smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001164823908 720290671 /nfs/dbraw/zinc/29/06/71/720290671.db2.gz QQQNYXWXNPMURH-JKSUJKDBSA-N 1 0 407.902 2.555 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001164823904 720290893 /nfs/dbraw/zinc/29/08/93/720290893.db2.gz QQQNYXWXNPMURH-HOTGVXAUSA-N 1 0 407.902 2.555 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001164822637 720291435 /nfs/dbraw/zinc/29/14/35/720291435.db2.gz NURLFQNSCNLNGJ-DLBZAZTESA-N 1 0 407.902 2.555 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001164819647 720310739 /nfs/dbraw/zinc/31/07/39/720310739.db2.gz FKXQDYFLVYRHHB-JKSUJKDBSA-N 1 0 407.902 2.555 20 5 HFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820508 720310870 /nfs/dbraw/zinc/31/08/70/720310870.db2.gz HHXANXWSJIJOCD-IRXDYDNUSA-N 1 0 421.929 2.863 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001164819644 720310901 /nfs/dbraw/zinc/31/09/01/720310901.db2.gz FKXQDYFLVYRHHB-CVEARBPZSA-N 1 0 407.902 2.555 20 5 HFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825398 720323252 /nfs/dbraw/zinc/32/32/52/720323252.db2.gz DPLXDDJKFNBMLW-QZTJIDSGSA-N 1 0 401.511 2.518 20 5 HFBDRO Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164900156 721510727 /nfs/dbraw/zinc/51/07/27/721510727.db2.gz OSDGJLYNXZJFLC-DZGCQCFKSA-N 1 0 407.833 2.828 20 5 HFBDRO CCOc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164902605 721546252 /nfs/dbraw/zinc/54/62/52/721546252.db2.gz AKZAZHZWEUYWKD-RDJZCZTQSA-N 1 0 402.426 2.870 20 5 HFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000793107838 1078079868 /nfs/dbraw/zinc/07/98/68/1078079868.db2.gz BQGFYGJZDJTAIL-QGZVFWFLSA-N 1 0 420.853 2.614 20 5 HFBDRO COC1CC[NH+](C(C)(C)CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790668402 1078084537 /nfs/dbraw/zinc/08/45/37/1078084537.db2.gz LTXHGROMDMIZRI-UHFFFAOYSA-N 1 0 401.866 2.935 20 5 HFBDRO C[C@H]1C[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[N@@H+]1C ZINC000790771013 1078129210 /nfs/dbraw/zinc/12/92/10/1078129210.db2.gz UBWWQXWDLWCUHP-RYUDHWBXSA-N 1 0 411.300 2.908 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000790826168 1078157752 /nfs/dbraw/zinc/15/77/52/1078157752.db2.gz IMQLXMSOEJAKKW-NWDGAFQWSA-N 1 0 414.484 2.661 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000790871140 1078167292 /nfs/dbraw/zinc/16/72/92/1078167292.db2.gz OPILVCXAXMTOLE-GFCCVEGCSA-N 1 0 414.484 2.663 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790879545 1078169155 /nfs/dbraw/zinc/16/91/55/1078169155.db2.gz GYMBJBAIVOPMTI-RYUDHWBXSA-N 1 0 414.484 2.519 20 5 HFBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000793599490 1078220694 /nfs/dbraw/zinc/22/06/94/1078220694.db2.gz RNVYCPMYAVLWEF-OAQYLSRUSA-N 1 0 407.430 2.628 20 5 HFBDRO CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001129679417 1078643346 /nfs/dbraw/zinc/64/33/46/1078643346.db2.gz NNRBNYHXQOOFLD-UHFFFAOYSA-N 1 0 417.384 2.855 20 5 HFBDRO CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804815666 1078658213 /nfs/dbraw/zinc/65/82/13/1078658213.db2.gz XLAYKIXYGPEGJY-FOSCPWQOSA-N 1 0 407.414 2.950 20 5 HFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000805111319 1078896943 /nfs/dbraw/zinc/89/69/43/1078896943.db2.gz ULNVPXVDUHZKKG-BXUZGUMPSA-N 1 0 418.313 2.605 20 5 HFBDRO COc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC001130122225 1078991836 /nfs/dbraw/zinc/99/18/36/1078991836.db2.gz JUSVIYONYPXEIB-APWZRJJASA-N 1 0 411.458 2.959 20 5 HFBDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc4nc[nH]c4c3[N+](=O)[O-])cc2)CC1 ZINC001170495947 1079392710 /nfs/dbraw/zinc/39/27/10/1079392710.db2.gz GYYQIPGLEIBWAX-WLYUNCDWSA-N 1 0 408.462 2.843 20 5 HFBDRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000787301086 1076748110 /nfs/dbraw/zinc/74/81/10/1076748110.db2.gz ASOBGVDBPYNAFX-KRWDZBQOSA-N 1 0 412.412 2.889 20 5 HFBDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000787808214 1076943543 /nfs/dbraw/zinc/94/35/43/1076943543.db2.gz DLZHCQPSSRYTBR-VIFPVBQESA-N 1 0 406.224 2.661 20 5 HFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000790926289 1077234705 /nfs/dbraw/zinc/23/47/05/1077234705.db2.gz KLOIXJHRTSQCOS-INIZCTEOSA-N 1 0 421.856 2.813 20 5 HFBDRO CN(C)c1cc(F)c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1[N+](=O)[O-] ZINC000791209458 1077345031 /nfs/dbraw/zinc/34/50/31/1077345031.db2.gz PCGDXCKQEXRJKX-UHFFFAOYSA-N 1 0 410.515 2.891 20 5 HFBDRO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000789360933 1077537247 /nfs/dbraw/zinc/53/72/47/1077537247.db2.gz BBSHPKFVMKOQMQ-QAPCUYQASA-N 1 0 415.446 2.984 20 5 HFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000791916576 1077609397 /nfs/dbraw/zinc/60/93/97/1077609397.db2.gz KYNLUYXLAOAKQY-SNVBAGLBSA-N 1 0 405.236 2.660 20 5 HFBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000791981973 1077622358 /nfs/dbraw/zinc/62/23/58/1077622358.db2.gz MBTRPDDQFHUBQL-WMZOPIPTSA-N 1 0 422.441 2.646 20 5 HFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@H]1CN1CCOCC1 ZINC000772797732 1077900968 /nfs/dbraw/zinc/90/09/68/1077900968.db2.gz JBERGQKFUFNEQY-ZBFHGGJFSA-N 1 0 410.902 2.762 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170313696 1077940913 /nfs/dbraw/zinc/94/09/13/1077940913.db2.gz QADACLAHUVASBS-HOCLYGCPSA-N 1 0 409.483 2.760 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170317438 1077941960 /nfs/dbraw/zinc/94/19/60/1077941960.db2.gz IPFKGPYEKVUBPR-HNNXBMFYSA-N 1 0 413.540 2.574 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001170336559 1077947568 /nfs/dbraw/zinc/94/75/68/1077947568.db2.gz ZIENAZYQJMLCAS-QFIXIFRTSA-N 1 0 410.474 2.805 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001170336557 1077947604 /nfs/dbraw/zinc/94/76/04/1077947604.db2.gz ZIENAZYQJMLCAS-NYSBEXSLSA-N 1 0 410.474 2.805 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001170355255 1077949005 /nfs/dbraw/zinc/94/90/05/1077949005.db2.gz YIXHBIGZGPFZNK-CRAIPNDOSA-N 1 0 405.495 2.542 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001170344286 1077954182 /nfs/dbraw/zinc/95/41/82/1077954182.db2.gz YCKUPSNTHDNBFY-CECAUBDESA-N 1 0 413.474 2.957 20 5 HFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000790265509 1077990216 /nfs/dbraw/zinc/99/02/16/1077990216.db2.gz BGJZXCZHSUMFKJ-AWEZNQCLSA-N 1 0 410.902 2.641 20 5 HFBDRO C[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1Cc1ccccc1 ZINC000792943747 1078023080 /nfs/dbraw/zinc/02/30/80/1078023080.db2.gz TWQVZLSGKCJRNQ-GOSISDBHSA-N 1 0 400.454 2.921 20 5 HFBDRO C[NH+]1CCN(CCCOc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC001130741956 1080004768 /nfs/dbraw/zinc/00/47/68/1080004768.db2.gz GFJUQDYRNCXUSI-UHFFFAOYSA-N 1 0 404.492 2.925 20 5 HFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000806855182 1080060139 /nfs/dbraw/zinc/06/01/39/1080060139.db2.gz BJOPNDAMWRLOKI-GFCCVEGCSA-N 1 0 411.300 2.909 20 5 HFBDRO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC001130786708 1080097147 /nfs/dbraw/zinc/09/71/47/1080097147.db2.gz QIPKJLRVJKTVQE-QGZVFWFLSA-N 1 0 420.510 2.953 20 5 HFBDRO CCOC(=O)C1C[NH2+]CC=C1Nc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001170516917 1080242762 /nfs/dbraw/zinc/24/27/62/1080242762.db2.gz KTRBDLABSLVYPX-UHFFFAOYSA-N 1 0 421.251 2.550 20 5 HFBDRO CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])c3nncn3c2)CC[N@H+](Cc2ccccc2)C1 ZINC001170522275 1080533246 /nfs/dbraw/zinc/53/32/46/1080533246.db2.gz GILQULGEHONZQF-UHFFFAOYSA-N 1 0 422.445 2.773 20 5 HFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000807452974 1080632865 /nfs/dbraw/zinc/63/28/65/1080632865.db2.gz BYZIVBFGTDCGDW-YOEHRIQHSA-N 1 0 402.495 2.916 20 5 HFBDRO COC(=O)c1ccc2c(n1)CCCN2C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001130960461 1080640363 /nfs/dbraw/zinc/64/03/63/1080640363.db2.gz IUOKKEGCCCRTGL-UHFFFAOYSA-N 1 0 407.386 2.555 20 5 HFBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2c(C)c([N+](=O)[O-])cc[n+]2[O-])CC3)cs1 ZINC001164691319 719811141 /nfs/dbraw/zinc/81/11/41/719811141.db2.gz FXRSIBWVLOGIDH-UHFFFAOYSA-N 1 0 403.508 2.937 20 5 HFBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)ncc1[N+](=O)[O-])CC2 ZINC001164719459 720113465 /nfs/dbraw/zinc/11/34/65/720113465.db2.gz XGKFAJJXROWJET-SFHVURJKSA-N 1 0 412.494 2.596 20 5 HFBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])c(C)n1)CC2 ZINC001164710380 720151356 /nfs/dbraw/zinc/15/13/56/720151356.db2.gz AFIPUTLVAHACIB-GOSISDBHSA-N 1 0 412.494 2.596 20 5 HFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(/C=C\N(C)C)c([N+](=O)[O-])cn1)C2 ZINC001164814998 720162219 /nfs/dbraw/zinc/16/22/19/720162219.db2.gz GLPIDIZWMWLHSK-QWURRGBTSA-N 1 0 415.538 2.707 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001164820987 720291396 /nfs/dbraw/zinc/29/13/96/720291396.db2.gz INTZUULIMZNSPZ-HOTGVXAUSA-N 1 0 407.902 2.555 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001164820985 720292328 /nfs/dbraw/zinc/29/23/28/720292328.db2.gz INTZUULIMZNSPZ-CVEARBPZSA-N 1 0 407.902 2.555 20 5 HFBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164825311 720309263 /nfs/dbraw/zinc/30/92/63/720309263.db2.gz TUEDYCCPPIASNP-JKSUJKDBSA-N 1 0 421.929 2.863 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001164819645 720311309 /nfs/dbraw/zinc/31/13/09/720311309.db2.gz FKXQDYFLVYRHHB-HOTGVXAUSA-N 1 0 407.902 2.555 20 5 HFBDRO Cc1cc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164733108 720526659 /nfs/dbraw/zinc/52/66/59/720526659.db2.gz ITOKCDNDSSPMHJ-MRXNPFEDSA-N 1 0 407.478 2.755 20 5 HFBDRO COc1ncnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164844436 720690723 /nfs/dbraw/zinc/69/07/23/720690723.db2.gz RZWLXUPXFLYAHP-QGZVFWFLSA-N 1 0 413.478 2.653 20 5 HFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccccc1 ZINC001164746656 720802434 /nfs/dbraw/zinc/80/24/34/720802434.db2.gz MHLTVHBLPJMDPU-MSOLQXFVSA-N 1 0 418.457 2.789 20 5 HFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164744240 720810965 /nfs/dbraw/zinc/81/09/65/720810965.db2.gz IEWCUMMPRDPBRK-UWWQBHOKSA-N 1 0 417.901 2.614 20 5 HFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971417 722113053 /nfs/dbraw/zinc/11/30/53/722113053.db2.gz CKBCMWJAHCIAJA-UWJYYQICSA-N 1 0 420.473 2.660 20 5 HFBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc3cccc([N+](=O)[O-])c3n1)CCC2 ZINC001165000277 722253032 /nfs/dbraw/zinc/25/30/32/722253032.db2.gz NPQUABFJMXFICL-UHFFFAOYSA-N 1 0 410.478 2.828 20 5 HFBDRO C[NH+](C)CCOCc1ncn2c1CN(c1nccc3cc([N+](=O)[O-])ccc31)CCC2 ZINC001165004284 722257866 /nfs/dbraw/zinc/25/78/66/722257866.db2.gz PRAFPZHOEICSIK-UHFFFAOYSA-N 1 0 410.478 2.828 20 5 HFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000793107836 1078079853 /nfs/dbraw/zinc/07/98/53/1078079853.db2.gz BQGFYGJZDJTAIL-KRWDZBQOSA-N 1 0 420.853 2.614 20 5 HFBDRO CC(C)OCC[NH+]1CCC(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790842191 1078143888 /nfs/dbraw/zinc/14/38/88/1078143888.db2.gz DXSBPTWDSRARJH-UHFFFAOYSA-N 1 0 401.866 2.935 20 5 HFBDRO CN1CCN(c2cc[nH+]cc2NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790872043 1078167532 /nfs/dbraw/zinc/16/75/32/1078167532.db2.gz KIPHTKZQICQTLV-UHFFFAOYSA-N 1 0 407.833 2.715 20 5 HFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1=S ZINC000793770845 1078307038 /nfs/dbraw/zinc/30/70/38/1078307038.db2.gz XFLIFZSTKHJYLD-IBGZPJMESA-N 1 0 402.524 2.994 20 5 HFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804527764 1078566341 /nfs/dbraw/zinc/56/63/41/1078566341.db2.gz SUTKVVMGFHAQRQ-KRWDZBQOSA-N 1 0 409.490 2.744 20 5 HFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001129872697 1078569302 /nfs/dbraw/zinc/56/93/02/1078569302.db2.gz NEGBHNHXEBLNQZ-UHFFFAOYSA-N 1 0 410.474 2.531 20 5 HFBDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cccc4ncc([N+](=O)[O-])n43)cc2)CC1 ZINC001170500886 1079487308 /nfs/dbraw/zinc/48/73/08/1079487308.db2.gz SPRQNUWDSGHEQB-QQFBHYJXSA-N 1 0 408.462 2.614 20 5 HFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787357637 1076795386 /nfs/dbraw/zinc/79/53/86/1076795386.db2.gz OFKMNJBCIBYIBU-CQSZACIVSA-N 1 0 422.482 2.921 20 5 HFBDRO COc1cc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)cnc1[N+](=O)[O-] ZINC001170150508 1077341809 /nfs/dbraw/zinc/34/18/09/1077341809.db2.gz XRIKGOSNOJTIPK-UHFFFAOYSA-N 1 0 407.434 2.908 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)cc1[N+](=O)[O-] ZINC000788963515 1077364767 /nfs/dbraw/zinc/36/47/67/1077364767.db2.gz CJPLAFGYFLCSQJ-CZDRUDQFSA-N 1 0 408.451 2.558 20 5 HFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000791592218 1077495133 /nfs/dbraw/zinc/49/51/33/1077495133.db2.gz HWPZEKSMKIBVER-UHFFFAOYSA-N 1 0 404.511 2.768 20 5 HFBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000746802198 1077528819 /nfs/dbraw/zinc/52/88/19/1077528819.db2.gz YQILWFDAKOVZSM-MRXNPFEDSA-N 1 0 401.385 2.987 20 5 HFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000791826790 1077575858 /nfs/dbraw/zinc/57/58/58/1077575858.db2.gz FKJFGXFPGCYDKJ-UTKZUKDTSA-N 1 0 408.458 2.726 20 5 HFBDRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000789557491 1077675980 /nfs/dbraw/zinc/67/59/80/1077675980.db2.gz JAODLWBNCAJZPL-CQSZACIVSA-N 1 0 404.810 2.760 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2Cn3nnc(-c4ccccc4)c3CO2)c([N+](=O)[O-])c1 ZINC001170296200 1077930272 /nfs/dbraw/zinc/93/02/72/1077930272.db2.gz FKOSICRSRNUBLL-BEFAXECRSA-N 1 0 423.473 2.982 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170300297 1077931563 /nfs/dbraw/zinc/93/15/63/1077931563.db2.gz ZAGUNPOGOAGQAH-GOEBONIOSA-N 1 0 409.483 2.760 20 5 HFBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)O1 ZINC001170278889 1077935078 /nfs/dbraw/zinc/93/50/78/1077935078.db2.gz SLPCADWWFXFDAF-MBOZVWFJSA-N 1 0 402.451 2.706 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC001170321341 1077942617 /nfs/dbraw/zinc/94/26/17/1077942617.db2.gz AMSNPWTUUOJWRC-OYRIPWCXSA-N 1 0 405.495 2.730 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c([N+](=O)[O-])c1 ZINC001170324587 1077943807 /nfs/dbraw/zinc/94/38/07/1077943807.db2.gz RCSKEDQYCJDJBF-OAHLLOKOSA-N 1 0 419.503 2.864 20 5 HFBDRO COCCN1CCOC[C@@]2(CCC[N@@H+]([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001170336534 1077947464 /nfs/dbraw/zinc/94/74/64/1077947464.db2.gz YUPNWJSATYUELM-AVRDEDQJSA-N 1 0 421.538 2.595 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001170336556 1077947653 /nfs/dbraw/zinc/94/76/53/1077947653.db2.gz ZIENAZYQJMLCAS-MFMILTCTSA-N 1 0 410.474 2.805 20 5 HFBDRO CCOC(=O)c1nc([C@H]2CCC[NH2+]C2)n([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001170353958 1077948742 /nfs/dbraw/zinc/94/87/42/1077948742.db2.gz GLDLCJJKJLALMB-ZFWWWQNUSA-N 1 0 417.466 2.642 20 5 HFBDRO CCOC(=O)c1nc([C@@H]2CCC[NH2+]C2)n([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001170353955 1077948755 /nfs/dbraw/zinc/94/87/55/1077948755.db2.gz GLDLCJJKJLALMB-UKRRQHHQSA-N 1 0 417.466 2.642 20 5 HFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170358087 1077949599 /nfs/dbraw/zinc/94/95/99/1077949599.db2.gz LBQFATVTLGRUEU-SFHVURJKSA-N 1 0 414.462 2.741 20 5 HFBDRO COc1ccc(C[C@H](C)[NH+]2C[C@@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170343512 1077953897 /nfs/dbraw/zinc/95/38/97/1077953897.db2.gz PMLUHZWGZVFXQN-KFKAGJAMSA-N 1 0 410.474 2.633 20 5 HFBDRO O=C(COc1cc(F)c(Br)cc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000790296452 1077988894 /nfs/dbraw/zinc/98/88/94/1077988894.db2.gz RGHOGUVLRWHETL-UHFFFAOYSA-N 1 0 416.247 2.618 20 5 HFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000790265510 1077990227 /nfs/dbraw/zinc/99/02/27/1077990227.db2.gz BGJZXCZHSUMFKJ-CQSZACIVSA-N 1 0 410.902 2.641 20 5 HFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1F ZINC000790440436 1078032436 /nfs/dbraw/zinc/03/24/36/1078032436.db2.gz YWBADTNWMAXFPD-IBGZPJMESA-N 1 0 400.454 2.761 20 5 HFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001130589005 1079568556 /nfs/dbraw/zinc/56/85/56/1079568556.db2.gz CMMODFBVQPJFFX-MXWKQRLJSA-N 1 0 417.247 2.753 20 5 HFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000747372657 1080286507 /nfs/dbraw/zinc/28/65/07/1080286507.db2.gz BWRLFVJWUIPSIE-CTNYNGJSSA-N 1 0 411.886 2.726 20 5 HFBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000807487457 1080671431 /nfs/dbraw/zinc/67/14/31/1080671431.db2.gz XGCRANTUZZJPKR-OAHLLOKOSA-N 1 0 406.389 2.539 20 5 HFBDRO COc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncc1[N+](=O)[O-] ZINC001164695720 719890493 /nfs/dbraw/zinc/89/04/93/719890493.db2.gz SMWLZEPTCVFWNM-UHFFFAOYSA-N 1 0 404.492 2.931 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001164820068 720292464 /nfs/dbraw/zinc/29/24/64/720292464.db2.gz GRBSXGPGLBSXAS-HOTGVXAUSA-N 1 0 407.902 2.555 20 5 HFBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164825305 720309382 /nfs/dbraw/zinc/30/93/82/720309382.db2.gz TUEDYCCPPIASNP-HOTGVXAUSA-N 1 0 421.929 2.863 20 5 HFBDRO Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164836606 720508770 /nfs/dbraw/zinc/50/87/70/720508770.db2.gz NHAHCBBXVANOCI-BZUAXINKSA-N 1 0 419.917 2.921 20 5 HFBDRO COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164841671 720519669 /nfs/dbraw/zinc/51/96/69/720519669.db2.gz ZJHPOAMJYWMZFM-YESZJQIVSA-N 1 0 400.483 2.573 20 5 HFBDRO COc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164842600 720532362 /nfs/dbraw/zinc/53/23/62/720532362.db2.gz YQSKEICYUPKELL-BRWVUGGUSA-N 1 0 400.483 2.573 20 5 HFBDRO Cc1c(C)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164748232 720833442 /nfs/dbraw/zinc/83/34/42/720833442.db2.gz SRTPLDLORCBDST-CEXWTWQISA-N 1 0 411.510 2.578 20 5 HFBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)CC[C@@H]2C1 ZINC001164856893 720861962 /nfs/dbraw/zinc/86/19/62/720861962.db2.gz PUHPCDWVCFPEAN-RDTXWAMCSA-N 1 0 420.897 2.970 20 5 HFBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@@H]2C1 ZINC001164865022 720888738 /nfs/dbraw/zinc/88/87/38/720888738.db2.gz XXXFACHBZBSSLW-QUCCMNQESA-N 1 0 412.490 2.830 20 5 HFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870587 721073608 /nfs/dbraw/zinc/07/36/08/721073608.db2.gz WISJBHLECJVCFO-HOTGVXAUSA-N 1 0 403.870 2.826 20 5 HFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164772629 721098596 /nfs/dbraw/zinc/09/85/96/721098596.db2.gz VJDGFNFWZCIUSA-OLZOCXBDSA-N 1 0 411.293 2.988 20 5 HFBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001164931429 721885611 /nfs/dbraw/zinc/88/56/11/721885611.db2.gz FEUMRUAFMZCRJI-QZTJIDSGSA-N 1 0 416.913 2.920 20 5 HFBDRO COc1nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)ncc1[N+](=O)[O-] ZINC001164938259 721920209 /nfs/dbraw/zinc/92/02/09/721920209.db2.gz KHKMIAUQCNNIDW-UHFFFAOYSA-N 1 0 413.478 2.573 20 5 HFBDRO CCc1cc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164967802 722076559 /nfs/dbraw/zinc/07/65/59/722076559.db2.gz XBTNCNBSKNBLJN-BGYRXZFFSA-N 1 0 409.490 2.914 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982049 722100718 /nfs/dbraw/zinc/10/07/18/722100718.db2.gz MMJFDQLEIIJXKB-WBVHZDCISA-N 1 0 403.870 2.766 20 5 HFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790558041 1078055566 /nfs/dbraw/zinc/05/55/66/1078055566.db2.gz SHQGXXCTWPAQSE-AWEZNQCLSA-N 1 0 401.866 2.889 20 5 HFBDRO C[C@@H]1C[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[N@@H+]1C ZINC000790771011 1078129174 /nfs/dbraw/zinc/12/91/74/1078129174.db2.gz UBWWQXWDLWCUHP-NEPJUHHUSA-N 1 0 411.300 2.908 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000790837216 1078162855 /nfs/dbraw/zinc/16/28/55/1078162855.db2.gz RZXGWIBLZIANBG-LBPRGKRZSA-N 1 0 414.484 2.519 20 5 HFBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000790890471 1078172984 /nfs/dbraw/zinc/17/29/84/1078172984.db2.gz VSUQBAJWMDDIAM-HNNXBMFYSA-N 1 0 412.893 2.557 20 5 HFBDRO Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC001170434022 1078201557 /nfs/dbraw/zinc/20/15/57/1078201557.db2.gz DGYOEZZIYXWEGM-KRWDZBQOSA-N 1 0 413.478 2.553 20 5 HFBDRO CSC1(CNC(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)CC[NH+](C)CC1 ZINC001129524523 1078534672 /nfs/dbraw/zinc/53/46/72/1078534672.db2.gz SDKPBUGZFVHMDV-UHFFFAOYSA-N 1 0 417.535 2.705 20 5 HFBDRO O=C(NCc1ccc2c[nH+]cn2c1)c1cc([N+](=O)[O-])ccc1I ZINC001129665290 1078625459 /nfs/dbraw/zinc/62/54/59/1078625459.db2.gz ABIYSUNSVYUVMA-UHFFFAOYSA-N 1 0 422.182 2.777 20 5 HFBDRO COc1cc(F)c([N+](=O)[O-])c(NCCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000747215883 1078643773 /nfs/dbraw/zinc/64/37/73/1078643773.db2.gz JGFXTNVAIUOYJX-UHFFFAOYSA-N 1 0 404.446 2.547 20 5 HFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804852812 1078721367 /nfs/dbraw/zinc/72/13/67/1078721367.db2.gz OEGYXJKZQSTIRZ-AAEUAGOBSA-N 1 0 407.414 2.951 20 5 HFBDRO NC(=O)c1ccc(NCCOC(=O)c2cccc(C[NH+]3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000805884310 1079338299 /nfs/dbraw/zinc/33/82/99/1079338299.db2.gz RNJWPUOELKHMNP-UHFFFAOYSA-N 1 0 412.446 2.558 20 5 HFBDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC000787809831 1076966052 /nfs/dbraw/zinc/96/60/52/1076966052.db2.gz QZQZANUJGAXNPD-SNVBAGLBSA-N 1 0 418.235 2.615 20 5 HFBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790922058 1077232577 /nfs/dbraw/zinc/23/25/77/1077232577.db2.gz LJPOZRYTKXYGAY-UHFFFAOYSA-N 1 0 408.817 2.729 20 5 HFBDRO CS[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000790930127 1077237727 /nfs/dbraw/zinc/23/77/27/1077237727.db2.gz KBOYMCRXPWEWQC-HZPDHXFCSA-N 1 0 401.891 2.968 20 5 HFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000788918884 1077355288 /nfs/dbraw/zinc/35/52/88/1077355288.db2.gz XFNBDWQQEBMZJC-UHFFFAOYSA-N 1 0 420.329 2.854 20 5 HFBDRO COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[NH+]1CCCC1 ZINC000791298115 1077360840 /nfs/dbraw/zinc/36/08/40/1077360840.db2.gz AEWCVUCLICSKPT-GOSISDBHSA-N 1 0 402.426 2.892 20 5 HFBDRO COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[NH+]1CCCC1 ZINC000791298117 1077360922 /nfs/dbraw/zinc/36/09/22/1077360922.db2.gz AEWCVUCLICSKPT-SFHVURJKSA-N 1 0 402.426 2.892 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)cc1[N+](=O)[O-] ZINC000788963625 1077364541 /nfs/dbraw/zinc/36/45/41/1077364541.db2.gz DETCBOWXQKZJNH-INIZCTEOSA-N 1 0 408.451 2.702 20 5 HFBDRO CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791624662 1077491688 /nfs/dbraw/zinc/49/16/88/1077491688.db2.gz ODFOGCKZIIASFM-SFHVURJKSA-N 1 0 420.901 2.559 20 5 HFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000791822936 1077574094 /nfs/dbraw/zinc/57/40/94/1077574094.db2.gz AGKKNXMQQBXRKI-UHFFFAOYSA-N 1 0 414.300 2.930 20 5 HFBDRO COc1cc([N+](=O)[O-])c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)cc1SC ZINC000791840881 1077581312 /nfs/dbraw/zinc/58/13/12/1077581312.db2.gz AISUNIWRCIASQG-UHFFFAOYSA-N 1 0 411.524 2.898 20 5 HFBDRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000790023090 1077917316 /nfs/dbraw/zinc/91/73/16/1077917316.db2.gz UGFSKFZKNOAILO-UHFFFAOYSA-N 1 0 416.887 2.699 20 5 HFBDRO COc1ccc(C[C@H](C)n2cc(Br)ccc2=NCC[NH3+])c([N+](=O)[O-])c1 ZINC001170317319 1077941872 /nfs/dbraw/zinc/94/18/72/1077941872.db2.gz FUZYTUFCFLLQMO-LBPRGKRZSA-N 1 0 409.284 2.831 20 5 HFBDRO C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC001170332912 1077945701 /nfs/dbraw/zinc/94/57/01/1077945701.db2.gz IXBDIAZTBXJQLG-SFHVURJKSA-N 1 0 408.502 2.938 20 5 HFBDRO COC(=O)[C@H]1CCC[N@@H+](C2CCN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)C1 ZINC001170355301 1077948964 /nfs/dbraw/zinc/94/89/64/1077948964.db2.gz ZHVBQNGGUDCIBX-AEFFLSMTSA-N 1 0 419.522 2.884 20 5 HFBDRO COC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)C1 ZINC001170355303 1077948977 /nfs/dbraw/zinc/94/89/77/1077948977.db2.gz ZHVBQNGGUDCIBX-SJLPKXTDSA-N 1 0 419.522 2.884 20 5 HFBDRO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000790437641 1078030845 /nfs/dbraw/zinc/03/08/45/1078030845.db2.gz GZXLSEYIEOKKIT-UHFFFAOYSA-N 1 0 411.505 2.608 20 5 HFBDRO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@@H](C)C[N@@H+]1C ZINC001130589409 1079569628 /nfs/dbraw/zinc/56/96/28/1079569628.db2.gz IURYXIOEHOUBFC-AXFHLTTASA-N 1 0 417.247 2.753 20 5 HFBDRO COc1cc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001130733201 1079971453 /nfs/dbraw/zinc/97/14/53/1079971453.db2.gz MAVIGIHOXUYEEO-WOJBJXKFSA-N 1 0 411.458 2.719 20 5 HFBDRO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001130733566 1079973087 /nfs/dbraw/zinc/97/30/87/1079973087.db2.gz SZDYIMMCJMIVJI-PMACEKPBSA-N 1 0 417.412 2.989 20 5 HFBDRO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001130733569 1079973135 /nfs/dbraw/zinc/97/31/35/1079973135.db2.gz SZDYIMMCJMIVJI-WOJBJXKFSA-N 1 0 417.412 2.989 20 5 HFBDRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001130730070 1080000291 /nfs/dbraw/zinc/00/02/91/1080000291.db2.gz HSKRHFQDVUFAQJ-UHFFFAOYSA-N 1 0 419.263 2.907 20 5 HFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000807452968 1080632725 /nfs/dbraw/zinc/63/27/25/1080632725.db2.gz BYZIVBFGTDCGDW-PBHICJAKSA-N 1 0 402.495 2.916 20 5 HFBDRO Cc1ccc(-c2nc3sccc3c(N3CCN4CC[NH2+]C[C@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164408042 718839905 /nfs/dbraw/zinc/83/99/05/718839905.db2.gz XVGKCFKEQRHXGV-HNNXBMFYSA-N 1 0 410.503 2.669 20 5 HFBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)cnc2Cl)c1 ZINC001164408682 718855124 /nfs/dbraw/zinc/85/51/24/718855124.db2.gz SGJCHZADFFPMJZ-KSSFIOAISA-N 1 0 424.835 2.873 20 5 HFBDRO CC(C)N(C)Cc1nn(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)c2c1CC[NH2+]C2 ZINC001164683446 719615769 /nfs/dbraw/zinc/61/57/69/719615769.db2.gz JBOILEHBBJKMIG-UHFFFAOYSA-N 1 0 414.844 2.923 20 5 HFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164839090 720518783 /nfs/dbraw/zinc/51/87/83/720518783.db2.gz SRDIZPVLGVSCBQ-ARFHVFGLSA-N 1 0 419.917 2.921 20 5 HFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164839095 720518930 /nfs/dbraw/zinc/51/89/30/720518930.db2.gz SRDIZPVLGVSCBQ-OWCLPIDISA-N 1 0 419.917 2.921 20 5 HFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164744239 720810830 /nfs/dbraw/zinc/81/08/30/720810830.db2.gz IEWCUMMPRDPBRK-QILLFSRXSA-N 1 0 417.901 2.614 20 5 HFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749588 720832698 /nfs/dbraw/zinc/83/26/98/720832698.db2.gz WKKHEJCOHFHUOO-CEXWTWQISA-N 1 0 411.510 2.578 20 5 HFBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]2C1 ZINC001164853723 720843798 /nfs/dbraw/zinc/84/37/98/720843798.db2.gz OSXVMRDVWYWJJQ-OXQOHEQNSA-N 1 0 400.479 2.625 20 5 HFBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1Cl ZINC001164888342 721401448 /nfs/dbraw/zinc/40/14/48/721401448.db2.gz OIWIBKNGHOCMIV-UZLBHIALSA-N 1 0 423.945 2.717 20 5 HFBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791528 721495353 /nfs/dbraw/zinc/49/53/53/721495353.db2.gz CXTVRDZPZSRZEM-UHFFFAOYSA-N 1 0 412.494 2.978 20 5 HFBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H]2CCCO[C@H]12 ZINC001164809901 721563337 /nfs/dbraw/zinc/56/33/37/721563337.db2.gz YAHCURONFUXHQQ-BLIXFSHQSA-N 1 0 408.462 2.734 20 5 HFBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906487 721721290 /nfs/dbraw/zinc/72/12/90/721721290.db2.gz MIVQDWWTFCBYBS-GOSISDBHSA-N 1 0 404.421 2.705 20 5 HFBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019697 721812470 /nfs/dbraw/zinc/81/24/70/721812470.db2.gz BLLLPPVPQIZLAF-RYQLBKOJSA-N 1 0 412.494 2.834 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979789 722110807 /nfs/dbraw/zinc/11/08/07/722110807.db2.gz QARZBAIMOHEPJE-NVXWUHKLSA-N 1 0 403.870 2.766 20 5 HFBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc3c(cccc3[N+](=O)[O-])n1)CCC2 ZINC001164999864 722253101 /nfs/dbraw/zinc/25/31/01/722253101.db2.gz HKXBGUWWYBDINI-UHFFFAOYSA-N 1 0 410.478 2.828 20 5 HFBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000793038215 1078053714 /nfs/dbraw/zinc/05/37/14/1078053714.db2.gz DANKJGYASRHCPT-MRXNPFEDSA-N 1 0 402.495 2.918 20 5 HFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790558042 1078055591 /nfs/dbraw/zinc/05/55/91/1078055591.db2.gz SHQGXXCTWPAQSE-CQSZACIVSA-N 1 0 401.866 2.889 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000790829242 1078159036 /nfs/dbraw/zinc/15/90/36/1078159036.db2.gz VIPIBIKJRNRSAI-UHFFFAOYSA-N 1 0 414.484 2.663 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000790836543 1078162107 /nfs/dbraw/zinc/16/21/07/1078162107.db2.gz UHUJWLYFLWCWDH-UHFFFAOYSA-N 1 0 414.484 2.661 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790879547 1078169097 /nfs/dbraw/zinc/16/90/97/1078169097.db2.gz GYMBJBAIVOPMTI-VXGBXAGGSA-N 1 0 414.484 2.519 20 5 HFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170435604 1078213793 /nfs/dbraw/zinc/21/37/93/1078213793.db2.gz RDAJYTCYUIZRAV-KXBFYZLASA-N 1 0 413.478 2.552 20 5 HFBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000794343758 1078420904 /nfs/dbraw/zinc/42/09/04/1078420904.db2.gz LAIKVZIJCJVSJK-UHFFFAOYSA-N 1 0 411.462 2.561 20 5 HFBDRO O=[N+]([O-])c1c(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc2ccccn21 ZINC000804808462 1078637546 /nfs/dbraw/zinc/63/75/46/1078637546.db2.gz USOMJWVRCHSEMR-IBGZPJMESA-N 1 0 406.490 2.639 20 5 HFBDRO COCC[NH+](CCOC)C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000804819440 1078660672 /nfs/dbraw/zinc/66/06/72/1078660672.db2.gz UMQOVMVWGUGADE-UHFFFAOYSA-N 1 0 416.316 2.921 20 5 HFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804852815 1078721352 /nfs/dbraw/zinc/72/13/52/1078721352.db2.gz OEGYXJKZQSTIRZ-YPMHNXCESA-N 1 0 407.414 2.951 20 5 HFBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787307505 1076755019 /nfs/dbraw/zinc/75/50/19/1076755019.db2.gz PQQHPKOVLWZRGD-OALUTQOASA-N 1 0 406.552 2.897 20 5 HFBDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000788502256 1077183752 /nfs/dbraw/zinc/18/37/52/1077183752.db2.gz IOLKWNRZPVQCGM-YCRPNKLZSA-N 1 0 400.479 2.910 20 5 HFBDRO COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[NH+](C)C)c1 ZINC000791196123 1077320759 /nfs/dbraw/zinc/32/07/59/1077320759.db2.gz BZDJKZPCAHHMOU-LJQANCHMSA-N 1 0 404.442 2.841 20 5 HFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788813489 1077321227 /nfs/dbraw/zinc/32/12/27/1077321227.db2.gz IBGUYEWBBFAOSE-SNVBAGLBSA-N 1 0 416.862 2.599 20 5 HFBDRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788814265 1077321652 /nfs/dbraw/zinc/32/16/52/1077321652.db2.gz KUPORGFGSXOKRD-GFCCVEGCSA-N 1 0 412.899 2.850 20 5 HFBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cc2)CC1 ZINC000791322878 1077373518 /nfs/dbraw/zinc/37/35/18/1077373518.db2.gz OPQTYXJBWQXTCW-UHFFFAOYSA-N 1 0 401.442 2.706 20 5 HFBDRO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000789360937 1077537321 /nfs/dbraw/zinc/53/73/21/1077537321.db2.gz BBSHPKFVMKOQMQ-YJBOKZPZSA-N 1 0 415.446 2.984 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])c1 ZINC001170296233 1077930562 /nfs/dbraw/zinc/93/05/62/1077930562.db2.gz FVGVMJIDUKUNSK-WDUKFBBWSA-N 1 0 421.494 2.902 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c([N+](=O)[O-])c1 ZINC001170300432 1077931717 /nfs/dbraw/zinc/93/17/17/1077931717.db2.gz ZXJLJJRUFPWBFS-YOEHRIQHSA-N 1 0 409.483 2.760 20 5 HFBDRO COc1ccc(C[C@@H](C)N(CC(C)(C)[NH3+])S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170313586 1077940900 /nfs/dbraw/zinc/94/09/00/1077940900.db2.gz PFHVLRPCCXXVLB-OAHLLOKOSA-N 1 0 421.519 2.963 20 5 HFBDRO O=[N+]([O-])c1c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ncnc1N1CCOCC1 ZINC001170330770 1077945002 /nfs/dbraw/zinc/94/50/02/1077945002.db2.gz FXIYBLNQKAODGB-LDLYASANSA-N 1 0 424.505 2.829 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(OCC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170355846 1077949260 /nfs/dbraw/zinc/94/92/60/1077949260.db2.gz RBWTXSRFSMYBRM-MRXNPFEDSA-N 1 0 405.495 2.638 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170343513 1077953944 /nfs/dbraw/zinc/95/39/44/1077953944.db2.gz PMLUHZWGZVFXQN-LZQZEXGQSA-N 1 0 410.474 2.633 20 5 HFBDRO C[C@@H]1[C@H](C)N(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC001130589002 1079568570 /nfs/dbraw/zinc/56/85/70/1079568570.db2.gz CMMODFBVQPJFFX-AXFHLTTASA-N 1 0 417.247 2.753 20 5 HFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000747375816 1080361932 /nfs/dbraw/zinc/36/19/32/1080361932.db2.gz QULCRKZENMOARO-TYCQWZJGSA-N 1 0 416.522 2.909 20 5 HFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000807355668 1080518097 /nfs/dbraw/zinc/51/80/97/1080518097.db2.gz UFCGSOYJWAUKON-ZBFHGGJFSA-N 1 0 402.495 2.916 20 5 HFBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000807544346 1080759197 /nfs/dbraw/zinc/75/91/97/1080759197.db2.gz QARWMCHJRFGQAE-PBHICJAKSA-N 1 0 414.437 2.760 20 5 HFBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@@H]4C3)cnc2Cl)c1 ZINC001164399673 718844564 /nfs/dbraw/zinc/84/45/64/718844564.db2.gz DIMPAFQXVYPCIB-MRXNPFEDSA-N 1 0 423.851 2.949 20 5 HFBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@]4(CO)C3)cnc2Cl)c1 ZINC001164408683 718855222 /nfs/dbraw/zinc/85/52/22/718855222.db2.gz SGJCHZADFFPMJZ-RDTXWAMCSA-N 1 0 424.835 2.873 20 5 HFBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])CC[C@@H]21 ZINC001164832430 720509081 /nfs/dbraw/zinc/50/90/81/720509081.db2.gz AQBZNKHBFSPOMW-KKUMJFAQSA-N 1 0 405.890 2.613 20 5 HFBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001164732236 720509856 /nfs/dbraw/zinc/50/98/56/720509856.db2.gz TZMKUFWJLFBENC-NSHDSACASA-N 1 0 400.817 2.583 20 5 HFBDRO COc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001164835435 720536767 /nfs/dbraw/zinc/53/67/67/720536767.db2.gz HJFUTQAYIXDVED-XYJFISCASA-N 1 0 400.483 2.573 20 5 HFBDRO COc1cc(C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164842953 720536804 /nfs/dbraw/zinc/53/68/04/720536804.db2.gz ZFCOPEXBEFVMBF-FGTMMUONSA-N 1 0 414.510 2.881 20 5 HFBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nn2)cc1 ZINC001164736349 720581962 /nfs/dbraw/zinc/58/19/62/720581962.db2.gz JUVQECCKMUKLRL-UHFFFAOYSA-N 1 0 419.489 2.907 20 5 HFBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164862945 720889467 /nfs/dbraw/zinc/88/94/67/720889467.db2.gz SDBDLLNQCMMIMT-DNVCBOLYSA-N 1 0 420.897 2.970 20 5 HFBDRO Cc1cn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000772829100 1078100772 /nfs/dbraw/zinc/10/07/72/1078100772.db2.gz RGRDNTNQQQRTTR-PKOBYXMFSA-N 1 0 411.506 2.762 20 5 HFBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001129808475 1078506125 /nfs/dbraw/zinc/50/61/25/1078506125.db2.gz VYZDPXGJGOVXRP-UHFFFAOYSA-N 1 0 402.417 2.760 20 5 HFBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000747207813 1078512248 /nfs/dbraw/zinc/51/22/48/1078512248.db2.gz OQAKMNWLNRBWJL-UHFFFAOYSA-N 1 0 404.511 2.560 20 5 HFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804808517 1078637461 /nfs/dbraw/zinc/63/74/61/1078637461.db2.gz IPCGITXVGABPQF-GOSISDBHSA-N 1 0 411.462 2.900 20 5 HFBDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000805774965 1079248389 /nfs/dbraw/zinc/24/83/89/1079248389.db2.gz WQGWCMJKLJWIRJ-MRXNPFEDSA-N 1 0 420.466 2.884 20 5 HFBDRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000805765672 1079266046 /nfs/dbraw/zinc/26/60/46/1079266046.db2.gz XLTBXQCTKYAZDB-INIZCTEOSA-N 1 0 406.483 2.963 20 5 HFBDRO [NH3+]CCN(c1ccnc2c1cccc2[N+](=O)[O-])S(=O)(=O)c1cccc2cnccc21 ZINC001170074892 1076873522 /nfs/dbraw/zinc/87/35/22/1076873522.db2.gz MATBRHIZYSRDPE-UHFFFAOYSA-N 1 0 423.454 2.845 20 5 HFBDRO Cc1cnc2c(N(CC[NH3+])c3ncnc(Cl)c3[N+](=O)[O-])nc3ccc(C)cc3n12 ZINC001170147426 1077271873 /nfs/dbraw/zinc/27/18/73/1077271873.db2.gz YVCVPLBPKASZRL-UHFFFAOYSA-N 1 0 412.841 2.948 20 5 HFBDRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788814267 1077321489 /nfs/dbraw/zinc/32/14/89/1077321489.db2.gz KUPORGFGSXOKRD-LBPRGKRZSA-N 1 0 412.899 2.850 20 5 HFBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cc2)CC1 ZINC000791296188 1077360562 /nfs/dbraw/zinc/36/05/62/1077360562.db2.gz YCFZNWIDBUTVRH-UHFFFAOYSA-N 1 0 417.437 2.902 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1[N+](=O)[O-] ZINC000788960504 1077363652 /nfs/dbraw/zinc/36/36/52/1077363652.db2.gz OXUVFMNUQUIUCB-CYBMUJFWSA-N 1 0 413.430 2.516 20 5 HFBDRO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(c2cnccn2)CC1 ZINC000789370933 1077542208 /nfs/dbraw/zinc/54/22/08/1077542208.db2.gz ITVWTUFSIOLCND-UHFFFAOYSA-N 1 0 404.858 2.578 20 5 HFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000791932453 1077598271 /nfs/dbraw/zinc/59/82/71/1077598271.db2.gz VLSVIDOYUXCXOQ-UHFFFAOYSA-N 1 0 414.300 2.930 20 5 HFBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940453 1077600456 /nfs/dbraw/zinc/60/04/56/1077600456.db2.gz TUFBOYDOZANOHT-KDURUIRLSA-N 1 0 405.458 2.535 20 5 HFBDRO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940415 1077600497 /nfs/dbraw/zinc/60/04/97/1077600497.db2.gz SDSVOSFUUAYCHT-KGVIQGDOSA-N 1 0 420.469 2.678 20 5 HFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000789513115 1077604720 /nfs/dbraw/zinc/60/47/20/1077604720.db2.gz GPNSXZUJZCTJNQ-DOTOQJQBSA-N 1 0 404.419 2.828 20 5 HFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000789513116 1077604796 /nfs/dbraw/zinc/60/47/96/1077604796.db2.gz GPNSXZUJZCTJNQ-NVXWUHKLSA-N 1 0 404.419 2.828 20 5 HFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC000791909634 1077606013 /nfs/dbraw/zinc/60/60/13/1077606013.db2.gz XVQPPQUKVOXSRB-SNVBAGLBSA-N 1 0 405.236 2.660 20 5 HFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000792367798 1077818175 /nfs/dbraw/zinc/81/81/75/1077818175.db2.gz HWHZHAJXFRTQSS-OAHLLOKOSA-N 1 0 416.865 2.825 20 5 HFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000792485352 1077878418 /nfs/dbraw/zinc/87/84/18/1077878418.db2.gz XVRCXVHVFIIPGM-CQSZACIVSA-N 1 0 401.282 2.947 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c([N+](=O)[O-])c1 ZINC001170294567 1077929511 /nfs/dbraw/zinc/92/95/11/1077929511.db2.gz AXUSCYINZKZHBV-VVHMCBODSA-N 1 0 421.494 2.758 20 5 HFBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)O1 ZINC001170278888 1077935121 /nfs/dbraw/zinc/93/51/21/1077935121.db2.gz SLPCADWWFXFDAF-HLIPFELVSA-N 1 0 402.451 2.706 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccnc(OCC3CCOCC3)n2)c([N+](=O)[O-])c1 ZINC001170322408 1077943299 /nfs/dbraw/zinc/94/32/99/1077943299.db2.gz GCNPSEHSAKRAJU-HNNXBMFYSA-N 1 0 416.478 2.920 20 5 HFBDRO C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC001170332910 1077945669 /nfs/dbraw/zinc/94/56/69/1077945669.db2.gz IXBDIAZTBXJQLG-GOSISDBHSA-N 1 0 408.502 2.938 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170336373 1077947444 /nfs/dbraw/zinc/94/74/44/1077947444.db2.gz XDAMHEDDXNQODY-LXGVVRJTSA-N 1 0 417.506 2.636 20 5 HFBDRO CCOC(=O)c1nc([C@@H]2CCC[NH2+]C2)n([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001170353951 1077948712 /nfs/dbraw/zinc/94/87/12/1077948712.db2.gz GLDLCJJKJLALMB-DZGCQCFKSA-N 1 0 417.466 2.642 20 5 HFBDRO COC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)C1 ZINC001170355302 1077948903 /nfs/dbraw/zinc/94/89/03/1077948903.db2.gz ZHVBQNGGUDCIBX-FUHWJXTLSA-N 1 0 419.522 2.884 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170338844 1077952068 /nfs/dbraw/zinc/95/20/68/1077952068.db2.gz DMNMYHGGHFNNPH-QSFXBCCZSA-N 1 0 410.474 2.520 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCn3cnc(Cn4cccn4)c3C2)c([N+](=O)[O-])c1 ZINC001170342033 1077953681 /nfs/dbraw/zinc/95/36/81/1077953681.db2.gz LNQMBUVPJADONB-MRXNPFEDSA-N 1 0 410.478 2.882 20 5 HFBDRO COc1ccc(C[C@@H](C)N(c2cc(OC)ncn2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001170351158 1077956139 /nfs/dbraw/zinc/95/61/39/1077956139.db2.gz AEDVEUWUAPYUQY-CQSZACIVSA-N 1 0 401.467 2.592 20 5 HFBDRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000792976977 1078031064 /nfs/dbraw/zinc/03/10/64/1078031064.db2.gz HACFNJAMEZBKAL-INIZCTEOSA-N 1 0 409.483 2.714 20 5 HFBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000772824742 1078039682 /nfs/dbraw/zinc/03/96/82/1078039682.db2.gz CBSCKJRSURNORZ-LAUBAEHRSA-N 1 0 409.490 2.725 20 5 HFBDRO COc1cc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001130733200 1079971390 /nfs/dbraw/zinc/97/13/90/1079971390.db2.gz MAVIGIHOXUYEEO-VQTJNVASSA-N 1 0 411.458 2.719 20 5 HFBDRO CC(C)C[N@H+](C)CCCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC001130729584 1079999995 /nfs/dbraw/zinc/99/99/95/1079999995.db2.gz CWZIQHFIAWGQNJ-UHFFFAOYSA-N 1 0 415.332 2.888 20 5 HFBDRO COc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505596226 1126095335 /nfs/dbraw/zinc/09/53/35/1126095335.db2.gz KXTMAYDMVQMGGY-UHFFFAOYSA-N 1 0 408.401 2.867 20 5 HFBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)cnc2Cl)c1 ZINC001164408681 718855070 /nfs/dbraw/zinc/85/50/70/718855070.db2.gz SGJCHZADFFPMJZ-KDOFPFPSSA-N 1 0 424.835 2.873 20 5 HFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c(OCC)n3)CC2)CC1 ZINC001164616953 719029974 /nfs/dbraw/zinc/02/99/74/719029974.db2.gz FSQNUHGXVMCNMI-UHFFFAOYSA-N 1 0 406.483 2.632 20 5 HFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)C2 ZINC001164815000 720162812 /nfs/dbraw/zinc/16/28/12/720162812.db2.gz GLPIDIZWMWLHSK-WVDRJWPYSA-N 1 0 415.538 2.707 20 5 HFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)C2 ZINC001164814999 720163384 /nfs/dbraw/zinc/16/33/84/720163384.db2.gz GLPIDIZWMWLHSK-UDNXBLAOSA-N 1 0 415.538 2.707 20 5 HFBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c(cccc3[N+](=O)[O-])n1)CCC2 ZINC001164813554 720222690 /nfs/dbraw/zinc/22/26/90/720222690.db2.gz PAGXNKGRCRGNAB-UHFFFAOYSA-N 1 0 422.489 2.950 20 5 HFBDRO Cc1cc(Cl)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164819231 720308271 /nfs/dbraw/zinc/30/82/71/720308271.db2.gz CYKYPJSHFPBAKW-CVEARBPZSA-N 1 0 421.929 2.863 20 5 HFBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C1 ZINC001164735287 720535048 /nfs/dbraw/zinc/53/50/48/720535048.db2.gz NYIKHEOWUMUQDW-GFCCVEGCSA-N 1 0 401.858 2.586 20 5 HFBDRO COc1cc(C)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164842962 720536531 /nfs/dbraw/zinc/53/65/31/720536531.db2.gz ZFCOPEXBEFVMBF-KZNAEPCWSA-N 1 0 414.510 2.881 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744120 720811602 /nfs/dbraw/zinc/81/16/02/720811602.db2.gz HKUOQRYBMRAOOD-DJIMGWMZSA-N 1 0 417.901 2.614 20 5 HFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749600 720833082 /nfs/dbraw/zinc/83/30/82/720833082.db2.gz WKKHEJCOHFHUOO-IPMKNSEASA-N 1 0 411.510 2.578 20 5 HFBDRO Cc1c(C)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164748244 720833691 /nfs/dbraw/zinc/83/36/91/720833691.db2.gz SRTPLDLORCBDST-IPMKNSEASA-N 1 0 411.510 2.578 20 5 HFBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@@H]2C1 ZINC001164865024 720888982 /nfs/dbraw/zinc/88/89/82/720888982.db2.gz XXXFACHBZBSSLW-UYAOXDASSA-N 1 0 412.490 2.830 20 5 HFBDRO CCOC(=O)c1ccnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164856537 721014920 /nfs/dbraw/zinc/01/49/20/721014920.db2.gz AYMTZHUSECIQCW-CQSZACIVSA-N 1 0 416.482 2.784 20 5 HFBDRO Cc1cc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164866837 721072808 /nfs/dbraw/zinc/07/28/08/721072808.db2.gz GFZPKOVLPWBYJQ-JKSUJKDBSA-N 1 0 403.870 2.826 20 5 HFBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001164786877 721453951 /nfs/dbraw/zinc/45/39/51/721453951.db2.gz OHKAIGSZMXKTCQ-SFHVURJKSA-N 1 0 404.511 2.724 20 5 HFBDRO Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164900162 721511074 /nfs/dbraw/zinc/51/10/74/721511074.db2.gz OSDGJLYNXZJFLC-HIFRSBDPSA-N 1 0 407.833 2.828 20 5 HFBDRO Nc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164906800 721711542 /nfs/dbraw/zinc/71/15/42/721711542.db2.gz OKVMWTPUHVFQIA-GOSISDBHSA-N 1 0 404.421 2.705 20 5 HFBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906489 721721716 /nfs/dbraw/zinc/72/17/16/721721716.db2.gz MIVQDWWTFCBYBS-SFHVURJKSA-N 1 0 404.421 2.705 20 5 HFBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001165023088 721841518 /nfs/dbraw/zinc/84/15/18/721841518.db2.gz XCIRIEINSZEVQF-UHFFFAOYSA-N 1 0 401.467 2.690 20 5 HFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961926 722052540 /nfs/dbraw/zinc/05/25/40/722052540.db2.gz YXSIAWVNWXHGFL-UHFFFAOYSA-N 1 0 418.885 2.552 20 5 HFBDRO COc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ccc1[N+](=O)[O-] ZINC001164959514 722053985 /nfs/dbraw/zinc/05/39/85/722053985.db2.gz LRKBFWSBEAHMGI-UHFFFAOYSA-N 1 0 413.478 2.512 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978381 722101325 /nfs/dbraw/zinc/10/13/25/722101325.db2.gz GTGYGWPLYDCWDK-MAUKXSAKSA-N 1 0 403.870 2.766 20 5 HFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164973176 722112380 /nfs/dbraw/zinc/11/23/80/722112380.db2.gz GTEBHMPFDURTHC-LAUBAEHRSA-N 1 0 420.473 2.660 20 5 HFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971416 722112845 /nfs/dbraw/zinc/11/28/45/722112845.db2.gz CKBCMWJAHCIAJA-UTKZUKDTSA-N 1 0 420.473 2.660 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000790633722 1078070016 /nfs/dbraw/zinc/07/00/16/1078070016.db2.gz FTUBCIUDMJQCCN-UHFFFAOYSA-N 1 0 408.436 2.982 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000790824061 1078157208 /nfs/dbraw/zinc/15/72/08/1078157208.db2.gz IWIMPIYTGCMFMQ-LBPRGKRZSA-N 1 0 414.484 2.663 20 5 HFBDRO CCOc1cc(N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000794044180 1078364920 /nfs/dbraw/zinc/36/49/20/1078364920.db2.gz PNHKGTLYIAUSDG-UHFFFAOYSA-N 1 0 404.511 2.908 20 5 HFBDRO C[NH+](C)C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000794051433 1078366164 /nfs/dbraw/zinc/36/61/64/1078366164.db2.gz PUXHZUNXTDLQMW-OAHLLOKOSA-N 1 0 420.447 2.575 20 5 HFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000804868752 1078692319 /nfs/dbraw/zinc/69/23/19/1078692319.db2.gz CZKFVOQFSMWAHS-IBGZPJMESA-N 1 0 400.435 2.661 20 5 HFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000747227363 1078868905 /nfs/dbraw/zinc/86/89/05/1078868905.db2.gz NMPQQBDVHXYURP-CYBMUJFWSA-N 1 0 421.466 2.528 20 5 HFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000805111607 1078895965 /nfs/dbraw/zinc/89/59/65/1078895965.db2.gz ZPLQYMQTCIQKIQ-BXUZGUMPSA-N 1 0 418.313 2.605 20 5 HFBDRO COc1cc(N2CCC(OC(=O)C3CC[NH+](C4CC4)CC3)CC2)ccc1[N+](=O)[O-] ZINC000805885699 1079338242 /nfs/dbraw/zinc/33/82/42/1079338242.db2.gz JHVDMGDKHZYWET-UHFFFAOYSA-N 1 0 403.479 2.990 20 5 HFBDRO Cc1cc([N+](=O)[O-])cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c1F ZINC001170075339 1076883716 /nfs/dbraw/zinc/88/37/16/1076883716.db2.gz UQMKVUGHWZEWOG-UHFFFAOYSA-N 1 0 404.423 2.745 20 5 HFBDRO C[C@@H]([NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788609111 1077205935 /nfs/dbraw/zinc/20/59/35/1077205935.db2.gz OYIMRIPWUMXSPW-MRXNPFEDSA-N 1 0 403.527 2.552 20 5 HFBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OCC(=O)N(C)C ZINC000788651803 1077226455 /nfs/dbraw/zinc/22/64/55/1077226455.db2.gz MIYKANIHNVSNGA-ZDUSSCGKSA-N 1 0 402.451 2.503 20 5 HFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000790926291 1077234665 /nfs/dbraw/zinc/23/46/65/1077234665.db2.gz KLOIXJHRTSQCOS-MRXNPFEDSA-N 1 0 421.856 2.813 20 5 HFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000788913964 1077352078 /nfs/dbraw/zinc/35/20/78/1077352078.db2.gz SCDXEQHPZQYFHN-NEPJUHHUSA-N 1 0 420.329 2.756 20 5 HFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@@H](C)C1 ZINC000791366527 1077394749 /nfs/dbraw/zinc/39/47/49/1077394749.db2.gz JSRABTRULDSERV-YOEHRIQHSA-N 1 0 410.490 2.667 20 5 HFBDRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791622003 1077490535 /nfs/dbraw/zinc/49/05/35/1077490535.db2.gz CBWVEKUWGJVVBD-SFHVURJKSA-N 1 0 420.901 2.559 20 5 HFBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000746802194 1077528880 /nfs/dbraw/zinc/52/88/80/1077528880.db2.gz YQILWFDAKOVZSM-INIZCTEOSA-N 1 0 401.385 2.987 20 5 HFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000791828922 1077576977 /nfs/dbraw/zinc/57/69/77/1077576977.db2.gz RATXRZXLHCZQKM-LJQANCHMSA-N 1 0 424.501 2.683 20 5 HFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789524537 1077620992 /nfs/dbraw/zinc/62/09/92/1077620992.db2.gz GGYDCEGRFDSXCM-LJQANCHMSA-N 1 0 414.437 2.795 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](Oc3nc(C)cc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355628 1077949197 /nfs/dbraw/zinc/94/91/97/1077949197.db2.gz MXIRVWBXPVRFAK-WMLDXEAASA-N 1 0 402.451 2.795 20 5 HFBDRO COC(=O)c1cnc(NC2CC[NH+](Cc3cccc(OC)c3)CC2)c([N+](=O)[O-])c1 ZINC000790101571 1077949335 /nfs/dbraw/zinc/94/93/35/1077949335.db2.gz PNNRYFWXFCJLFN-UHFFFAOYSA-N 1 0 400.435 2.862 20 5 HFBDRO CC(C)C[NH2+]C1(CO)CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001170365880 1077951134 /nfs/dbraw/zinc/95/11/34/1077951134.db2.gz RXBZCASHXCCRGZ-UHFFFAOYSA-N 1 0 400.317 2.930 20 5 HFBDRO CC(C)[NH+]1CCC(NC(=O)COc2cc(F)c(Br)cc2[N+](=O)[O-])CC1 ZINC000790296004 1077988338 /nfs/dbraw/zinc/98/83/38/1077988338.db2.gz QNSBBWQHNYIXDF-UHFFFAOYSA-N 1 0 418.263 2.864 20 5 HFBDRO COc1c[nH+]ccc1N1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000792993773 1078042918 /nfs/dbraw/zinc/04/29/18/1078042918.db2.gz XCFKFMUGUMDRIG-UHFFFAOYSA-N 1 0 405.842 2.684 20 5 HFBDRO COc1cc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001130733199 1079971433 /nfs/dbraw/zinc/97/14/33/1079971433.db2.gz MAVIGIHOXUYEEO-UXHICEINSA-N 1 0 411.458 2.719 20 5 HFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000807413264 1080608869 /nfs/dbraw/zinc/60/88/69/1080608869.db2.gz HVLKMSXRYRYZDB-UHFFFAOYSA-N 1 0 408.842 2.760 20 5 HFBDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832432 720509618 /nfs/dbraw/zinc/50/96/18/720509618.db2.gz AQBZNKHBFSPOMW-QLFBSQMISA-N 1 0 405.890 2.613 20 5 HFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164734120 720557533 /nfs/dbraw/zinc/55/75/33/720557533.db2.gz VLJKVGWZACQOMS-UHFFFAOYSA-N 1 0 412.281 2.547 20 5 HFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749593 720832924 /nfs/dbraw/zinc/83/29/24/720832924.db2.gz WKKHEJCOHFHUOO-GBESFXJTSA-N 1 0 411.510 2.578 20 5 HFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc([N+](=O)[O-])cc5)nn4)C[C@@H]3C2)cn1 ZINC001164771443 721192292 /nfs/dbraw/zinc/19/22/92/721192292.db2.gz PXAINCJWQJUVTF-OALUTQOASA-N 1 0 419.489 2.744 20 5 HFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C[C@@H]3C2)cn1 ZINC001164765659 721216225 /nfs/dbraw/zinc/21/62/25/721216225.db2.gz ICWYAIACKBNENH-MSOLQXFVSA-N 1 0 419.489 2.744 20 5 HFBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164809903 721563681 /nfs/dbraw/zinc/56/36/81/721563681.db2.gz YAHCURONFUXHQQ-HGHGUNKESA-N 1 0 408.462 2.734 20 5 HFBDRO Nc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-] ZINC001164906677 721711043 /nfs/dbraw/zinc/71/10/43/721711043.db2.gz NVBGLHJWSPRIIY-SFHVURJKSA-N 1 0 404.421 2.705 20 5 HFBDRO Nc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-] ZINC001164906675 721711588 /nfs/dbraw/zinc/71/15/88/721711588.db2.gz NVBGLHJWSPRIIY-GOSISDBHSA-N 1 0 404.421 2.705 20 5 HFBDRO COc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c([N+](=O)[O-])c1 ZINC001164963868 722055130 /nfs/dbraw/zinc/05/51/30/722055130.db2.gz OXXZZWXVKWILMF-UHFFFAOYSA-N 1 0 413.478 2.512 20 5 HFBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc3ccc([N+](=O)[O-])cc3n1)CCC2 ZINC001165000190 722252695 /nfs/dbraw/zinc/25/26/95/722252695.db2.gz LJHAUPSNHRNILS-UHFFFAOYSA-N 1 0 410.478 2.828 20 5 HFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790777156 1078130735 /nfs/dbraw/zinc/13/07/35/1078130735.db2.gz HCRKPHDLXJPFOV-MEDUHNTESA-N 1 0 423.311 2.908 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000790826170 1078158083 /nfs/dbraw/zinc/15/80/83/1078158083.db2.gz IMQLXMSOEJAKKW-VXGBXAGGSA-N 1 0 414.484 2.661 20 5 HFBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000790890473 1078172881 /nfs/dbraw/zinc/17/28/81/1078172881.db2.gz VSUQBAJWMDDIAM-OAHLLOKOSA-N 1 0 412.893 2.557 20 5 HFBDRO COc1nc(C)nc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)c1[N+](=O)[O-] ZINC001170145471 1078181729 /nfs/dbraw/zinc/18/17/29/1078181729.db2.gz FICYEUJMQTYOLL-UHFFFAOYSA-N 1 0 422.449 2.611 20 5 HFBDRO O=Cc1ccc(OCC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000804534041 1078571202 /nfs/dbraw/zinc/57/12/02/1078571202.db2.gz LTMQCZJDIQFIMP-HSZRJFAPSA-N 1 0 423.469 2.911 20 5 HFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000804777090 1078602404 /nfs/dbraw/zinc/60/24/04/1078602404.db2.gz PPNDYTHZAYFBCZ-LBPRGKRZSA-N 1 0 417.247 2.804 20 5 HFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000805111531 1078896489 /nfs/dbraw/zinc/89/64/89/1078896489.db2.gz XWWYERBBWKRYFF-AAEUAGOBSA-N 1 0 418.313 2.605 20 5 HFBDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000805761455 1079263097 /nfs/dbraw/zinc/26/30/97/1079263097.db2.gz WARLWPHVYFICEJ-MRXNPFEDSA-N 1 0 422.482 2.875 20 5 HFBDRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000787301087 1076748276 /nfs/dbraw/zinc/74/82/76/1076748276.db2.gz ASOBGVDBPYNAFX-QGZVFWFLSA-N 1 0 412.412 2.889 20 5 HFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787356006 1076794787 /nfs/dbraw/zinc/79/47/87/1076794787.db2.gz MKAWITYIKCFRSY-CQSZACIVSA-N 1 0 422.482 2.921 20 5 HFBDRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000788502255 1077183716 /nfs/dbraw/zinc/18/37/16/1077183716.db2.gz IOLKWNRZPVQCGM-VFNWGFHPSA-N 1 0 400.479 2.910 20 5 HFBDRO CCOC(=O)[C@@H]1[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000788588975 1077214403 /nfs/dbraw/zinc/21/44/03/1077214403.db2.gz PBNMPWQNSRKRIW-IRXDYDNUSA-N 1 0 407.467 2.668 20 5 HFBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)c1 ZINC000788665134 1077259541 /nfs/dbraw/zinc/25/95/41/1077259541.db2.gz MVBKNGSDUHLEPX-XIKOKIGWSA-N 1 0 400.435 2.650 20 5 HFBDRO CCOC(=O)[C@@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCN1C(=O)OC(C)(C)C ZINC000788778645 1077299054 /nfs/dbraw/zinc/29/90/54/1077299054.db2.gz TXAQXZIXIRBSRG-WBVHZDCISA-N 1 0 407.467 2.934 20 5 HFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000788915302 1077352786 /nfs/dbraw/zinc/35/27/86/1077352786.db2.gz JCMDPADPTGZMBK-UHFFFAOYSA-N 1 0 420.329 2.854 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000788965185 1077365183 /nfs/dbraw/zinc/36/51/83/1077365183.db2.gz UDCVRCZOYIKCOU-OAHLLOKOSA-N 1 0 412.801 2.762 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000788966607 1077365443 /nfs/dbraw/zinc/36/54/43/1077365443.db2.gz QKNSRTWABFQAJI-LJQANCHMSA-N 1 0 408.838 2.797 20 5 HFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000791342560 1077380138 /nfs/dbraw/zinc/38/01/38/1077380138.db2.gz HWPGQOJOGGNZBX-LBPRGKRZSA-N 1 0 419.432 2.698 20 5 HFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000791826797 1077575832 /nfs/dbraw/zinc/57/58/32/1077575832.db2.gz FKJFGXFPGCYDKJ-UWJYYQICSA-N 1 0 408.458 2.726 20 5 HFBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000789513141 1077604874 /nfs/dbraw/zinc/60/48/74/1077604874.db2.gz HMEPQISPMOYTIR-OAHLLOKOSA-N 1 0 423.466 2.588 20 5 HFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000792120260 1077727995 /nfs/dbraw/zinc/72/79/95/1077727995.db2.gz MLWHVYFZSRUCCM-UHFFFAOYSA-N 1 0 414.300 2.930 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+][C@]2(CCO)CCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170315299 1077941170 /nfs/dbraw/zinc/94/11/70/1077941170.db2.gz WTTBOZXLXKCHGG-BTYIYWSLSA-N 1 0 423.510 2.886 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)NC(C)C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341203 1077953090 /nfs/dbraw/zinc/95/30/90/1077953090.db2.gz OAGYOBKUJIRDKU-UIXUWTQFSA-N 1 0 419.522 2.644 20 5 HFBDRO COc1ccc(C[C@H](C)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001170345417 1077954310 /nfs/dbraw/zinc/95/43/10/1077954310.db2.gz KBLURZKFILEQGI-HNNXBMFYSA-N 1 0 410.474 2.864 20 5 HFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000790272272 1077992960 /nfs/dbraw/zinc/99/29/60/1077992960.db2.gz DBHRKPFOGZFXAX-YIONKMFJSA-N 1 0 422.913 2.782 20 5 HFBDRO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CC1 ZINC000790439884 1078031787 /nfs/dbraw/zinc/03/17/87/1078031787.db2.gz UMFLBPVKCCTCQQ-UHFFFAOYSA-N 1 0 423.466 2.685 20 5 HFBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000792986096 1078041141 /nfs/dbraw/zinc/04/11/41/1078041141.db2.gz BJGYUZLYGMUKFA-HNNXBMFYSA-N 1 0 402.495 2.775 20 5 HFBDRO [NH3+]CCOCCOCCNc1ccc2ccc3ccc(Br)nc3c2n1 ZINC001170512792 1080064356 /nfs/dbraw/zinc/06/43/56/1080064356.db2.gz NGMSDPOLGFPKPZ-UHFFFAOYSA-N 1 0 405.296 2.949 20 5 HFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000747375810 1080361426 /nfs/dbraw/zinc/36/14/26/1080361426.db2.gz QULCRKZENMOARO-MAODMQOUSA-N 1 0 416.522 2.909 20 5 HFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC001176597706 1126150373 /nfs/dbraw/zinc/15/03/73/1126150373.db2.gz IDTVMNZDSZUZPO-LJQANCHMSA-N 1 0 405.407 2.604 20 5 HFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc(C)c3[N+](=O)[O-])CC2)CC1 ZINC001164614051 719021279 /nfs/dbraw/zinc/02/12/79/719021279.db2.gz BSIFENZSILNEJL-UHFFFAOYSA-N 1 0 411.890 2.591 20 5 HFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164632432 719112052 /nfs/dbraw/zinc/11/20/52/719112052.db2.gz ZJYHOAZDQAOCIU-ROUUACIJSA-N 1 0 410.478 2.752 20 5 HFBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])CC[C@@H]21 ZINC001164832428 720509557 /nfs/dbraw/zinc/50/95/57/720509557.db2.gz AQBZNKHBFSPOMW-ILXRZTDVSA-N 1 0 405.890 2.613 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744129 720811504 /nfs/dbraw/zinc/81/15/04/720811504.db2.gz HKUOQRYBMRAOOD-USXIJHARSA-N 1 0 417.901 2.614 20 5 HFBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164748623 720950072 /nfs/dbraw/zinc/95/00/72/720950072.db2.gz BEMMBBUYWDSMKD-UHFFFAOYSA-N 1 0 416.485 2.625 20 5 HFBDRO CCOC(=O)c1ccnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164856534 721015310 /nfs/dbraw/zinc/01/53/10/721015310.db2.gz AYMTZHUSECIQCW-AWEZNQCLSA-N 1 0 416.482 2.784 20 5 HFBDRO Cc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164887699 721400420 /nfs/dbraw/zinc/40/04/20/721400420.db2.gz MLRMWIDGCQIVNV-OXJNMPFZSA-N 1 0 423.945 2.717 20 5 HFBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1Cl ZINC001164888341 721401294 /nfs/dbraw/zinc/40/12/94/721401294.db2.gz OIWIBKNGHOCMIV-OXQOHEQNSA-N 1 0 423.945 2.717 20 5 HFBDRO CCOc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164902608 721546070 /nfs/dbraw/zinc/54/60/70/721546070.db2.gz AKZAZHZWEUYWKD-WBVHZDCISA-N 1 0 402.426 2.870 20 5 HFBDRO COC(=O)c1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c([N+](=O)[O-])c1 ZINC001164952034 722015382 /nfs/dbraw/zinc/01/53/82/722015382.db2.gz GLBHCSGBKYLJIV-UHFFFAOYSA-N 1 0 411.462 2.664 20 5 HFBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000793038214 1078053578 /nfs/dbraw/zinc/05/35/78/1078053578.db2.gz DANKJGYASRHCPT-INIZCTEOSA-N 1 0 402.495 2.918 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000790850841 1078149491 /nfs/dbraw/zinc/14/94/91/1078149491.db2.gz IGZJLYFUVPETLC-CQSZACIVSA-N 1 0 414.484 2.615 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000790837215 1078162892 /nfs/dbraw/zinc/16/28/92/1078162892.db2.gz RZXGWIBLZIANBG-GFCCVEGCSA-N 1 0 414.484 2.519 20 5 HFBDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000747209527 1078571764 /nfs/dbraw/zinc/57/17/64/1078571764.db2.gz KIEWZUHDEOZAHS-UHFFFAOYSA-N 1 0 410.490 2.807 20 5 HFBDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000787510311 1076830765 /nfs/dbraw/zinc/83/07/65/1076830765.db2.gz VETQEFZESXZNFZ-XGICHPGQSA-N 1 0 411.458 2.838 20 5 HFBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000787896665 1077003083 /nfs/dbraw/zinc/00/30/83/1077003083.db2.gz LKEBJSYMQNNYHK-UHFFFAOYSA-N 1 0 413.316 2.656 20 5 HFBDRO Cc1cnc2c(N(CC[NH3+])c3cc([N+](=O)[O-])c4nncn4c3)nc3ccc(C)cc3n12 ZINC001170149257 1077307600 /nfs/dbraw/zinc/30/76/00/1077307600.db2.gz QGAMSPOUHAPZML-UHFFFAOYSA-N 1 0 417.433 2.547 20 5 HFBDRO C[N@H+](CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@H]1CCSC1 ZINC000791243764 1077356888 /nfs/dbraw/zinc/35/68/88/1077356888.db2.gz DUKDCCUGPUTJFO-NSHDSACASA-N 1 0 414.325 2.679 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000788958845 1077363463 /nfs/dbraw/zinc/36/34/63/1077363463.db2.gz MWBWCQOWSSLIGL-UHFFFAOYSA-N 1 0 413.430 2.563 20 5 HFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@@H](C)C1 ZINC000791366525 1077394642 /nfs/dbraw/zinc/39/46/42/1077394642.db2.gz JSRABTRULDSERV-WMLDXEAASA-N 1 0 410.490 2.667 20 5 HFBDRO CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791624660 1077491802 /nfs/dbraw/zinc/49/18/02/1077491802.db2.gz ODFOGCKZIIASFM-GOSISDBHSA-N 1 0 420.901 2.559 20 5 HFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000789517701 1077612511 /nfs/dbraw/zinc/61/25/11/1077612511.db2.gz NSBLJVNMEAKQRP-HXUWFJFHSA-N 1 0 410.474 2.965 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]C2(CO)CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170298255 1077931130 /nfs/dbraw/zinc/93/11/30/1077931130.db2.gz HWZZEOHKZSGALX-HNNXBMFYSA-N 1 0 423.510 2.886 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)[C@@H](O)c2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC001170305571 1077933411 /nfs/dbraw/zinc/93/34/11/1077933411.db2.gz NIEVDTUZQTTXFL-GMVOTWDCSA-N 1 0 406.504 2.940 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]C2CCN(C(=O)C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001170319798 1077941903 /nfs/dbraw/zinc/94/19/03/1077941903.db2.gz ZGYRIDJORVJLFO-HNNXBMFYSA-N 1 0 405.495 2.542 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCN(C(=O)C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001170319799 1077942335 /nfs/dbraw/zinc/94/23/35/1077942335.db2.gz ZGYRIDJORVJLFO-OAHLLOKOSA-N 1 0 405.495 2.542 20 5 HFBDRO COc1ccc(C[C@@H](C)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)c([N+](=O)[O-])c1 ZINC001170334785 1077946736 /nfs/dbraw/zinc/94/67/36/1077946736.db2.gz INSIFQKOOSCVHV-CQSZACIVSA-N 1 0 424.461 2.665 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170341534 1077953447 /nfs/dbraw/zinc/95/34/47/1077953447.db2.gz KAUUIDGKAVVYBE-ITSWEJNFSA-N 1 0 424.501 2.958 20 5 HFBDRO CCN1C(=O)[C@]2(CC[C@@H]3C[N@@H+]([C@H](C)Cc4ccc(OC)cc4[N+](=O)[O-])C[C@@H]32)N=C1C ZINC001170341862 1077953638 /nfs/dbraw/zinc/95/36/38/1077953638.db2.gz SURYYMQVKGHICO-LPZXAVJZSA-N 1 0 414.506 2.896 20 5 HFBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000792963261 1078036837 /nfs/dbraw/zinc/03/68/37/1078036837.db2.gz PQAJMVYCWGXNQB-UHFFFAOYSA-N 1 0 402.495 2.918 20 5 HFBDRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC001130842784 1080276778 /nfs/dbraw/zinc/27/67/78/1080276778.db2.gz ISVQIEHALQQGRM-GOSISDBHSA-N 1 0 406.446 2.699 20 5 HFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000747372656 1080286384 /nfs/dbraw/zinc/28/63/84/1080286384.db2.gz BWRLFVJWUIPSIE-ADOMEBDSSA-N 1 0 411.886 2.726 20 5 HFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC001198230830 1126155870 /nfs/dbraw/zinc/15/58/70/1126155870.db2.gz SBLSJWUGUNSQIW-HXUWFJFHSA-N 1 0 400.435 2.572 20 5 HFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)nc(Cl)c3[N+](=O)[O-])CC2)CC1 ZINC001164613942 719023379 /nfs/dbraw/zinc/02/33/79/719023379.db2.gz KJXWFERJKPBCKG-UHFFFAOYSA-N 1 0 411.890 2.591 20 5 HFBDRO CC(C)N(C)Cc1nn(-c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)c2c1CC[NH2+]C2 ZINC001164679969 719651238 /nfs/dbraw/zinc/65/12/38/719651238.db2.gz BOUHORFAVKGGAX-UHFFFAOYSA-N 1 0 415.885 2.863 20 5 HFBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC001164689840 719745925 /nfs/dbraw/zinc/74/59/25/719745925.db2.gz LJFNMEREMLBYPR-UHFFFAOYSA-N 1 0 424.505 2.541 20 5 HFBDRO Cc1cc([N+](=O)[O-])c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1Cl ZINC001164814794 720218577 /nfs/dbraw/zinc/21/85/77/720218577.db2.gz ZGTSXVGXZUWULZ-UHFFFAOYSA-N 1 0 420.901 2.759 20 5 HFBDRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164819235 720308568 /nfs/dbraw/zinc/30/85/68/720308568.db2.gz CYKYPJSHFPBAKW-JKSUJKDBSA-N 1 0 421.929 2.863 20 5 HFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820503 720311372 /nfs/dbraw/zinc/31/13/72/720311372.db2.gz HHXANXWSJIJOCD-DLBZAZTESA-N 1 0 421.929 2.863 20 5 HFBDRO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164841663 720519418 /nfs/dbraw/zinc/51/94/18/720519418.db2.gz ZJHPOAMJYWMZFM-GVDBMIGSSA-N 1 0 400.483 2.573 20 5 HFBDRO Cc1cc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164866835 721072495 /nfs/dbraw/zinc/07/24/95/721072495.db2.gz GFZPKOVLPWBYJQ-HOTGVXAUSA-N 1 0 403.870 2.826 20 5 HFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C[C@H]3C2)cn1 ZINC001164765673 721215641 /nfs/dbraw/zinc/21/56/41/721215641.db2.gz ICWYAIACKBNENH-ZWKOTPCHSA-N 1 0 419.489 2.744 20 5 HFBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001164788576 721453749 /nfs/dbraw/zinc/45/37/49/721453749.db2.gz RLXQKHJVGJASIZ-SFHVURJKSA-N 1 0 422.501 2.863 20 5 HFBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001164784422 721457364 /nfs/dbraw/zinc/45/73/64/721457364.db2.gz FEKUUUQMUMDDBV-SFHVURJKSA-N 1 0 422.501 2.863 20 5 HFBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4ccc5cccnc5c4n2)CC3)CC1 ZINC001164794996 721510857 /nfs/dbraw/zinc/51/08/57/721510857.db2.gz ZJULSRMZKHPLPI-UHFFFAOYSA-N 1 0 413.529 2.747 20 5 HFBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019683 721812445 /nfs/dbraw/zinc/81/24/45/721812445.db2.gz BLLLPPVPQIZLAF-CGTJXYLNSA-N 1 0 412.494 2.834 20 5 HFBDRO O=[N+]([O-])c1ccc2ncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164983364 722103965 /nfs/dbraw/zinc/10/39/65/722103965.db2.gz PQOVUBLJVUJMKD-LAUBAEHRSA-N 1 0 420.473 2.660 20 5 HFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980614 722105294 /nfs/dbraw/zinc/10/52/94/722105294.db2.gz JRHBYUBGSOIGGS-MAUKXSAKSA-N 1 0 403.870 2.766 20 5 HFBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cnc2c1 ZINC001164984294 722105521 /nfs/dbraw/zinc/10/55/21/722105521.db2.gz SCZREBIOCJGIAW-DYESRHJHSA-N 1 0 420.473 2.660 20 5 HFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000790560756 1078056315 /nfs/dbraw/zinc/05/63/15/1078056315.db2.gz YHZIYGWJAMRRHZ-FUHWJXTLSA-N 1 0 413.877 2.814 20 5 HFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000790560768 1078056357 /nfs/dbraw/zinc/05/63/57/1078056357.db2.gz YHZIYGWJAMRRHZ-WMZOPIPTSA-N 1 0 413.877 2.814 20 5 HFBDRO C[NH+](C)CCCOC1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790861864 1078180078 /nfs/dbraw/zinc/18/00/78/1078180078.db2.gz JCPCHQBRPRRRIJ-UHFFFAOYSA-N 1 0 401.866 2.889 20 5 HFBDRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000747126647 1078197998 /nfs/dbraw/zinc/19/79/98/1078197998.db2.gz WQHBXUUJTBHOQY-UHFFFAOYSA-N 1 0 417.384 2.759 20 5 HFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001129967319 1078661157 /nfs/dbraw/zinc/66/11/57/1078661157.db2.gz MYRMEQOBIHTPQH-UHFFFAOYSA-N 1 0 417.247 2.804 20 5 HFBDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc4c([N+](=O)[O-])c[nH]c4n3)cc2)CC1 ZINC001170486425 1079208910 /nfs/dbraw/zinc/20/89/10/1079208910.db2.gz JLXDSAQUPGDTTG-WLYUNCDWSA-N 1 0 408.462 2.843 20 5 HFBDRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000806121622 1079449989 /nfs/dbraw/zinc/44/99/89/1079449989.db2.gz VHJMWTWTMMGGAM-UHFFFAOYSA-N 1 0 414.890 2.839 20 5 HFBDRO [NH3+]CCN(c1cc2cc[nH]c2c([N+](=O)[O-])c1)S(=O)(=O)c1cccc2cnccc21 ZINC001170073339 1076818535 /nfs/dbraw/zinc/81/85/35/1076818535.db2.gz KMGYSPVNVSLAMJ-UHFFFAOYSA-N 1 0 411.443 2.778 20 5 HFBDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000787592103 1076862589 /nfs/dbraw/zinc/86/25/89/1076862589.db2.gz BYTWIYDWHLIVCT-YVMONPNESA-N 1 0 413.478 2.609 20 5 HFBDRO CCN(CCC[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000788078119 1077054008 /nfs/dbraw/zinc/05/40/08/1077054008.db2.gz QOUKOJQKBXLQJM-UHFFFAOYSA-N 1 0 412.556 2.938 20 5 HFBDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788563089 1077201807 /nfs/dbraw/zinc/20/18/07/1077201807.db2.gz KOHFFXBMMSJNTG-CQSZACIVSA-N 1 0 406.508 2.856 20 5 HFBDRO CCOC(=O)[C@@H]1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000788588976 1077214384 /nfs/dbraw/zinc/21/43/84/1077214384.db2.gz PBNMPWQNSRKRIW-SJORKVTESA-N 1 0 407.467 2.668 20 5 HFBDRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788645399 1077223068 /nfs/dbraw/zinc/22/30/68/1077223068.db2.gz XFDZBVUVCPPJGE-OAHLLOKOSA-N 1 0 415.469 2.706 20 5 HFBDRO COc1ccnc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)c1[N+](=O)[O-] ZINC001170146418 1077257366 /nfs/dbraw/zinc/25/73/66/1077257366.db2.gz LQMBMSHYCSWHRE-UHFFFAOYSA-N 1 0 407.434 2.908 20 5 HFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000788913965 1077352137 /nfs/dbraw/zinc/35/21/37/1077352137.db2.gz SCDXEQHPZQYFHN-NWDGAFQWSA-N 1 0 420.329 2.756 20 5 HFBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC000791341285 1077379783 /nfs/dbraw/zinc/37/97/83/1077379783.db2.gz UUDYAFUCNWFWDT-UHFFFAOYSA-N 1 0 415.475 2.812 20 5 HFBDRO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791622000 1077490511 /nfs/dbraw/zinc/49/05/11/1077490511.db2.gz CBWVEKUWGJVVBD-GOSISDBHSA-N 1 0 420.901 2.559 20 5 HFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000789513117 1077604908 /nfs/dbraw/zinc/60/49/08/1077604908.db2.gz GPNSXZUJZCTJNQ-RDJZCZTQSA-N 1 0 404.419 2.828 20 5 HFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000746849299 1077759780 /nfs/dbraw/zinc/75/97/80/1077759780.db2.gz VDJCXNSIAVQVBP-LMMKCTJWSA-N 1 0 416.522 2.909 20 5 HFBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001170281076 1077936857 /nfs/dbraw/zinc/93/68/57/1077936857.db2.gz URNRFWQCOHJHOI-ZIAGYGMSSA-N 1 0 401.385 2.836 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170313698 1077940879 /nfs/dbraw/zinc/94/08/79/1077940879.db2.gz QADACLAHUVASBS-ZBFHGGJFSA-N 1 0 409.483 2.760 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]CC2CCN(C(=O)C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001170319804 1077942242 /nfs/dbraw/zinc/94/22/42/1077942242.db2.gz ZIHZSIPQFIQSAR-INIZCTEOSA-N 1 0 419.522 2.789 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170341672 1077953605 /nfs/dbraw/zinc/95/36/05/1077953605.db2.gz SFFZMVLHOHGOPT-XPKQXGJGSA-N 1 0 417.506 2.540 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170351616 1077956280 /nfs/dbraw/zinc/95/62/80/1077956280.db2.gz GLPUJWRJOXZLRP-RYGJVYDSSA-N 1 0 423.469 2.651 20 5 HFBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000807544348 1080759664 /nfs/dbraw/zinc/75/96/64/1080759664.db2.gz QARWMCHJRFGQAE-WMLDXEAASA-N 1 0 414.437 2.760 20 5 HFBDRO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164398991 718834232 /nfs/dbraw/zinc/83/42/32/718834232.db2.gz NPYNOBBXYPOGPA-GFCCVEGCSA-N 1 0 407.833 2.668 20 5 HFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)CC2)CC1 ZINC001164618568 719028863 /nfs/dbraw/zinc/02/88/63/719028863.db2.gz YTPAREVVPGETBN-UHFFFAOYSA-N 1 0 401.467 2.715 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001164822639 720291902 /nfs/dbraw/zinc/29/19/02/720291902.db2.gz NURLFQNSCNLNGJ-IRXDYDNUSA-N 1 0 407.902 2.555 20 5 HFBDRO Cc1cc(Cl)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164819233 720308824 /nfs/dbraw/zinc/30/88/24/720308824.db2.gz CYKYPJSHFPBAKW-HOTGVXAUSA-N 1 0 421.929 2.863 20 5 HFBDRO Cc1c(C)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001164829026 720323362 /nfs/dbraw/zinc/32/33/62/720323362.db2.gz LJPKEHQFWCGUCZ-ROUUACIJSA-N 1 0 401.511 2.518 20 5 HFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccccc1 ZINC001164746659 720801995 /nfs/dbraw/zinc/80/19/95/720801995.db2.gz MHLTVHBLPJMDPU-ROUUACIJSA-N 1 0 418.457 2.789 20 5 HFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737962 720816710 /nfs/dbraw/zinc/81/67/10/720816710.db2.gz CSBYLUHSKSXBIA-HRCADAONSA-N 1 0 417.901 2.614 20 5 HFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749598 720832580 /nfs/dbraw/zinc/83/25/80/720832580.db2.gz WKKHEJCOHFHUOO-GUDVDZBRSA-N 1 0 411.510 2.578 20 5 HFBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)CC[C@H]2C1 ZINC001164856891 720861590 /nfs/dbraw/zinc/86/15/90/720861590.db2.gz PUHPCDWVCFPEAN-KSSFIOAISA-N 1 0 420.897 2.970 20 5 HFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C[C@@H]3C2)cn1 ZINC001164765669 721215149 /nfs/dbraw/zinc/21/51/49/721215149.db2.gz ICWYAIACKBNENH-ROUUACIJSA-N 1 0 419.489 2.744 20 5 HFBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164785179 721450838 /nfs/dbraw/zinc/45/08/38/721450838.db2.gz GYFBWCYNKVIFSW-LJQANCHMSA-N 1 0 404.511 2.724 20 5 HFBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019695 721812192 /nfs/dbraw/zinc/81/21/92/721812192.db2.gz BLLLPPVPQIZLAF-JQHSSLGASA-N 1 0 412.494 2.834 20 5 HFBDRO CCc1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164935523 721883460 /nfs/dbraw/zinc/88/34/60/721883460.db2.gz XIFLCKJBSWRYNK-VQTJNVASSA-N 1 0 410.522 2.829 20 5 HFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971414 722112933 /nfs/dbraw/zinc/11/29/33/722112933.db2.gz CKBCMWJAHCIAJA-DYESRHJHSA-N 1 0 420.473 2.660 20 5 HFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000790560749 1078056362 /nfs/dbraw/zinc/05/63/62/1078056362.db2.gz YHZIYGWJAMRRHZ-AEFFLSMTSA-N 1 0 413.877 2.814 20 5 HFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790666960 1078084008 /nfs/dbraw/zinc/08/40/08/1078084008.db2.gz VVWRCYIMOZTYFF-HNNXBMFYSA-N 1 0 412.893 2.558 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2ccccc2C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000790824931 1078157784 /nfs/dbraw/zinc/15/77/84/1078157784.db2.gz XZCUTJXLKHPRTR-UHFFFAOYSA-N 1 0 422.463 2.660 20 5 HFBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000793599405 1078220643 /nfs/dbraw/zinc/22/06/43/1078220643.db2.gz PXFJQYCWACMBFQ-OAQYLSRUSA-N 1 0 407.430 2.628 20 5 HFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000805111534 1078896424 /nfs/dbraw/zinc/89/64/24/1078896424.db2.gz XWWYERBBWKRYFF-WCQYABFASA-N 1 0 418.313 2.605 20 5 HFBDRO O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])C1CC[NH+](C2CC2)CC1 ZINC000805877605 1079318202 /nfs/dbraw/zinc/31/82/02/1079318202.db2.gz MGYYVHIVAYTTQB-QGZVFWFLSA-N 1 0 401.463 2.617 20 5 HFBDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000787510307 1076830607 /nfs/dbraw/zinc/83/06/07/1076830607.db2.gz VETQEFZESXZNFZ-LFYBBSHMSA-N 1 0 411.458 2.838 20 5 HFBDRO [NH3+]CCN(c1cc(F)cc(F)c1[N+](=O)[O-])S(=O)(=O)c1cccc2cnccc21 ZINC001170075336 1076883223 /nfs/dbraw/zinc/88/32/23/1076883223.db2.gz YUYBKWJYCHXFDW-UHFFFAOYSA-N 1 0 408.386 2.575 20 5 HFBDRO CC(C)OCC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000788065785 1077047915 /nfs/dbraw/zinc/04/79/15/1077047915.db2.gz FGAHWRFVUXBNDP-HNNXBMFYSA-N 1 0 405.417 2.912 20 5 HFBDRO CC(C)(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C[NH+]1CCCC1 ZINC000790937981 1077236205 /nfs/dbraw/zinc/23/62/05/1077236205.db2.gz ZBUNBCYTYXWTEJ-UHFFFAOYSA-N 1 0 420.329 2.758 20 5 HFBDRO COc1ccc([N+](=O)[O-])c(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)n1 ZINC001170146391 1077253703 /nfs/dbraw/zinc/25/37/03/1077253703.db2.gz KBKUURUJQKWFRI-UHFFFAOYSA-N 1 0 407.434 2.908 20 5 HFBDRO CN(C)c1cc(F)c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000791204961 1077342383 /nfs/dbraw/zinc/34/23/83/1077342383.db2.gz IYGRSDTZDUKSCT-UHFFFAOYSA-N 1 0 404.442 2.670 20 5 HFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000791214325 1077346699 /nfs/dbraw/zinc/34/66/99/1077346699.db2.gz GOPLVYHFXOFCMM-AWEZNQCLSA-N 1 0 400.454 2.977 20 5 HFBDRO COC(=O)COc1ccc(C[NH+]2CCC(c3nccc(C)n3)CC2)cc1[N+](=O)[O-] ZINC000789532974 1077627622 /nfs/dbraw/zinc/62/76/22/1077627622.db2.gz VZCNYNNRBIQDIP-UHFFFAOYSA-N 1 0 400.435 2.625 20 5 HFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000792369162 1077819244 /nfs/dbraw/zinc/81/92/44/1077819244.db2.gz RCWUZHOBSWYHGU-OAHLLOKOSA-N 1 0 416.865 2.825 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)c([N+](=O)[O-])c1 ZINC001170296203 1077930256 /nfs/dbraw/zinc/93/02/56/1077930256.db2.gz FKOSICRSRNUBLL-DNVCBOLYSA-N 1 0 423.473 2.982 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCOC23CN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])c1 ZINC001170298262 1077931106 /nfs/dbraw/zinc/93/11/06/1077931106.db2.gz HYVCQTVNVXICBE-KDOFPFPSSA-N 1 0 421.494 2.902 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c([N+](=O)[O-])c1 ZINC001170300430 1077931785 /nfs/dbraw/zinc/93/17/85/1077931785.db2.gz ZXJLJJRUFPWBFS-WMLDXEAASA-N 1 0 409.483 2.760 20 5 HFBDRO COc1ccc(C[C@H](C)N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC001170313357 1077940595 /nfs/dbraw/zinc/94/05/95/1077940595.db2.gz LSXNFVFYMAQLSJ-HNNXBMFYSA-N 1 0 413.478 2.771 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170317439 1077941869 /nfs/dbraw/zinc/94/18/69/1077941869.db2.gz IPFKGPYEKVUBPR-OAHLLOKOSA-N 1 0 413.540 2.574 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]CC2CCN(C(=O)C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001170319805 1077942339 /nfs/dbraw/zinc/94/23/39/1077942339.db2.gz ZIHZSIPQFIQSAR-MRXNPFEDSA-N 1 0 419.522 2.789 20 5 HFBDRO CCOC(=O)Cn1nc(C)c(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1C ZINC001170330056 1077944804 /nfs/dbraw/zinc/94/48/04/1077944804.db2.gz XIWJTJAZQXRJSK-CYBMUJFWSA-N 1 0 404.467 2.701 20 5 HFBDRO COc1cnc(OC2CC[NH+]([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)nc1 ZINC001170354500 1077948780 /nfs/dbraw/zinc/94/87/80/1077948780.db2.gz MIALNNAEVZTUEK-AWEZNQCLSA-N 1 0 402.451 2.876 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@H+]2CCc3ncc(Cn4cccn4)n3CC2)c([N+](=O)[O-])c1 ZINC001170338828 1077951979 /nfs/dbraw/zinc/95/19/79/1077951979.db2.gz DFHDYJLIKXYZOE-MRXNPFEDSA-N 1 0 410.478 2.534 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC001170340495 1077952850 /nfs/dbraw/zinc/95/28/50/1077952850.db2.gz MEHGCJSNARRQAS-GZIQRIHMSA-N 1 0 413.474 2.845 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001170347146 1077954864 /nfs/dbraw/zinc/95/48/64/1077954864.db2.gz QOXLNWMFQRFHNI-OAHLLOKOSA-N 1 0 405.495 2.542 20 5 HFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000790264426 1077990168 /nfs/dbraw/zinc/99/01/68/1077990168.db2.gz FGFVIHGXJQSUAA-UHFFFAOYSA-N 1 0 411.886 2.974 20 5 HFBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000792979880 1078032758 /nfs/dbraw/zinc/03/27/58/1078032758.db2.gz KSZNIDIEZXSPKT-MRXNPFEDSA-N 1 0 402.495 2.918 20 5 HFBDRO C[C@@]1(NC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001130614360 1079642123 /nfs/dbraw/zinc/64/21/23/1079642123.db2.gz VUYOAIVVBMFJDV-JOCHJYFZSA-N 1 0 420.473 2.629 20 5 HFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000747375804 1080361396 /nfs/dbraw/zinc/36/13/96/1080361396.db2.gz QULCRKZENMOARO-HBGVWJBISA-N 1 0 416.522 2.909 20 5 HFBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)cnc2Cl)c1 ZINC001164408680 718855175 /nfs/dbraw/zinc/85/51/75/718855175.db2.gz SGJCHZADFFPMJZ-KBXCAEBGSA-N 1 0 424.835 2.873 20 5 HFBDRO CC(C)N(C)Cc1nn(-c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164685843 719615503 /nfs/dbraw/zinc/61/55/03/719615503.db2.gz WQPJBRMNZPYOSD-UHFFFAOYSA-N 1 0 415.885 2.863 20 5 HFBDRO CC(C)N(C)Cc1nn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)c2c1CC[NH2+]C2 ZINC001164679425 719638262 /nfs/dbraw/zinc/63/82/62/719638262.db2.gz AFPWUJRNSLSMCD-UHFFFAOYSA-N 1 0 407.478 2.723 20 5 HFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2 ZINC001164812696 720092387 /nfs/dbraw/zinc/09/23/87/720092387.db2.gz RFQCOLUGYQJOSR-YVEFUNNKSA-N 1 0 416.309 2.876 20 5 HFBDRO COc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164842603 720532715 /nfs/dbraw/zinc/53/27/15/720532715.db2.gz YQSKEICYUPKELL-IXDOHACOSA-N 1 0 400.483 2.573 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744118 720811591 /nfs/dbraw/zinc/81/15/91/720811591.db2.gz HKUOQRYBMRAOOD-BHYGNILZSA-N 1 0 417.901 2.614 20 5 HFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc([N+](=O)[O-])cc5)nn4)C[C@@H]3C2)cn1 ZINC001164771442 721193224 /nfs/dbraw/zinc/19/32/24/721193224.db2.gz PXAINCJWQJUVTF-MOPGFXCFSA-N 1 0 419.489 2.744 20 5 HFBDRO Cc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164887700 721400472 /nfs/dbraw/zinc/40/04/72/721400472.db2.gz MLRMWIDGCQIVNV-OXQOHEQNSA-N 1 0 423.945 2.717 20 5 HFBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001164786875 721453923 /nfs/dbraw/zinc/45/39/23/721453923.db2.gz OHKAIGSZMXKTCQ-GOSISDBHSA-N 1 0 404.511 2.724 20 5 HFBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001164788574 721454057 /nfs/dbraw/zinc/45/40/57/721454057.db2.gz RLXQKHJVGJASIZ-GOSISDBHSA-N 1 0 422.501 2.863 20 5 HFBDRO Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164900164 721510659 /nfs/dbraw/zinc/51/06/59/721510659.db2.gz OSDGJLYNXZJFLC-UKRRQHHQSA-N 1 0 407.833 2.828 20 5 HFBDRO Cc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164912649 721732932 /nfs/dbraw/zinc/73/29/32/721732932.db2.gz PDAOUSQYHPKROM-SFHVURJKSA-N 1 0 404.421 2.826 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979790 722110798 /nfs/dbraw/zinc/11/07/98/722110798.db2.gz QARZBAIMOHEPJE-RDJZCZTQSA-N 1 0 403.870 2.766 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2cccc(C[NH+](C)C)c2)c(C)c1[N+](=O)[O-] ZINC000790829205 1078158982 /nfs/dbraw/zinc/15/89/82/1078158982.db2.gz UHZATRYNSFMPCN-UHFFFAOYSA-N 1 0 422.463 2.660 20 5 HFBDRO C[NH+](C)C1(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCC1 ZINC000790831779 1078160334 /nfs/dbraw/zinc/16/03/34/1078160334.db2.gz WBIDFERYBZTSOH-UHFFFAOYSA-N 1 0 411.300 2.909 20 5 HFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790870829 1078167521 /nfs/dbraw/zinc/16/75/21/1078167521.db2.gz MGBPICCUCVRBGA-UHFFFAOYSA-N 1 0 416.500 2.862 20 5 HFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170435602 1078213836 /nfs/dbraw/zinc/21/38/36/1078213836.db2.gz RDAJYTCYUIZRAV-HNAYVOBHSA-N 1 0 413.478 2.552 20 5 HFBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000793599404 1078220673 /nfs/dbraw/zinc/22/06/73/1078220673.db2.gz PXFJQYCWACMBFQ-NRFANRHFSA-N 1 0 407.430 2.628 20 5 HFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446211 1078511161 /nfs/dbraw/zinc/51/11/61/1078511161.db2.gz AUCOVYPIRJVXDI-LJQANCHMSA-N 1 0 412.465 2.766 20 5 HFBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000805751009 1079230713 /nfs/dbraw/zinc/23/07/13/1079230713.db2.gz XLPXHVYAJVVWIP-UTKZUKDTSA-N 1 0 409.490 2.722 20 5 HFBDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc4c(c([N+](=O)[O-])c3)NN(C)C4)cc2)CC1 ZINC001170500287 1079475126 /nfs/dbraw/zinc/47/51/26/1079475126.db2.gz MGENSLNJPRFXPA-QQFBHYJXSA-N 1 0 424.505 2.739 20 5 HFBDRO Cc1c(F)cc([N+](=O)[O-])cc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001170075750 1076897221 /nfs/dbraw/zinc/89/72/21/1076897221.db2.gz HZNJOSLVYPSUCT-UHFFFAOYSA-N 1 0 404.423 2.745 20 5 HFBDRO O=C(NC1CCCCC1)[C@H](Cc1ccccc1)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001170076548 1076910339 /nfs/dbraw/zinc/91/03/39/1076910339.db2.gz KGGAHPIMQOBEBK-SFHVURJKSA-N 1 0 424.505 2.544 20 5 HFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000746715406 1077002428 /nfs/dbraw/zinc/00/24/28/1077002428.db2.gz RFFHGQQVLXLOBP-OAHLLOKOSA-N 1 0 402.407 2.874 20 5 HFBDRO C[C@H]([NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788609108 1077205923 /nfs/dbraw/zinc/20/59/23/1077205923.db2.gz OYIMRIPWUMXSPW-INIZCTEOSA-N 1 0 403.527 2.552 20 5 HFBDRO CCOC(=O)[C@H]1[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000788588973 1077214356 /nfs/dbraw/zinc/21/43/56/1077214356.db2.gz PBNMPWQNSRKRIW-DLBZAZTESA-N 1 0 407.467 2.668 20 5 HFBDRO CC(C)(CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000790936807 1077240785 /nfs/dbraw/zinc/24/07/85/1077240785.db2.gz QUZRVOKHWNYYDD-UHFFFAOYSA-N 1 0 420.329 2.758 20 5 HFBDRO CCOC(=O)[C@H]1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCN1C(=O)OC(C)(C)C ZINC000788778636 1077298977 /nfs/dbraw/zinc/29/89/77/1077298977.db2.gz TXAQXZIXIRBSRG-DOTOQJQBSA-N 1 0 407.467 2.934 20 5 HFBDRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788921005 1077336420 /nfs/dbraw/zinc/33/64/20/1077336420.db2.gz UWVOJZQRILACMQ-NSHDSACASA-N 1 0 406.302 2.510 20 5 HFBDRO COc1cnc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)cc1[N+](=O)[O-] ZINC001170150645 1077344537 /nfs/dbraw/zinc/34/45/37/1077344537.db2.gz LFGLPSHXTNHZFP-UHFFFAOYSA-N 1 0 407.434 2.908 20 5 HFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000791826773 1077575818 /nfs/dbraw/zinc/57/58/18/1077575818.db2.gz FKJFGXFPGCYDKJ-DYESRHJHSA-N 1 0 408.458 2.726 20 5 HFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000792119212 1077713114 /nfs/dbraw/zinc/71/31/14/1077713114.db2.gz HAZATMOOSXIHAN-UHFFFAOYSA-N 1 0 401.410 2.769 20 5 HFBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c([N+](=O)[O-])c1 ZINC001170327713 1077944295 /nfs/dbraw/zinc/94/42/95/1077944295.db2.gz HDCUGUBVHNFRNN-KRWDZBQOSA-N 1 0 424.501 2.963 20 5 HFBDRO COCCN1CCOC[C@@]2(CCC[N@@H+]([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001170336535 1077947415 /nfs/dbraw/zinc/94/74/15/1077947415.db2.gz YUPNWJSATYUELM-GCJKJVERSA-N 1 0 421.538 2.595 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCn3cnc(Cn4cccn4)c3C2)c([N+](=O)[O-])c1 ZINC001170342030 1077953654 /nfs/dbraw/zinc/95/36/54/1077953654.db2.gz LNQMBUVPJADONB-INIZCTEOSA-N 1 0 410.478 2.882 20 5 HFBDRO C[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1Cc1ccccc1 ZINC000792943748 1078023128 /nfs/dbraw/zinc/02/31/28/1078023128.db2.gz TWQVZLSGKCJRNQ-SFHVURJKSA-N 1 0 400.454 2.921 20 5 HFBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000792979879 1078032800 /nfs/dbraw/zinc/03/28/00/1078032800.db2.gz KSZNIDIEZXSPKT-INIZCTEOSA-N 1 0 402.495 2.918 20 5 HFBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000792967110 1078038181 /nfs/dbraw/zinc/03/81/81/1078038181.db2.gz QOWLOFPLPMFKRA-INIZCTEOSA-N 1 0 402.495 2.918 20 5 HFBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F)c1ccco1 ZINC000807311006 1080504405 /nfs/dbraw/zinc/50/44/05/1080504405.db2.gz XFELXELWBHGPFP-FZMZJTMJSA-N 1 0 406.414 2.819 20 5 HFBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000807413458 1080612416 /nfs/dbraw/zinc/61/24/16/1080612416.db2.gz OXPJHUBCHJVJBH-UHFFFAOYSA-N 1 0 406.414 2.554 20 5 HFBDRO COc1nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)ncc1[N+](=O)[O-] ZINC001164694060 719803592 /nfs/dbraw/zinc/80/35/92/719803592.db2.gz WXBKPPBZYVXSDL-UHFFFAOYSA-N 1 0 404.496 2.793 20 5 HFBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc([N+](=O)[O-])c3ccccc31)CCC2 ZINC001164812613 720221077 /nfs/dbraw/zinc/22/10/77/720221077.db2.gz HKPSRSHBDHPJAX-UHFFFAOYSA-N 1 0 422.489 2.950 20 5 HFBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccccc3cc1[N+](=O)[O-])CCC2 ZINC001164814510 720231012 /nfs/dbraw/zinc/23/10/12/720231012.db2.gz WJDQJBFXJBHBRD-UHFFFAOYSA-N 1 0 422.489 2.950 20 5 HFBDRO COc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164842008 720658370 /nfs/dbraw/zinc/65/83/70/720658370.db2.gz RPJZOJVRPACSFK-KRWDZBQOSA-N 1 0 413.478 2.653 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164748706 720810600 /nfs/dbraw/zinc/81/06/00/720810600.db2.gz RBPAACHPIDCUEE-BHYGNILZSA-N 1 0 417.901 2.614 20 5 HFBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]2C1 ZINC001164853725 720843523 /nfs/dbraw/zinc/84/35/23/720843523.db2.gz OSXVMRDVWYWJJQ-UZLBHIALSA-N 1 0 400.479 2.625 20 5 HFBDRO Cc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164887698 721400085 /nfs/dbraw/zinc/40/00/85/721400085.db2.gz MLRMWIDGCQIVNV-JXFKEZNVSA-N 1 0 423.945 2.717 20 5 HFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891912 721402081 /nfs/dbraw/zinc/40/20/81/721402081.db2.gz WNTWBZGXAPWUPM-JXFKEZNVSA-N 1 0 423.945 2.717 20 5 HFBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@H]2CCCO[C@@H]12 ZINC001164809904 721563553 /nfs/dbraw/zinc/56/35/53/721563553.db2.gz YAHCURONFUXHQQ-YRISNDGFSA-N 1 0 408.462 2.734 20 5 HFBDRO COc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164901823 721583296 /nfs/dbraw/zinc/58/32/96/721583296.db2.gz BCFAIGTYVLVSGJ-SFHVURJKSA-N 1 0 420.420 2.526 20 5 HFBDRO Cc1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc2ccc([N+](=O)[O-])cc12 ZINC001165010615 721733532 /nfs/dbraw/zinc/73/35/32/721733532.db2.gz GZOXAXOKCGSLTF-UHFFFAOYSA-N 1 0 411.506 2.974 20 5 HFBDRO O=[N+]([O-])c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(F)c1 ZINC001164963069 722054923 /nfs/dbraw/zinc/05/49/23/722054923.db2.gz GYIFKVWGOKZUGP-UHFFFAOYSA-N 1 0 401.442 2.643 20 5 HFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164980073 722101358 /nfs/dbraw/zinc/10/13/58/722101358.db2.gz JESYCAALRSHABX-QAPCUYQASA-N 1 0 403.870 2.766 20 5 HFBDRO C[NH+](C)CCOCc1ncn2c1CN(c1nccc3ccc([N+](=O)[O-])cc31)CCC2 ZINC001165002889 722255528 /nfs/dbraw/zinc/25/55/28/722255528.db2.gz WDXVGUQLTXAGQK-UHFFFAOYSA-N 1 0 410.478 2.828 20 5 HFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000793002031 1078045410 /nfs/dbraw/zinc/04/54/10/1078045410.db2.gz CPYMVCKRXRWFPA-RHSMWYFYSA-N 1 0 402.495 2.774 20 5 HFBDRO CC[NH+]1CCC(NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000790757893 1078111970 /nfs/dbraw/zinc/11/19/70/1078111970.db2.gz CTBBDNHYBRXGBB-UHFFFAOYSA-N 1 0 411.300 2.909 20 5 HFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790759625 1078112588 /nfs/dbraw/zinc/11/25/88/1078112588.db2.gz HNOFFNLCFWOIJV-GFCCVEGCSA-N 1 0 423.311 2.909 20 5 HFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790769662 1078128654 /nfs/dbraw/zinc/12/86/54/1078128654.db2.gz HQYSXXZFDREYCL-NSHDSACASA-N 1 0 409.284 2.662 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000790852195 1078149730 /nfs/dbraw/zinc/14/97/30/1078149730.db2.gz RETYOLZSFGYHTQ-OAHLLOKOSA-N 1 0 416.500 2.765 20 5 HFBDRO O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000747119324 1078173534 /nfs/dbraw/zinc/17/35/34/1078173534.db2.gz ONRRNQXPKDNDHN-UHFFFAOYSA-N 1 0 415.368 2.513 20 5 HFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790884600 1078170281 /nfs/dbraw/zinc/17/02/81/1078170281.db2.gz ZFNWGLXZFBZPCW-UHFFFAOYSA-N 1 0 416.500 2.862 20 5 HFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000793513198 1078195507 /nfs/dbraw/zinc/19/55/07/1078195507.db2.gz AJIHPZJXYVBWMN-SFHVURJKSA-N 1 0 416.434 2.863 20 5 HFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000805111320 1078896968 /nfs/dbraw/zinc/89/69/68/1078896968.db2.gz ULNVPXVDUHZKKG-FZMZJTMJSA-N 1 0 418.313 2.605 20 5 HFBDRO CCOc1cc([N+](=O)[O-])ccc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001170075212 1076868910 /nfs/dbraw/zinc/86/89/10/1076868910.db2.gz WFGYUSYWGIGMIM-UHFFFAOYSA-N 1 0 416.459 2.696 20 5 HFBDRO CCC[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000790911785 1077246929 /nfs/dbraw/zinc/24/69/29/1077246929.db2.gz LLZMNIWSGZOSRO-AWEZNQCLSA-N 1 0 401.866 2.889 20 5 HFBDRO CCOC(=O)[C@H]1[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000788796108 1077290269 /nfs/dbraw/zinc/29/02/69/1077290269.db2.gz DSIDJELPLOXPNH-NVXWUHKLSA-N 1 0 407.467 2.668 20 5 HFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788821784 1077309211 /nfs/dbraw/zinc/30/92/11/1077309211.db2.gz ZQOFXKGUGPPLDF-JTQLQIEISA-N 1 0 416.862 2.599 20 5 HFBDRO CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c2c[nH+]ccc21 ZINC000791423127 1077395828 /nfs/dbraw/zinc/39/58/28/1077395828.db2.gz RMLKAIZOSVKCRG-UHFFFAOYSA-N 1 0 403.247 2.942 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]CCN2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170294744 1077929601 /nfs/dbraw/zinc/92/96/01/1077929601.db2.gz CFBZMBPTCPFKSK-MRXNPFEDSA-N 1 0 422.526 2.677 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)c([N+](=O)[O-])c1 ZINC001170296205 1077930206 /nfs/dbraw/zinc/93/02/06/1077930206.db2.gz FKOSICRSRNUBLL-HNAYVOBHSA-N 1 0 423.473 2.982 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]CC2(O)CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170297145 1077930769 /nfs/dbraw/zinc/93/07/69/1077930769.db2.gz KKUDJSLKLPJEBM-OAHLLOKOSA-N 1 0 423.510 2.886 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CO)[C@@H](O)c2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC001170305572 1077933391 /nfs/dbraw/zinc/93/33/91/1077933391.db2.gz NIEVDTUZQTTXFL-MJWYBRSISA-N 1 0 406.504 2.940 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@]2(CCO)CCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170315300 1077941148 /nfs/dbraw/zinc/94/11/48/1077941148.db2.gz WTTBOZXLXKCHGG-QVKFZJNVSA-N 1 0 423.510 2.886 20 5 HFBDRO COc1ccc(S(C)(=O)=O)c(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170327195 1077944134 /nfs/dbraw/zinc/94/41/34/1077944134.db2.gz FOEMMIJNCKFGJP-CYBMUJFWSA-N 1 0 408.476 2.736 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]C2(CN)CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170306560 1077947583 /nfs/dbraw/zinc/94/75/83/1077947583.db2.gz XNEKHQAYVRSULN-HNNXBMFYSA-N 1 0 422.526 2.852 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c([N+](=O)[O-])c1 ZINC001170355474 1077948926 /nfs/dbraw/zinc/94/89/26/1077948926.db2.gz GHNDULUJFFDWAC-RDTXWAMCSA-N 1 0 421.494 2.760 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001170355256 1077949034 /nfs/dbraw/zinc/94/90/34/1077949034.db2.gz YIXHBIGZGPFZNK-MAUKXSAKSA-N 1 0 405.495 2.542 20 5 HFBDRO COc1ccc(C[C@H](C)[NH+]2CCC(OCC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170355845 1077949234 /nfs/dbraw/zinc/94/92/34/1077949234.db2.gz RBWTXSRFSMYBRM-INIZCTEOSA-N 1 0 405.495 2.638 20 5 HFBDRO CCO[C@H]1CC[N@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@H]1Cc1cnn(C)c1 ZINC001170339167 1077952326 /nfs/dbraw/zinc/95/23/26/1077952326.db2.gz HVZOAWOHQKYKEH-JHVJFLLYSA-N 1 0 402.495 2.990 20 5 HFBDRO CC[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C1CCCCC1 ZINC001130588727 1079568416 /nfs/dbraw/zinc/56/84/16/1079568416.db2.gz JHVDNZVBHKZMGP-UHFFFAOYSA-N 1 0 411.524 2.773 20 5 HFBDRO COc1cc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000806319155 1079571635 /nfs/dbraw/zinc/57/16/35/1079571635.db2.gz DTWWSQIHIVEFPY-LBPRGKRZSA-N 1 0 418.393 2.718 20 5 HFBDRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000807486540 1080670235 /nfs/dbraw/zinc/67/02/35/1080670235.db2.gz SFMDGHJWQQVPEB-INIZCTEOSA-N 1 0 408.817 2.745 20 5 HFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC001176597705 1126150388 /nfs/dbraw/zinc/15/03/88/1126150388.db2.gz IDTVMNZDSZUZPO-IBGZPJMESA-N 1 0 405.407 2.604 20 5 HFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164632429 719111070 /nfs/dbraw/zinc/11/10/70/719111070.db2.gz ZJYHOAZDQAOCIU-QZTJIDSGSA-N 1 0 410.478 2.752 20 5 HFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164632424 719111154 /nfs/dbraw/zinc/11/11/54/719111154.db2.gz ZJYHOAZDQAOCIU-MSOLQXFVSA-N 1 0 410.478 2.752 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001164823906 720290536 /nfs/dbraw/zinc/29/05/36/720290536.db2.gz QQQNYXWXNPMURH-HZPDHXFCSA-N 1 0 407.902 2.555 20 5 HFBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164825308 720309320 /nfs/dbraw/zinc/30/93/20/720309320.db2.gz TUEDYCCPPIASNP-HZPDHXFCSA-N 1 0 421.929 2.863 20 5 HFBDRO COc1cc2ncnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2cc1[N+](=O)[O-] ZINC001164727732 720387205 /nfs/dbraw/zinc/38/72/05/720387205.db2.gz RFDZRIVOISBCSH-ZWKOTPCHSA-N 1 0 406.446 2.795 20 5 HFBDRO CCOc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164840661 720578298 /nfs/dbraw/zinc/57/82/98/720578298.db2.gz QEYLLVYLWABHPA-RCCFBDPRSA-N 1 0 414.510 2.963 20 5 HFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839914 720701867 /nfs/dbraw/zinc/70/18/67/720701867.db2.gz CUOZAARECNZQBC-IBGZPJMESA-N 1 0 412.490 2.797 20 5 HFBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]2C1 ZINC001164853719 720843485 /nfs/dbraw/zinc/84/34/85/720843485.db2.gz OSXVMRDVWYWJJQ-JXFKEZNVSA-N 1 0 400.479 2.625 20 5 HFBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164857101 720850171 /nfs/dbraw/zinc/85/01/71/720850171.db2.gz XJAPDMUYNVJZCE-YOEHRIQHSA-N 1 0 420.897 2.970 20 5 HFBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164855894 720877068 /nfs/dbraw/zinc/87/70/68/720877068.db2.gz ICMVFLIZCDUKGN-AUUYWEPGSA-N 1 0 420.897 2.970 20 5 HFBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@H]2C1 ZINC001164865020 720888851 /nfs/dbraw/zinc/88/88/51/720888851.db2.gz XXXFACHBZBSSLW-ICSRJNTNSA-N 1 0 412.490 2.830 20 5 HFBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1Cl ZINC001164888339 721401177 /nfs/dbraw/zinc/40/11/77/721401177.db2.gz OIWIBKNGHOCMIV-OXJNMPFZSA-N 1 0 423.945 2.717 20 5 HFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900454 721519790 /nfs/dbraw/zinc/51/97/90/721519790.db2.gz RCDDLNUWJORHDY-UKRRQHHQSA-N 1 0 407.833 2.828 20 5 HFBDRO CCOc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164902602 721546076 /nfs/dbraw/zinc/54/60/76/721546076.db2.gz AKZAZHZWEUYWKD-NVXWUHKLSA-N 1 0 402.426 2.870 20 5 HFBDRO COc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164901822 721583594 /nfs/dbraw/zinc/58/35/94/721583594.db2.gz BCFAIGTYVLVSGJ-GOSISDBHSA-N 1 0 420.420 2.526 20 5 HFBDRO O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164983362 722103822 /nfs/dbraw/zinc/10/38/22/722103822.db2.gz PQOVUBLJVUJMKD-DYESRHJHSA-N 1 0 420.473 2.660 20 5 HFBDRO O=[N+]([O-])c1ccc2ncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164983368 722103854 /nfs/dbraw/zinc/10/38/54/722103854.db2.gz PQOVUBLJVUJMKD-UWJYYQICSA-N 1 0 420.473 2.660 20 5 HFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164973950 722152491 /nfs/dbraw/zinc/15/24/91/722152491.db2.gz NOOVZROTYPFFQQ-YLJYHZDGSA-N 1 0 420.473 2.660 20 5 HFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000793112310 1078082777 /nfs/dbraw/zinc/08/27/77/1078082777.db2.gz ZKFLSNHJQJJNMZ-MRXNPFEDSA-N 1 0 420.853 2.614 20 5 HFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000790836958 1078140416 /nfs/dbraw/zinc/14/04/16/1078140416.db2.gz VIYFKWLMJNMOFO-UHFFFAOYSA-N 1 0 414.484 2.615 20 5 HFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000804530629 1078569242 /nfs/dbraw/zinc/56/92/42/1078569242.db2.gz JQUDDMRRFUUUCD-UHFFFAOYSA-N 1 0 405.252 2.709 20 5 HFBDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000804788090 1078644226 /nfs/dbraw/zinc/64/42/26/1078644226.db2.gz UXVYLWDAOWCOIT-UHFFFAOYSA-N 1 0 423.517 2.734 20 5 HFBDRO COC(=O)c1cc(C)nc(Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)c1[N+](=O)[O-] ZINC000804612421 1078660087 /nfs/dbraw/zinc/66/00/87/1078660087.db2.gz RKNCHQSRVDEXIL-UHFFFAOYSA-N 1 0 414.462 2.957 20 5 HFBDRO COc1cc(OCC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001130124877 1078975263 /nfs/dbraw/zinc/97/52/63/1078975263.db2.gz NHUYLRZZYYYURY-XLIONFOSSA-N 1 0 411.458 2.715 20 5 HFBDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000787808205 1076943499 /nfs/dbraw/zinc/94/34/99/1076943499.db2.gz DLZHCQPSSRYTBR-SECBINFHSA-N 1 0 406.224 2.661 20 5 HFBDRO CN(C)c1cc(F)c(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000791222116 1077334744 /nfs/dbraw/zinc/33/47/44/1077334744.db2.gz PAQTWYDSHYIISW-UHFFFAOYSA-N 1 0 422.501 2.812 20 5 HFBDRO CN(C)c1cc(F)c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000791210398 1077345318 /nfs/dbraw/zinc/34/53/18/1077345318.db2.gz HNNIPNOCLLNZDB-UHFFFAOYSA-N 1 0 400.454 2.978 20 5 HFBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC000791295307 1077360175 /nfs/dbraw/zinc/36/01/75/1077360175.db2.gz VCPSGJNFLBTRFO-UHFFFAOYSA-N 1 0 423.473 2.734 20 5 HFBDRO C[NH+]1CCC(NC(=S)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000789336189 1077527036 /nfs/dbraw/zinc/52/70/36/1077527036.db2.gz BUNZZQARAROOLD-UHFFFAOYSA-N 1 0 413.341 2.684 20 5 HFBDRO Cc1c(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170166325 1077860473 /nfs/dbraw/zinc/86/04/73/1077860473.db2.gz GEBZZSMECCXGCJ-UHFFFAOYSA-N 1 0 400.395 2.680 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c([N+](=O)[O-])c1 ZINC001170295202 1077929903 /nfs/dbraw/zinc/92/99/03/1077929903.db2.gz AXUSCYINZKZHBV-WITVHBPWSA-N 1 0 421.494 2.758 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCOC23CN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])c1 ZINC001170298263 1077931147 /nfs/dbraw/zinc/93/11/47/1077931147.db2.gz HYVCQTVNVXICBE-KSSFIOAISA-N 1 0 421.494 2.902 20 5 HFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170278911 1077935102 /nfs/dbraw/zinc/93/51/02/1077935102.db2.gz SUKYHOJYQYBQTR-SPYBWZPUSA-N 1 0 421.885 2.572 20 5 HFBDRO CCOC(=O)c1cc2n(n1)CCC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC001170336134 1077947201 /nfs/dbraw/zinc/94/72/01/1077947201.db2.gz UKWXKJNZAODXHN-AWEZNQCLSA-N 1 0 402.451 2.814 20 5 HFBDRO COc1ccc(C[C@@H](C)n2nc(C(=O)NC3CCC3)c3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001170340864 1077953071 /nfs/dbraw/zinc/95/30/71/1077953071.db2.gz HCRGWOZTNNLKGH-CYBMUJFWSA-N 1 0 413.478 2.532 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341838 1077953583 /nfs/dbraw/zinc/95/35/83/1077953583.db2.gz SNDKGMUSZJDFOT-SGXKBVARSA-N 1 0 415.490 2.960 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170342884 1077953619 /nfs/dbraw/zinc/95/36/19/1077953619.db2.gz XNJCZDKLIOFRHH-CDMIOBSGSA-N 1 0 413.474 2.957 20 5 HFBDRO CCOC(=O)c1cnn(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001170387812 1077957622 /nfs/dbraw/zinc/95/76/22/1077957622.db2.gz VLXRSFGYYDFHEV-UHFFFAOYSA-N 1 0 415.450 2.634 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000790385287 1078011160 /nfs/dbraw/zinc/01/11/60/1078011160.db2.gz GIWMHKFTFOPXDS-UHFFFAOYSA-N 1 0 414.484 2.520 20 5 HFBDRO CCOc1cc(N2CCN(C(=O)NC[C@H](C)[NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000792893196 1078018182 /nfs/dbraw/zinc/01/81/82/1078018182.db2.gz NGRDYWVXFXIGNV-KRWDZBQOSA-N 1 0 419.526 2.700 20 5 HFBDRO CCOc1cc(N2CCN(C(=O)NC[C@@H](C)[NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000792893197 1078018240 /nfs/dbraw/zinc/01/82/40/1078018240.db2.gz NGRDYWVXFXIGNV-QGZVFWFLSA-N 1 0 419.526 2.700 20 5 HFBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000792955092 1078034999 /nfs/dbraw/zinc/03/49/99/1078034999.db2.gz BDXRLWKIMISTGA-UHFFFAOYSA-N 1 0 411.462 2.575 20 5 HFBDRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000806252460 1079521543 /nfs/dbraw/zinc/52/15/43/1079521543.db2.gz GNQAAUWSQQYQSJ-UHFFFAOYSA-N 1 0 414.890 2.839 20 5 HFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(N=C2CC[NH2+]CC2C(=O)OCC)n1 ZINC001170513042 1080074406 /nfs/dbraw/zinc/07/44/06/1080074406.db2.gz FEQHTBBAUXHFBE-UHFFFAOYSA-N 1 0 401.876 2.763 20 5 HFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000807355665 1080518121 /nfs/dbraw/zinc/51/81/21/1080518121.db2.gz UFCGSOYJWAUKON-GDBMZVCRSA-N 1 0 402.495 2.916 20 5 HFBDRO O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000807469098 1080645692 /nfs/dbraw/zinc/64/56/92/1080645692.db2.gz DCRVZQZIQKEPCY-OAHLLOKOSA-N 1 0 421.837 2.951 20 5 HFBDRO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000807543390 1080757932 /nfs/dbraw/zinc/75/79/32/1080757932.db2.gz GICDAXCOVKPGJX-DYVFJYSZSA-N 1 0 416.865 2.966 20 5 HFBDRO C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000807543391 1080758239 /nfs/dbraw/zinc/75/82/39/1080758239.db2.gz GICDAXCOVKPGJX-GUYCJALGSA-N 1 0 416.865 2.966 20 5 HFBDRO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164400054 718843859 /nfs/dbraw/zinc/84/38/59/718843859.db2.gz OLPLNFKTKDQUCW-LJQANCHMSA-N 1 0 419.485 2.816 20 5 HFBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2c1C ZINC001164635940 719246740 /nfs/dbraw/zinc/24/67/40/719246740.db2.gz RLEMWGXFZQIJAU-NEPJUHHUSA-N 1 0 415.523 2.990 20 5 HFBDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832433 720509284 /nfs/dbraw/zinc/50/92/84/720509284.db2.gz AQBZNKHBFSPOMW-SOUVJXGZSA-N 1 0 405.890 2.613 20 5 HFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839917 720701295 /nfs/dbraw/zinc/70/12/95/720701295.db2.gz CUOZAARECNZQBC-LJQANCHMSA-N 1 0 412.490 2.797 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164748708 720810521 /nfs/dbraw/zinc/81/05/21/720810521.db2.gz RBPAACHPIDCUEE-HYVNUMGLSA-N 1 0 417.901 2.614 20 5 HFBDRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164868385 721071149 /nfs/dbraw/zinc/07/11/49/721071149.db2.gz OFVZLANRIOSRSK-JKSUJKDBSA-N 1 0 403.870 2.826 20 5 HFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164762587 721120072 /nfs/dbraw/zinc/12/00/72/721120072.db2.gz CYIAFXNBXVORQJ-CHWSQXEVSA-N 1 0 411.293 2.988 20 5 HFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164762612 721121315 /nfs/dbraw/zinc/12/13/15/721121315.db2.gz CYIAFXNBXVORQJ-STQMWFEESA-N 1 0 411.293 2.988 20 5 HFBDRO Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164912647 721732756 /nfs/dbraw/zinc/73/27/56/721732756.db2.gz PDAOUSQYHPKROM-GOSISDBHSA-N 1 0 404.421 2.826 20 5 HFBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cnc2c1 ZINC001164984296 722105863 /nfs/dbraw/zinc/10/58/63/722105863.db2.gz SCZREBIOCJGIAW-UTKZUKDTSA-N 1 0 420.473 2.660 20 5 HFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164973184 722112153 /nfs/dbraw/zinc/11/21/53/722112153.db2.gz GTEBHMPFDURTHC-UWJYYQICSA-N 1 0 420.473 2.660 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000790835376 1078161238 /nfs/dbraw/zinc/16/12/38/1078161238.db2.gz CRDGWMUSZGGZRE-UHFFFAOYSA-N 1 0 414.484 2.663 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790879543 1078169117 /nfs/dbraw/zinc/16/91/17/1078169117.db2.gz GYMBJBAIVOPMTI-NWDGAFQWSA-N 1 0 414.484 2.519 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000790862299 1078179747 /nfs/dbraw/zinc/17/97/47/1078179747.db2.gz RTYZPDLYESHJLR-UHFFFAOYSA-N 1 0 414.484 2.519 20 5 HFBDRO CN(c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000804529742 1078567802 /nfs/dbraw/zinc/56/78/02/1078567802.db2.gz JBKRKWRZHMPJDL-QGZVFWFLSA-N 1 0 409.490 2.886 20 5 HFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804808519 1078637506 /nfs/dbraw/zinc/63/75/06/1078637506.db2.gz IPCGITXVGABPQF-SFHVURJKSA-N 1 0 411.462 2.900 20 5 HFBDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000805761454 1079262935 /nfs/dbraw/zinc/26/29/35/1079262935.db2.gz WARLWPHVYFICEJ-INIZCTEOSA-N 1 0 422.482 2.875 20 5 HFBDRO NC(=O)c1ccc(NCCOC(=O)c2ccc(C[NH+]3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000805885139 1079338720 /nfs/dbraw/zinc/33/87/20/1079338720.db2.gz ZDCAWGTYZZCYKW-UHFFFAOYSA-N 1 0 412.446 2.558 20 5 HFBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787329229 1076742637 /nfs/dbraw/zinc/74/26/37/1076742637.db2.gz WAXNFSCRHNLMTG-MRXNPFEDSA-N 1 0 414.428 2.906 20 5 HFBDRO [NH3+]CCN(c1cc([N+](=O)[O-])cc2cc[nH]c21)S(=O)(=O)c1cccc2cnccc21 ZINC001170072732 1076806008 /nfs/dbraw/zinc/80/60/08/1076806008.db2.gz FRAZCTGIUBVNBQ-UHFFFAOYSA-N 1 0 411.443 2.778 20 5 HFBDRO CCC[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000790911786 1077246984 /nfs/dbraw/zinc/24/69/84/1077246984.db2.gz LLZMNIWSGZOSRO-CQSZACIVSA-N 1 0 401.866 2.889 20 5 HFBDRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788921002 1077336403 /nfs/dbraw/zinc/33/64/03/1077336403.db2.gz UWVOJZQRILACMQ-LLVKDONJSA-N 1 0 406.302 2.510 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000788967073 1077365953 /nfs/dbraw/zinc/36/59/53/1077365953.db2.gz ZYOLNLZIWHSLAD-HNNXBMFYSA-N 1 0 423.466 2.636 20 5 HFBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000791974731 1077615924 /nfs/dbraw/zinc/61/59/24/1077615924.db2.gz GKCGXXNPUDRUPQ-FPOVZHCZSA-N 1 0 422.485 2.858 20 5 HFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789524536 1077620902 /nfs/dbraw/zinc/62/09/02/1077620902.db2.gz GGYDCEGRFDSXCM-IBGZPJMESA-N 1 0 414.437 2.795 20 5 HFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000792042812 1077690209 /nfs/dbraw/zinc/69/02/09/1077690209.db2.gz ZGQWLFDNBQFXDO-UHFFFAOYSA-N 1 0 414.300 2.930 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001170329247 1077944565 /nfs/dbraw/zinc/94/45/65/1077944565.db2.gz YHFXWRPAFOZJLD-ATZDWAIDSA-N 1 0 419.522 2.978 20 5 HFBDRO COc1ccc(C[C@H](C)[N@H+]2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170336372 1077947407 /nfs/dbraw/zinc/94/74/07/1077947407.db2.gz XDAMHEDDXNQODY-JGGXIQRISA-N 1 0 417.506 2.636 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]C2(CN)CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170306561 1077947660 /nfs/dbraw/zinc/94/76/60/1077947660.db2.gz XNEKHQAYVRSULN-OAHLLOKOSA-N 1 0 422.526 2.852 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170339851 1077952551 /nfs/dbraw/zinc/95/25/51/1077952551.db2.gz KAOZKTBOMHPEFQ-DBVUQKKJSA-N 1 0 413.522 2.722 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170342885 1077953690 /nfs/dbraw/zinc/95/36/90/1077953690.db2.gz XNJCZDKLIOFRHH-CECAUBDESA-N 1 0 413.474 2.957 20 5 HFBDRO COc1ccc(C[C@H](C)[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001170347145 1077954891 /nfs/dbraw/zinc/95/48/91/1077954891.db2.gz QOXLNWMFQRFHNI-HNNXBMFYSA-N 1 0 405.495 2.542 20 5 HFBDRO Cc1c(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000747095872 1078039046 /nfs/dbraw/zinc/03/90/46/1078039046.db2.gz VCVXFXJYOIXAHR-QGZVFWFLSA-N 1 0 420.510 2.756 20 5 HFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000747331960 1079749063 /nfs/dbraw/zinc/74/90/63/1079749063.db2.gz GHNHLONHCOOUNP-UHFFFAOYSA-N 1 0 402.495 2.522 20 5 HFBDRO O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000807469097 1080645806 /nfs/dbraw/zinc/64/58/06/1080645806.db2.gz DCRVZQZIQKEPCY-HNNXBMFYSA-N 1 0 421.837 2.951 20 5 HFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 ZINC000807563281 1080818652 /nfs/dbraw/zinc/81/86/52/1080818652.db2.gz BMDXHZLQOOQXRD-MRXNPFEDSA-N 1 0 402.407 2.853 20 5 HFBDRO Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164836620 720508656 /nfs/dbraw/zinc/50/86/56/720508656.db2.gz NHAHCBBXVANOCI-OWCLPIDISA-N 1 0 419.917 2.921 20 5 HFBDRO COc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001164835429 720535870 /nfs/dbraw/zinc/53/58/70/720535870.db2.gz HJFUTQAYIXDVED-JFIYKMOQSA-N 1 0 400.483 2.573 20 5 HFBDRO COc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001164835433 720536245 /nfs/dbraw/zinc/53/62/45/720536245.db2.gz HJFUTQAYIXDVED-SOLBZPMBSA-N 1 0 400.483 2.573 20 5 HFBDRO CSc1nc(Cl)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1[N+](=O)[O-] ZINC001164727268 720567600 /nfs/dbraw/zinc/56/76/00/720567600.db2.gz CLOKXTPMRPADEV-UHFFFAOYSA-N 1 0 423.930 2.615 20 5 HFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737959 720816604 /nfs/dbraw/zinc/81/66/04/720816604.db2.gz CSBYLUHSKSXBIA-ARFHVFGLSA-N 1 0 417.901 2.614 20 5 HFBDRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164868383 721071786 /nfs/dbraw/zinc/07/17/86/721071786.db2.gz OFVZLANRIOSRSK-HZPDHXFCSA-N 1 0 403.870 2.826 20 5 HFBDRO Cc1ncc([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906198 721700639 /nfs/dbraw/zinc/70/06/39/721700639.db2.gz MADRKYDBVXDQQX-GOSISDBHSA-N 1 0 404.421 2.826 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164981799 722100724 /nfs/dbraw/zinc/10/07/24/722100724.db2.gz MMJFDQLEIIJXKB-DOTOQJQBSA-N 1 0 403.870 2.766 20 5 HFBDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790613519 1078076541 /nfs/dbraw/zinc/07/65/41/1078076541.db2.gz DCYQMFJUKDCDNH-UHFFFAOYSA-N 1 0 417.865 2.662 20 5 HFBDRO Cc1cn(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000772829098 1078100831 /nfs/dbraw/zinc/10/08/31/1078100831.db2.gz RGRDNTNQQQRTTR-MJGOQNOKSA-N 1 0 411.506 2.762 20 5 HFBDRO Cc1cn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000772829094 1078100317 /nfs/dbraw/zinc/10/03/17/1078100317.db2.gz RGRDNTNQQQRTTR-HKUYNNGSSA-N 1 0 411.506 2.762 20 5 HFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000790770028 1078128499 /nfs/dbraw/zinc/12/84/99/1078128499.db2.gz NYJMMAYUKXAELE-LBPRGKRZSA-N 1 0 411.300 2.767 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000790849223 1078147721 /nfs/dbraw/zinc/14/77/21/1078147721.db2.gz ABUDQCPKWJKRHH-UHFFFAOYSA-N 1 0 416.500 2.907 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000790856291 1078151865 /nfs/dbraw/zinc/15/18/65/1078151865.db2.gz IWKYKHPVHCIAIX-UHFFFAOYSA-N 1 0 414.484 2.615 20 5 HFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC001170467672 1078634286 /nfs/dbraw/zinc/63/42/86/1078634286.db2.gz KMECBJUIPSPHTB-UHFFFAOYSA-N 1 0 412.494 2.715 20 5 HFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000747216146 1078666715 /nfs/dbraw/zinc/66/67/15/1078666715.db2.gz LSZMEBJNYOFEHU-UHFFFAOYSA-N 1 0 402.470 2.997 20 5 HFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001129742715 1078715269 /nfs/dbraw/zinc/71/52/69/1078715269.db2.gz PXZGUNKGOKTOBH-UHFFFAOYSA-N 1 0 424.501 2.839 20 5 HFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000805111610 1078895935 /nfs/dbraw/zinc/89/59/35/1078895935.db2.gz ZPLQYMQTCIQKIQ-SMDDNHRTSA-N 1 0 418.313 2.605 20 5 HFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000805111321 1078896934 /nfs/dbraw/zinc/89/69/34/1078896934.db2.gz ULNVPXVDUHZKKG-RISCZKNCSA-N 1 0 418.313 2.605 20 5 HFBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000805750933 1079230628 /nfs/dbraw/zinc/23/06/28/1079230628.db2.gz XLPXHVYAJVVWIP-DYESRHJHSA-N 1 0 409.490 2.722 20 5 HFBDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000805774964 1079248308 /nfs/dbraw/zinc/24/83/08/1079248308.db2.gz WQGWCMJKLJWIRJ-INIZCTEOSA-N 1 0 420.466 2.884 20 5 HFBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787307529 1076755040 /nfs/dbraw/zinc/75/50/40/1076755040.db2.gz PQQHPKOVLWZRGD-RTBURBONSA-N 1 0 406.552 2.897 20 5 HFBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787307519 1076755102 /nfs/dbraw/zinc/75/51/02/1076755102.db2.gz PQQHPKOVLWZRGD-RBUKOAKNSA-N 1 0 406.552 2.897 20 5 HFBDRO CS[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000790930125 1077237693 /nfs/dbraw/zinc/23/76/93/1077237693.db2.gz KBOYMCRXPWEWQC-HOTGVXAUSA-N 1 0 401.891 2.968 20 5 HFBDRO CS[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000790930129 1077237737 /nfs/dbraw/zinc/23/77/37/1077237737.db2.gz KBOYMCRXPWEWQC-JKSUJKDBSA-N 1 0 401.891 2.968 20 5 HFBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)c1 ZINC000788665133 1077259523 /nfs/dbraw/zinc/25/95/23/1077259523.db2.gz MVBKNGSDUHLEPX-SGTLLEGYSA-N 1 0 400.435 2.650 20 5 HFBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000791337730 1077378307 /nfs/dbraw/zinc/37/83/07/1077378307.db2.gz VIZFVKIHGRAKQD-UHFFFAOYSA-N 1 0 402.407 2.716 20 5 HFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000789517698 1077612498 /nfs/dbraw/zinc/61/24/98/1077612498.db2.gz NSBLJVNMEAKQRP-FQEVSTJZSA-N 1 0 410.474 2.965 20 5 HFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789521176 1077615118 /nfs/dbraw/zinc/61/51/18/1077615118.db2.gz LBYOJTNERUHALR-FQEVSTJZSA-N 1 0 410.474 2.965 20 5 HFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CCO)Cc2ccc(Br)s2)c1 ZINC000792485100 1077878036 /nfs/dbraw/zinc/87/80/36/1077878036.db2.gz SPIKUNZEAFEKBD-AWEZNQCLSA-N 1 0 401.282 2.947 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c([N+](=O)[O-])c1 ZINC001170295201 1077929920 /nfs/dbraw/zinc/92/99/20/1077929920.db2.gz AXUSCYINZKZHBV-UEILYKACSA-N 1 0 421.494 2.758 20 5 HFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170278910 1077935082 /nfs/dbraw/zinc/93/50/82/1077935082.db2.gz SUKYHOJYQYBQTR-CLCXKQKWSA-N 1 0 421.885 2.572 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CC2)CN(CC2CC2)C(=O)CO3)c([N+](=O)[O-])c1 ZINC001170340851 1077953074 /nfs/dbraw/zinc/95/30/74/1077953074.db2.gz GSXCHKPNQXRWGY-MRXNPFEDSA-N 1 0 417.506 2.638 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c([N+](=O)[O-])c1 ZINC001170340860 1077953116 /nfs/dbraw/zinc/95/31/16/1077953116.db2.gz GWVRXNAWBHWSRI-VHSSKADRSA-N 1 0 416.503 2.980 20 5 HFBDRO CCN1C(=O)[C@]2(CC[C@@H]3C[N@@H+]([C@@H](C)Cc4ccc(OC)cc4[N+](=O)[O-])C[C@@H]32)N=C1C ZINC001170341863 1077953613 /nfs/dbraw/zinc/95/36/13/1077953613.db2.gz SURYYMQVKGHICO-PONRLDDASA-N 1 0 414.506 2.896 20 5 HFBDRO CCN1CC2(CC[NH+]([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)[C@@H](COC)C1=O ZINC001170343971 1077953942 /nfs/dbraw/zinc/95/39/42/1077953942.db2.gz VZCNCFFSXVJSCA-APWZRJJASA-N 1 0 419.522 2.741 20 5 HFBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000772824741 1078039662 /nfs/dbraw/zinc/03/96/62/1078039662.db2.gz CBSCKJRSURNORZ-DYESRHJHSA-N 1 0 409.490 2.725 20 5 HFBDRO [NH3+]CCOCCOCCNc1cnc(Cl)nc1Sc1ccc([N+](=O)[O-])cc1 ZINC001170508391 1079739029 /nfs/dbraw/zinc/73/90/29/1079739029.db2.gz RGIVBCMMLRWUOI-UHFFFAOYSA-N 1 0 413.887 2.593 20 5 HFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc4cc([N+](=O)[O-])ccc4n3)CC2)CC1 ZINC001164613727 719023280 /nfs/dbraw/zinc/02/32/80/719023280.db2.gz AUEJFMOLEAMASW-UHFFFAOYSA-N 1 0 413.478 2.782 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001164823902 720290649 /nfs/dbraw/zinc/29/06/49/720290649.db2.gz QQQNYXWXNPMURH-CVEARBPZSA-N 1 0 407.902 2.555 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001164822640 720291419 /nfs/dbraw/zinc/29/14/19/720291419.db2.gz NURLFQNSCNLNGJ-SJORKVTESA-N 1 0 407.902 2.555 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001164820989 720291886 /nfs/dbraw/zinc/29/18/86/720291886.db2.gz INTZUULIMZNSPZ-JKSUJKDBSA-N 1 0 407.902 2.555 20 5 HFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825400 720323260 /nfs/dbraw/zinc/32/32/60/720323260.db2.gz DPLXDDJKFNBMLW-ZWKOTPCHSA-N 1 0 401.511 2.518 20 5 HFBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001164733201 720510829 /nfs/dbraw/zinc/51/08/29/720510829.db2.gz YHFDXBRCBVAEQK-LBPRGKRZSA-N 1 0 401.858 2.586 20 5 HFBDRO COc1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164842963 720535660 /nfs/dbraw/zinc/53/56/60/720535660.db2.gz ZFCOPEXBEFVMBF-OKZBNKHCSA-N 1 0 414.510 2.881 20 5 HFBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164857098 720850164 /nfs/dbraw/zinc/85/01/64/720850164.db2.gz XJAPDMUYNVJZCE-PBHICJAKSA-N 1 0 420.897 2.970 20 5 HFBDRO Cc1cc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164866836 721072255 /nfs/dbraw/zinc/07/22/55/721072255.db2.gz GFZPKOVLPWBYJQ-HZPDHXFCSA-N 1 0 403.870 2.826 20 5 HFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164772635 721099613 /nfs/dbraw/zinc/09/96/13/721099613.db2.gz VJDGFNFWZCIUSA-STQMWFEESA-N 1 0 411.293 2.988 20 5 HFBDRO Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164900166 721511335 /nfs/dbraw/zinc/51/13/35/721511335.db2.gz OSDGJLYNXZJFLC-ZFWWWQNUSA-N 1 0 407.833 2.828 20 5 HFBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019698 721812277 /nfs/dbraw/zinc/81/22/77/721812277.db2.gz BLLLPPVPQIZLAF-SZMVWBNQSA-N 1 0 412.494 2.834 20 5 HFBDRO COc1ncnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-] ZINC001164939373 721925976 /nfs/dbraw/zinc/92/59/76/721925976.db2.gz KOSNUXVTVBIVJV-UHFFFAOYSA-N 1 0 413.478 2.573 20 5 HFBDRO O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164983366 722103767 /nfs/dbraw/zinc/10/37/67/722103767.db2.gz PQOVUBLJVUJMKD-UTKZUKDTSA-N 1 0 420.473 2.660 20 5 HFBDRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3ccccc3cc1[N+](=O)[O-])CCC2 ZINC001165002550 722254699 /nfs/dbraw/zinc/25/46/99/722254699.db2.gz PYHZJELCOLHNQB-UHFFFAOYSA-N 1 0 410.478 2.828 20 5 HFBDRO Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000790633907 1078069930 /nfs/dbraw/zinc/06/99/30/1078069930.db2.gz ISPJEGLUBHQMSF-UHFFFAOYSA-N 1 0 407.492 2.977 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)c(C)c1[N+](=O)[O-] ZINC000790871119 1078167219 /nfs/dbraw/zinc/16/72/19/1078167219.db2.gz NUYGXPKKQXAVRS-UHFFFAOYSA-N 1 0 414.484 2.520 20 5 HFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804852813 1078721463 /nfs/dbraw/zinc/72/14/63/1078721463.db2.gz OEGYXJKZQSTIRZ-DGCLKSJQSA-N 1 0 407.414 2.951 20 5 HFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000805111608 1078896043 /nfs/dbraw/zinc/89/60/43/1078896043.db2.gz ZPLQYMQTCIQKIQ-FZMZJTMJSA-N 1 0 418.313 2.605 20 5 HFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000805113787 1078898504 /nfs/dbraw/zinc/89/85/04/1078898504.db2.gz PIVAYEDYDCDOHY-SMDDNHRTSA-N 1 0 418.313 2.605 20 5 HFBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC001130098248 1078948879 /nfs/dbraw/zinc/94/88/79/1078948879.db2.gz MLTWMBSGVZEIMS-LLVKDONJSA-N 1 0 417.247 2.674 20 5 HFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000787352718 1076792691 /nfs/dbraw/zinc/79/26/91/1076792691.db2.gz OINKODJIPLJRCD-CQSZACIVSA-N 1 0 422.482 2.921 20 5 HFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791764135 1077556685 /nfs/dbraw/zinc/55/66/85/1077556685.db2.gz ARMSMHCJOCIIDL-UHFFFAOYSA-N 1 0 415.494 2.568 20 5 HFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789525601 1077622111 /nfs/dbraw/zinc/62/21/11/1077622111.db2.gz NPKTVOOTYAVINW-HXUWFJFHSA-N 1 0 410.474 2.965 20 5 HFBDRO O=C(CN1CCC(Oc2ccc(F)nc2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000792386230 1077830073 /nfs/dbraw/zinc/83/00/73/1077830073.db2.gz SSGSJTYJYFLHON-UHFFFAOYSA-N 1 0 400.410 2.561 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170313693 1077940820 /nfs/dbraw/zinc/94/08/20/1077940820.db2.gz QADACLAHUVASBS-GOEBONIOSA-N 1 0 409.483 2.760 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](Oc3nccc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355649 1077949251 /nfs/dbraw/zinc/94/92/51/1077949251.db2.gz NYNIVJHKZVPFQC-PBHICJAKSA-N 1 0 402.451 2.876 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)c([N+](=O)[O-])c1 ZINC001170339412 1077952301 /nfs/dbraw/zinc/95/23/01/1077952301.db2.gz BHNJNFBNYLRYKZ-ZAOYMGCJSA-N 1 0 417.506 2.542 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC001170340497 1077952826 /nfs/dbraw/zinc/95/28/26/1077952826.db2.gz MEHGCJSNARRQAS-RGGPELTISA-N 1 0 413.474 2.845 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341529 1077953474 /nfs/dbraw/zinc/95/34/74/1077953474.db2.gz JXCMXPDPRWPBBB-FAAYRAOTSA-N 1 0 402.451 2.558 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H]3O[C@H](C(=O)N4CCCC4)CC[C@H]32)c([N+](=O)[O-])c1 ZINC001170341948 1077953578 /nfs/dbraw/zinc/95/35/78/1077953578.db2.gz KYRGAWHRWCBLJJ-SKBHOOIQSA-N 1 0 417.506 2.779 20 5 HFBDRO COCCN1C(=O)CCC12CC[NH+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC001170344516 1077954201 /nfs/dbraw/zinc/95/42/01/1077954201.db2.gz ZTWMCLOQYRQSRG-INIZCTEOSA-N 1 0 405.495 2.638 20 5 HFBDRO C[C@]1(NC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001130614361 1079642012 /nfs/dbraw/zinc/64/20/12/1079642012.db2.gz VUYOAIVVBMFJDV-QFIPXVFZSA-N 1 0 420.473 2.629 20 5 HFBDRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000807486732 1080670247 /nfs/dbraw/zinc/67/02/47/1080670247.db2.gz KWYWDNPOLAWIAN-HNNXBMFYSA-N 1 0 408.817 2.745 20 5 HFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000518844015 1126095915 /nfs/dbraw/zinc/09/59/15/1126095915.db2.gz JYEFLGBWEYURIV-HNNXBMFYSA-N 1 0 412.227 2.893 20 5 HFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)CC1 ZINC001164618043 719034484 /nfs/dbraw/zinc/03/44/84/719034484.db2.gz RIQQFOKVRXLFEL-UHFFFAOYSA-N 1 0 413.478 2.782 20 5 HFBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2c1C ZINC001164635954 719246706 /nfs/dbraw/zinc/24/67/06/719246706.db2.gz RLEMWGXFZQIJAU-VXGBXAGGSA-N 1 0 415.523 2.990 20 5 HFBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001164690047 719753557 /nfs/dbraw/zinc/75/35/57/719753557.db2.gz RBDAVFSHPKCJEP-UHFFFAOYSA-N 1 0 409.490 2.838 20 5 HFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2 ZINC001164812692 720092433 /nfs/dbraw/zinc/09/24/33/720092433.db2.gz RFQCOLUGYQJOSR-SJKOYZFVSA-N 1 0 416.309 2.876 20 5 HFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2 ZINC001164812689 720092760 /nfs/dbraw/zinc/09/27/60/720092760.db2.gz RFQCOLUGYQJOSR-SJCJKPOMSA-N 1 0 416.309 2.876 20 5 HFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(/C=C\N(C)C)c([N+](=O)[O-])cn1)C2 ZINC001164814997 720162659 /nfs/dbraw/zinc/16/26/59/720162659.db2.gz GLPIDIZWMWLHSK-AVQVHJDXSA-N 1 0 415.538 2.707 20 5 HFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820505 720310960 /nfs/dbraw/zinc/31/09/60/720310960.db2.gz HHXANXWSJIJOCD-IAGOWNOFSA-N 1 0 421.929 2.863 20 5 HFBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001164732234 720509692 /nfs/dbraw/zinc/50/96/92/720509692.db2.gz TZMKUFWJLFBENC-LLVKDONJSA-N 1 0 400.817 2.583 20 5 HFBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@H]2C1 ZINC001164865018 720888831 /nfs/dbraw/zinc/88/88/31/720888831.db2.gz XXXFACHBZBSSLW-AZUAARDMSA-N 1 0 412.490 2.830 20 5 HFBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164862943 720889702 /nfs/dbraw/zinc/88/97/02/720889702.db2.gz SDBDLLNQCMMIMT-BEFAXECRSA-N 1 0 420.897 2.970 20 5 HFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863576 720980563 /nfs/dbraw/zinc/98/05/63/720980563.db2.gz WSKYYNYDAWAFGU-CQSZACIVSA-N 1 0 416.482 2.784 20 5 HFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870590 721073706 /nfs/dbraw/zinc/07/37/06/721073706.db2.gz WISJBHLECJVCFO-HZPDHXFCSA-N 1 0 403.870 2.826 20 5 HFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891915 721402038 /nfs/dbraw/zinc/40/20/38/721402038.db2.gz WNTWBZGXAPWUPM-UZLBHIALSA-N 1 0 423.945 2.717 20 5 HFBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164785175 721450715 /nfs/dbraw/zinc/45/07/15/721450715.db2.gz GYFBWCYNKVIFSW-IBGZPJMESA-N 1 0 404.511 2.724 20 5 HFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164965085 722025092 /nfs/dbraw/zinc/02/50/92/722025092.db2.gz ZSVXJKSMVAITKD-UHFFFAOYSA-N 1 0 411.462 2.664 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979791 722110494 /nfs/dbraw/zinc/11/04/94/722110494.db2.gz QARZBAIMOHEPJE-WBVHZDCISA-N 1 0 403.870 2.766 20 5 HFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000793112307 1078082735 /nfs/dbraw/zinc/08/27/35/1078082735.db2.gz ZKFLSNHJQJJNMZ-INIZCTEOSA-N 1 0 420.853 2.614 20 5 HFBDRO C[C@H]1C[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[N@@H+]1C ZINC000790771012 1078129149 /nfs/dbraw/zinc/12/91/49/1078129149.db2.gz UBWWQXWDLWCUHP-NWDGAFQWSA-N 1 0 411.300 2.908 20 5 HFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000793513197 1078195576 /nfs/dbraw/zinc/19/55/76/1078195576.db2.gz AJIHPZJXYVBWMN-GOSISDBHSA-N 1 0 416.434 2.863 20 5 HFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000747206988 1078503429 /nfs/dbraw/zinc/50/34/29/1078503429.db2.gz BNBSCKIOXLTEMU-UHFFFAOYSA-N 1 0 408.474 2.561 20 5 HFBDRO CS[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H]1[NH+](C)C ZINC000772845437 1078535033 /nfs/dbraw/zinc/53/50/33/1078535033.db2.gz JQCNASPTDGBVCB-NEPJUHHUSA-N 1 0 406.277 2.614 20 5 HFBDRO O=[N+]([O-])c1ccc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c([N+](=O)[O-])c1 ZINC000804807490 1078636956 /nfs/dbraw/zinc/63/69/56/1078636956.db2.gz GXWWVAREIOKUMN-LJQANCHMSA-N 1 0 411.462 2.900 20 5 HFBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC001130098249 1078948824 /nfs/dbraw/zinc/94/88/24/1078948824.db2.gz MLTWMBSGVZEIMS-NSHDSACASA-N 1 0 417.247 2.674 20 5 HFBDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000805751010 1079230747 /nfs/dbraw/zinc/23/07/47/1079230747.db2.gz XLPXHVYAJVVWIP-UWJYYQICSA-N 1 0 409.490 2.722 20 5 HFBDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000788502253 1077183675 /nfs/dbraw/zinc/18/36/75/1077183675.db2.gz IOLKWNRZPVQCGM-BTYIYWSLSA-N 1 0 400.479 2.910 20 5 HFBDRO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[NH+](C)C)c1 ZINC000791196122 1077320837 /nfs/dbraw/zinc/32/08/37/1077320837.db2.gz BZDJKZPCAHHMOU-IBGZPJMESA-N 1 0 404.442 2.841 20 5 HFBDRO COC(=O)COc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000788969105 1077366141 /nfs/dbraw/zinc/36/61/41/1077366141.db2.gz LHTKEMIQAGUAOE-UHFFFAOYSA-N 1 0 414.462 2.511 20 5 HFBDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cc2)C[C@@H](C)O1 ZINC000791326483 1077374947 /nfs/dbraw/zinc/37/49/47/1077374947.db2.gz ZAJWGXVPJOSYFG-ZIAGYGMSSA-N 1 0 416.453 2.855 20 5 HFBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000791337382 1077378450 /nfs/dbraw/zinc/37/84/50/1077378450.db2.gz YGXATFXSNBPMFR-UHFFFAOYSA-N 1 0 405.426 2.712 20 5 HFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@H](C)C1 ZINC000791366521 1077394661 /nfs/dbraw/zinc/39/46/61/1077394661.db2.gz JSRABTRULDSERV-PBHICJAKSA-N 1 0 410.490 2.667 20 5 HFBDRO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000789360928 1077537393 /nfs/dbraw/zinc/53/73/93/1077537393.db2.gz BBSHPKFVMKOQMQ-CRAIPNDOSA-N 1 0 415.446 2.984 20 5 HFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000791995162 1077640807 /nfs/dbraw/zinc/64/08/07/1077640807.db2.gz PKTBFBBWCBZXLH-UHFFFAOYSA-N 1 0 414.300 2.930 20 5 HFBDRO Cc1nc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])c([N+](=O)[O-])c(C)c1Br ZINC001170281041 1077936512 /nfs/dbraw/zinc/93/65/12/1077936512.db2.gz BJSDPQQWFWAGGI-HFAKWTLXSA-N 1 0 403.277 2.506 20 5 HFBDRO COc1ccc(C[C@H](C)[N@H+]2CCc3nnc(Cn4cccc4)n3CC2)c([N+](=O)[O-])c1 ZINC001170338888 1077952334 /nfs/dbraw/zinc/95/23/34/1077952334.db2.gz FBNVAPXCHBLMGI-INIZCTEOSA-N 1 0 410.478 2.534 20 5 HFBDRO CCO[C@H]1CC[N@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@H]1Cc1cnn(C)c1 ZINC001170339168 1077952363 /nfs/dbraw/zinc/95/23/63/1077952363.db2.gz HVZOAWOHQKYKEH-NQERJWCQSA-N 1 0 402.495 2.990 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170341535 1077953339 /nfs/dbraw/zinc/95/33/39/1077953339.db2.gz KAUUIDGKAVVYBE-LERMDLETSA-N 1 0 424.501 2.958 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341839 1077953662 /nfs/dbraw/zinc/95/36/62/1077953662.db2.gz SNDKGMUSZJDFOT-TVTNDZMWSA-N 1 0 415.490 2.960 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](OCC(=O)NC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351378 1077956079 /nfs/dbraw/zinc/95/60/79/1077956079.db2.gz FPUFKAUCOCSYML-MAUKXSAKSA-N 1 0 407.511 2.930 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170351619 1077956264 /nfs/dbraw/zinc/95/62/64/1077956264.db2.gz GLPUJWRJOXZLRP-YSGRDPCXSA-N 1 0 423.469 2.651 20 5 HFBDRO CC[N@H+](CCCNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC001130585399 1079558762 /nfs/dbraw/zinc/55/87/62/1079558762.db2.gz HCGFGXGJFHHSAA-UHFFFAOYSA-N 1 0 404.467 2.664 20 5 HFBDRO Cc1ccc(-c2nc3sccc3c(N3CCN4CC[NH2+]C[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164408043 718840015 /nfs/dbraw/zinc/84/00/15/718840015.db2.gz XVGKCFKEQRHXGV-OAHLLOKOSA-N 1 0 410.503 2.669 20 5 HFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164632435 719111915 /nfs/dbraw/zinc/11/19/15/719111915.db2.gz ZJYHOAZDQAOCIU-ZWKOTPCHSA-N 1 0 410.478 2.752 20 5 HFBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2c1C ZINC001164635950 719246884 /nfs/dbraw/zinc/24/68/84/719246884.db2.gz RLEMWGXFZQIJAU-RYUDHWBXSA-N 1 0 415.523 2.990 20 5 HFBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3ccc([N+](=O)[O-])cc3n1)CCC2 ZINC001164814090 720218951 /nfs/dbraw/zinc/21/89/51/720218951.db2.gz STYVYAMHMCYJDO-UHFFFAOYSA-N 1 0 422.489 2.950 20 5 HFBDRO Cc1c(C)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001164829029 720322949 /nfs/dbraw/zinc/32/29/49/720322949.db2.gz LJPKEHQFWCGUCZ-ZWKOTPCHSA-N 1 0 401.511 2.518 20 5 HFBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001164729874 720511321 /nfs/dbraw/zinc/51/13/21/720511321.db2.gz KEESGHIMLXEGPA-NSHDSACASA-N 1 0 400.817 2.583 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744124 720811439 /nfs/dbraw/zinc/81/14/39/720811439.db2.gz HKUOQRYBMRAOOD-HYVNUMGLSA-N 1 0 417.901 2.614 20 5 HFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737964 720816933 /nfs/dbraw/zinc/81/69/33/720816933.db2.gz CSBYLUHSKSXBIA-OWCLPIDISA-N 1 0 417.901 2.614 20 5 HFBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001165012807 721747161 /nfs/dbraw/zinc/74/71/61/721747161.db2.gz NVZMIIWSEQCHOA-UHFFFAOYSA-N 1 0 424.505 2.575 20 5 HFBDRO CCc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164935522 721883160 /nfs/dbraw/zinc/88/31/60/721883160.db2.gz XIFLCKJBSWRYNK-UXHICEINSA-N 1 0 410.522 2.829 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982046 722100653 /nfs/dbraw/zinc/10/06/53/722100653.db2.gz MMJFDQLEIIJXKB-RDJZCZTQSA-N 1 0 403.870 2.766 20 5 HFBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984751 722101107 /nfs/dbraw/zinc/10/11/07/722101107.db2.gz UTKYKHLNOPGHTC-NVXWUHKLSA-N 1 0 403.870 2.766 20 5 HFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164973180 722112173 /nfs/dbraw/zinc/11/21/73/722112173.db2.gz GTEBHMPFDURTHC-UTKZUKDTSA-N 1 0 420.473 2.660 20 5 HFBDRO COc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(OC)c1[N+](=O)[O-] ZINC001164994830 722199879 /nfs/dbraw/zinc/19/98/79/722199879.db2.gz QAKBZHAALYCXFJ-FQEVSTJZSA-N 1 0 417.441 2.786 20 5 HFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000793002033 1078045402 /nfs/dbraw/zinc/04/54/02/1078045402.db2.gz CPYMVCKRXRWFPA-YOEHRIQHSA-N 1 0 402.495 2.774 20 5 HFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790666965 1078083971 /nfs/dbraw/zinc/08/39/71/1078083971.db2.gz VVWRCYIMOZTYFF-OAHLLOKOSA-N 1 0 412.893 2.558 20 5 HFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790731297 1078118140 /nfs/dbraw/zinc/11/81/40/1078118140.db2.gz JARKQURWJXXPPZ-CYBMUJFWSA-N 1 0 423.311 2.909 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790825741 1078158108 /nfs/dbraw/zinc/15/81/08/1078158108.db2.gz AHNYDAWGAXVAJA-VXGBXAGGSA-N 1 0 414.484 2.519 20 5 HFBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000793599489 1078220684 /nfs/dbraw/zinc/22/06/84/1078220684.db2.gz RNVYCPMYAVLWEF-NRFANRHFSA-N 1 0 407.430 2.628 20 5 HFBDRO O=[N+]([O-])c1c(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc2ccccn21 ZINC000804808463 1078637510 /nfs/dbraw/zinc/63/75/10/1078637510.db2.gz USOMJWVRCHSEMR-LJQANCHMSA-N 1 0 406.490 2.639 20 5 HFBDRO O=[N+]([O-])c1ccc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c2nonc21 ZINC000804809135 1078638569 /nfs/dbraw/zinc/63/85/69/1078638569.db2.gz PDCRLCAZJIBQTI-QGZVFWFLSA-N 1 0 408.462 2.528 20 5 HFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000804867878 1078692249 /nfs/dbraw/zinc/69/22/49/1078692249.db2.gz NKVGSQPXHITLFM-UHFFFAOYSA-N 1 0 411.256 2.939 20 5 HFBDRO Cc1c(F)cnc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)c1[N+](=O)[O-] ZINC001170486029 1079206235 /nfs/dbraw/zinc/20/62/35/1079206235.db2.gz AEHWYPNZEWVGPY-WLYUNCDWSA-N 1 0 401.442 2.809 20 5 HFBDRO C[C@@H]([NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788564208 1077202058 /nfs/dbraw/zinc/20/20/58/1077202058.db2.gz SRUZWMUUCSUICD-OAHLLOKOSA-N 1 0 407.515 2.770 20 5 HFBDRO CCOC(=O)[C@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCN1C(=O)OC(C)(C)C ZINC000788778639 1077299128 /nfs/dbraw/zinc/29/91/28/1077299128.db2.gz TXAQXZIXIRBSRG-NVXWUHKLSA-N 1 0 407.467 2.934 20 5 HFBDRO CNc1cc([N+](=O)[O-])cnc1N(CC[NH3+])c1nc2ccc(C)cc2n2c(C)cnc12 ZINC001170148818 1077303240 /nfs/dbraw/zinc/30/32/40/1077303240.db2.gz FBWGEYBMWNCEGK-UHFFFAOYSA-N 1 0 406.450 2.941 20 5 HFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788821785 1077309232 /nfs/dbraw/zinc/30/92/32/1077309232.db2.gz ZQOFXKGUGPPLDF-SNVBAGLBSA-N 1 0 416.862 2.599 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000788966605 1077365539 /nfs/dbraw/zinc/36/55/39/1077365539.db2.gz QKNSRTWABFQAJI-IBGZPJMESA-N 1 0 408.838 2.797 20 5 HFBDRO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000789362014 1077537926 /nfs/dbraw/zinc/53/79/26/1077537926.db2.gz FRMHDKHPPIRAEV-KXBFYZLASA-N 1 0 415.446 2.984 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCOC23CN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])c1 ZINC001170298261 1077931058 /nfs/dbraw/zinc/93/10/58/1077931058.db2.gz HYVCQTVNVXICBE-KBXCAEBGSA-N 1 0 421.494 2.902 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@@H]32)c([N+](=O)[O-])c1 ZINC001170297433 1077931085 /nfs/dbraw/zinc/93/10/85/1077931085.db2.gz OGGWFUQSMGWWLX-WCMCAJIFSA-N 1 0 421.494 2.901 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170319627 1077941928 /nfs/dbraw/zinc/94/19/28/1077941928.db2.gz XJHLVXFDMOZXSX-YXJHDRRASA-N 1 0 423.510 2.742 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001170329248 1077944528 /nfs/dbraw/zinc/94/45/28/1077944528.db2.gz YHFXWRPAFOZJLD-SNRMKQJTSA-N 1 0 419.522 2.978 20 5 HFBDRO COc1ccc(C[C@H](C)N(c2nccc(OC)n2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001170354796 1077948730 /nfs/dbraw/zinc/94/87/30/1077948730.db2.gz PEJWOSZWVXQSFA-AWEZNQCLSA-N 1 0 401.467 2.592 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCC23CCN(CC(=O)N(C)C)CC3)c([N+](=O)[O-])c1 ZINC001170341300 1077953085 /nfs/dbraw/zinc/95/30/85/1077953085.db2.gz IMKZVYSCTRRXPM-KRWDZBQOSA-N 1 0 418.538 2.553 20 5 HFBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CC2)c2ncc(C)n2CCN3C)c([N+](=O)[O-])c1 ZINC001170343140 1077953953 /nfs/dbraw/zinc/95/39/53/1077953953.db2.gz NXQWPBQNJILZRO-INIZCTEOSA-N 1 0 413.522 2.976 20 5 HFBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000807487456 1080671360 /nfs/dbraw/zinc/67/13/60/1080671360.db2.gz XGCRANTUZZJPKR-HNNXBMFYSA-N 1 0 406.389 2.539 20 5 HFBDRO C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000807543393 1080758107 /nfs/dbraw/zinc/75/81/07/1080758107.db2.gz GICDAXCOVKPGJX-SUMWQHHRSA-N 1 0 416.865 2.966 20 5 HFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 ZINC000807563280 1080818687 /nfs/dbraw/zinc/81/86/87/1080818687.db2.gz BMDXHZLQOOQXRD-INIZCTEOSA-N 1 0 402.407 2.853 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001164820071 720292337 /nfs/dbraw/zinc/29/23/37/720292337.db2.gz GRBSXGPGLBSXAS-HZPDHXFCSA-N 1 0 407.902 2.555 20 5 HFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900449 721519910 /nfs/dbraw/zinc/51/99/10/721519910.db2.gz RCDDLNUWJORHDY-DZGCQCFKSA-N 1 0 407.833 2.828 20 5 HFBDRO COc1ncnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164904370 721703688 /nfs/dbraw/zinc/70/36/88/721703688.db2.gz CKOCJKHBWRZVGO-GOSISDBHSA-N 1 0 420.420 2.526 20 5 HFBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001164931430 721885589 /nfs/dbraw/zinc/88/55/89/721885589.db2.gz FEUMRUAFMZCRJI-ROUUACIJSA-N 1 0 416.913 2.920 20 5 HFBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001164931428 721885787 /nfs/dbraw/zinc/88/57/87/721885787.db2.gz FEUMRUAFMZCRJI-MSOLQXFVSA-N 1 0 416.913 2.920 20 5 HFBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4c(C)c([N+](=O)[O-])cc[n+]4[O-])CC3)C2)cc1 ZINC001164938612 721927831 /nfs/dbraw/zinc/92/78/31/721927831.db2.gz ARPOIZPWIUFNNW-UHFFFAOYSA-N 1 0 412.490 2.716 20 5 HFBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984752 722101004 /nfs/dbraw/zinc/10/10/04/722101004.db2.gz UTKYKHLNOPGHTC-RDJZCZTQSA-N 1 0 403.870 2.766 20 5 HFBDRO CCOc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164979739 722132722 /nfs/dbraw/zinc/13/27/22/722132722.db2.gz LXFVJTKBRSUZIF-PKOBYXMFSA-N 1 0 413.478 2.511 20 5 HFBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790769661 1078128721 /nfs/dbraw/zinc/12/87/21/1078128721.db2.gz HQYSXXZFDREYCL-LLVKDONJSA-N 1 0 409.284 2.662 20 5 HFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000790851075 1078149118 /nfs/dbraw/zinc/14/91/18/1078149118.db2.gz BNVCBEVRARVNHK-SMDDNHRTSA-N 1 0 414.484 2.613 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000790852192 1078149733 /nfs/dbraw/zinc/14/97/33/1078149733.db2.gz RETYOLZSFGYHTQ-HNNXBMFYSA-N 1 0 416.500 2.765 20 5 HFBDRO COc1c[nH+]ccc1N1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000794342903 1078420493 /nfs/dbraw/zinc/42/04/93/1078420493.db2.gz IYWQXSKCMJMLEV-UHFFFAOYSA-N 1 0 408.817 2.682 20 5 HFBDRO C[NH+]1C(C)(C)CC(Nc2nc(S(C)(=O)=O)nc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC001170454538 1078539789 /nfs/dbraw/zinc/53/97/89/1078539789.db2.gz WOQCOQUZBNSGDZ-UHFFFAOYSA-N 1 0 405.908 2.505 20 5 HFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000804567537 1078601765 /nfs/dbraw/zinc/60/17/65/1078601765.db2.gz PGLRFZYZVDBZNM-UHFFFAOYSA-N 1 0 404.511 2.770 20 5 HFBDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC001129968338 1078661611 /nfs/dbraw/zinc/66/16/11/1078661611.db2.gz XHFCSMSUXGKKLQ-WIYYLYMNSA-N 1 0 413.474 2.627 20 5 HFBDRO COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)n1 ZINC000804612918 1078662051 /nfs/dbraw/zinc/66/20/51/1078662051.db2.gz ZWZFTEMPOKQAEJ-UHFFFAOYSA-N 1 0 400.435 2.649 20 5 HFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000805111532 1078896461 /nfs/dbraw/zinc/89/64/61/1078896461.db2.gz XWWYERBBWKRYFF-DGCLKSJQSA-N 1 0 418.313 2.605 20 5 HFBDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000805762158 1079264129 /nfs/dbraw/zinc/26/41/29/1079264129.db2.gz NZNCSQRPDNKSQF-INIZCTEOSA-N 1 0 420.466 2.836 20 5 HFBDRO CCOC(=O)[C@H]1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000788588974 1077214361 /nfs/dbraw/zinc/21/43/61/1077214361.db2.gz PBNMPWQNSRKRIW-IAGOWNOFSA-N 1 0 407.467 2.668 20 5 HFBDRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788755347 1077277588 /nfs/dbraw/zinc/27/75/88/1077277588.db2.gz RTXSDPULJAYPKR-LBPRGKRZSA-N 1 0 408.455 2.707 20 5 HFBDRO COc1ncc([N+](=O)[O-])cc1N(CC[NH3+])c1nc2ccc(C)cc2n2c(C)cnc12 ZINC001170148290 1077292834 /nfs/dbraw/zinc/29/28/34/1077292834.db2.gz CQFRDJRRPPYRQR-UHFFFAOYSA-N 1 0 407.434 2.908 20 5 HFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000791130710 1077296819 /nfs/dbraw/zinc/29/68/19/1077296819.db2.gz ABAGJWUOTQBOLP-HXUWFJFHSA-N 1 0 421.856 2.683 20 5 HFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000791134326 1077316052 /nfs/dbraw/zinc/31/60/52/1077316052.db2.gz WLFLCWHCCZPEHQ-BETUJISGSA-N 1 0 401.866 2.935 20 5 HFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788912674 1077350571 /nfs/dbraw/zinc/35/05/71/1077350571.db2.gz KUHYAKMPVJGGDN-NEPJUHHUSA-N 1 0 420.329 2.756 20 5 HFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000788913967 1077352114 /nfs/dbraw/zinc/35/21/14/1077352114.db2.gz SCDXEQHPZQYFHN-VXGBXAGGSA-N 1 0 420.329 2.756 20 5 HFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000788913966 1077352189 /nfs/dbraw/zinc/35/21/89/1077352189.db2.gz SCDXEQHPZQYFHN-RYUDHWBXSA-N 1 0 420.329 2.756 20 5 HFBDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cc2)C[C@H](C)O1 ZINC000791326479 1077374924 /nfs/dbraw/zinc/37/49/24/1077374924.db2.gz ZAJWGXVPJOSYFG-KBPBESRZSA-N 1 0 416.453 2.855 20 5 HFBDRO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000789360931 1077537412 /nfs/dbraw/zinc/53/74/12/1077537412.db2.gz BBSHPKFVMKOQMQ-MAUKXSAKSA-N 1 0 415.446 2.984 20 5 HFBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789521117 1077615494 /nfs/dbraw/zinc/61/54/94/1077615494.db2.gz KHNLLIGIJGLEPI-GOSISDBHSA-N 1 0 424.457 2.626 20 5 HFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC000792182460 1077737328 /nfs/dbraw/zinc/73/73/28/1077737328.db2.gz HXUXDMPISSAUQR-UHFFFAOYSA-N 1 0 420.329 2.992 20 5 HFBDRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000792334495 1077823682 /nfs/dbraw/zinc/82/36/82/1077823682.db2.gz YGDFWTWGIABIOR-UHFFFAOYSA-N 1 0 420.510 2.870 20 5 HFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CCO)Cc2ccc(Br)s2)c1 ZINC000792485101 1077877907 /nfs/dbraw/zinc/87/79/07/1077877907.db2.gz SPIKUNZEAFEKBD-CQSZACIVSA-N 1 0 401.282 2.947 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccnc(OC3CCOCC3)n2)c([N+](=O)[O-])c1 ZINC001170321402 1077943014 /nfs/dbraw/zinc/94/30/14/1077943014.db2.gz BITNKDBPQZNWQQ-CQSZACIVSA-N 1 0 402.451 2.672 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c([N+](=O)[O-])c1 ZINC001170327717 1077944311 /nfs/dbraw/zinc/94/43/11/1077944311.db2.gz HDCUGUBVHNFRNN-QGZVFWFLSA-N 1 0 424.501 2.963 20 5 HFBDRO CCS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)cc1 ZINC001170331641 1077945271 /nfs/dbraw/zinc/94/52/71/1077945271.db2.gz DLFRNCLTNWFTAC-UHFFFAOYSA-N 1 0 407.492 2.941 20 5 HFBDRO COc1ccc(C[C@H](C)N(c2nc(C)cc(OC)n2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001170354024 1077948774 /nfs/dbraw/zinc/94/87/74/1077948774.db2.gz GXPKTFFJROGJPB-HNNXBMFYSA-N 1 0 415.494 2.900 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001170344285 1077954151 /nfs/dbraw/zinc/95/41/51/1077954151.db2.gz YCKUPSNTHDNBFY-CDMIOBSGSA-N 1 0 413.474 2.957 20 5 HFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000747334857 1079787393 /nfs/dbraw/zinc/78/73/93/1079787393.db2.gz VZFPBIRTDFWHBT-UHFFFAOYSA-N 1 0 416.522 2.768 20 5 HFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000747372658 1080286302 /nfs/dbraw/zinc/28/63/02/1080286302.db2.gz BWRLFVJWUIPSIE-KDQZPGIASA-N 1 0 411.886 2.726 20 5 HFBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F)c1ccco1 ZINC000807311005 1080504466 /nfs/dbraw/zinc/50/44/66/1080504466.db2.gz XFELXELWBHGPFP-BXUZGUMPSA-N 1 0 406.414 2.819 20 5 HFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)CC2)CC1 ZINC001164617892 719029517 /nfs/dbraw/zinc/02/95/17/719029517.db2.gz QVWZYPMCXYIETL-UHFFFAOYSA-N 1 0 401.467 2.715 20 5 HFBDRO COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164841661 720519577 /nfs/dbraw/zinc/51/95/77/720519577.db2.gz ZJHPOAMJYWMZFM-BRWVUGGUSA-N 1 0 400.483 2.573 20 5 HFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164733326 720552194 /nfs/dbraw/zinc/55/21/94/720552194.db2.gz LJBVIHAJFYJNIQ-UHFFFAOYSA-N 1 0 423.930 2.615 20 5 HFBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164857100 720850386 /nfs/dbraw/zinc/85/03/86/720850386.db2.gz XJAPDMUYNVJZCE-WMLDXEAASA-N 1 0 420.897 2.970 20 5 HFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc([N+](=O)[O-])cc5)nn4)C[C@H]3C2)cn1 ZINC001164771445 721193307 /nfs/dbraw/zinc/19/33/07/721193307.db2.gz PXAINCJWQJUVTF-RTBURBONSA-N 1 0 419.489 2.744 20 5 HFBDRO COc1cc(C)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164903353 721530538 /nfs/dbraw/zinc/53/05/38/721530538.db2.gz CDJWCKMTSKFNEE-DOTOQJQBSA-N 1 0 402.426 2.788 20 5 HFBDRO COc1cc2ncnc(N3CC[NH+](CCOc4ccccc4)CC3)c2cc1[N+](=O)[O-] ZINC001165044169 721956822 /nfs/dbraw/zinc/95/68/22/721956822.db2.gz HFQCPKRRUCHLRD-UHFFFAOYSA-N 1 0 409.446 2.748 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979788 722110467 /nfs/dbraw/zinc/11/04/67/722110467.db2.gz QARZBAIMOHEPJE-DOTOQJQBSA-N 1 0 403.870 2.766 20 5 HFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790759628 1078112601 /nfs/dbraw/zinc/11/26/01/1078112601.db2.gz HNOFFNLCFWOIJV-LBPRGKRZSA-N 1 0 423.311 2.909 20 5 HFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790777158 1078131150 /nfs/dbraw/zinc/13/11/50/1078131150.db2.gz HCRKPHDLXJPFOV-ZBEGNZNMSA-N 1 0 423.311 2.908 20 5 HFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000790851060 1078149522 /nfs/dbraw/zinc/14/95/22/1078149522.db2.gz BNVCBEVRARVNHK-BXUZGUMPSA-N 1 0 414.484 2.613 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000790850840 1078149537 /nfs/dbraw/zinc/14/95/37/1078149537.db2.gz IGZJLYFUVPETLC-AWEZNQCLSA-N 1 0 414.484 2.615 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000790824060 1078157246 /nfs/dbraw/zinc/15/72/46/1078157246.db2.gz IWIMPIYTGCMFMQ-GFCCVEGCSA-N 1 0 414.484 2.663 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000790834615 1078160676 /nfs/dbraw/zinc/16/06/76/1078160676.db2.gz FCLMQNRPRHIBQZ-LBPRGKRZSA-N 1 0 414.484 2.520 20 5 HFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446210 1078511060 /nfs/dbraw/zinc/51/10/60/1078511060.db2.gz AUCOVYPIRJVXDI-IBGZPJMESA-N 1 0 412.465 2.766 20 5 HFBDRO Cc1cc(C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000804446565 1078513247 /nfs/dbraw/zinc/51/32/47/1078513247.db2.gz KLJSBYMCBOMWGV-IBGZPJMESA-N 1 0 423.517 2.518 20 5 HFBDRO CN(c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000804529741 1078567904 /nfs/dbraw/zinc/56/79/04/1078567904.db2.gz JBKRKWRZHMPJDL-KRWDZBQOSA-N 1 0 409.490 2.886 20 5 HFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000805113785 1078898513 /nfs/dbraw/zinc/89/85/13/1078898513.db2.gz PIVAYEDYDCDOHY-FZMZJTMJSA-N 1 0 418.313 2.605 20 5 HFBDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000787592099 1076862508 /nfs/dbraw/zinc/86/25/08/1076862508.db2.gz BYTWIYDWHLIVCT-VMPITWQZSA-N 1 0 413.478 2.609 20 5 HFBDRO CCOC(=O)[C@@H]1[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000788796250 1077290249 /nfs/dbraw/zinc/29/02/49/1077290249.db2.gz DSIDJELPLOXPNH-WBVHZDCISA-N 1 0 407.467 2.668 20 5 HFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788912675 1077350638 /nfs/dbraw/zinc/35/06/38/1077350638.db2.gz KUHYAKMPVJGGDN-NWDGAFQWSA-N 1 0 420.329 2.756 20 5 HFBDRO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[NH+]2CCCC2)c1 ZINC000791298887 1077361116 /nfs/dbraw/zinc/36/11/16/1077361116.db2.gz HOWVNLXJPSHRLX-IBGZPJMESA-N 1 0 402.426 2.892 20 5 HFBDRO C[NH+](C)CCCNC(=S)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000789339378 1077527657 /nfs/dbraw/zinc/52/76/57/1077527657.db2.gz LXNDBBHFWHKEGC-UHFFFAOYSA-N 1 0 401.330 2.542 20 5 HFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789525598 1077622084 /nfs/dbraw/zinc/62/20/84/1077622084.db2.gz NPKTVOOTYAVINW-FQEVSTJZSA-N 1 0 410.474 2.965 20 5 HFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000746849302 1077759633 /nfs/dbraw/zinc/75/96/33/1077759633.db2.gz VDJCXNSIAVQVBP-ZHALLVOQSA-N 1 0 416.522 2.909 20 5 HFBDRO CC(C)[NH+]1CCN(CCCOC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000792271883 1077787731 /nfs/dbraw/zinc/78/77/31/1077787731.db2.gz SRPHQGCUJFXOLF-UHFFFAOYSA-N 1 0 401.866 2.889 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c([N+](=O)[O-])c1 ZINC001170324586 1077943899 /nfs/dbraw/zinc/94/38/99/1077943899.db2.gz RCSKEDQYCJDJBF-HNNXBMFYSA-N 1 0 419.503 2.864 20 5 HFBDRO COc1ccc(C[C@@H](C)N(c2nccc(OC)n2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001170354797 1077948786 /nfs/dbraw/zinc/94/87/86/1077948786.db2.gz PEJWOSZWVXQSFA-CQSZACIVSA-N 1 0 401.467 2.592 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c([N+](=O)[O-])c1 ZINC001170355471 1077949026 /nfs/dbraw/zinc/94/90/26/1077949026.db2.gz GHNDULUJFFDWAC-KBXCAEBGSA-N 1 0 421.494 2.760 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](OCC3CCOCC3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC001170341386 1077953365 /nfs/dbraw/zinc/95/33/65/1077953365.db2.gz QAKVQXLRBNLYIF-GZIQRIHMSA-N 1 0 420.506 2.677 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170341533 1077953441 /nfs/dbraw/zinc/95/34/41/1077953441.db2.gz KAUUIDGKAVVYBE-GRWTVWFQSA-N 1 0 424.501 2.958 20 5 HFBDRO COc1ccc(C[C@H](C)[N@H+]2C[C@@H](NC(=O)C3CC3)[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170342365 1077953642 /nfs/dbraw/zinc/95/36/42/1077953642.db2.gz VMFODLXTVUYIDX-RDDTUUHWSA-N 1 0 417.506 2.540 20 5 HFBDRO CCN1CC2(CC[NH+]([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)[C@H](COC)C1=O ZINC001170343974 1077954213 /nfs/dbraw/zinc/95/42/13/1077954213.db2.gz VZCNCFFSXVJSCA-VQIMIIECSA-N 1 0 419.522 2.741 20 5 HFBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000792967111 1078038136 /nfs/dbraw/zinc/03/81/36/1078038136.db2.gz QOWLOFPLPMFKRA-MRXNPFEDSA-N 1 0 402.495 2.918 20 5 HFBDRO COc1cc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000806319154 1079571018 /nfs/dbraw/zinc/57/10/18/1079571018.db2.gz DTWWSQIHIVEFPY-GFCCVEGCSA-N 1 0 418.393 2.718 20 5 HFBDRO COc1cc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001130733198 1079971494 /nfs/dbraw/zinc/97/14/94/1079971494.db2.gz MAVIGIHOXUYEEO-PMACEKPBSA-N 1 0 411.458 2.719 20 5 HFBDRO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001130733568 1079973055 /nfs/dbraw/zinc/97/30/55/1079973055.db2.gz SZDYIMMCJMIVJI-VQTJNVASSA-N 1 0 417.412 2.989 20 5 HFBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC2 ZINC001164681775 719714069 /nfs/dbraw/zinc/71/40/69/719714069.db2.gz AKMVQUXSENZBTP-UHFFFAOYSA-N 1 0 417.897 2.977 20 5 HFBDRO Cc1c(C)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001164829024 720322838 /nfs/dbraw/zinc/32/28/38/720322838.db2.gz LJPKEHQFWCGUCZ-QZTJIDSGSA-N 1 0 401.511 2.518 20 5 HFBDRO Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164836613 720508473 /nfs/dbraw/zinc/50/84/73/720508473.db2.gz NHAHCBBXVANOCI-HRCADAONSA-N 1 0 419.917 2.921 20 5 HFBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001164730804 720510935 /nfs/dbraw/zinc/51/09/35/720510935.db2.gz NNBCSJNTIMOCQF-GFCCVEGCSA-N 1 0 401.858 2.586 20 5 HFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164839094 720518464 /nfs/dbraw/zinc/51/84/64/720518464.db2.gz SRDIZPVLGVSCBQ-HRCADAONSA-N 1 0 419.917 2.921 20 5 HFBDRO CCOc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164840658 720577694 /nfs/dbraw/zinc/57/76/94/720577694.db2.gz QEYLLVYLWABHPA-OKZBNKHCSA-N 1 0 414.510 2.963 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164748707 720810403 /nfs/dbraw/zinc/81/04/03/720810403.db2.gz RBPAACHPIDCUEE-DJIMGWMZSA-N 1 0 417.901 2.614 20 5 HFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164744238 720811098 /nfs/dbraw/zinc/81/10/98/720811098.db2.gz IEWCUMMPRDPBRK-QGPMSJSTSA-N 1 0 417.901 2.614 20 5 HFBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164862947 720889499 /nfs/dbraw/zinc/88/94/99/720889499.db2.gz SDBDLLNQCMMIMT-HNAYVOBHSA-N 1 0 420.897 2.970 20 5 HFBDRO COc1cc(C)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164903355 721530156 /nfs/dbraw/zinc/53/01/56/721530156.db2.gz CDJWCKMTSKFNEE-RDJZCZTQSA-N 1 0 402.426 2.788 20 5 HFBDRO CCc1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164935524 721883414 /nfs/dbraw/zinc/88/34/14/721883414.db2.gz XIFLCKJBSWRYNK-WOJBJXKFSA-N 1 0 410.522 2.829 20 5 HFBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984750 722101308 /nfs/dbraw/zinc/10/13/08/722101308.db2.gz UTKYKHLNOPGHTC-DOTOQJQBSA-N 1 0 403.870 2.766 20 5 HFBDRO O=[N+]([O-])c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2[nH]ccc21 ZINC001164981123 722131329 /nfs/dbraw/zinc/13/13/29/722131329.db2.gz OODGGLHDTPMVEL-QFBILLFUSA-N 1 0 408.462 2.593 20 5 HFBDRO O=[N+]([O-])c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc2[nH]ccc21 ZINC001164981121 722131769 /nfs/dbraw/zinc/13/17/69/722131769.db2.gz OODGGLHDTPMVEL-LPHOPBHVSA-N 1 0 408.462 2.593 20 5 HFBDRO Cc1cc([N+](=O)[O-])c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1Cl ZINC001165000470 722252302 /nfs/dbraw/zinc/25/23/02/722252302.db2.gz QAWFFXSFMTWYBS-UHFFFAOYSA-N 1 0 408.890 2.637 20 5 HFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000793045731 1078054969 /nfs/dbraw/zinc/05/49/69/1078054969.db2.gz CBXPZNHWKXKSKK-WMLDXEAASA-N 1 0 402.495 2.774 20 5 HFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790731298 1078117999 /nfs/dbraw/zinc/11/79/99/1078117999.db2.gz JARKQURWJXXPPZ-ZDUSSCGKSA-N 1 0 423.311 2.909 20 5 HFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790777152 1078130783 /nfs/dbraw/zinc/13/07/83/1078130783.db2.gz HCRKPHDLXJPFOV-BDJLRTHQSA-N 1 0 423.311 2.908 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000790826167 1078157769 /nfs/dbraw/zinc/15/77/69/1078157769.db2.gz IMQLXMSOEJAKKW-NEPJUHHUSA-N 1 0 414.484 2.661 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790825740 1078158052 /nfs/dbraw/zinc/15/80/52/1078158052.db2.gz AHNYDAWGAXVAJA-RYUDHWBXSA-N 1 0 414.484 2.519 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000790871141 1078167258 /nfs/dbraw/zinc/16/72/58/1078167258.db2.gz OPILVCXAXMTOLE-LBPRGKRZSA-N 1 0 414.484 2.663 20 5 HFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790882657 1078169670 /nfs/dbraw/zinc/16/96/70/1078169670.db2.gz CRUQAUFJBRUGJU-UHFFFAOYSA-N 1 0 414.484 2.616 20 5 HFBDRO CC(C)[NH+](CCNC(=O)C1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1)C(C)C ZINC000804379642 1078455989 /nfs/dbraw/zinc/45/59/89/1078455989.db2.gz PKVZWIPQYULYNO-UHFFFAOYSA-N 1 0 421.498 2.954 20 5 HFBDRO CS[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H]1[NH+](C)C ZINC000772845439 1078535078 /nfs/dbraw/zinc/53/50/78/1078535078.db2.gz JQCNASPTDGBVCB-NWDGAFQWSA-N 1 0 406.277 2.614 20 5 HFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805799550 1079279934 /nfs/dbraw/zinc/27/99/34/1079279934.db2.gz UQSLFXNPYVPGJU-ZFWWWQNUSA-N 1 0 422.482 2.920 20 5 HFBDRO O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000805828829 1079298197 /nfs/dbraw/zinc/29/81/97/1079298197.db2.gz BWAUNYSPKHZPCQ-SFHVURJKSA-N 1 0 406.483 2.670 20 5 HFBDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc4ncc([N+](=O)[O-])n4c3)cc2)CC1 ZINC001170494264 1079368768 /nfs/dbraw/zinc/36/87/68/1079368768.db2.gz ZLUHWYYAAYAFPY-QQFBHYJXSA-N 1 0 408.462 2.614 20 5 HFBDRO COc1cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)cc([N+](=O)[O-])c1C ZINC001170072562 1076801816 /nfs/dbraw/zinc/80/18/16/1076801816.db2.gz BKRICMNUMVNAKN-UHFFFAOYSA-N 1 0 416.459 2.614 20 5 HFBDRO [NH3+]CCN(c1ccc2ncccc2c1[N+](=O)[O-])S(=O)(=O)c1cccc2cnccc21 ZINC001170075312 1076883152 /nfs/dbraw/zinc/88/31/52/1076883152.db2.gz YIPMXCVALSTDTD-UHFFFAOYSA-N 1 0 423.454 2.845 20 5 HFBDRO C[C@H]([NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788564207 1077202102 /nfs/dbraw/zinc/20/21/02/1077202102.db2.gz SRUZWMUUCSUICD-HNNXBMFYSA-N 1 0 407.515 2.770 20 5 HFBDRO COc1cc([N+](=O)[O-])cnc1N(CC[NH3+])c1nc2ccc(C)cc2n2c(C)cnc12 ZINC001170146400 1077257428 /nfs/dbraw/zinc/25/74/28/1077257428.db2.gz KKEUZAYHOVJEJR-UHFFFAOYSA-N 1 0 407.434 2.908 20 5 HFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788912676 1077350605 /nfs/dbraw/zinc/35/06/05/1077350605.db2.gz KUHYAKMPVJGGDN-RYUDHWBXSA-N 1 0 420.329 2.756 20 5 HFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000788915861 1077353911 /nfs/dbraw/zinc/35/39/11/1077353911.db2.gz LYQJPHZSJIDOJK-UHFFFAOYSA-N 1 0 420.329 2.854 20 5 HFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000791455626 1077413507 /nfs/dbraw/zinc/41/35/07/1077413507.db2.gz PGYGXYLJBMNSFW-UHFFFAOYSA-N 1 0 414.300 2.930 20 5 HFBDRO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000789362010 1077537977 /nfs/dbraw/zinc/53/79/77/1077537977.db2.gz FRMHDKHPPIRAEV-DNVCBOLYSA-N 1 0 415.446 2.984 20 5 HFBDRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000791779927 1077550085 /nfs/dbraw/zinc/55/00/85/1077550085.db2.gz XFKPGICFJGVPKO-HNNXBMFYSA-N 1 0 413.902 2.975 20 5 HFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789521180 1077615033 /nfs/dbraw/zinc/61/50/33/1077615033.db2.gz LBYOJTNERUHALR-HXUWFJFHSA-N 1 0 410.474 2.965 20 5 HFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792226315 1077751447 /nfs/dbraw/zinc/75/14/47/1077751447.db2.gz PQZAPRSWCDPMDE-FQEVSTJZSA-N 1 0 423.517 2.949 20 5 HFBDRO CCOC(=O)c1cc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC001170167327 1077879351 /nfs/dbraw/zinc/87/93/51/1077879351.db2.gz BFVNKUBBAYOQBI-UHFFFAOYSA-N 1 0 413.434 2.640 20 5 HFBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000746874233 1077929925 /nfs/dbraw/zinc/92/99/25/1077929925.db2.gz GWFFAKCWCQHXIF-UHFFFAOYSA-N 1 0 416.522 2.958 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170300296 1077931512 /nfs/dbraw/zinc/93/15/12/1077931512.db2.gz ZAGUNPOGOAGQAH-GDBMZVCRSA-N 1 0 409.483 2.760 20 5 HFBDRO CCOc1cc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001170281074 1077936870 /nfs/dbraw/zinc/93/68/70/1077936870.db2.gz URNRFWQCOHJHOI-UONOGXRCSA-N 1 0 401.385 2.836 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc(OC3CCOCC3)ncn2)c([N+](=O)[O-])c1 ZINC001170322897 1077943309 /nfs/dbraw/zinc/94/33/09/1077943309.db2.gz IGROXDXCZXXJLF-CQSZACIVSA-N 1 0 402.451 2.672 20 5 HFBDRO COc1ccc(C[C@H](C)[NH+]2CCC(n3nnc4ccccc4c3=O)CC2)c([N+](=O)[O-])c1 ZINC001170352791 1077948429 /nfs/dbraw/zinc/94/84/29/1077948429.db2.gz QKVJRZRTRJEQPS-HNNXBMFYSA-N 1 0 423.473 2.976 20 5 HFBDRO COc1ccc(C[C@H](C)[NH+]2CCC(Oc3nccc(OC)n3)CC2)c([N+](=O)[O-])c1 ZINC001170354322 1077948715 /nfs/dbraw/zinc/94/87/15/1077948715.db2.gz ITKVSRXIISYCTQ-AWEZNQCLSA-N 1 0 402.451 2.876 20 5 HFBDRO COc1ccc(C[C@H](C)N(c2ccnc(OC)n2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001170355493 1077948974 /nfs/dbraw/zinc/94/89/74/1077948974.db2.gz HCWBDMVIQSHNFV-AWEZNQCLSA-N 1 0 401.467 2.592 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](Oc3nccc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355651 1077949218 /nfs/dbraw/zinc/94/92/18/1077949218.db2.gz NYNIVJHKZVPFQC-WMLDXEAASA-N 1 0 402.451 2.876 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](Oc3nc(C)cc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355629 1077949230 /nfs/dbraw/zinc/94/92/30/1077949230.db2.gz MXIRVWBXPVRFAK-YOEHRIQHSA-N 1 0 402.451 2.795 20 5 HFBDRO COc1ccc(NC(=O)CC[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170358086 1077949555 /nfs/dbraw/zinc/94/95/55/1077949555.db2.gz LBQFATVTLGRUEU-GOSISDBHSA-N 1 0 414.462 2.741 20 5 HFBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000746875797 1077950187 /nfs/dbraw/zinc/95/01/87/1077950187.db2.gz ZCDXFCOBEWLWGY-UHFFFAOYSA-N 1 0 419.478 2.708 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170338843 1077952105 /nfs/dbraw/zinc/95/21/05/1077952105.db2.gz DMNMYHGGHFNNPH-BPAFIMBUSA-N 1 0 410.474 2.520 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170339828 1077952580 /nfs/dbraw/zinc/95/25/80/1077952580.db2.gz JXCMXPDPRWPBBB-CUJLYAAOSA-N 1 0 402.451 2.558 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170340515 1077952860 /nfs/dbraw/zinc/95/28/60/1077952860.db2.gz MRWPTOATVZRDJZ-AZVUBCEASA-N 1 0 417.506 2.540 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341530 1077953480 /nfs/dbraw/zinc/95/34/80/1077953480.db2.gz KAOZKTBOMHPEFQ-NSISKUIASA-N 1 0 413.522 2.722 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](NC(=O)C3CC3)[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170342364 1077953596 /nfs/dbraw/zinc/95/35/96/1077953596.db2.gz VMFODLXTVUYIDX-GQNJESKTSA-N 1 0 417.506 2.540 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CC2)c2ncc(C)n2CCN3C)c([N+](=O)[O-])c1 ZINC001170343142 1077953814 /nfs/dbraw/zinc/95/38/14/1077953814.db2.gz NXQWPBQNJILZRO-MRXNPFEDSA-N 1 0 413.522 2.976 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccccc2OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000746892615 1077995476 /nfs/dbraw/zinc/99/54/76/1077995476.db2.gz WSOUQZOZVXTVGU-UHFFFAOYSA-N 1 0 402.407 2.682 20 5 HFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc4ccc([N+](=O)[O-])cc4n3)CC2)CC1 ZINC001164613868 719022709 /nfs/dbraw/zinc/02/27/09/719022709.db2.gz IKGOXGXXDBIUMZ-UHFFFAOYSA-N 1 0 413.478 2.782 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001164819646 720311180 /nfs/dbraw/zinc/31/11/80/720311180.db2.gz FKXQDYFLVYRHHB-HZPDHXFCSA-N 1 0 407.902 2.555 20 5 HFBDRO COc1cc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2cc1[N+](=O)[O-] ZINC001164727705 720386183 /nfs/dbraw/zinc/38/61/83/720386183.db2.gz RFDZRIVOISBCSH-MSOLQXFVSA-N 1 0 406.446 2.795 20 5 HFBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001164733199 720510933 /nfs/dbraw/zinc/51/09/33/720510933.db2.gz YHFDXBRCBVAEQK-GFCCVEGCSA-N 1 0 401.858 2.586 20 5 HFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164744241 720811795 /nfs/dbraw/zinc/81/17/95/720811795.db2.gz IEWCUMMPRDPBRK-YXJHDRRASA-N 1 0 417.901 2.614 20 5 HFBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]2C1 ZINC001164853721 720843510 /nfs/dbraw/zinc/84/35/10/720843510.db2.gz OSXVMRDVWYWJJQ-OXJNMPFZSA-N 1 0 400.479 2.625 20 5 HFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870593 721073355 /nfs/dbraw/zinc/07/33/55/721073355.db2.gz WISJBHLECJVCFO-JKSUJKDBSA-N 1 0 403.870 2.826 20 5 HFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164772626 721099672 /nfs/dbraw/zinc/09/96/72/721099672.db2.gz VJDGFNFWZCIUSA-CHWSQXEVSA-N 1 0 411.293 2.988 20 5 HFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164762605 721121105 /nfs/dbraw/zinc/12/11/05/721121105.db2.gz CYIAFXNBXVORQJ-OLZOCXBDSA-N 1 0 411.293 2.988 20 5 HFBDRO CC(C)Oc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164878328 721158779 /nfs/dbraw/zinc/15/87/79/721158779.db2.gz PSRWRTBMNWQGHT-ROUUACIJSA-N 1 0 413.478 2.652 20 5 HFBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1Cl ZINC001164888338 721401482 /nfs/dbraw/zinc/40/14/82/721401482.db2.gz OIWIBKNGHOCMIV-JXFKEZNVSA-N 1 0 423.945 2.717 20 5 HFBDRO CCOc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164979738 722132347 /nfs/dbraw/zinc/13/23/47/722132347.db2.gz LXFVJTKBRSUZIF-MJGOQNOKSA-N 1 0 413.478 2.511 20 5 HFBDRO CCOc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164979737 722132515 /nfs/dbraw/zinc/13/25/15/722132515.db2.gz LXFVJTKBRSUZIF-IEBWSBKVSA-N 1 0 413.478 2.511 20 5 HFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000790560761 1078056371 /nfs/dbraw/zinc/05/63/71/1078056371.db2.gz YHZIYGWJAMRRHZ-SJLPKXTDSA-N 1 0 413.877 2.814 20 5 HFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000790598530 1078064253 /nfs/dbraw/zinc/06/42/53/1078064253.db2.gz ODULREVUYMMFCW-UHFFFAOYSA-N 1 0 413.877 2.891 20 5 HFBDRO C[C@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[N@H+](C)C1CC1 ZINC000790772176 1078129419 /nfs/dbraw/zinc/12/94/19/1078129419.db2.gz XDHQPTYFHNLZSV-LLVKDONJSA-N 1 0 411.300 2.908 20 5 HFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170435601 1078213874 /nfs/dbraw/zinc/21/38/74/1078213874.db2.gz RDAJYTCYUIZRAV-DNVCBOLYSA-N 1 0 413.478 2.552 20 5 HFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1=S ZINC000793770854 1078307090 /nfs/dbraw/zinc/30/70/90/1078307090.db2.gz XFLIFZSTKHJYLD-LJQANCHMSA-N 1 0 402.524 2.994 20 5 HFBDRO O=C(NCCC[NH+]1CCCCC1)C1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804389387 1078448539 /nfs/dbraw/zinc/44/85/39/1078448539.db2.gz RQGYFOWVPOAKLY-UHFFFAOYSA-N 1 0 419.482 2.712 20 5 HFBDRO CN(CC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC001129800421 1078476935 /nfs/dbraw/zinc/47/69/35/1078476935.db2.gz NMOMKRBICBPIPG-UHFFFAOYSA-N 1 0 402.417 2.906 20 5 HFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001170468020 1078646516 /nfs/dbraw/zinc/64/65/16/1078646516.db2.gz NLABWEXBNZTLGU-UHFFFAOYSA-N 1 0 402.495 2.500 20 5 HFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000804870121 1078693482 /nfs/dbraw/zinc/69/34/82/1078693482.db2.gz QEMMJEWFWOXZSY-UHFFFAOYSA-N 1 0 416.478 2.619 20 5 HFBDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787329227 1076742814 /nfs/dbraw/zinc/74/28/14/1076742814.db2.gz WAXNFSCRHNLMTG-INIZCTEOSA-N 1 0 414.428 2.906 20 5 HFBDRO COC(=O)c1cc(NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000788532118 1077204449 /nfs/dbraw/zinc/20/44/49/1077204449.db2.gz JBTCTCIQVLYDLT-TWGQIWQCSA-N 1 0 413.430 2.974 20 5 HFBDRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788645398 1077223141 /nfs/dbraw/zinc/22/31/41/1077223141.db2.gz XFDZBVUVCPPJGE-HNNXBMFYSA-N 1 0 415.469 2.706 20 5 HFBDRO CC(C)(CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000790936290 1077240256 /nfs/dbraw/zinc/24/02/56/1077240256.db2.gz PPTDLQJDZPMZNB-UHFFFAOYSA-N 1 0 420.329 2.758 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)cc1[N+](=O)[O-] ZINC000788963630 1077364443 /nfs/dbraw/zinc/36/44/43/1077364443.db2.gz DETCBOWXQKZJNH-MRXNPFEDSA-N 1 0 408.451 2.702 20 5 HFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000792110400 1077700942 /nfs/dbraw/zinc/70/09/42/1077700942.db2.gz DRKCNMVQXNXNFU-UHFFFAOYSA-N 1 0 401.410 2.769 20 5 HFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])n1 ZINC001170270682 1077924410 /nfs/dbraw/zinc/92/44/10/1077924410.db2.gz NSKLMIGHECOVBW-GPCCPHFNSA-N 1 0 405.908 2.677 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]CCN2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170294741 1077929568 /nfs/dbraw/zinc/92/95/68/1077929568.db2.gz CFBZMBPTCPFKSK-INIZCTEOSA-N 1 0 422.526 2.677 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170300298 1077931731 /nfs/dbraw/zinc/93/17/31/1077931731.db2.gz ZAGUNPOGOAGQAH-HOCLYGCPSA-N 1 0 409.483 2.760 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170313689 1077940853 /nfs/dbraw/zinc/94/08/53/1077940853.db2.gz QADACLAHUVASBS-GDBMZVCRSA-N 1 0 409.483 2.760 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+][C@@]2(CCO)CCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170315302 1077941230 /nfs/dbraw/zinc/94/12/30/1077941230.db2.gz WTTBOZXLXKCHGG-YCRPNKLZSA-N 1 0 423.510 2.886 20 5 HFBDRO COc1ccc(C[C@@H](C)n2cc(Br)ccc2=NCC[NH3+])c([N+](=O)[O-])c1 ZINC001170317318 1077941946 /nfs/dbraw/zinc/94/19/46/1077941946.db2.gz FUZYTUFCFLLQMO-GFCCVEGCSA-N 1 0 409.284 2.831 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccnc(OC3CCOCC3)n2)c([N+](=O)[O-])c1 ZINC001170321401 1077942969 /nfs/dbraw/zinc/94/29/69/1077942969.db2.gz BITNKDBPQZNWQQ-AWEZNQCLSA-N 1 0 402.451 2.672 20 5 HFBDRO CCOC(=O)CC[NH+](CCC(=O)OCC)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170354387 1077948747 /nfs/dbraw/zinc/94/87/47/1077948747.db2.gz KMQKSUJMYBWNOT-OAHLLOKOSA-N 1 0 410.467 2.743 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@H+]2CCc3nnc(Cn4cccc4)n3CC2)c([N+](=O)[O-])c1 ZINC001170338889 1077952295 /nfs/dbraw/zinc/95/22/95/1077952295.db2.gz FBNVAPXCHBLMGI-MRXNPFEDSA-N 1 0 410.478 2.534 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](OCC(=O)NC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351380 1077956131 /nfs/dbraw/zinc/95/61/31/1077956131.db2.gz FPUFKAUCOCSYML-YJBOKZPZSA-N 1 0 407.511 2.930 20 5 HFBDRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000807543388 1080758190 /nfs/dbraw/zinc/75/81/90/1080758190.db2.gz GICDAXCOVKPGJX-CXAGYDPISA-N 1 0 416.865 2.966 20 5 HFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)cc(OC)c3[N+](=O)[O-])CC2)CC1 ZINC001164614655 719025759 /nfs/dbraw/zinc/02/57/59/719025759.db2.gz WIYYQNZLGYPBGI-UHFFFAOYSA-N 1 0 406.483 2.551 20 5 HFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825397 720323129 /nfs/dbraw/zinc/32/31/29/720323129.db2.gz DPLXDDJKFNBMLW-MSOLQXFVSA-N 1 0 401.511 2.518 20 5 HFBDRO Cc1c(C)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001164829022 720323146 /nfs/dbraw/zinc/32/31/46/720323146.db2.gz LJPKEHQFWCGUCZ-MSOLQXFVSA-N 1 0 401.511 2.518 20 5 HFBDRO Cc1cc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164733105 720526579 /nfs/dbraw/zinc/52/65/79/720526579.db2.gz ITOKCDNDSSPMHJ-INIZCTEOSA-N 1 0 407.478 2.755 20 5 HFBDRO COc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164842601 720531687 /nfs/dbraw/zinc/53/16/87/720531687.db2.gz YQSKEICYUPKELL-GVDBMIGSSA-N 1 0 400.483 2.573 20 5 HFBDRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164868381 721070898 /nfs/dbraw/zinc/07/08/98/721070898.db2.gz OFVZLANRIOSRSK-HOTGVXAUSA-N 1 0 403.870 2.826 20 5 HFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C[C@H]3C2)cn1 ZINC001164765663 721215175 /nfs/dbraw/zinc/21/51/75/721215175.db2.gz ICWYAIACKBNENH-QZTJIDSGSA-N 1 0 419.489 2.744 20 5 HFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891914 721402453 /nfs/dbraw/zinc/40/24/53/721402453.db2.gz WNTWBZGXAPWUPM-OXQOHEQNSA-N 1 0 423.945 2.717 20 5 HFBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001165009295 721744184 /nfs/dbraw/zinc/74/41/84/721744184.db2.gz BIQGOEJJGOLFIU-UHFFFAOYSA-N 1 0 424.505 2.575 20 5 HFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980121 722105046 /nfs/dbraw/zinc/10/50/46/722105046.db2.gz JRHBYUBGSOIGGS-CRAIPNDOSA-N 1 0 403.870 2.766 20 5 HFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980616 722105153 /nfs/dbraw/zinc/10/51/53/722105153.db2.gz JRHBYUBGSOIGGS-QAPCUYQASA-N 1 0 403.870 2.766 20 5 HFBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cnc2c1 ZINC001164984297 722105663 /nfs/dbraw/zinc/10/56/63/722105663.db2.gz SCZREBIOCJGIAW-UWJYYQICSA-N 1 0 420.473 2.660 20 5 HFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000793002030 1078045364 /nfs/dbraw/zinc/04/53/64/1078045364.db2.gz CPYMVCKRXRWFPA-PBHICJAKSA-N 1 0 402.495 2.774 20 5 HFBDRO CC1([NH+]2CCCC2)CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC001170140743 1078064747 /nfs/dbraw/zinc/06/47/47/1078064747.db2.gz RCCSNTLNWMOUFG-UHFFFAOYSA-N 1 0 416.478 2.760 20 5 HFBDRO Cc1cn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000772829096 1078100846 /nfs/dbraw/zinc/10/08/46/1078100846.db2.gz RGRDNTNQQQRTTR-IEBWSBKVSA-N 1 0 411.506 2.762 20 5 HFBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3c([N+](=O)[O-])cccc3[N+](=O)[O-])c2)C1 ZINC000804442139 1078506616 /nfs/dbraw/zinc/50/66/16/1078506616.db2.gz OAZZETYQGJXOMJ-MRXNPFEDSA-N 1 0 413.434 2.812 20 5 HFBDRO COCC[NH+](CCOC)C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000804818436 1078660133 /nfs/dbraw/zinc/66/01/33/1078660133.db2.gz FTIRSYBHGXNECN-UHFFFAOYSA-N 1 0 416.316 2.921 20 5 HFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000805111609 1078895954 /nfs/dbraw/zinc/89/59/54/1078895954.db2.gz ZPLQYMQTCIQKIQ-RISCZKNCSA-N 1 0 418.313 2.605 20 5 HFBDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000805762161 1079264104 /nfs/dbraw/zinc/26/41/04/1079264104.db2.gz NZNCSQRPDNKSQF-MRXNPFEDSA-N 1 0 420.466 2.836 20 5 HFBDRO [NH3+]CCN(c1ccc([N+](=O)[O-])c2cnccc21)S(=O)(=O)c1cccc2cnccc21 ZINC001170072644 1076803206 /nfs/dbraw/zinc/80/32/06/1076803206.db2.gz CYLUHOAVGXVAKQ-UHFFFAOYSA-N 1 0 423.454 2.845 20 5 HFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000746715405 1077002395 /nfs/dbraw/zinc/00/23/95/1077002395.db2.gz RFFHGQQVLXLOBP-HNNXBMFYSA-N 1 0 402.407 2.874 20 5 HFBDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000788502254 1077183684 /nfs/dbraw/zinc/18/36/84/1077183684.db2.gz IOLKWNRZPVQCGM-QVKFZJNVSA-N 1 0 400.479 2.910 20 5 HFBDRO CN(C)c1cc(F)c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000791204255 1077342578 /nfs/dbraw/zinc/34/25/78/1077342578.db2.gz GWPYOZQNHCYCAL-UHFFFAOYSA-N 1 0 401.442 2.589 20 5 HFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788912677 1077350544 /nfs/dbraw/zinc/35/05/44/1077350544.db2.gz KUHYAKMPVJGGDN-VXGBXAGGSA-N 1 0 420.329 2.756 20 5 HFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788914686 1077351846 /nfs/dbraw/zinc/35/18/46/1077351846.db2.gz DEVGNVFLOYWZNN-UHFFFAOYSA-N 1 0 420.329 2.854 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000788967076 1077365985 /nfs/dbraw/zinc/36/59/85/1077365985.db2.gz ZYOLNLZIWHSLAD-OAHLLOKOSA-N 1 0 423.466 2.636 20 5 HFBDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)c1 ZINC000791325848 1077374428 /nfs/dbraw/zinc/37/44/28/1077374428.db2.gz UWNIRXBPSSLKJB-UHFFFAOYSA-N 1 0 415.469 2.567 20 5 HFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@H](C)C1 ZINC000791366523 1077394732 /nfs/dbraw/zinc/39/47/32/1077394732.db2.gz JSRABTRULDSERV-RHSMWYFYSA-N 1 0 410.490 2.667 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c([N+](=O)[O-])c1 ZINC001170294564 1077929565 /nfs/dbraw/zinc/92/95/65/1077929565.db2.gz AXUSCYINZKZHBV-CNDLSXRNSA-N 1 0 421.494 2.758 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]CCN(C)CCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170312161 1077940180 /nfs/dbraw/zinc/94/01/80/1077940180.db2.gz DBXDHVMNHWBGPD-OAHLLOKOSA-N 1 0 410.515 2.581 20 5 HFBDRO COc1ccc(C[C@@H](C)N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC001170313358 1077940643 /nfs/dbraw/zinc/94/06/43/1077940643.db2.gz LSXNFVFYMAQLSJ-OAHLLOKOSA-N 1 0 413.478 2.771 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC001170321342 1077942569 /nfs/dbraw/zinc/94/25/69/1077942569.db2.gz AMSNPWTUUOJWRC-VERUCKTNSA-N 1 0 405.495 2.730 20 5 HFBDRO CCOC(=O)c1cc2n(n1)CCC[N@@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC001170336136 1077947223 /nfs/dbraw/zinc/94/72/23/1077947223.db2.gz UKWXKJNZAODXHN-CQSZACIVSA-N 1 0 402.451 2.814 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170309247 1077948319 /nfs/dbraw/zinc/94/83/19/1077948319.db2.gz PVCWNMJBIKFSSM-BTYIYWSLSA-N 1 0 423.510 2.886 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](Oc3nccc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355650 1077949247 /nfs/dbraw/zinc/94/92/47/1077949247.db2.gz NYNIVJHKZVPFQC-RHSMWYFYSA-N 1 0 402.451 2.876 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170340516 1077952889 /nfs/dbraw/zinc/95/28/89/1077952889.db2.gz MRWPTOATVZRDJZ-QSMXQIJUSA-N 1 0 417.506 2.540 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170341536 1077953382 /nfs/dbraw/zinc/95/33/82/1077953382.db2.gz KAUUIDGKAVVYBE-YBVWCTEOSA-N 1 0 424.501 2.958 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001170341568 1077953461 /nfs/dbraw/zinc/95/34/61/1077953461.db2.gz RKTMRMRKNQRPHV-CDMIOBSGSA-N 1 0 419.522 2.645 20 5 HFBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000772824746 1078040038 /nfs/dbraw/zinc/04/00/38/1078040038.db2.gz CBSCKJRSURNORZ-UWJYYQICSA-N 1 0 409.490 2.725 20 5 HFBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000792986097 1078041096 /nfs/dbraw/zinc/04/10/96/1078041096.db2.gz BJGYUZLYGMUKFA-OAHLLOKOSA-N 1 0 402.495 2.775 20 5 HFBDRO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC001130786707 1080097095 /nfs/dbraw/zinc/09/70/95/1080097095.db2.gz QIPKJLRVJKTVQE-KRWDZBQOSA-N 1 0 420.510 2.953 20 5 HFBDRO CCOC(=O)C1C[NH2+]CC=C1Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc(Cl)c1C ZINC001170515322 1080188759 /nfs/dbraw/zinc/18/87/59/1080188759.db2.gz IOWLFXKJOKKBSG-UHFFFAOYSA-N 1 0 417.853 2.658 20 5 HFBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000807544349 1080759888 /nfs/dbraw/zinc/75/98/88/1080759888.db2.gz QARWMCHJRFGQAE-YOEHRIQHSA-N 1 0 414.437 2.760 20 5 HFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000578372130 1126098210 /nfs/dbraw/zinc/09/82/10/1126098210.db2.gz PIYSFPQEJDBOSS-UHFFFAOYSA-N 1 0 424.238 2.819 20 5 HFBDRO CC(C)N(C)Cc1nn(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164683233 719612230 /nfs/dbraw/zinc/61/22/30/719612230.db2.gz HWYWIXIKTHILLC-UHFFFAOYSA-N 1 0 414.844 2.923 20 5 HFBDRO CC(C)N(C)Cc1nn(-c2ccc(-c3ccccc3[N+](=O)[O-])nn2)c2c1CC[NH2+]C2 ZINC001164679525 719645449 /nfs/dbraw/zinc/64/54/49/719645449.db2.gz FHSWCDITBDKLCA-UHFFFAOYSA-N 1 0 407.478 2.723 20 5 HFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820512 720310769 /nfs/dbraw/zinc/31/07/69/720310769.db2.gz HHXANXWSJIJOCD-SJORKVTESA-N 1 0 421.929 2.863 20 5 HFBDRO COc1cc2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2cc1[N+](=O)[O-] ZINC001164727726 720387365 /nfs/dbraw/zinc/38/73/65/720387365.db2.gz RFDZRIVOISBCSH-ROUUACIJSA-N 1 0 406.446 2.795 20 5 HFBDRO Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164836597 720508375 /nfs/dbraw/zinc/50/83/75/720508375.db2.gz NHAHCBBXVANOCI-ARFHVFGLSA-N 1 0 419.917 2.921 20 5 HFBDRO Cc1ccc(-c2ccc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nn2)cc1[N+](=O)[O-] ZINC001164733924 720520179 /nfs/dbraw/zinc/52/01/79/720520179.db2.gz MWGPULLXQSWCDY-INIZCTEOSA-N 1 0 407.478 2.755 20 5 HFBDRO COc1ncnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164844434 720690513 /nfs/dbraw/zinc/69/05/13/720690513.db2.gz RZWLXUPXFLYAHP-KRWDZBQOSA-N 1 0 413.478 2.653 20 5 HFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccccc1 ZINC001164746660 720802407 /nfs/dbraw/zinc/80/24/07/720802407.db2.gz MHLTVHBLPJMDPU-ZWKOTPCHSA-N 1 0 418.457 2.789 20 5 HFBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164857099 720850431 /nfs/dbraw/zinc/85/04/31/720850431.db2.gz XJAPDMUYNVJZCE-RHSMWYFYSA-N 1 0 420.897 2.970 20 5 HFBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164855896 720877357 /nfs/dbraw/zinc/87/73/57/720877357.db2.gz ICMVFLIZCDUKGN-IFXJQAMLSA-N 1 0 420.897 2.970 20 5 HFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164762608 721120717 /nfs/dbraw/zinc/12/07/17/721120717.db2.gz CYIAFXNBXVORQJ-QWHCGFSZSA-N 1 0 411.293 2.988 20 5 HFBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001164784418 721456828 /nfs/dbraw/zinc/45/68/28/721456828.db2.gz FEKUUUQMUMDDBV-GOSISDBHSA-N 1 0 422.501 2.863 20 5 HFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900452 721519487 /nfs/dbraw/zinc/51/94/87/721519487.db2.gz RCDDLNUWJORHDY-HIFRSBDPSA-N 1 0 407.833 2.828 20 5 HFBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001165010156 721733500 /nfs/dbraw/zinc/73/35/00/721733500.db2.gz CXMLCDQRFITMFD-UHFFFAOYSA-N 1 0 416.309 2.820 20 5 HFBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC001165031160 721844823 /nfs/dbraw/zinc/84/48/23/721844823.db2.gz VRDITRUAEVDLAC-UHFFFAOYSA-N 1 0 401.467 2.811 20 5 HFBDRO O=[N+]([O-])c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc2[nH]ccc21 ZINC001164959988 722058293 /nfs/dbraw/zinc/05/82/93/722058293.db2.gz BPHJOWCBDDLLNX-UHFFFAOYSA-N 1 0 422.489 2.985 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982042 722100496 /nfs/dbraw/zinc/10/04/96/722100496.db2.gz MMJFDQLEIIJXKB-NVXWUHKLSA-N 1 0 403.870 2.766 20 5 HFBDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1 ZINC000790530987 1078051906 /nfs/dbraw/zinc/05/19/06/1078051906.db2.gz QGCDJPFHZSDIMS-UHFFFAOYSA-N 1 0 422.844 2.860 20 5 HFBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000793247459 1078109563 /nfs/dbraw/zinc/10/95/63/1078109563.db2.gz OUMHKCNDHMZAQB-GOSISDBHSA-N 1 0 420.901 2.559 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790879540 1078169110 /nfs/dbraw/zinc/16/91/10/1078169110.db2.gz GYMBJBAIVOPMTI-NEPJUHHUSA-N 1 0 414.484 2.519 20 5 HFBDRO C[NH+](C)CCOc1ccccc1N1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804478939 1078520191 /nfs/dbraw/zinc/52/01/91/1078520191.db2.gz MSRDTBJWDNKLMS-UHFFFAOYSA-N 1 0 415.450 2.770 20 5 HFBDRO Cc1ccc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1Br ZINC000804567791 1078604547 /nfs/dbraw/zinc/60/45/47/1078604547.db2.gz YMEUDPNLACLOSX-AWEZNQCLSA-N 1 0 411.300 2.584 20 5 HFBDRO O=[N+]([O-])c1ccc(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c([N+](=O)[O-])c1 ZINC000804807488 1078636876 /nfs/dbraw/zinc/63/68/76/1078636876.db2.gz GXWWVAREIOKUMN-IBGZPJMESA-N 1 0 411.462 2.900 20 5 HFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000787681180 1076909200 /nfs/dbraw/zinc/90/92/00/1076909200.db2.gz AAYISHHQLFLZIR-MRXNPFEDSA-N 1 0 402.495 2.520 20 5 HFBDRO CC(C)OCC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000788065786 1077047963 /nfs/dbraw/zinc/04/79/63/1077047963.db2.gz FGAHWRFVUXBNDP-OAHLLOKOSA-N 1 0 405.417 2.912 20 5 HFBDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788563088 1077201745 /nfs/dbraw/zinc/20/17/45/1077201745.db2.gz KOHFFXBMMSJNTG-AWEZNQCLSA-N 1 0 406.508 2.856 20 5 HFBDRO CN(C)c1cc(F)c(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000791217847 1077333288 /nfs/dbraw/zinc/33/32/88/1077333288.db2.gz BITUOGOTDKUMHE-UHFFFAOYSA-N 1 0 408.474 2.565 20 5 HFBDRO CN(C)c1cc(F)c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000791205868 1077342643 /nfs/dbraw/zinc/34/26/43/1077342643.db2.gz RXWDXXYRWHUWDJ-UHFFFAOYSA-N 1 0 401.442 2.589 20 5 HFBDRO CN(C)c1cc(F)c(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC000791207667 1077343922 /nfs/dbraw/zinc/34/39/22/1077343922.db2.gz BMOAKYMZNZCNDE-UHFFFAOYSA-N 1 0 415.469 2.800 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000788959840 1077363664 /nfs/dbraw/zinc/36/36/64/1077363664.db2.gz GPIJXTLLGIIXSK-UHFFFAOYSA-N 1 0 423.466 2.636 20 5 HFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000791826783 1077575869 /nfs/dbraw/zinc/57/58/69/1077575869.db2.gz FKJFGXFPGCYDKJ-LAUBAEHRSA-N 1 0 408.458 2.726 20 5 HFBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789521121 1077615433 /nfs/dbraw/zinc/61/54/33/1077615433.db2.gz KHNLLIGIJGLEPI-SFHVURJKSA-N 1 0 424.457 2.626 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC001170335689 1077947017 /nfs/dbraw/zinc/94/70/17/1077947017.db2.gz QJKQLFFJXLDHBL-UKHYVGRKSA-N 1 0 417.506 2.636 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170309248 1077948261 /nfs/dbraw/zinc/94/82/61/1077948261.db2.gz PVCWNMJBIKFSSM-QVKFZJNVSA-N 1 0 423.510 2.886 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](Oc3nccc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355652 1077949213 /nfs/dbraw/zinc/94/92/13/1077949213.db2.gz NYNIVJHKZVPFQC-YOEHRIQHSA-N 1 0 402.451 2.876 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170339850 1077952601 /nfs/dbraw/zinc/95/26/01/1077952601.db2.gz KAOZKTBOMHPEFQ-AHRSYUTCSA-N 1 0 413.522 2.722 20 5 HFBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CC2)CN(CC2CC2)C(=O)CO3)c([N+](=O)[O-])c1 ZINC001170340850 1077953136 /nfs/dbraw/zinc/95/31/36/1077953136.db2.gz GSXCHKPNQXRWGY-INIZCTEOSA-N 1 0 417.506 2.638 20 5 HFBDRO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170343515 1077953872 /nfs/dbraw/zinc/95/38/72/1077953872.db2.gz PMLUHZWGZVFXQN-ZYSHUDEJSA-N 1 0 410.474 2.633 20 5 HFBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000772824744 1078039897 /nfs/dbraw/zinc/03/98/97/1078039897.db2.gz CBSCKJRSURNORZ-UTKZUKDTSA-N 1 0 409.490 2.725 20 5 HFBDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cn2)CC1 ZINC000790493916 1078043357 /nfs/dbraw/zinc/04/33/57/1078043357.db2.gz CXEAAZDXTMKWSS-UHFFFAOYSA-N 1 0 407.833 2.715 20 5 HFBDRO C[C@]1(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001130610536 1079630080 /nfs/dbraw/zinc/63/00/80/1079630080.db2.gz SDIBPUVFWFXEBC-NRFANRHFSA-N 1 0 406.446 2.570 20 5 HFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000806724425 1079948202 /nfs/dbraw/zinc/94/82/02/1079948202.db2.gz VMGBJXBGVAZIBO-AWEZNQCLSA-N 1 0 413.316 2.783 20 5 HFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000806855183 1080060072 /nfs/dbraw/zinc/06/00/72/1080060072.db2.gz BJOPNDAMWRLOKI-LBPRGKRZSA-N 1 0 411.300 2.909 20 5 HFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000747372659 1080286462 /nfs/dbraw/zinc/28/64/62/1080286462.db2.gz BWRLFVJWUIPSIE-WLLUSJSYSA-N 1 0 411.886 2.726 20 5 HFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000807355666 1080518082 /nfs/dbraw/zinc/51/80/82/1080518082.db2.gz UFCGSOYJWAUKON-GOEBONIOSA-N 1 0 402.495 2.916 20 5 HFBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000805281406 1080538587 /nfs/dbraw/zinc/53/85/87/1080538587.db2.gz NARYCKGKVTYBLC-UHFFFAOYSA-N 1 0 421.494 2.908 20 5 HFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000807413416 1080612495 /nfs/dbraw/zinc/61/24/95/1080612495.db2.gz NWESKCTVYBWBGC-UHFFFAOYSA-N 1 0 408.842 2.760 20 5 HFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC001198230827 1126155891 /nfs/dbraw/zinc/15/58/91/1126155891.db2.gz SBLSJWUGUNSQIW-FQEVSTJZSA-N 1 0 400.435 2.572 20 5 HFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)C2 ZINC001164812993 720180163 /nfs/dbraw/zinc/18/01/63/720180163.db2.gz BHWGQXHRCSAEMM-DYESRHJHSA-N 1 0 404.511 2.962 20 5 HFBDRO CC(C)Oc1nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ccc1[N+](=O)[O-] ZINC001164736977 720586516 /nfs/dbraw/zinc/58/65/16/720586516.db2.gz XBAFZCDMHAKWOW-UHFFFAOYSA-N 1 0 400.483 2.632 20 5 HFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccccc1 ZINC001164746658 720802368 /nfs/dbraw/zinc/80/23/68/720802368.db2.gz MHLTVHBLPJMDPU-QZTJIDSGSA-N 1 0 418.457 2.789 20 5 HFBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164855900 720877075 /nfs/dbraw/zinc/87/70/75/720877075.db2.gz ICMVFLIZCDUKGN-KUHUBIRLSA-N 1 0 420.897 2.970 20 5 HFBDRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164868379 721071869 /nfs/dbraw/zinc/07/18/69/721071869.db2.gz OFVZLANRIOSRSK-CVEARBPZSA-N 1 0 403.870 2.826 20 5 HFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164772632 721099759 /nfs/dbraw/zinc/09/97/59/721099759.db2.gz VJDGFNFWZCIUSA-QWHCGFSZSA-N 1 0 411.293 2.988 20 5 HFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc([N+](=O)[O-])cc5)nn4)C[C@H]3C2)cn1 ZINC001164771444 721192150 /nfs/dbraw/zinc/19/21/50/721192150.db2.gz PXAINCJWQJUVTF-RBUKOAKNSA-N 1 0 419.489 2.744 20 5 HFBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CCC[C@H]([NH+](C)C)C3)c2c1C ZINC001165035011 721897808 /nfs/dbraw/zinc/89/78/08/721897808.db2.gz JYXKZFVLEBHCCZ-AWEZNQCLSA-N 1 0 415.523 2.992 20 5 HFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952007 722018193 /nfs/dbraw/zinc/01/81/93/722018193.db2.gz FSZIODLWFIJZES-UHFFFAOYSA-N 1 0 403.870 2.769 20 5 HFBDRO COc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncc1[N+](=O)[O-] ZINC001164962222 722054951 /nfs/dbraw/zinc/05/49/51/722054951.db2.gz BOEGOPJGYZUHFU-UHFFFAOYSA-N 1 0 413.478 2.512 20 5 HFBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164980071 722100974 /nfs/dbraw/zinc/10/09/74/722100974.db2.gz JESYCAALRSHABX-MAUKXSAKSA-N 1 0 403.870 2.766 20 5 HFBDRO O=[N+]([O-])c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc2[nH]ccc21 ZINC001164981119 722131745 /nfs/dbraw/zinc/13/17/45/722131745.db2.gz OODGGLHDTPMVEL-APWZRJJASA-N 1 0 408.462 2.593 20 5 HFBDRO COc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(OC)c1[N+](=O)[O-] ZINC001164994833 722199822 /nfs/dbraw/zinc/19/98/22/722199822.db2.gz QAKBZHAALYCXFJ-HXUWFJFHSA-N 1 0 417.441 2.786 20 5 HFBDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000790770027 1078128465 /nfs/dbraw/zinc/12/84/65/1078128465.db2.gz NYJMMAYUKXAELE-GFCCVEGCSA-N 1 0 411.300 2.767 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000790824221 1078157241 /nfs/dbraw/zinc/15/72/41/1078157241.db2.gz SGFUGVDUOCQJBY-UHFFFAOYSA-N 1 0 414.484 2.613 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000790834612 1078160669 /nfs/dbraw/zinc/16/06/69/1078160669.db2.gz FCLMQNRPRHIBQZ-GFCCVEGCSA-N 1 0 414.484 2.520 20 5 HFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000805111536 1078896505 /nfs/dbraw/zinc/89/65/05/1078896505.db2.gz XWWYERBBWKRYFF-YPMHNXCESA-N 1 0 418.313 2.605 20 5 HFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000787588463 1076861585 /nfs/dbraw/zinc/86/15/85/1076861585.db2.gz BCHVFYGITBLBPX-UHFFFAOYSA-N 1 0 404.511 2.768 20 5 HFBDRO CS[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000790930122 1077237420 /nfs/dbraw/zinc/23/74/20/1077237420.db2.gz KBOYMCRXPWEWQC-CVEARBPZSA-N 1 0 401.891 2.968 20 5 HFBDRO COc1ccc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)nc1[N+](=O)[O-] ZINC001170146429 1077258022 /nfs/dbraw/zinc/25/80/22/1077258022.db2.gz MAYWYCAJSYTUAZ-UHFFFAOYSA-N 1 0 407.434 2.908 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1[N+](=O)[O-] ZINC000788960505 1077363741 /nfs/dbraw/zinc/36/37/41/1077363741.db2.gz OXUVFMNUQUIUCB-ZDUSSCGKSA-N 1 0 413.430 2.516 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](O)c2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000788965183 1077365275 /nfs/dbraw/zinc/36/52/75/1077365275.db2.gz UDCVRCZOYIKCOU-HNNXBMFYSA-N 1 0 412.801 2.762 20 5 HFBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1 ZINC000791390646 1077397016 /nfs/dbraw/zinc/39/70/16/1077397016.db2.gz CSPSJDOKGHQSDX-SFHVURJKSA-N 1 0 402.426 2.892 20 5 HFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000792369161 1077819272 /nfs/dbraw/zinc/81/92/72/1077819272.db2.gz RCWUZHOBSWYHGU-HNNXBMFYSA-N 1 0 416.865 2.825 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c([N+](=O)[O-])c1 ZINC001170300426 1077931741 /nfs/dbraw/zinc/93/17/41/1077931741.db2.gz ZXJLJJRUFPWBFS-RHSMWYFYSA-N 1 0 409.483 2.760 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c([N+](=O)[O-])c1 ZINC001170304472 1077932814 /nfs/dbraw/zinc/93/28/14/1077932814.db2.gz CGFUTEFFWUVTGA-SIXWZSSISA-N 1 0 423.510 2.742 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c([N+](=O)[O-])c1 ZINC001170305442 1077933480 /nfs/dbraw/zinc/93/34/80/1077933480.db2.gz KQUIFXCWRDARLC-SKDZVZGDSA-N 1 0 409.483 2.758 20 5 HFBDRO CCOc1cc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001170281069 1077936911 /nfs/dbraw/zinc/93/69/11/1077936911.db2.gz URNRFWQCOHJHOI-KBPBESRZSA-N 1 0 401.385 2.836 20 5 HFBDRO COc1ccc(C[C@H](C)N(CC(C)(C)[NH3+])S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170313585 1077940875 /nfs/dbraw/zinc/94/08/75/1077940875.db2.gz PFHVLRPCCXXVLB-HNNXBMFYSA-N 1 0 421.519 2.963 20 5 HFBDRO COc1ccc(S(C)(=O)=O)c(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170327197 1077944118 /nfs/dbraw/zinc/94/41/18/1077944118.db2.gz FOEMMIJNCKFGJP-ZDUSSCGKSA-N 1 0 408.476 2.736 20 5 HFBDRO COc1ccc(C[C@H](C)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)c([N+](=O)[O-])c1 ZINC001170334784 1077946797 /nfs/dbraw/zinc/94/67/97/1077946797.db2.gz INSIFQKOOSCVHV-AWEZNQCLSA-N 1 0 424.461 2.665 20 5 HFBDRO COCCN1CCOC[C@]2(CCC[N@@H+]([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001170336536 1077947382 /nfs/dbraw/zinc/94/73/82/1077947382.db2.gz YUPNWJSATYUELM-PGRDOPGGSA-N 1 0 421.538 2.595 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001170336558 1077947632 /nfs/dbraw/zinc/94/76/32/1077947632.db2.gz ZIENAZYQJMLCAS-PAXLWEDBSA-N 1 0 410.474 2.805 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(n3nnc4ccccc4c3=O)CC2)c([N+](=O)[O-])c1 ZINC001170352792 1077948496 /nfs/dbraw/zinc/94/84/96/1077948496.db2.gz QKVJRZRTRJEQPS-OAHLLOKOSA-N 1 0 423.473 2.976 20 5 HFBDRO COc1ccc(C[C@@H](C)N(c2nc(C)cc(OC)n2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001170354025 1077948734 /nfs/dbraw/zinc/94/87/34/1077948734.db2.gz GXPKTFFJROGJPB-OAHLLOKOSA-N 1 0 415.494 2.900 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c([N+](=O)[O-])c1 ZINC001170355472 1077948985 /nfs/dbraw/zinc/94/89/85/1077948985.db2.gz GHNDULUJFFDWAC-KDOFPFPSSA-N 1 0 421.494 2.760 20 5 HFBDRO COc1ccc(C[C@H](C)[N@H+]2CCc3ncc(Cn4cccn4)n3CC2)c([N+](=O)[O-])c1 ZINC001170338827 1077952079 /nfs/dbraw/zinc/95/20/79/1077952079.db2.gz DFHDYJLIKXYZOE-INIZCTEOSA-N 1 0 410.478 2.534 20 5 HFBDRO COc1ccc(C[C@H](C)n2nc(C(=O)NC3CCC3)c3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001170340865 1077953154 /nfs/dbraw/zinc/95/31/54/1077953154.db2.gz HCRGWOZTNNLKGH-ZDUSSCGKSA-N 1 0 413.478 2.532 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H](OCC3CCOCC3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC001170341387 1077953431 /nfs/dbraw/zinc/95/34/31/1077953431.db2.gz QAKVQXLRBNLYIF-RGGPELTISA-N 1 0 420.506 2.677 20 5 HFBDRO [NH3+]CCOCCOCCNc1nc2ccsc2c(Oc2cccc([N+](=O)[O-])c2)n1 ZINC001170509195 1079741558 /nfs/dbraw/zinc/74/15/58/1079741558.db2.gz ZYKPNEIAEODLTO-UHFFFAOYSA-N 1 0 419.463 2.796 20 5 HFBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F)c1ccco1 ZINC000807311007 1080504317 /nfs/dbraw/zinc/50/43/17/1080504317.db2.gz XFELXELWBHGPFP-RISCZKNCSA-N 1 0 406.414 2.819 20 5 HFBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)ncc1[N+](=O)[O-])CC2 ZINC001164719458 720114265 /nfs/dbraw/zinc/11/42/65/720114265.db2.gz XGKFAJJXROWJET-GOSISDBHSA-N 1 0 412.494 2.596 20 5 HFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)C2 ZINC001164812996 720179180 /nfs/dbraw/zinc/17/91/80/720179180.db2.gz BHWGQXHRCSAEMM-UWJYYQICSA-N 1 0 404.511 2.962 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001164820988 720292276 /nfs/dbraw/zinc/29/22/76/720292276.db2.gz INTZUULIMZNSPZ-HZPDHXFCSA-N 1 0 407.902 2.555 20 5 HFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825399 720322821 /nfs/dbraw/zinc/32/28/21/720322821.db2.gz DPLXDDJKFNBMLW-ROUUACIJSA-N 1 0 401.511 2.518 20 5 HFBDRO CCOc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164840654 720578764 /nfs/dbraw/zinc/57/87/64/720578764.db2.gz QEYLLVYLWABHPA-KZNAEPCWSA-N 1 0 414.510 2.963 20 5 HFBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164862948 720889403 /nfs/dbraw/zinc/88/94/03/720889403.db2.gz SDBDLLNQCMMIMT-KXBFYZLASA-N 1 0 420.897 2.970 20 5 HFBDRO CC(C)Oc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164878325 721158838 /nfs/dbraw/zinc/15/88/38/721158838.db2.gz PSRWRTBMNWQGHT-QZTJIDSGSA-N 1 0 413.478 2.652 20 5 HFBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001165022055 721843449 /nfs/dbraw/zinc/84/34/49/721843449.db2.gz OJLFPGUBUSEHGZ-UHFFFAOYSA-N 1 0 401.467 2.690 20 5 HFBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001164931431 721885802 /nfs/dbraw/zinc/88/58/02/721885802.db2.gz FEUMRUAFMZCRJI-ZWKOTPCHSA-N 1 0 416.913 2.920 20 5 HFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955065 722013006 /nfs/dbraw/zinc/01/30/06/722013006.db2.gz SIGZJMDTAYGTNB-UHFFFAOYSA-N 1 0 411.462 2.664 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164955287 722019273 /nfs/dbraw/zinc/01/92/73/722019273.db2.gz DIOAOHIWXITELJ-UHFFFAOYSA-N 1 0 403.870 2.769 20 5 HFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164973915 722127093 /nfs/dbraw/zinc/12/70/93/722127093.db2.gz HZDNBIKUHIXZCS-LPHOPBHVSA-N 1 0 408.462 2.593 20 5 HFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164973946 722152874 /nfs/dbraw/zinc/15/28/74/722152874.db2.gz NOOVZROTYPFFQQ-XLIONFOSSA-N 1 0 420.473 2.660 20 5 HFBDRO C[C@@H]1C[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[N@@H+]1C ZINC000790771014 1078129220 /nfs/dbraw/zinc/12/92/20/1078129220.db2.gz UBWWQXWDLWCUHP-VXGBXAGGSA-N 1 0 411.300 2.908 20 5 HFBDRO C[C@@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[N@H+](C)C1CC1 ZINC000790772180 1078129523 /nfs/dbraw/zinc/12/95/23/1078129523.db2.gz XDHQPTYFHNLZSV-NSHDSACASA-N 1 0 411.300 2.908 20 5 HFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000790854071 1078151201 /nfs/dbraw/zinc/15/12/01/1078151201.db2.gz SQGRQOUIQNXEEV-UHFFFAOYSA-N 1 0 414.484 2.520 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c(C)c1[N+](=O)[O-] ZINC000790820207 1078154868 /nfs/dbraw/zinc/15/48/68/1078154868.db2.gz WBDIFSHMBQFWHI-UHFFFAOYSA-N 1 0 414.484 2.663 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790825738 1078158131 /nfs/dbraw/zinc/15/81/31/1078158131.db2.gz AHNYDAWGAXVAJA-NEPJUHHUSA-N 1 0 414.484 2.519 20 5 HFBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001129800094 1078476421 /nfs/dbraw/zinc/47/64/21/1078476421.db2.gz KHDNMIJIHMWBJL-UHFFFAOYSA-N 1 0 403.357 2.812 20 5 HFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804527765 1078566456 /nfs/dbraw/zinc/56/64/56/1078566456.db2.gz SUTKVVMGFHAQRQ-QGZVFWFLSA-N 1 0 409.490 2.744 20 5 HFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001129584902 1078583707 /nfs/dbraw/zinc/58/37/07/1078583707.db2.gz LHTYKEUTORLNFR-UHFFFAOYSA-N 1 0 414.491 2.500 20 5 HFBDRO CCCN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000804808792 1078636952 /nfs/dbraw/zinc/63/69/52/1078636952.db2.gz KYEHTYBUXKKWGR-UHFFFAOYSA-N 1 0 410.540 2.692 20 5 HFBDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001129701495 1078660046 /nfs/dbraw/zinc/66/00/46/1078660046.db2.gz SZVNUMRSKMZCRF-UHFFFAOYSA-N 1 0 414.491 2.749 20 5 HFBDRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000805765674 1079265888 /nfs/dbraw/zinc/26/58/88/1079265888.db2.gz XLTBXQCTKYAZDB-MRXNPFEDSA-N 1 0 406.483 2.963 20 5 HFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805801542 1079280486 /nfs/dbraw/zinc/28/04/86/1079280486.db2.gz OXKCTEGTXLFWHX-ZFWWWQNUSA-N 1 0 422.482 2.920 20 5 HFBDRO O=C(NC1CCCCC1)OC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000805828828 1079298422 /nfs/dbraw/zinc/29/84/22/1079298422.db2.gz BWAUNYSPKHZPCQ-GOSISDBHSA-N 1 0 406.483 2.670 20 5 HFBDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ncc4cccc([N+](=O)[O-])c4n3)cc2)CC1 ZINC001170490343 1079314114 /nfs/dbraw/zinc/31/41/14/1079314114.db2.gz QQBFTLYYNOOEQL-QQFBHYJXSA-N 1 0 420.473 2.910 20 5 HFBDRO O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])C1CC[NH+](C2CC2)CC1 ZINC000805877604 1079318238 /nfs/dbraw/zinc/31/82/38/1079318238.db2.gz MGYYVHIVAYTTQB-KRWDZBQOSA-N 1 0 401.463 2.617 20 5 HFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC000787809830 1076966097 /nfs/dbraw/zinc/96/60/97/1076966097.db2.gz QZQZANUJGAXNPD-JTQLQIEISA-N 1 0 418.235 2.615 20 5 HFBDRO C[C@H]1C[NH+](CCCCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000791134328 1077316043 /nfs/dbraw/zinc/31/60/43/1077316043.db2.gz WLFLCWHCCZPEHQ-STQMWFEESA-N 1 0 401.866 2.935 20 5 HFBDRO C[C@@H]1C[NH+](CCCCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000791134327 1077316182 /nfs/dbraw/zinc/31/61/82/1077316182.db2.gz WLFLCWHCCZPEHQ-CHWSQXEVSA-N 1 0 401.866 2.935 20 5 HFBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791372628 1077385632 /nfs/dbraw/zinc/38/56/32/1077385632.db2.gz FITOXBJIXLXLPD-UHFFFAOYSA-N 1 0 417.441 2.719 20 5 HFBDRO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940420 1077600481 /nfs/dbraw/zinc/60/04/81/1077600481.db2.gz SDSVOSFUUAYCHT-SVMVAKDDSA-N 1 0 420.469 2.678 20 5 HFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000789513118 1077604782 /nfs/dbraw/zinc/60/47/82/1077604782.db2.gz GPNSXZUJZCTJNQ-WBVHZDCISA-N 1 0 404.419 2.828 20 5 HFBDRO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000789557490 1077676058 /nfs/dbraw/zinc/67/60/58/1077676058.db2.gz JAODLWBNCAJZPL-AWEZNQCLSA-N 1 0 404.810 2.760 20 5 HFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000792367795 1077818129 /nfs/dbraw/zinc/81/81/29/1077818129.db2.gz HWHZHAJXFRTQSS-HNNXBMFYSA-N 1 0 416.865 2.825 20 5 HFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000792485351 1077878459 /nfs/dbraw/zinc/87/84/59/1077878459.db2.gz XVRCXVHVFIIPGM-AWEZNQCLSA-N 1 0 401.282 2.947 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])c1 ZINC001170296231 1077930504 /nfs/dbraw/zinc/93/05/04/1077930504.db2.gz FVGVMJIDUKUNSK-IVZHQMGZSA-N 1 0 421.494 2.902 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]C2(CO)CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170298256 1077931143 /nfs/dbraw/zinc/93/11/43/1077931143.db2.gz HWZZEOHKZSGALX-OAHLLOKOSA-N 1 0 423.510 2.886 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c([N+](=O)[O-])c1 ZINC001170305441 1077933447 /nfs/dbraw/zinc/93/34/47/1077933447.db2.gz KQUIFXCWRDARLC-OWQGQXMQSA-N 1 0 409.483 2.758 20 5 HFBDRO CCOC(=O)Cn1nc(C)c(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1C ZINC001170330057 1077944858 /nfs/dbraw/zinc/94/48/58/1077944858.db2.gz XIWJTJAZQXRJSK-ZDUSSCGKSA-N 1 0 404.467 2.701 20 5 HFBDRO CCOC(=O)c1nc([C@H]2CCC[NH2+]C2)n([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001170353952 1077948739 /nfs/dbraw/zinc/94/87/39/1077948739.db2.gz GLDLCJJKJLALMB-HIFRSBDPSA-N 1 0 417.466 2.642 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)c([N+](=O)[O-])c1 ZINC001170339411 1077952262 /nfs/dbraw/zinc/95/22/62/1077952262.db2.gz BHNJNFBNYLRYKZ-RBQRDFNRSA-N 1 0 417.506 2.542 20 5 HFBDRO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341532 1077953348 /nfs/dbraw/zinc/95/33/48/1077953348.db2.gz KAOZKTBOMHPEFQ-PWIZWCRZSA-N 1 0 413.522 2.722 20 5 HFBDRO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001130733567 1079973173 /nfs/dbraw/zinc/97/31/73/1079973173.db2.gz SZDYIMMCJMIVJI-UXHICEINSA-N 1 0 417.412 2.989 20 5 HFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000807452970 1080632828 /nfs/dbraw/zinc/63/28/28/1080632828.db2.gz BYZIVBFGTDCGDW-RHSMWYFYSA-N 1 0 402.495 2.916 20 5 HFBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@H](C)[N@@H+](C)C[C@H]3C)c2c1C ZINC001164635947 719246656 /nfs/dbraw/zinc/24/66/56/719246656.db2.gz RLEMWGXFZQIJAU-NWDGAFQWSA-N 1 0 415.523 2.990 20 5 HFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)C2 ZINC001164812995 720179526 /nfs/dbraw/zinc/17/95/26/720179526.db2.gz BHWGQXHRCSAEMM-UTKZUKDTSA-N 1 0 404.511 2.962 20 5 HFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164813460 720218312 /nfs/dbraw/zinc/21/83/12/720218312.db2.gz MPGAJAKTBMIPAC-UHFFFAOYSA-N 1 0 420.901 2.759 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001164820073 720291452 /nfs/dbraw/zinc/29/14/52/720291452.db2.gz GRBSXGPGLBSXAS-JKSUJKDBSA-N 1 0 407.902 2.555 20 5 HFBDRO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164841669 720519449 /nfs/dbraw/zinc/51/94/49/720519449.db2.gz ZJHPOAMJYWMZFM-IXDOHACOSA-N 1 0 400.483 2.573 20 5 HFBDRO Cc1ccc(-c2ccc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nn2)cc1[N+](=O)[O-] ZINC001164733926 720520452 /nfs/dbraw/zinc/52/04/52/720520452.db2.gz MWGPULLXQSWCDY-MRXNPFEDSA-N 1 0 407.478 2.755 20 5 HFBDRO COc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001164835431 720536378 /nfs/dbraw/zinc/53/63/78/720536378.db2.gz HJFUTQAYIXDVED-LZLYRXPVSA-N 1 0 400.483 2.573 20 5 HFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc21 ZINC001164962366 722057417 /nfs/dbraw/zinc/05/74/17/722057417.db2.gz DHUOJMYOVDPBBX-UHFFFAOYSA-N 1 0 422.489 2.985 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978379 722100980 /nfs/dbraw/zinc/10/09/80/722100980.db2.gz GTGYGWPLYDCWDK-CRAIPNDOSA-N 1 0 403.870 2.766 20 5 HFBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cnc2c1 ZINC001164984295 722105780 /nfs/dbraw/zinc/10/57/80/722105780.db2.gz SCZREBIOCJGIAW-LAUBAEHRSA-N 1 0 420.473 2.660 20 5 HFBDRO Cc1cc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1[N+](=O)[O-] ZINC001165000596 722252050 /nfs/dbraw/zinc/25/20/50/722252050.db2.gz TWKNTGPADPWQAZ-UHFFFAOYSA-N 1 0 408.890 2.637 20 5 HFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000793045733 1078054960 /nfs/dbraw/zinc/05/49/60/1078054960.db2.gz CBXPZNHWKXKSKK-YOEHRIQHSA-N 1 0 402.495 2.774 20 5 HFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)c1F ZINC000790811854 1078126455 /nfs/dbraw/zinc/12/64/55/1078126455.db2.gz BOZWUIXUIQNFIX-UHFFFAOYSA-N 1 0 414.437 2.611 20 5 HFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790777153 1078130874 /nfs/dbraw/zinc/13/08/74/1078130874.db2.gz HCRKPHDLXJPFOV-BZNIZROVSA-N 1 0 423.311 2.908 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000790824229 1078157172 /nfs/dbraw/zinc/15/71/72/1078157172.db2.gz KGXGWULRQUMPEZ-UHFFFAOYSA-N 1 0 402.473 2.517 20 5 HFBDRO Cn1cc([C@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC001170434023 1078201509 /nfs/dbraw/zinc/20/15/09/1078201509.db2.gz DGYOEZZIYXWEGM-QGZVFWFLSA-N 1 0 413.478 2.553 20 5 HFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000804370525 1078437312 /nfs/dbraw/zinc/43/73/12/1078437312.db2.gz QGIPQHYVODRUDX-UHFFFAOYSA-N 1 0 404.511 2.718 20 5 HFBDRO O=[N+]([O-])c1ccc(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c2nonc21 ZINC000804809134 1078638608 /nfs/dbraw/zinc/63/86/08/1078638608.db2.gz PDCRLCAZJIBQTI-KRWDZBQOSA-N 1 0 408.462 2.528 20 5 HFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000804812116 1078657122 /nfs/dbraw/zinc/65/71/22/1078657122.db2.gz JPTYRFNWAURXIA-UHFFFAOYSA-N 1 0 400.391 2.610 20 5 HFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000747227366 1078869423 /nfs/dbraw/zinc/86/94/23/1078869423.db2.gz NMPQQBDVHXYURP-ZDUSSCGKSA-N 1 0 421.466 2.528 20 5 HFBDRO CC(C)C[N@H+](C)CCCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001130523415 1079458546 /nfs/dbraw/zinc/45/85/46/1079458546.db2.gz ALBICPMLWLCKGD-UHFFFAOYSA-N 1 0 419.263 2.907 20 5 HFBDRO COC(=O)c1cc(NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000788532117 1077204497 /nfs/dbraw/zinc/20/44/97/1077204497.db2.gz JBTCTCIQVLYDLT-RMKNXTFCSA-N 1 0 413.430 2.974 20 5 HFBDRO CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C[NH+]1CCCC1 ZINC000790935273 1077239552 /nfs/dbraw/zinc/23/95/52/1077239552.db2.gz DYFGLDAVANEKHC-UHFFFAOYSA-N 1 0 420.329 2.758 20 5 HFBDRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788755344 1077277611 /nfs/dbraw/zinc/27/76/11/1077277611.db2.gz RTXSDPULJAYPKR-GFCCVEGCSA-N 1 0 408.455 2.707 20 5 HFBDRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000791139771 1077318189 /nfs/dbraw/zinc/31/81/89/1077318189.db2.gz MBTFHGFGEXAKOD-GASCZTMLSA-N 1 0 412.893 2.605 20 5 HFBDRO COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[NH+]2CCCC2)c1 ZINC000791298888 1077361238 /nfs/dbraw/zinc/36/12/38/1077361238.db2.gz HOWVNLXJPSHRLX-LJQANCHMSA-N 1 0 402.426 2.892 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000788963445 1077364527 /nfs/dbraw/zinc/36/45/27/1077364527.db2.gz CADQBRLUAMSUKS-INIZCTEOSA-N 1 0 412.801 2.762 20 5 HFBDRO COC(=O)COc1ccc(CNc2ccccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000788968894 1077366381 /nfs/dbraw/zinc/36/63/81/1077366381.db2.gz XYFBUYZRBBJXIL-UHFFFAOYSA-N 1 0 414.462 2.511 20 5 HFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000791342558 1077380127 /nfs/dbraw/zinc/38/01/27/1077380127.db2.gz HWPGQOJOGGNZBX-GFCCVEGCSA-N 1 0 419.432 2.698 20 5 HFBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000789513140 1077604810 /nfs/dbraw/zinc/60/48/10/1077604810.db2.gz HMEPQISPMOYTIR-HNNXBMFYSA-N 1 0 423.466 2.588 20 5 HFBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)C(C)C ZINC000790050767 1077929931 /nfs/dbraw/zinc/92/99/31/1077929931.db2.gz BLZOIHPNMBUVJE-UHFFFAOYSA-N 1 0 408.318 2.674 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]CC2(O)CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170297144 1077930791 /nfs/dbraw/zinc/93/07/91/1077930791.db2.gz KKUDJSLKLPJEBM-HNNXBMFYSA-N 1 0 423.510 2.886 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3COC[C@H]23)c([N+](=O)[O-])c1 ZINC001170298131 1077931133 /nfs/dbraw/zinc/93/11/33/1077931133.db2.gz FZUPFJBKJIQEBP-CNDLSXRNSA-N 1 0 421.494 2.758 20 5 HFBDRO COc1ccc(C[C@@H](C)N(c2ccnc(OC)n2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001170355494 1077949208 /nfs/dbraw/zinc/94/92/08/1077949208.db2.gz HCWBDMVIQSHNFV-CQSZACIVSA-N 1 0 401.467 2.592 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](Oc3nc(C)cc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355627 1077949242 /nfs/dbraw/zinc/94/92/42/1077949242.db2.gz MXIRVWBXPVRFAK-RHSMWYFYSA-N 1 0 402.451 2.795 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170341670 1077953394 /nfs/dbraw/zinc/95/33/94/1077953394.db2.gz SFFZMVLHOHGOPT-CMBBURJTSA-N 1 0 417.506 2.540 20 5 HFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC001130589412 1079569527 /nfs/dbraw/zinc/56/95/27/1079569527.db2.gz IURYXIOEHOUBFC-MXWKQRLJSA-N 1 0 417.247 2.753 20 5 HFBDRO C[C@@]1(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001130610538 1079630028 /nfs/dbraw/zinc/63/00/28/1079630028.db2.gz SDIBPUVFWFXEBC-OAQYLSRUSA-N 1 0 406.446 2.570 20 5 HFBDRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)c2c1CC[NH2+]C2 ZINC001164685191 719615253 /nfs/dbraw/zinc/61/52/53/719615253.db2.gz SLOLEDVLCJSARL-UHFFFAOYSA-N 1 0 415.885 2.863 20 5 HFBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc3cc([N+](=O)[O-])ccc31)CCC2 ZINC001164817426 720244942 /nfs/dbraw/zinc/24/49/42/720244942.db2.gz RFEBOMXJMSSEBV-UHFFFAOYSA-N 1 0 422.489 2.950 20 5 HFBDRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164819234 720308804 /nfs/dbraw/zinc/30/88/04/720308804.db2.gz CYKYPJSHFPBAKW-HZPDHXFCSA-N 1 0 421.929 2.863 20 5 HFBDRO COc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164842604 720532391 /nfs/dbraw/zinc/53/23/91/720532391.db2.gz YQSKEICYUPKELL-YESZJQIVSA-N 1 0 400.483 2.573 20 5 HFBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)CC[C@@H]2C1 ZINC001164856889 720861792 /nfs/dbraw/zinc/86/17/92/720861792.db2.gz PUHPCDWVCFPEAN-KDOFPFPSSA-N 1 0 420.897 2.970 20 5 HFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900457 721520034 /nfs/dbraw/zinc/52/00/34/721520034.db2.gz RCDDLNUWJORHDY-ZFWWWQNUSA-N 1 0 407.833 2.828 20 5 HFBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@H]2CCCO[C@H]12 ZINC001164809902 721563087 /nfs/dbraw/zinc/56/30/87/721563087.db2.gz YAHCURONFUXHQQ-CDXJDZJCSA-N 1 0 408.462 2.734 20 5 HFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164973920 722126984 /nfs/dbraw/zinc/12/69/84/722126984.db2.gz HZDNBIKUHIXZCS-VQIMIIECSA-N 1 0 408.462 2.593 20 5 HFBDRO O=[N+]([O-])c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2[nH]ccc21 ZINC001164981125 722131689 /nfs/dbraw/zinc/13/16/89/722131689.db2.gz OODGGLHDTPMVEL-VQIMIIECSA-N 1 0 408.462 2.593 20 5 HFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164973941 722153091 /nfs/dbraw/zinc/15/30/91/722153091.db2.gz NOOVZROTYPFFQQ-PXNSSMCTSA-N 1 0 420.473 2.660 20 5 HFBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc([N+](=O)[O-])c3ccccc31)CCC2 ZINC001165000558 722253049 /nfs/dbraw/zinc/25/30/49/722253049.db2.gz RVWZEAVOGIKCKV-UHFFFAOYSA-N 1 0 410.478 2.828 20 5 HFBDRO COc1cc[nH+]c(N2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000790553193 1078054503 /nfs/dbraw/zinc/05/45/03/1078054503.db2.gz FMANNBHCLSNAHT-UHFFFAOYSA-N 1 0 408.817 2.682 20 5 HFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000790851065 1078149137 /nfs/dbraw/zinc/14/91/37/1078149137.db2.gz BNVCBEVRARVNHK-FZMZJTMJSA-N 1 0 414.484 2.613 20 5 HFBDRO CC(C)CN(C(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O)C1CC[NH+](C)CC1 ZINC001129572435 1078565336 /nfs/dbraw/zinc/56/53/36/1078565336.db2.gz LRTMQQMIGWCHJH-UHFFFAOYSA-N 1 0 424.448 2.612 20 5 HFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000805113784 1078898480 /nfs/dbraw/zinc/89/84/80/1078898480.db2.gz PIVAYEDYDCDOHY-BXUZGUMPSA-N 1 0 418.313 2.605 20 5 HFBDRO CC(C)[NH+]1CCN(CCCOC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000787571255 1076867476 /nfs/dbraw/zinc/86/74/76/1076867476.db2.gz JULSFNHDGOTVBN-UHFFFAOYSA-N 1 0 418.538 2.771 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000790938051 1077238298 /nfs/dbraw/zinc/23/82/98/1077238298.db2.gz ZWYQQXMWZKXDBG-UHFFFAOYSA-N 1 0 414.484 2.520 20 5 HFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000791130708 1077296915 /nfs/dbraw/zinc/29/69/15/1077296915.db2.gz ABAGJWUOTQBOLP-FQEVSTJZSA-N 1 0 421.856 2.683 20 5 HFBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000791341946 1077379932 /nfs/dbraw/zinc/37/99/32/1077379932.db2.gz YNIKIPNUHMLHLG-UHFFFAOYSA-N 1 0 411.462 2.544 20 5 HFBDRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000791779930 1077550108 /nfs/dbraw/zinc/55/01/08/1077550108.db2.gz XFKPGICFJGVPKO-OAHLLOKOSA-N 1 0 413.902 2.975 20 5 HFBDRO COC(=O)COc1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000789539965 1077633957 /nfs/dbraw/zinc/63/39/57/1077633957.db2.gz ZXSBKMJCAOQFSU-UHFFFAOYSA-N 1 0 400.431 2.630 20 5 HFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792226324 1077751507 /nfs/dbraw/zinc/75/15/07/1077751507.db2.gz PQZAPRSWCDPMDE-HXUWFJFHSA-N 1 0 423.517 2.949 20 5 HFBDRO COc1ccc(OC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)cc1[N+](=O)[O-] ZINC000792589600 1077924639 /nfs/dbraw/zinc/92/46/39/1077924639.db2.gz GRCYZTGIFAKCJJ-UHFFFAOYSA-N 1 0 423.429 2.700 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCOC23CN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])c1 ZINC001170298264 1077931139 /nfs/dbraw/zinc/93/11/39/1077931139.db2.gz HYVCQTVNVXICBE-RDTXWAMCSA-N 1 0 421.494 2.902 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]CCN(C)CCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170312159 1077940171 /nfs/dbraw/zinc/94/01/71/1077940171.db2.gz DBXDHVMNHWBGPD-HNNXBMFYSA-N 1 0 410.515 2.581 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+][C@]2(CCO)CCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170315301 1077941251 /nfs/dbraw/zinc/94/12/51/1077941251.db2.gz WTTBOZXLXKCHGG-VFNWGFHPSA-N 1 0 423.510 2.886 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC001170335684 1077946996 /nfs/dbraw/zinc/94/69/96/1077946996.db2.gz QJKQLFFJXLDHBL-ICSUOEFDSA-N 1 0 417.506 2.636 20 5 HFBDRO COc1cnc(OC2CC[NH+]([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)nc1 ZINC001170354501 1077948723 /nfs/dbraw/zinc/94/87/23/1077948723.db2.gz MIALNNAEVZTUEK-CQSZACIVSA-N 1 0 402.451 2.876 20 5 HFBDRO COC(=O)[C@H]1CCC[N@@H+](C2CCN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)C1 ZINC001170355304 1077948996 /nfs/dbraw/zinc/94/89/96/1077948996.db2.gz ZHVBQNGGUDCIBX-WMZOPIPTSA-N 1 0 419.522 2.884 20 5 HFBDRO COCCN1C(=O)CCC12CC[NH+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC001170344517 1077954162 /nfs/dbraw/zinc/95/41/62/1077954162.db2.gz ZTWMCLOQYRQSRG-MRXNPFEDSA-N 1 0 405.495 2.638 20 5 HFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000790265776 1077990143 /nfs/dbraw/zinc/99/01/43/1077990143.db2.gz GVWSVMPRPXYBHP-UHFFFAOYSA-N 1 0 406.826 2.765 20 5 HFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001130589004 1079568490 /nfs/dbraw/zinc/56/84/90/1079568490.db2.gz CMMODFBVQPJFFX-HBNTYKKESA-N 1 0 417.247 2.753 20 5 HFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000807355667 1080517993 /nfs/dbraw/zinc/51/79/93/1080517993.db2.gz UFCGSOYJWAUKON-HOCLYGCPSA-N 1 0 402.495 2.916 20 5 HFBDRO CN(CCCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000747398574 1080660312 /nfs/dbraw/zinc/66/03/12/1080660312.db2.gz HBNBTSZYWRLZEC-UHFFFAOYSA-N 1 0 405.236 2.613 20 5 HFBDRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000807486543 1080670243 /nfs/dbraw/zinc/67/02/43/1080670243.db2.gz SFMDGHJWQQVPEB-MRXNPFEDSA-N 1 0 408.817 2.745 20 5 HFBDRO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164400053 718843886 /nfs/dbraw/zinc/84/38/86/718843886.db2.gz OLPLNFKTKDQUCW-IBGZPJMESA-N 1 0 419.485 2.816 20 5 HFBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)CC2 ZINC001164684664 719725999 /nfs/dbraw/zinc/72/59/99/719725999.db2.gz JGZHRIYTUNHYAE-UHFFFAOYSA-N 1 0 417.897 2.977 20 5 HFBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3cccc([N+](=O)[O-])c3n1)CCC2 ZINC001164813474 720220898 /nfs/dbraw/zinc/22/08/98/720220898.db2.gz MPLLRDHPTAINJW-UHFFFAOYSA-N 1 0 422.489 2.950 20 5 HFBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164825302 720309348 /nfs/dbraw/zinc/30/93/48/720309348.db2.gz TUEDYCCPPIASNP-CVEARBPZSA-N 1 0 421.929 2.863 20 5 HFBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001164730807 720511027 /nfs/dbraw/zinc/51/10/27/720511027.db2.gz NNBCSJNTIMOCQF-LBPRGKRZSA-N 1 0 401.858 2.586 20 5 HFBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001164729872 720511545 /nfs/dbraw/zinc/51/15/45/720511545.db2.gz KEESGHIMLXEGPA-LLVKDONJSA-N 1 0 400.817 2.583 20 5 HFBDRO COc1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164842964 720535855 /nfs/dbraw/zinc/53/58/55/720535855.db2.gz ZFCOPEXBEFVMBF-RCCFBDPRSA-N 1 0 414.510 2.881 20 5 HFBDRO Cc1c(C)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164748236 720833242 /nfs/dbraw/zinc/83/32/42/720833242.db2.gz SRTPLDLORCBDST-GBESFXJTSA-N 1 0 411.510 2.578 20 5 HFBDRO Cc1c(C)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164748239 720833706 /nfs/dbraw/zinc/83/37/06/720833706.db2.gz SRTPLDLORCBDST-GUDVDZBRSA-N 1 0 411.510 2.578 20 5 HFBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164855903 720877204 /nfs/dbraw/zinc/87/72/04/720877204.db2.gz ICMVFLIZCDUKGN-LIRRHRJNSA-N 1 0 420.897 2.970 20 5 HFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870584 721073867 /nfs/dbraw/zinc/07/38/67/721073867.db2.gz WISJBHLECJVCFO-CVEARBPZSA-N 1 0 403.870 2.826 20 5 HFBDRO CC(C)Oc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164878324 721159459 /nfs/dbraw/zinc/15/94/59/721159459.db2.gz PSRWRTBMNWQGHT-MSOLQXFVSA-N 1 0 413.478 2.652 20 5 HFBDRO Cc1ncc([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906200 721700539 /nfs/dbraw/zinc/70/05/39/721700539.db2.gz MADRKYDBVXDQQX-SFHVURJKSA-N 1 0 404.421 2.826 20 5 HFBDRO COc1ncnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164904371 721704515 /nfs/dbraw/zinc/70/45/15/721704515.db2.gz CKOCJKHBWRZVGO-SFHVURJKSA-N 1 0 420.420 2.526 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978387 722101031 /nfs/dbraw/zinc/10/10/31/722101031.db2.gz GTGYGWPLYDCWDK-YJBOKZPZSA-N 1 0 403.870 2.766 20 5 HFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164980069 722101266 /nfs/dbraw/zinc/10/12/66/722101266.db2.gz JESYCAALRSHABX-CRAIPNDOSA-N 1 0 403.870 2.766 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978385 722101302 /nfs/dbraw/zinc/10/13/02/722101302.db2.gz GTGYGWPLYDCWDK-QAPCUYQASA-N 1 0 403.870 2.766 20 5 HFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164973173 722112117 /nfs/dbraw/zinc/11/21/17/722112117.db2.gz GTEBHMPFDURTHC-DYESRHJHSA-N 1 0 420.473 2.660 20 5 HFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000793002032 1078045436 /nfs/dbraw/zinc/04/54/36/1078045436.db2.gz CPYMVCKRXRWFPA-WMLDXEAASA-N 1 0 402.495 2.774 20 5 HFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000793045726 1078055001 /nfs/dbraw/zinc/05/50/01/1078055001.db2.gz CBXPZNHWKXKSKK-PBHICJAKSA-N 1 0 402.495 2.774 20 5 HFBDRO COC(=O)[C@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001170141638 1078080946 /nfs/dbraw/zinc/08/09/46/1078080946.db2.gz NIWCGVOVKKHLRQ-SFHVURJKSA-N 1 0 417.462 2.706 20 5 HFBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000793247463 1078109530 /nfs/dbraw/zinc/10/95/30/1078109530.db2.gz OUMHKCNDHMZAQB-SFHVURJKSA-N 1 0 420.901 2.559 20 5 HFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000790837690 1078141084 /nfs/dbraw/zinc/14/10/84/1078141084.db2.gz GFYTTYDNRUBMAK-UHFFFAOYSA-N 1 0 414.484 2.520 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790825739 1078158094 /nfs/dbraw/zinc/15/80/94/1078158094.db2.gz AHNYDAWGAXVAJA-NWDGAFQWSA-N 1 0 414.484 2.519 20 5 HFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000790835181 1078161572 /nfs/dbraw/zinc/16/15/72/1078161572.db2.gz WVGCRVQWZPIUPA-UHFFFAOYSA-N 1 0 414.484 2.663 20 5 HFBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001129564763 1078558377 /nfs/dbraw/zinc/55/83/77/1078558377.db2.gz YCTGZQGNCYJEIH-VQTJNVASSA-N 1 0 423.448 2.715 20 5 HFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000805111322 1078896911 /nfs/dbraw/zinc/89/69/11/1078896911.db2.gz ULNVPXVDUHZKKG-SMDDNHRTSA-N 1 0 418.313 2.605 20 5 HFBDRO COc1nc(C)c(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)cc1[N+](=O)[O-] ZINC001170493160 1079343751 /nfs/dbraw/zinc/34/37/51/1079343751.db2.gz HHUVHAJKCIJIEX-IUDNXUCKSA-N 1 0 413.478 2.678 20 5 HFBDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc([N+](=O)[O-])c4nccn4c3)cc2)CC1 ZINC001170492832 1079361092 /nfs/dbraw/zinc/36/10/92/1079361092.db2.gz DIZUJHDVEHTYQS-QQFBHYJXSA-N 1 0 408.462 2.614 20 5 HFBDRO COc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OCC(=O)N(C)C ZINC000788651802 1077226430 /nfs/dbraw/zinc/22/64/30/1077226430.db2.gz MIYKANIHNVSNGA-CYBMUJFWSA-N 1 0 402.451 2.503 20 5 HFBDRO C[NH+](C)CCOc1cc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])ccn1 ZINC000790909004 1077245086 /nfs/dbraw/zinc/24/50/86/1077245086.db2.gz SJACZNSRHYNJIF-UHFFFAOYSA-N 1 0 410.833 2.582 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)cc1[N+](=O)[O-] ZINC000788963521 1077364705 /nfs/dbraw/zinc/36/47/05/1077364705.db2.gz CJPLAFGYFLCSQJ-FXUPRZHBSA-N 1 0 408.451 2.558 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000788965192 1077365248 /nfs/dbraw/zinc/36/52/48/1077365248.db2.gz KPKREBFHZLQZSD-IBGZPJMESA-N 1 0 408.838 2.797 20 5 HFBDRO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000789362009 1077537990 /nfs/dbraw/zinc/53/79/90/1077537990.db2.gz FRMHDKHPPIRAEV-BEFAXECRSA-N 1 0 415.446 2.984 20 5 HFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000746849305 1077759575 /nfs/dbraw/zinc/75/95/75/1077759575.db2.gz VDJCXNSIAVQVBP-ZIFCJYIRSA-N 1 0 416.522 2.909 20 5 HFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])n1 ZINC001170270683 1077924462 /nfs/dbraw/zinc/92/44/62/1077924462.db2.gz NSKLMIGHECOVBW-RULNRJAQSA-N 1 0 405.908 2.677 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170300301 1077931724 /nfs/dbraw/zinc/93/17/24/1077931724.db2.gz ZAGUNPOGOAGQAH-ZBFHGGJFSA-N 1 0 409.483 2.760 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c([N+](=O)[O-])c1 ZINC001170300423 1077931800 /nfs/dbraw/zinc/93/18/00/1077931800.db2.gz ZXJLJJRUFPWBFS-PBHICJAKSA-N 1 0 409.483 2.760 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c([N+](=O)[O-])c1 ZINC001170304473 1077932892 /nfs/dbraw/zinc/93/28/92/1077932892.db2.gz CGFUTEFFWUVTGA-URLQWDBASA-N 1 0 423.510 2.742 20 5 HFBDRO COCCN1CCOC[C@]2(CCC[N@@H+]([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001170336537 1077947541 /nfs/dbraw/zinc/94/75/41/1077947541.db2.gz YUPNWJSATYUELM-XMSQKQJNSA-N 1 0 421.538 2.595 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170339831 1077952590 /nfs/dbraw/zinc/95/25/90/1077952590.db2.gz JXCMXPDPRWPBBB-SKTNGFFKSA-N 1 0 402.451 2.558 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCC23CCN(CC(=O)N(C)C)CC3)c([N+](=O)[O-])c1 ZINC001170341301 1077953130 /nfs/dbraw/zinc/95/31/30/1077953130.db2.gz IMKZVYSCTRRXPM-QGZVFWFLSA-N 1 0 418.538 2.553 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001170341571 1077953453 /nfs/dbraw/zinc/95/34/53/1077953453.db2.gz RKTMRMRKNQRPHV-CECAUBDESA-N 1 0 419.522 2.645 20 5 HFBDRO CCN1CC2(CC[NH+]([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)[C@@H](COC)C1=O ZINC001170343972 1077953906 /nfs/dbraw/zinc/95/39/06/1077953906.db2.gz VZCNCFFSXVJSCA-LPHOPBHVSA-N 1 0 419.522 2.741 20 5 HFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000806724426 1079948161 /nfs/dbraw/zinc/94/81/61/1079948161.db2.gz VMGBJXBGVAZIBO-CQSZACIVSA-N 1 0 413.316 2.783 20 5 HFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000578053277 1126098010 /nfs/dbraw/zinc/09/80/10/1126098010.db2.gz JYEFLGBWEYURIV-OAHLLOKOSA-N 1 0 412.227 2.893 20 5 HFBDRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)c2c1CC[NH2+]C2 ZINC001164685037 719605054 /nfs/dbraw/zinc/60/50/54/719605054.db2.gz QGGSODQYDADOAF-UHFFFAOYSA-N 1 0 414.844 2.923 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001164820066 720291996 /nfs/dbraw/zinc/29/19/96/720291996.db2.gz GRBSXGPGLBSXAS-CVEARBPZSA-N 1 0 407.902 2.555 20 5 HFBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001164822638 720292259 /nfs/dbraw/zinc/29/22/59/720292259.db2.gz NURLFQNSCNLNGJ-IAGOWNOFSA-N 1 0 407.902 2.555 20 5 HFBDRO COc1cc2ncnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2cc1[N+](=O)[O-] ZINC001164727714 720387298 /nfs/dbraw/zinc/38/72/98/720387298.db2.gz RFDZRIVOISBCSH-QZTJIDSGSA-N 1 0 406.446 2.795 20 5 HFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164748709 720810281 /nfs/dbraw/zinc/81/02/81/720810281.db2.gz RBPAACHPIDCUEE-USXIJHARSA-N 1 0 417.901 2.614 20 5 HFBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001165011160 721736605 /nfs/dbraw/zinc/73/66/05/721736605.db2.gz OAHGYWHMOTWUJO-UHFFFAOYSA-N 1 0 416.309 2.820 20 5 HFBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958044 722053882 /nfs/dbraw/zinc/05/38/82/722053882.db2.gz AZFPRESJVYQMMA-UHFFFAOYSA-N 1 0 401.442 2.643 20 5 HFBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164980076 722100992 /nfs/dbraw/zinc/10/09/92/722100992.db2.gz JESYCAALRSHABX-YJBOKZPZSA-N 1 0 403.870 2.766 20 5 HFBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984753 722101114 /nfs/dbraw/zinc/10/11/14/722101114.db2.gz UTKYKHLNOPGHTC-WBVHZDCISA-N 1 0 403.870 2.766 20 5 HFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164973913 722127441 /nfs/dbraw/zinc/12/74/41/722127441.db2.gz HZDNBIKUHIXZCS-APWZRJJASA-N 1 0 408.462 2.593 20 5 HFBDRO CCOc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164979736 722132081 /nfs/dbraw/zinc/13/20/81/722132081.db2.gz LXFVJTKBRSUZIF-HKUYNNGSSA-N 1 0 413.478 2.511 20 5 HFBDRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000793047060 1078055835 /nfs/dbraw/zinc/05/58/35/1078055835.db2.gz SDBPSWFRBVZBML-UHFFFAOYSA-N 1 0 402.495 2.918 20 5 HFBDRO CN1CCC([NH+]2CCC(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000790601631 1078064911 /nfs/dbraw/zinc/06/49/11/1078064911.db2.gz PCLPEKAGHBPIRA-UHFFFAOYSA-N 1 0 412.893 2.605 20 5 HFBDRO COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000793289720 1078119196 /nfs/dbraw/zinc/11/91/96/1078119196.db2.gz SNLCRIOQUYEQJL-UHFFFAOYSA-N 1 0 422.489 2.822 20 5 HFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000790851070 1078149156 /nfs/dbraw/zinc/14/91/56/1078149156.db2.gz BNVCBEVRARVNHK-RISCZKNCSA-N 1 0 414.484 2.613 20 5 HFBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000790826169 1078157788 /nfs/dbraw/zinc/15/77/88/1078157788.db2.gz IMQLXMSOEJAKKW-RYUDHWBXSA-N 1 0 414.484 2.661 20 5 HFBDRO CCOc1cnc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)c([N+](=O)[O-])c1 ZINC001170487204 1079223102 /nfs/dbraw/zinc/22/31/02/1079223102.db2.gz SKSWJLMKSBDIEX-QQFBHYJXSA-N 1 0 413.478 2.760 20 5 HFBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787307495 1076755052 /nfs/dbraw/zinc/75/50/52/1076755052.db2.gz PQQHPKOVLWZRGD-MOPGFXCFSA-N 1 0 406.552 2.897 20 5 HFBDRO [NH3+]CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccc2cnccc21 ZINC001170073253 1076816925 /nfs/dbraw/zinc/81/69/25/1076816925.db2.gz GNCBZMVOEZFIKW-UHFFFAOYSA-N 1 0 406.851 2.950 20 5 HFBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000788078734 1077053814 /nfs/dbraw/zinc/05/38/14/1077053814.db2.gz WXEQVKPNXZIRJI-UHFFFAOYSA-N 1 0 410.540 2.692 20 5 HFBDRO CCOC(=O)[C@H]1[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000788796106 1077290288 /nfs/dbraw/zinc/29/02/88/1077290288.db2.gz DSIDJELPLOXPNH-DOTOQJQBSA-N 1 0 407.467 2.668 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000788965193 1077365324 /nfs/dbraw/zinc/36/53/24/1077365324.db2.gz KPKREBFHZLQZSD-LJQANCHMSA-N 1 0 408.838 2.797 20 5 HFBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cc2)C[C@H](C)O1 ZINC000791326481 1077374994 /nfs/dbraw/zinc/37/49/94/1077374994.db2.gz ZAJWGXVPJOSYFG-OKILXGFUSA-N 1 0 416.453 2.855 20 5 HFBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1 ZINC000791390208 1077396953 /nfs/dbraw/zinc/39/69/53/1077396953.db2.gz CSPSJDOKGHQSDX-GOSISDBHSA-N 1 0 402.426 2.892 20 5 HFBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000791982621 1077621693 /nfs/dbraw/zinc/62/16/93/1077621693.db2.gz XYLVINWELSAOHT-HKUYNNGSSA-N 1 0 418.457 2.932 20 5 HFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792383469 1077847768 /nfs/dbraw/zinc/84/77/68/1077847768.db2.gz AGXRTXJFGRMNEK-UHFFFAOYSA-N 1 0 416.409 2.970 20 5 HFBDRO Cc1nc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])c([N+](=O)[O-])c(C)c1Br ZINC001170281043 1077936610 /nfs/dbraw/zinc/93/66/10/1077936610.db2.gz BJSDPQQWFWAGGI-UEKVPHQBSA-N 1 0 403.277 2.506 20 5 HFBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001170281072 1077936808 /nfs/dbraw/zinc/93/68/08/1077936808.db2.gz URNRFWQCOHJHOI-KGLIPLIRSA-N 1 0 401.385 2.836 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170319626 1077941850 /nfs/dbraw/zinc/94/18/50/1077941850.db2.gz XJHLVXFDMOZXSX-QGPMSJSTSA-N 1 0 423.510 2.742 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc(OC3CCOCC3)ncn2)c([N+](=O)[O-])c1 ZINC001170322896 1077943332 /nfs/dbraw/zinc/94/33/32/1077943332.db2.gz IGROXDXCZXXJLF-AWEZNQCLSA-N 1 0 402.451 2.672 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(Oc3nccc(OC)n3)CC2)c([N+](=O)[O-])c1 ZINC001170354323 1077948769 /nfs/dbraw/zinc/94/87/69/1077948769.db2.gz ITKVSRXIISYCTQ-CQSZACIVSA-N 1 0 402.451 2.876 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c([N+](=O)[O-])c1 ZINC001170355473 1077948880 /nfs/dbraw/zinc/94/88/80/1077948880.db2.gz GHNDULUJFFDWAC-KSSFIOAISA-N 1 0 421.494 2.760 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341528 1077953411 /nfs/dbraw/zinc/95/34/11/1077953411.db2.gz JXCMXPDPRWPBBB-AHAHFWPDSA-N 1 0 402.451 2.558 20 5 HFBDRO O=C(C[N@@H+]1CCCc2ccccc2CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001170342499 1077953648 /nfs/dbraw/zinc/95/36/48/1077953648.db2.gz OGICFMXJJFCETM-UHFFFAOYSA-N 1 0 408.502 2.734 20 5 HFBDRO COc1ccc(C[C@H](C)[NH+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170343514 1077953949 /nfs/dbraw/zinc/95/39/49/1077953949.db2.gz PMLUHZWGZVFXQN-SNRMKQJTSA-N 1 0 410.474 2.633 20 5 HFBDRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000792976981 1078031010 /nfs/dbraw/zinc/03/10/10/1078031010.db2.gz HACFNJAMEZBKAL-MRXNPFEDSA-N 1 0 409.483 2.714 20 5 HFBDRO CC[N@H+](CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001130787012 1080097043 /nfs/dbraw/zinc/09/70/43/1080097043.db2.gz UWECLWJLCHZMSO-UHFFFAOYSA-N 1 0 400.483 2.950 20 5 HFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000747375799 1080361359 /nfs/dbraw/zinc/36/13/59/1080361359.db2.gz QULCRKZENMOARO-CZAAIQMYSA-N 1 0 416.522 2.909 20 5 HFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000807452972 1080632794 /nfs/dbraw/zinc/63/27/94/1080632794.db2.gz BYZIVBFGTDCGDW-WMLDXEAASA-N 1 0 402.495 2.916 20 5 HFBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000807544347 1080759811 /nfs/dbraw/zinc/75/98/11/1080759811.db2.gz QARWMCHJRFGQAE-RHSMWYFYSA-N 1 0 414.437 2.760 20 5 HFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c1 ZINC001560615167 1126213643 /nfs/dbraw/zinc/21/36/43/1126213643.db2.gz IRYARJIZIXEBMO-HZPDHXFCSA-N 1 0 410.211 2.947 20 5 HFBDRO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164398992 718834310 /nfs/dbraw/zinc/83/43/10/718834310.db2.gz NPYNOBBXYPOGPA-LBPRGKRZSA-N 1 0 407.833 2.668 20 5 HFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cc([N+](=O)[O-])ccc43)CC2)CC1 ZINC001164613803 719025350 /nfs/dbraw/zinc/02/53/50/719025350.db2.gz FHERPZWNWQSBFX-UHFFFAOYSA-N 1 0 413.478 2.782 20 5 HFBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164684515 719732409 /nfs/dbraw/zinc/73/24/09/719732409.db2.gz HOCNSNPQUINTST-UHFFFAOYSA-N 1 0 424.505 2.541 20 5 HFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2 ZINC001164812685 720092332 /nfs/dbraw/zinc/09/23/32/720092332.db2.gz RFQCOLUGYQJOSR-PXAZEXFGSA-N 1 0 416.309 2.876 20 5 HFBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C1 ZINC001164735288 720534551 /nfs/dbraw/zinc/53/45/51/720534551.db2.gz NYIKHEOWUMUQDW-LBPRGKRZSA-N 1 0 401.858 2.586 20 5 HFBDRO CCOc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164840652 720577668 /nfs/dbraw/zinc/57/76/68/720577668.db2.gz QEYLLVYLWABHPA-FGTMMUONSA-N 1 0 414.510 2.963 20 5 HFBDRO COc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164842012 720658052 /nfs/dbraw/zinc/65/80/52/720658052.db2.gz RPJZOJVRPACSFK-QGZVFWFLSA-N 1 0 413.478 2.653 20 5 HFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737961 720816589 /nfs/dbraw/zinc/81/65/89/720816589.db2.gz CSBYLUHSKSXBIA-BZUAXINKSA-N 1 0 417.901 2.614 20 5 HFBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)CC[C@H]2C1 ZINC001164856887 720862043 /nfs/dbraw/zinc/86/20/43/720862043.db2.gz PUHPCDWVCFPEAN-KBXCAEBGSA-N 1 0 420.897 2.970 20 5 HFBDRO Cc1cc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164866834 721073049 /nfs/dbraw/zinc/07/30/49/721073049.db2.gz GFZPKOVLPWBYJQ-CVEARBPZSA-N 1 0 403.870 2.826 20 5 HFBDRO Cc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164887701 721399894 /nfs/dbraw/zinc/39/98/94/721399894.db2.gz MLRMWIDGCQIVNV-UZLBHIALSA-N 1 0 423.945 2.717 20 5 HFBDRO COc1cc(C)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164903356 721530346 /nfs/dbraw/zinc/53/03/46/721530346.db2.gz CDJWCKMTSKFNEE-WBVHZDCISA-N 1 0 402.426 2.788 20 5 HFBDRO Nc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164906803 721711865 /nfs/dbraw/zinc/71/18/65/721711865.db2.gz OKVMWTPUHVFQIA-SFHVURJKSA-N 1 0 404.421 2.705 20 5 HFBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001165022750 721842166 /nfs/dbraw/zinc/84/21/66/721842166.db2.gz TXIXVGJTOMUCNT-UHFFFAOYSA-N 1 0 401.467 2.690 20 5 HFBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CCC[C@@H]([NH+](C)C)C3)c2c1C ZINC001165035013 721897946 /nfs/dbraw/zinc/89/79/46/721897946.db2.gz JYXKZFVLEBHCCZ-CQSZACIVSA-N 1 0 415.523 2.992 20 5 HFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980618 722105065 /nfs/dbraw/zinc/10/50/65/722105065.db2.gz JRHBYUBGSOIGGS-YJBOKZPZSA-N 1 0 403.870 2.766 20 5 HFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971415 722112663 /nfs/dbraw/zinc/11/26/63/722112663.db2.gz CKBCMWJAHCIAJA-LAUBAEHRSA-N 1 0 420.473 2.660 20 5 HFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164973917 722127614 /nfs/dbraw/zinc/12/76/14/722127614.db2.gz HZDNBIKUHIXZCS-QFBILLFUSA-N 1 0 408.462 2.593 20 5 HFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793055721 1078057602 /nfs/dbraw/zinc/05/76/02/1078057602.db2.gz JLEKSDCCEWEXOA-CVEARBPZSA-N 1 0 402.495 2.916 20 5 HFBDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000794051430 1078366190 /nfs/dbraw/zinc/36/61/90/1078366190.db2.gz PUXHZUNXTDLQMW-HNNXBMFYSA-N 1 0 420.447 2.575 20 5 HFBDRO O=Cc1ccc(OCC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000804534046 1078571221 /nfs/dbraw/zinc/57/12/21/1078571221.db2.gz LTMQCZJDIQFIMP-QHCPKHFHSA-N 1 0 423.469 2.911 20 5 HFBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804589257 1078623477 /nfs/dbraw/zinc/62/34/77/1078623477.db2.gz KFXOPAAOUVBYBC-UHFFFAOYSA-N 1 0 424.505 2.923 20 5 HFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804852814 1078721479 /nfs/dbraw/zinc/72/14/79/1078721479.db2.gz OEGYXJKZQSTIRZ-WCQYABFASA-N 1 0 407.414 2.951 20 5 HFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000805113786 1078898542 /nfs/dbraw/zinc/89/85/42/1078898542.db2.gz PIVAYEDYDCDOHY-RISCZKNCSA-N 1 0 418.313 2.605 20 5 HFBDRO [NH3+]CCN(c1ccc2cnccc2c1[N+](=O)[O-])S(=O)(=O)c1cccc2cnccc21 ZINC001170073298 1076818224 /nfs/dbraw/zinc/81/82/24/1076818224.db2.gz IPNPSPLFLQZTAW-UHFFFAOYSA-N 1 0 423.454 2.845 20 5 HFBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)c1 ZINC000788665129 1077259496 /nfs/dbraw/zinc/25/94/96/1077259496.db2.gz MVBKNGSDUHLEPX-KPZWWZAWSA-N 1 0 400.435 2.650 20 5 HFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788813488 1077321305 /nfs/dbraw/zinc/32/13/05/1077321305.db2.gz IBGUYEWBBFAOSE-JTQLQIEISA-N 1 0 416.862 2.599 20 5 HFBDRO CN(C)c1cc(F)c(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000791204140 1077342622 /nfs/dbraw/zinc/34/26/22/1077342622.db2.gz DKRSOSDIPFDTFE-UHFFFAOYSA-N 1 0 404.442 2.670 20 5 HFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000791214326 1077346775 /nfs/dbraw/zinc/34/67/75/1077346775.db2.gz GOPLVYHFXOFCMM-CQSZACIVSA-N 1 0 400.454 2.977 20 5 HFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000788963448 1077364506 /nfs/dbraw/zinc/36/45/06/1077364506.db2.gz CADQBRLUAMSUKS-MRXNPFEDSA-N 1 0 412.801 2.762 20 5 HFBDRO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000789362012 1077537866 /nfs/dbraw/zinc/53/78/66/1077537866.db2.gz FRMHDKHPPIRAEV-HNAYVOBHSA-N 1 0 415.446 2.984 20 5 HFBDRO Cc1c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000791811255 1077563512 /nfs/dbraw/zinc/56/35/12/1077563512.db2.gz LVSUEXMTPYNCAY-UHFFFAOYSA-N 1 0 408.455 2.693 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2Cn3nnc(-c4ccccc4)c3CO2)c([N+](=O)[O-])c1 ZINC001170296208 1077930145 /nfs/dbraw/zinc/93/01/45/1077930145.db2.gz FKOSICRSRNUBLL-KXBFYZLASA-N 1 0 423.473 2.982 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccnc(OCC3CCOCC3)n2)c([N+](=O)[O-])c1 ZINC001170322409 1077943342 /nfs/dbraw/zinc/94/33/42/1077943342.db2.gz GCNPSEHSAKRAJU-OAHLLOKOSA-N 1 0 416.478 2.920 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170309250 1077948301 /nfs/dbraw/zinc/94/83/01/1077948301.db2.gz PVCWNMJBIKFSSM-YCRPNKLZSA-N 1 0 423.510 2.886 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](Oc3nc(C)cc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355626 1077949221 /nfs/dbraw/zinc/94/92/21/1077949221.db2.gz MXIRVWBXPVRFAK-PBHICJAKSA-N 1 0 402.451 2.795 20 5 HFBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nnc(-c2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001170339973 1077952797 /nfs/dbraw/zinc/95/27/97/1077952797.db2.gz PITQYBAAMSBFQM-UHFFFAOYSA-N 1 0 408.340 2.772 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)NC(C)C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341202 1077953187 /nfs/dbraw/zinc/95/31/87/1077953187.db2.gz OAGYOBKUJIRDKU-MMTROXRISA-N 1 0 419.522 2.644 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](OCC(=O)NC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351379 1077956148 /nfs/dbraw/zinc/95/61/48/1077956148.db2.gz FPUFKAUCOCSYML-QAPCUYQASA-N 1 0 407.511 2.930 20 5 HFBDRO Cc1c(C(=O)NCc2ccccc2OCC[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000746892238 1077995698 /nfs/dbraw/zinc/99/56/98/1077995698.db2.gz OFZLRQPHKUWXPR-UHFFFAOYSA-N 1 0 402.407 2.682 20 5 HFBDRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC001130842785 1080276607 /nfs/dbraw/zinc/27/66/07/1080276607.db2.gz ISVQIEHALQQGRM-SFHVURJKSA-N 1 0 406.446 2.699 20 5 HFBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F)c1ccco1 ZINC000807311008 1080504525 /nfs/dbraw/zinc/50/45/25/1080504525.db2.gz XFELXELWBHGPFP-SMDDNHRTSA-N 1 0 406.414 2.819 20 5 HFBDRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000807486733 1080670238 /nfs/dbraw/zinc/67/02/38/1080670238.db2.gz KWYWDNPOLAWIAN-OAHLLOKOSA-N 1 0 408.817 2.745 20 5 HFBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@H]4C3)cnc2Cl)c1 ZINC001164399672 718844438 /nfs/dbraw/zinc/84/44/38/718844438.db2.gz DIMPAFQXVYPCIB-INIZCTEOSA-N 1 0 423.851 2.949 20 5 HFBDRO COc1ncnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1[N+](=O)[O-] ZINC001164692071 719808585 /nfs/dbraw/zinc/80/85/85/719808585.db2.gz FOXLULZWUGJLFN-UHFFFAOYSA-N 1 0 404.496 2.793 20 5 HFBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])c(C)n1)CC2 ZINC001164710381 720152034 /nfs/dbraw/zinc/15/20/34/720152034.db2.gz AFIPUTLVAHACIB-SFHVURJKSA-N 1 0 412.494 2.596 20 5 HFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)C2 ZINC001164812994 720180000 /nfs/dbraw/zinc/18/00/00/720180000.db2.gz BHWGQXHRCSAEMM-LAUBAEHRSA-N 1 0 404.511 2.962 20 5 HFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164839092 720518828 /nfs/dbraw/zinc/51/88/28/720518828.db2.gz SRDIZPVLGVSCBQ-BZUAXINKSA-N 1 0 419.917 2.921 20 5 HFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164863575 720981143 /nfs/dbraw/zinc/98/11/43/720981143.db2.gz WSKYYNYDAWAFGU-AWEZNQCLSA-N 1 0 416.482 2.784 20 5 HFBDRO CC(C)Oc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164878330 721159799 /nfs/dbraw/zinc/15/97/99/721159799.db2.gz PSRWRTBMNWQGHT-ZWKOTPCHSA-N 1 0 413.478 2.652 20 5 HFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891913 721402397 /nfs/dbraw/zinc/40/23/97/721402397.db2.gz WNTWBZGXAPWUPM-OXJNMPFZSA-N 1 0 423.945 2.717 20 5 HFBDRO COc1cc(C)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164903354 721530389 /nfs/dbraw/zinc/53/03/89/721530389.db2.gz CDJWCKMTSKFNEE-NVXWUHKLSA-N 1 0 402.426 2.788 20 5 HFBDRO CCOc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164902599 721545793 /nfs/dbraw/zinc/54/57/93/721545793.db2.gz AKZAZHZWEUYWKD-DOTOQJQBSA-N 1 0 402.426 2.870 20 5 HFBDRO CCc1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164935521 721883273 /nfs/dbraw/zinc/88/32/73/721883273.db2.gz XIFLCKJBSWRYNK-PMACEKPBSA-N 1 0 410.522 2.829 20 5 HFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164973938 722152795 /nfs/dbraw/zinc/15/27/95/722152795.db2.gz NOOVZROTYPFFQQ-FXAWDEMLSA-N 1 0 420.473 2.660 20 5 HFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000793045729 1078054924 /nfs/dbraw/zinc/05/49/24/1078054924.db2.gz CBXPZNHWKXKSKK-RHSMWYFYSA-N 1 0 402.495 2.774 20 5 HFBDRO O=C(NCCC[NH+]1CCCC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790612038 1078075536 /nfs/dbraw/zinc/07/55/36/1078075536.db2.gz ZYZWETMIDORYPT-UHFFFAOYSA-N 1 0 411.300 2.911 20 5 HFBDRO CC[N@H+](CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000790712592 1078104875 /nfs/dbraw/zinc/10/48/75/1078104875.db2.gz SAVLZWSLNIVNAT-UHFFFAOYSA-N 1 0 411.300 2.909 20 5 HFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170435599 1078213806 /nfs/dbraw/zinc/21/38/06/1078213806.db2.gz RDAJYTCYUIZRAV-BEFAXECRSA-N 1 0 413.478 2.552 20 5 HFBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3c([N+](=O)[O-])cccc3[N+](=O)[O-])c2)C1 ZINC000804442138 1078506482 /nfs/dbraw/zinc/50/64/82/1078506482.db2.gz OAZZETYQGJXOMJ-INIZCTEOSA-N 1 0 413.434 2.812 20 5 HFBDRO Cc1cc(C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000804446566 1078513265 /nfs/dbraw/zinc/51/32/65/1078513265.db2.gz KLJSBYMCBOMWGV-LJQANCHMSA-N 1 0 423.517 2.518 20 5 HFBDRO Cc1ccc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1Br ZINC000804567793 1078604422 /nfs/dbraw/zinc/60/44/22/1078604422.db2.gz YMEUDPNLACLOSX-CQSZACIVSA-N 1 0 411.300 2.584 20 5 HFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000804868753 1078692194 /nfs/dbraw/zinc/69/21/94/1078692194.db2.gz CZKFVOQFSMWAHS-LJQANCHMSA-N 1 0 400.435 2.661 20 5 HFBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)c1 ZINC000788665131 1077259476 /nfs/dbraw/zinc/25/94/76/1077259476.db2.gz MVBKNGSDUHLEPX-KZULUSFZSA-N 1 0 400.435 2.650 20 5 HFBDRO CCOC(=O)[C@@H]1[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000788796110 1077290313 /nfs/dbraw/zinc/29/03/13/1077290313.db2.gz DSIDJELPLOXPNH-RDJZCZTQSA-N 1 0 407.467 2.668 20 5 HFBDRO CCOC(=O)[C@@H]1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCN1C(=O)OC(C)(C)C ZINC000788778642 1077299015 /nfs/dbraw/zinc/29/90/15/1077299015.db2.gz TXAQXZIXIRBSRG-RDJZCZTQSA-N 1 0 407.467 2.934 20 5 HFBDRO C[N@H+](CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@@H]1CCSC1 ZINC000791243761 1077357025 /nfs/dbraw/zinc/35/70/25/1077357025.db2.gz DUKDCCUGPUTJFO-LLVKDONJSA-N 1 0 414.325 2.679 20 5 HFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000791828921 1077576940 /nfs/dbraw/zinc/57/69/40/1077576940.db2.gz RATXRZXLHCZQKM-IBGZPJMESA-N 1 0 424.501 2.683 20 5 HFBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792578955 1077915522 /nfs/dbraw/zinc/91/55/22/1077915522.db2.gz RPSQUCMUEGFZFE-IYBDPMFKSA-N 1 0 409.471 2.804 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3COC[C@H]23)c([N+](=O)[O-])c1 ZINC001170298132 1077931120 /nfs/dbraw/zinc/93/11/20/1077931120.db2.gz FZUPFJBKJIQEBP-VVHMCBODSA-N 1 0 421.494 2.758 20 5 HFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@@H]32)c([N+](=O)[O-])c1 ZINC001170297432 1077931161 /nfs/dbraw/zinc/93/11/61/1077931161.db2.gz OGGWFUQSMGWWLX-CKNFYHOISA-N 1 0 421.494 2.901 20 5 HFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170309249 1077948292 /nfs/dbraw/zinc/94/82/92/1077948292.db2.gz PVCWNMJBIKFSSM-VFNWGFHPSA-N 1 0 423.510 2.886 20 5 HFBDRO CCOC(=O)CC[NH+](CCC(=O)OCC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170354386 1077948778 /nfs/dbraw/zinc/94/87/78/1077948778.db2.gz KMQKSUJMYBWNOT-HNNXBMFYSA-N 1 0 410.467 2.743 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c([N+](=O)[O-])c1 ZINC001170340861 1077953174 /nfs/dbraw/zinc/95/31/74/1077953174.db2.gz GWVRXNAWBHWSRI-XWIAVFTESA-N 1 0 416.503 2.980 20 5 HFBDRO COCCN1CC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2cccnc21 ZINC001170341522 1077953421 /nfs/dbraw/zinc/95/34/21/1077953421.db2.gz JUQPCUOEQXXISN-INIZCTEOSA-N 1 0 400.479 2.898 20 5 HFBDRO COCCN1CC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2cccnc21 ZINC001170341523 1077953468 /nfs/dbraw/zinc/95/34/68/1077953468.db2.gz JUQPCUOEQXXISN-MRXNPFEDSA-N 1 0 400.479 2.898 20 5 HFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3O[C@H](C(=O)N4CCCC4)CC[C@H]32)c([N+](=O)[O-])c1 ZINC001170341952 1077953628 /nfs/dbraw/zinc/95/36/28/1077953628.db2.gz KYRGAWHRWCBLJJ-SKRQURTPSA-N 1 0 417.506 2.779 20 5 HFBDRO CCN1CC2(CC[NH+]([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)[C@H](COC)C1=O ZINC001170343973 1077953858 /nfs/dbraw/zinc/95/38/58/1077953858.db2.gz VZCNCFFSXVJSCA-QFBILLFUSA-N 1 0 419.522 2.741 20 5 HFBDRO COc1ccc(C[C@@H](C)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001170345418 1077954353 /nfs/dbraw/zinc/95/43/53/1077954353.db2.gz KBLURZKFILEQGI-OAHLLOKOSA-N 1 0 410.474 2.864 20 5 HFBDRO COc1ccc(C[C@H](C)N(c2cc(OC)ncn2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001170351157 1077956091 /nfs/dbraw/zinc/95/60/91/1077956091.db2.gz AEDVEUWUAPYUQY-AWEZNQCLSA-N 1 0 401.467 2.592 20 5 HFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](OCC(=O)NC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351377 1077956124 /nfs/dbraw/zinc/95/61/24/1077956124.db2.gz FPUFKAUCOCSYML-CRAIPNDOSA-N 1 0 407.511 2.930 20 5 HFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000790271533 1077992239 /nfs/dbraw/zinc/99/22/39/1077992239.db2.gz CBPZQGQVTPJHDJ-UHFFFAOYSA-N 1 0 424.929 2.889 20 5 HFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1F ZINC000790440437 1078032370 /nfs/dbraw/zinc/03/23/70/1078032370.db2.gz YWBADTNWMAXFPD-LJQANCHMSA-N 1 0 400.454 2.761 20 5 HFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001130589003 1079568464 /nfs/dbraw/zinc/56/84/64/1079568464.db2.gz CMMODFBVQPJFFX-GMTAPVOTSA-N 1 0 417.247 2.753 20 5 HFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC001130589410 1079569653 /nfs/dbraw/zinc/56/96/53/1079569653.db2.gz IURYXIOEHOUBFC-GMTAPVOTSA-N 1 0 417.247 2.753 20 5 HFBDRO