM Cn1ccnc1CN1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000737617039 598341516 /nfs/dbraw/zinc/34/15/16/598341516.db2.gz ZHTJODCADIWXAY-UHFFFAOYSA-N -1 3 369.389 0.831 20 5 FCBDHM Cn1ccnc1CN1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000737617039 598341517 /nfs/dbraw/zinc/34/15/17/598341517.db2.gz ZHTJODCADIWXAY-UHFFFAOYSA-N -1 3 369.389 0.831 20 5 FCBDHM Cn1cnnc1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737619574 598498004 /nfs/dbraw/zinc/49/80/04/598498004.db2.gz VWIXKPXVPRDDEW-VIFPVBQESA-N -1 3 356.350 0.682 20 5 FCBDHM Cn1cnnc1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737619574 598498006 /nfs/dbraw/zinc/49/80/06/598498006.db2.gz VWIXKPXVPRDDEW-VIFPVBQESA-N -1 3 356.350 0.682 20 5 FCBDHM O=C(Cn1cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1)NC1CC1 ZINC000737986703 598499506 /nfs/dbraw/zinc/49/95/06/598499506.db2.gz LXSQJEFBYJFRIN-UHFFFAOYSA-N -1 3 370.333 0.389 20 5 FCBDHM O=C(Cn1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1)NC1CC1 ZINC000737986703 598499508 /nfs/dbraw/zinc/49/95/08/598499508.db2.gz LXSQJEFBYJFRIN-UHFFFAOYSA-N -1 3 370.333 0.389 20 5 FCBDHM O=C(NCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(O)cc1 ZINC000738077545 598499644 /nfs/dbraw/zinc/49/96/44/598499644.db2.gz FKTWLYRACWIHAO-UHFFFAOYSA-N -1 3 370.329 0.717 20 5 FCBDHM O=C(NCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(O)cc1 ZINC000738077545 598499645 /nfs/dbraw/zinc/49/96/45/598499645.db2.gz FKTWLYRACWIHAO-UHFFFAOYSA-N -1 3 370.329 0.717 20 5 FCBDHM CC(C)C(=O)N[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735685158 598499775 /nfs/dbraw/zinc/49/97/75/598499775.db2.gz PXHLTHQFIKLQSG-JTQLQIEISA-N -1 3 360.378 0.911 20 5 FCBDHM CC(C)C(=O)N[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735685158 598499777 /nfs/dbraw/zinc/49/97/77/598499777.db2.gz PXHLTHQFIKLQSG-JTQLQIEISA-N -1 3 360.378 0.911 20 5 FCBDHM NS(=O)(=O)CC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000737764466 598749916 /nfs/dbraw/zinc/74/99/16/598749916.db2.gz HNTRHMPXSPGEGT-UHFFFAOYSA-N -1 3 367.391 0.280 20 5 FCBDHM NS(=O)(=O)CC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000737764466 598749918 /nfs/dbraw/zinc/74/99/18/598749918.db2.gz HNTRHMPXSPGEGT-UHFFFAOYSA-N -1 3 367.391 0.280 20 5 FCBDHM NC(=O)[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000822864528 599507532 /nfs/dbraw/zinc/50/75/32/599507532.db2.gz CNRSBSBYKFNASL-GFCCVEGCSA-N -1 3 370.329 0.014 20 5 FCBDHM NC(=O)[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000822864528 599507534 /nfs/dbraw/zinc/50/75/34/599507534.db2.gz CNRSBSBYKFNASL-GFCCVEGCSA-N -1 3 370.329 0.014 20 5 FCBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000821745253 607414012 /nfs/dbraw/zinc/41/40/12/607414012.db2.gz MBFMRSSANSWEHK-UHFFFAOYSA-N -1 3 359.302 0.723 20 5 FCBDHM NC(=O)C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCOCC1 ZINC000822864515 607493198 /nfs/dbraw/zinc/49/31/98/607493198.db2.gz CEDSNPNZXPGORO-CYBMUJFWSA-N -1 3 361.362 0.857 20 5 FCBDHM NC(=O)C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCOCC1 ZINC000822864515 607493199 /nfs/dbraw/zinc/49/31/99/607493199.db2.gz CEDSNPNZXPGORO-CYBMUJFWSA-N -1 3 361.362 0.857 20 5 FCBDHM COc1ccc(Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826208290 607553744 /nfs/dbraw/zinc/55/37/44/607553744.db2.gz CNXVFMTYWDZKCR-UHFFFAOYSA-N -1 3 373.285 0.902 20 5 FCBDHM COc1ccc(Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826208290 607553746 /nfs/dbraw/zinc/55/37/46/607553746.db2.gz CNXVFMTYWDZKCR-UHFFFAOYSA-N -1 3 373.285 0.902 20 5 FCBDHM CNS(=O)(=O)C[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821636072 606101492 /nfs/dbraw/zinc/10/14/92/606101492.db2.gz DDFJILPAMOGIBQ-SNVBAGLBSA-N -1 3 367.391 0.293 20 5 FCBDHM CNS(=O)(=O)C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821636072 606101494 /nfs/dbraw/zinc/10/14/94/606101494.db2.gz DDFJILPAMOGIBQ-SNVBAGLBSA-N -1 3 367.391 0.293 20 5 FCBDHM O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000823635269 606640421 /nfs/dbraw/zinc/64/04/21/606640421.db2.gz UREXCNOCROCGST-TZMCWYRMSA-N -1 3 360.330 0.552 20 5 FCBDHM CS(=O)(=O)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821919788 606724607 /nfs/dbraw/zinc/72/46/07/606724607.db2.gz DTBZLWHLIICAAL-UHFFFAOYSA-N -1 3 352.376 0.788 20 5 FCBDHM CS(=O)(=O)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821919788 606724609 /nfs/dbraw/zinc/72/46/09/606724609.db2.gz DTBZLWHLIICAAL-UHFFFAOYSA-N -1 3 352.376 0.788 20 5 FCBDHM COCc1nc2n(n1)C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000821696542 606877422 /nfs/dbraw/zinc/87/74/22/606877422.db2.gz HMXFTTVUWNRLOS-QMMMGPOBSA-N -1 3 372.349 0.335 20 5 FCBDHM COCc1nc2n(n1)C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000821696542 606877424 /nfs/dbraw/zinc/87/74/24/606877424.db2.gz HMXFTTVUWNRLOS-QMMMGPOBSA-N -1 3 372.349 0.335 20 5 FCBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000821612213 607173672 /nfs/dbraw/zinc/17/36/72/607173672.db2.gz MWBSGNZPONONMK-UHFFFAOYSA-N -1 3 371.361 0.813 20 5 FCBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000821612213 607173673 /nfs/dbraw/zinc/17/36/73/607173673.db2.gz MWBSGNZPONONMK-UHFFFAOYSA-N -1 3 371.361 0.813 20 5 FCBDHM CS(=O)(=O)N1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000826223271 607809271 /nfs/dbraw/zinc/80/92/71/607809271.db2.gz HCUKXICREBTPEZ-VIFPVBQESA-N -1 3 367.391 0.468 20 5 FCBDHM CS(=O)(=O)N1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000826223271 607809272 /nfs/dbraw/zinc/80/92/72/607809272.db2.gz HCUKXICREBTPEZ-VIFPVBQESA-N -1 3 367.391 0.468 20 5 FCBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000826422041 608057515 /nfs/dbraw/zinc/05/75/15/608057515.db2.gz KDXOVIHYLYBFKZ-UHFFFAOYSA-N -1 3 370.325 0.723 20 5 FCBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000826422041 608057516 /nfs/dbraw/zinc/05/75/16/608057516.db2.gz KDXOVIHYLYBFKZ-UHFFFAOYSA-N -1 3 370.325 0.723 20 5 FCBDHM Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826362937 608255548 /nfs/dbraw/zinc/25/55/48/608255548.db2.gz OVOVRZBKXWGCCO-UHFFFAOYSA-N -1 3 357.286 0.548 20 5 FCBDHM Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826362937 608255549 /nfs/dbraw/zinc/25/55/49/608255549.db2.gz OVOVRZBKXWGCCO-UHFFFAOYSA-N -1 3 357.286 0.548 20 5 FCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826366716 608376382 /nfs/dbraw/zinc/37/63/82/608376382.db2.gz UXNPSMPTCSGLTH-UHFFFAOYSA-N -1 3 372.301 0.304 20 5 FCBDHM Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826366716 608376384 /nfs/dbraw/zinc/37/63/84/608376384.db2.gz UXNPSMPTCSGLTH-UHFFFAOYSA-N -1 3 372.301 0.304 20 5 FCBDHM 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1285946008 /nfs/dbraw/zinc/94/60/08/1285946008.db2.gz WJVXSHUFHFZZFR-OWOJBTEDSA-N -1 3 369.345 0.896 20 5 FCBDHM O=C(NC/C=C/CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1cn[nH]c1 ZINC001593053473 1285946012 /nfs/dbraw/zinc/94/60/12/1285946012.db2.gz WJVXSHUFHFZZFR-OWOJBTEDSA-N -1 3 369.345 0.896 20 5 FCBDHM O=C(NCC=CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccn[nH]1 ZINC001593058200 1285952579 /nfs/dbraw/zinc/95/25/79/1285952579.db2.gz QPZUMZFBDALABM-OWOJBTEDSA-N -1 3 369.345 0.896 20 5 FCBDHM O=C(NCC=CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccn[nH]1 ZINC001593058200 1285952586 /nfs/dbraw/zinc/95/25/86/1285952586.db2.gz QPZUMZFBDALABM-OWOJBTEDSA-N -1 3 369.345 0.896 20 5 FCBDHM O=C(NCC=CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccn[nH]1 ZINC001593058202 1285953102 /nfs/dbraw/zinc/95/31/02/1285953102.db2.gz QPZUMZFBDALABM-UPHRSURJSA-N -1 3 369.345 0.896 20 5 FCBDHM O=C(NCC=CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccn[nH]1 ZINC001593058202 1285953107 /nfs/dbraw/zinc/95/31/07/1285953107.db2.gz 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VPYOYPAFFCQOSD-UHFFFAOYSA-N -1 3 371.361 0.693 20 5 FCBDHM CN1CCO[C@H](CSc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001591195199 1284316121 /nfs/dbraw/zinc/31/61/21/1284316121.db2.gz WIVOLKDRIZBEEM-QMMMGPOBSA-N -1 3 351.392 0.780 20 5 FCBDHM CN1CCO[C@H](CSc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001591195199 1284316127 /nfs/dbraw/zinc/31/61/27/1284316127.db2.gz WIVOLKDRIZBEEM-QMMMGPOBSA-N -1 3 351.392 0.780 20 5 FCBDHM CNC(=O)CN1CCC(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001591208972 1284337793 /nfs/dbraw/zinc/33/77/93/1284337793.db2.gz QMKRPICGSSBEAO-UHFFFAOYSA-N -1 3 366.407 0.459 20 5 FCBDHM CNC(=O)CN1CCC(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001591208972 1284337801 /nfs/dbraw/zinc/33/78/01/1284337801.db2.gz QMKRPICGSSBEAO-UHFFFAOYSA-N -1 3 366.407 0.459 20 5 FCBDHM CNC(=O)Cn1nc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1C ZINC001591209774 1284339937 /nfs/dbraw/zinc/33/99/37/1284339937.db2.gz QKKMCACWFDBSRV-UHFFFAOYSA-N -1 3 357.334 0.769 20 5 FCBDHM CNC(=O)Cn1nc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1C ZINC001591209774 1284339942 /nfs/dbraw/zinc/33/99/42/1284339942.db2.gz QKKMCACWFDBSRV-UHFFFAOYSA-N -1 3 357.334 0.769 20 5 FCBDHM COC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)NC(C)=O ZINC001591283608 1284441047 /nfs/dbraw/zinc/44/10/47/1284441047.db2.gz GRLXBTIKKQJYTN-JTQLQIEISA-N -1 3 366.359 0.545 20 5 FCBDHM COC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)NC(C)=O ZINC001591283608 1284441055 /nfs/dbraw/zinc/44/10/55/1284441055.db2.gz GRLXBTIKKQJYTN-JTQLQIEISA-N -1 3 366.359 0.545 20 5 FCBDHM COC1(c2ccnn2C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591346225 1284483365 /nfs/dbraw/zinc/48/33/65/1284483365.db2.gz FQXJMCSDPQYXBS-UHFFFAOYSA-N -1 3 356.346 0.870 20 5 FCBDHM COC1(c2ccnn2C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591346225 1284483373 /nfs/dbraw/zinc/48/33/73/1284483373.db2.gz FQXJMCSDPQYXBS-UHFFFAOYSA-N -1 3 356.346 0.870 20 5 FCBDHM COCC(=O)NC1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001591366456 1284505590 /nfs/dbraw/zinc/50/55/90/1284505590.db2.gz PKLOOGOGHBZNCD-UHFFFAOYSA-N -1 3 361.362 0.506 20 5 FCBDHM COCC(=O)NC1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001591366456 1284505598 /nfs/dbraw/zinc/50/55/98/1284505598.db2.gz PKLOOGOGHBZNCD-UHFFFAOYSA-N -1 3 361.362 0.506 20 5 FCBDHM COCC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591366015 1284506974 /nfs/dbraw/zinc/50/69/74/1284506974.db2.gz VCBCRRDSIXFXKB-UHFFFAOYSA-N -1 3 361.362 0.066 20 5 FCBDHM COCC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591366015 1284506975 /nfs/dbraw/zinc/50/69/75/1284506975.db2.gz VCBCRRDSIXFXKB-UHFFFAOYSA-N -1 3 361.362 0.066 20 5 FCBDHM COc1ccc(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591609195 1284770921 /nfs/dbraw/zinc/77/09/21/1284770921.db2.gz NYCZSTOPQVLBIH-UHFFFAOYSA-N -1 3 358.318 0.927 20 5 FCBDHM COc1ccc(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591609195 1284770930 /nfs/dbraw/zinc/77/09/30/1284770930.db2.gz NYCZSTOPQVLBIH-UHFFFAOYSA-N -1 3 358.318 0.927 20 5 FCBDHM Cc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cnn1 ZINC001591927504 1285013386 /nfs/dbraw/zinc/01/33/86/1285013386.db2.gz OSZZNLFPIFWGJJ-UHFFFAOYSA-N -1 3 369.345 0.715 20 5 FCBDHM Cc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cnn1 ZINC001591927504 1285013391 /nfs/dbraw/zinc/01/33/91/1285013391.db2.gz OSZZNLFPIFWGJJ-UHFFFAOYSA-N -1 3 369.345 0.715 20 5 FCBDHM Cc1cc(N2CC(n3cc([C@@H](C)O)nn3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592001463 1285051514 /nfs/dbraw/zinc/05/15/14/1285051514.db2.gz XMHGLDCQCLSREE-SECBINFHSA-N -1 3 371.361 0.789 20 5 FCBDHM Cc1cc(N2CC(n3cc([C@@H](C)O)nn3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592001463 1285051527 /nfs/dbraw/zinc/05/15/27/1285051527.db2.gz XMHGLDCQCLSREE-SECBINFHSA-N -1 3 371.361 0.789 20 5 FCBDHM Cc1cc([N+](=O)[O-])cnc1N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001592070596 1285110254 /nfs/dbraw/zinc/11/02/54/1285110254.db2.gz REVJVUBPTHTBAX-UHFFFAOYSA-N -1 3 371.361 0.673 20 5 FCBDHM Cc1cc([N+](=O)[O-])cnc1N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001592070596 1285110264 /nfs/dbraw/zinc/11/02/64/1285110264.db2.gz REVJVUBPTHTBAX-UHFFFAOYSA-N -1 3 371.361 0.673 20 5 FCBDHM Cc1nocc1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592463990 1285404586 /nfs/dbraw/zinc/40/45/86/1285404586.db2.gz NMCBVEUEYYQQEC-UHFFFAOYSA-N -1 3 372.345 0.938 20 5 FCBDHM Cc1nocc1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592463990 1285404590 /nfs/dbraw/zinc/40/45/90/1285404590.db2.gz NMCBVEUEYYQQEC-UHFFFAOYSA-N -1 3 372.345 0.938 20 5 FCBDHM Cn1cc(CN2CCN(c3cnccc3-c3nnn[n-]3)CC2)c([N+](=O)[O-])n1 ZINC001592571742 1285488997 /nfs/dbraw/zinc/48/89/97/1285488997.db2.gz PNGSNOABWDWKJK-UHFFFAOYSA-N -1 3 370.377 0.226 20 5 FCBDHM Cn1cc(CN2CCN(c3cnccc3-c3nn[n-]n3)CC2)c([N+](=O)[O-])n1 ZINC001592571742 1285488999 /nfs/dbraw/zinc/48/89/99/1285488999.db2.gz PNGSNOABWDWKJK-UHFFFAOYSA-N -1 3 370.377 0.226 20 5 FCBDHM Cn1ccc(C(=O)NCCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001592578569 1285498409 /nfs/dbraw/zinc/49/84/09/1285498409.db2.gz YXKWHGIVTHOWOX-UHFFFAOYSA-N -1 3 371.361 0.740 20 5 FCBDHM Cn1ccc(C(=O)NCCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001592578569 1285498416 /nfs/dbraw/zinc/49/84/16/1285498416.db2.gz YXKWHGIVTHOWOX-UHFFFAOYSA-N -1 3 371.361 0.740 20 5 FCBDHM CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001604829430 1287790818 /nfs/dbraw/zinc/79/08/18/1287790818.db2.gz DWOMMLUBGKUDCK-UHFFFAOYSA-N -1 3 364.347 0.334 20 5 FCBDHM CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001604829430 1287790824 /nfs/dbraw/zinc/79/08/24/1287790824.db2.gz DWOMMLUBGKUDCK-UHFFFAOYSA-N -1 3 364.347 0.334 20 5 FCBDHM NC(=O)C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC001592724037 1285629521 /nfs/dbraw/zinc/62/95/21/1285629521.db2.gz AXGOPTVFLNAXSE-LBPRGKRZSA-N -1 3 361.362 0.857 20 5 FCBDHM Nc1nccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1[N+](=O)[O-] ZINC001592761880 1285684329 /nfs/dbraw/zinc/68/43/29/1285684329.db2.gz DBFDAOMXIHVSFZ-UHFFFAOYSA-N -1 3 352.314 0.955 20 5 FCBDHM Nc1nccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1[N+](=O)[O-] ZINC001592761880 1285684335 /nfs/dbraw/zinc/68/43/35/1285684335.db2.gz DBFDAOMXIHVSFZ-UHFFFAOYSA-N -1 3 352.314 0.955 20 5 FCBDHM O=C(Cc1c[nH]cn1)NCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592928698 1285817666 /nfs/dbraw/zinc/81/76/66/1285817666.db2.gz WABQLXVENKKYCM-UHFFFAOYSA-N -1 3 371.361 0.659 20 5 FCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001592941174 1285833013 /nfs/dbraw/zinc/83/30/13/1285833013.db2.gz GSTHBVSMVOTTIX-LLVKDONJSA-N -1 3 355.318 0.170 20 5 FCBDHM O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001592941174 1285833020 /nfs/dbraw/zinc/83/30/20/1285833020.db2.gz GSTHBVSMVOTTIX-LLVKDONJSA-N -1 3 355.318 0.170 20 5 FCBDHM O=C(NC1CC1)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001592968178 1285851857 /nfs/dbraw/zinc/85/18/57/1285851857.db2.gz YNCIRQBOHSFTPR-SNVBAGLBSA-N -1 3 358.362 0.815 20 5 FCBDHM O=C(NCC1CC1)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001593029945 1285913758 /nfs/dbraw/zinc/91/37/58/1285913758.db2.gz ZFGFUAOFVIMGIV-NSHDSACASA-N -1 3 372.389 0.913 20 5 FCBDHM O=C(NCC1CC1)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001593029945 1285913763 /nfs/dbraw/zinc/91/37/63/1285913763.db2.gz ZFGFUAOFVIMGIV-NSHDSACASA-N -1 3 372.389 0.913 20 5 FCBDHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCOC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC001593266152 1286056236 /nfs/dbraw/zinc/05/62/36/1286056236.db2.gz IEJKFPZCGFQHSA-UHFFFAOYSA-N -1 3 374.292 0.893 20 5 FCBDHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCOC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC001593266152 1286056240 /nfs/dbraw/zinc/05/62/40/1286056240.db2.gz IEJKFPZCGFQHSA-UHFFFAOYSA-N -1 3 374.292 0.893 20 5 FCBDHM O=C(OCCn1cnc([N+](=O)[O-])n1)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001593291173 1286065723 /nfs/dbraw/zinc/06/57/23/1286065723.db2.gz AOGWSIVXXITWCI-UHFFFAOYSA-N -1 3 370.329 0.641 20 5 FCBDHM O=C(OCCn1cnc([N+](=O)[O-])n1)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001593291173 1286065726 /nfs/dbraw/zinc/06/57/26/1286065726.db2.gz AOGWSIVXXITWCI-UHFFFAOYSA-N -1 3 370.329 0.641 20 5 FCBDHM O=C1[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CN1c1ccccc1 ZINC001593378019 1286097491 /nfs/dbraw/zinc/09/74/91/1286097491.db2.gz JLBYXEWCYSDVII-LBPRGKRZSA-N -1 3 352.314 0.997 20 5 FCBDHM O=C1[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CN1c1ccccc1 ZINC001593378019 1286097493 /nfs/dbraw/zinc/09/74/93/1286097493.db2.gz JLBYXEWCYSDVII-LBPRGKRZSA-N -1 3 352.314 0.997 20 5 FCBDHM O=C1NCCN1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001593406880 1286130388 /nfs/dbraw/zinc/13/03/88/1286130388.db2.gz CBCXGOVWPQYURE-NSHDSACASA-N -1 3 358.362 0.769 20 5 FCBDHM O=C1NCCN1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001593406880 1286130390 /nfs/dbraw/zinc/13/03/90/1286130390.db2.gz CBCXGOVWPQYURE-NSHDSACASA-N -1 3 358.362 0.769 20 5 FCBDHM O=C1OC[C@]2(CNc3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])COCCN12 ZINC001593413328 1286135222 /nfs/dbraw/zinc/13/52/22/1286135222.db2.gz RTHADRGIOGTZGS-AWEZNQCLSA-N -1 3 361.318 0.408 20 5 FCBDHM O=C1OC[C@]2(CNc3c(-c4nn[n-]n4)cccc3[N+](=O)[O-])COCCN12 ZINC001593413328 1286135224 /nfs/dbraw/zinc/13/52/24/1286135224.db2.gz RTHADRGIOGTZGS-AWEZNQCLSA-N -1 3 361.318 0.408 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCN([C@H]2CCOC2)CC1 ZINC001593468561 1286172614 /nfs/dbraw/zinc/17/26/14/1286172614.db2.gz OIJPNCZBOCKOCL-JTQLQIEISA-N -1 3 363.353 0.825 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCN([C@H]2CCOC2)CC1 ZINC001593468561 1286172617 /nfs/dbraw/zinc/17/26/17/1286172617.db2.gz OIJPNCZBOCKOCL-JTQLQIEISA-N -1 3 363.353 0.825 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001593469355 1286172821 /nfs/dbraw/zinc/17/28/21/1286172821.db2.gz ZGOGQOWKVMCKTF-XCDGKNNNSA-N -1 3 352.326 0.990 20 5 FCBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001593469355 1286172824 /nfs/dbraw/zinc/17/28/24/1286172824.db2.gz ZGOGQOWKVMCKTF-XCDGKNNNSA-N -1 3 352.326 0.990 20 5 FCBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCN(Cc2cn[nH]c2)CC1 ZINC001593467135 1286173074 /nfs/dbraw/zinc/17/30/74/1286173074.db2.gz TYAVEDVNFMECHQ-UHFFFAOYSA-N -1 3 355.362 0.820 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCN(c3ncns3)CC2)c(-c2nnn[n-]2)c1 ZINC001593486230 1286173683 /nfs/dbraw/zinc/17/36/83/1286173683.db2.gz NZIDTMMHYRNAGG-UHFFFAOYSA-N -1 3 360.363 0.348 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CCN(c3ncns3)CC2)c(-c2nn[n-]n2)c1 ZINC001593486230 1286173690 /nfs/dbraw/zinc/17/36/90/1286173690.db2.gz NZIDTMMHYRNAGG-UHFFFAOYSA-N -1 3 360.363 0.348 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CC[C@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001593486240 1286175667 /nfs/dbraw/zinc/17/56/67/1286175667.db2.gz ORLVDPUMYKCXGU-NSHDSACASA-N -1 3 355.318 0.618 20 5 FCBDHM O=[N+]([O-])c1cnc(N2CC[C@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001593486240 1286175670 /nfs/dbraw/zinc/17/56/70/1286175670.db2.gz ORLVDPUMYKCXGU-NSHDSACASA-N -1 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