smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000117436141 728578419 /nfs/dbraw/zinc/57/84/19/728578419.db2.gz LNUKCFQBYYUVKM-ZDUSSCGKSA-N 1 1 370.837 2.823 10 5 FFBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000588495423 966102594 /nfs/dbraw/zinc/10/25/94/966102594.db2.gz UVTJRMKVYXVCSF-NXVVXOECSA-N 1 1 374.485 2.530 10 5 FFBEMO CC(C)[NH+]1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000035208265 506376412 /nfs/dbraw/zinc/37/64/12/506376412.db2.gz VZKSNTYBSKYEOQ-UHFFFAOYSA-N 1 1 356.220 2.524 10 5 FFBEMO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000116246323 508491531 /nfs/dbraw/zinc/49/15/31/508491531.db2.gz VJTXZCKLPOVSLQ-YJBOKZPZSA-N 1 1 368.437 2.939 10 5 FFBEMO COc1cc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])cc1OC ZINC000123031423 508624698 /nfs/dbraw/zinc/62/46/98/508624698.db2.gz MOTGMSGCBNMADZ-OAHLLOKOSA-N 1 1 360.414 2.954 10 5 FFBEMO COc1cc(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])cc1OC ZINC000123031423 508624702 /nfs/dbraw/zinc/62/47/02/508624702.db2.gz MOTGMSGCBNMADZ-OAHLLOKOSA-N 1 1 360.414 2.954 10 5 FFBEMO COc1cc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])cc1OC ZINC000123031666 508625141 /nfs/dbraw/zinc/62/51/41/508625141.db2.gz MOTGMSGCBNMADZ-HNNXBMFYSA-N 1 1 360.414 2.954 10 5 FFBEMO COc1cc(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])cc1OC ZINC000123031666 508625145 /nfs/dbraw/zinc/62/51/45/508625145.db2.gz MOTGMSGCBNMADZ-HNNXBMFYSA-N 1 1 360.414 2.954 10 5 FFBEMO Cc1ccc(N2CCC(NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1 ZINC000157950083 508637067 /nfs/dbraw/zinc/63/70/67/508637067.db2.gz CXQLGLNPRZLEJW-UHFFFAOYSA-N 1 1 354.410 2.626 10 5 FFBEMO Cn1cc(C[N@H+]2CCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cn1 ZINC000153820559 508656279 /nfs/dbraw/zinc/65/62/79/508656279.db2.gz CGRLJTXPHIWZAM-UHFFFAOYSA-N 1 1 363.849 2.690 10 5 FFBEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154588454 508815055 /nfs/dbraw/zinc/81/50/55/508815055.db2.gz JNKHRGHCIZLPPH-HNNXBMFYSA-N 1 1 357.414 2.593 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)o2)cc1 ZINC000160784899 509032569 /nfs/dbraw/zinc/03/25/69/509032569.db2.gz OVXWGWJWVSCMSR-RDTXWAMCSA-N 1 1 358.398 2.772 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(c4cc[nH]n4)CC3)n2)cc1 ZINC000195507538 509199619 /nfs/dbraw/zinc/19/96/19/509199619.db2.gz XNJZQSSZKKVEKA-UHFFFAOYSA-N 1 1 354.370 2.748 10 5 FFBEMO COC(=O)c1cnc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000189379541 509547628 /nfs/dbraw/zinc/54/76/28/509547628.db2.gz IMJULISFISTNHK-ZDUSSCGKSA-N 1 1 358.398 2.709 10 5 FFBEMO Cn1cc(CN2CCC[N@H+](C3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179727882 509593455 /nfs/dbraw/zinc/59/34/55/509593455.db2.gz WIRPEKARONSLNG-UHFFFAOYSA-N 1 1 355.442 2.665 10 5 FFBEMO CCOc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)c([N+](=O)[O-])cc1OC ZINC000177009189 509815346 /nfs/dbraw/zinc/81/53/46/509815346.db2.gz DOAACDWKADAHKX-ZDUSSCGKSA-N 1 1 365.430 2.558 10 5 FFBEMO CC[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C[C@H](C)O ZINC000245924756 510209048 /nfs/dbraw/zinc/20/90/48/510209048.db2.gz TXQAHJAGLGIUHZ-YOEHRIQHSA-N 1 1 374.441 2.527 10 5 FFBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171703606 510317464 /nfs/dbraw/zinc/31/74/64/510317464.db2.gz WBRVOABTNVDPPE-WFASDCNBSA-N 1 1 369.385 2.634 10 5 FFBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171703606 510317471 /nfs/dbraw/zinc/31/74/71/510317471.db2.gz WBRVOABTNVDPPE-WFASDCNBSA-N 1 1 369.385 2.634 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000174974081 510415088 /nfs/dbraw/zinc/41/50/88/510415088.db2.gz YVKYTVLNQBVNBY-FUHWJXTLSA-N 1 1 360.458 2.872 10 5 FFBEMO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000172020938 510502789 /nfs/dbraw/zinc/50/27/89/510502789.db2.gz UMHLEINBFIVVCT-CYBMUJFWSA-N 1 1 355.866 2.773 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1CC ZINC000116771676 728573531 /nfs/dbraw/zinc/57/35/31/728573531.db2.gz YWRPZBYIVAECNE-ZDUSSCGKSA-N 1 1 369.849 2.821 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1CC ZINC000116771676 728573533 /nfs/dbraw/zinc/57/35/33/728573533.db2.gz YWRPZBYIVAECNE-ZDUSSCGKSA-N 1 1 369.849 2.821 10 5 FFBEMO CC[N@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000245481826 729570381 /nfs/dbraw/zinc/57/03/81/729570381.db2.gz YTDXMAVRNCLXIM-OCCSQVGLSA-N 1 1 368.865 2.991 10 5 FFBEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000245481827 729570601 /nfs/dbraw/zinc/57/06/01/729570601.db2.gz YTDXMAVRNCLXIM-TZMCWYRMSA-N 1 1 368.865 2.991 10 5 FFBEMO Cn1cc[nH+]c1CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000096482961 250057800 /nfs/dbraw/zinc/05/78/00/250057800.db2.gz NYMLQAMEZGJPPE-UHFFFAOYSA-N 1 1 372.166 2.588 10 5 FFBEMO CN(c1ncc([N+](=O)[O-])c(N)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000301331830 258042797 /nfs/dbraw/zinc/04/27/97/258042797.db2.gz LWOGDPOTGUZVKA-XYPWUTKMSA-N 1 1 368.441 2.599 10 5 FFBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000109675103 507979288 /nfs/dbraw/zinc/97/92/88/507979288.db2.gz KKGSRPGSMVXKOV-OAHLLOKOSA-N 1 1 358.398 2.596 10 5 FFBEMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000116253032 508493061 /nfs/dbraw/zinc/49/30/61/508493061.db2.gz UBVHTJNPPQNCFS-MAUKXSAKSA-N 1 1 368.437 2.939 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CC ZINC000116771702 508557900 /nfs/dbraw/zinc/55/79/00/508557900.db2.gz HBDGVKFNPNLNCR-CQSZACIVSA-N 1 1 369.849 2.821 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CC ZINC000116771702 508557902 /nfs/dbraw/zinc/55/79/02/508557902.db2.gz HBDGVKFNPNLNCR-CQSZACIVSA-N 1 1 369.849 2.821 10 5 FFBEMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000161122753 509074057 /nfs/dbraw/zinc/07/40/57/509074057.db2.gz HZQDGKZXXRTNKY-UONOGXRCSA-N 1 1 370.331 2.618 10 5 FFBEMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000161122753 509074059 /nfs/dbraw/zinc/07/40/59/509074059.db2.gz HZQDGKZXXRTNKY-UONOGXRCSA-N 1 1 370.331 2.618 10 5 FFBEMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000120882602 509082438 /nfs/dbraw/zinc/08/24/38/509082438.db2.gz BVRQMIYEWUMHIV-SFHVURJKSA-N 1 1 360.458 2.797 10 5 FFBEMO C[C@@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000151801195 509085838 /nfs/dbraw/zinc/08/58/38/509085838.db2.gz BQPQZHQVFITUOO-QRWLVFNGSA-N 1 1 355.438 2.665 10 5 FFBEMO C[C@@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000151801195 509085841 /nfs/dbraw/zinc/08/58/41/509085841.db2.gz BQPQZHQVFITUOO-QRWLVFNGSA-N 1 1 355.438 2.665 10 5 FFBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)o1 ZINC000121009913 509109070 /nfs/dbraw/zinc/10/90/70/509109070.db2.gz SEMDYRWDDLCPLO-HNNXBMFYSA-N 1 1 357.410 2.761 10 5 FFBEMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000121178275 509146020 /nfs/dbraw/zinc/14/60/20/509146020.db2.gz JXSDWHOUTSKKMN-IRXDYDNUSA-N 1 1 361.442 2.863 10 5 FFBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503239 509195146 /nfs/dbraw/zinc/19/51/46/509195146.db2.gz QRPAXQUHWMWQLJ-CYBMUJFWSA-N 1 1 357.414 2.535 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245420691 509921271 /nfs/dbraw/zinc/92/12/71/509921271.db2.gz HQLFJYWZZPTWRF-HOTGVXAUSA-N 1 1 360.458 2.790 10 5 FFBEMO O=[N+]([O-])c1cc(C[N@@H+]2CCCN(c3ccccn3)CC2)c2c(c1)COCO2 ZINC000183815369 509988633 /nfs/dbraw/zinc/98/86/33/509988633.db2.gz UBDUTXCTYRFPHE-UHFFFAOYSA-N 1 1 370.409 2.569 10 5 FFBEMO O=[N+]([O-])c1cc(C[N@H+]2CCCN(c3ccccn3)CC2)c2c(c1)COCO2 ZINC000183815369 509988643 /nfs/dbraw/zinc/98/86/43/509988643.db2.gz UBDUTXCTYRFPHE-UHFFFAOYSA-N 1 1 370.409 2.569 10 5 FFBEMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000182098100 510757096 /nfs/dbraw/zinc/75/70/96/510757096.db2.gz NVZPFDHMUFISGC-AWEZNQCLSA-N 1 1 357.410 2.854 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000247485997 510862629 /nfs/dbraw/zinc/86/26/29/510862629.db2.gz TVDROXUQFPOEJR-ZBFHGGJFSA-N 1 1 358.442 2.504 10 5 FFBEMO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)CC23CCCCC3)c([N+](=O)[O-])c1 ZINC000408358881 513052662 /nfs/dbraw/zinc/05/26/62/513052662.db2.gz ISNJAPIYXRWGDQ-UHFFFAOYSA-N 1 1 367.471 2.542 10 5 FFBEMO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)CC23CCCCC3)c([N+](=O)[O-])c1 ZINC000408358881 513052664 /nfs/dbraw/zinc/05/26/64/513052664.db2.gz ISNJAPIYXRWGDQ-UHFFFAOYSA-N 1 1 367.471 2.542 10 5 FFBEMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177768400 729146270 /nfs/dbraw/zinc/14/62/70/729146270.db2.gz APMJXXZBZNWIBB-GXTWGEPZSA-N 1 1 366.849 2.745 10 5 FFBEMO COc1cc(C[NH+]2CCC(c3ccnn3C)CC2)c([N+](=O)[O-])cc1OC ZINC000092810401 250003723 /nfs/dbraw/zinc/00/37/23/250003723.db2.gz RXJULVYNKREXBL-UHFFFAOYSA-N 1 1 360.414 2.725 10 5 FFBEMO COc1cc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c([N+](=O)[O-])cc1OC ZINC000093691138 250041107 /nfs/dbraw/zinc/04/11/07/250041107.db2.gz SOFNZGWCICDQJT-OAHLLOKOSA-N 1 1 359.382 2.660 10 5 FFBEMO COc1cc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c([N+](=O)[O-])cc1OC ZINC000093691138 250041112 /nfs/dbraw/zinc/04/11/12/250041112.db2.gz SOFNZGWCICDQJT-OAHLLOKOSA-N 1 1 359.382 2.660 10 5 FFBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000106129747 250240081 /nfs/dbraw/zinc/24/00/81/250240081.db2.gz PPENZAPMTUDPIH-MRXNPFEDSA-N 1 1 357.458 2.949 10 5 FFBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129747 250240085 /nfs/dbraw/zinc/24/00/85/250240085.db2.gz PPENZAPMTUDPIH-MRXNPFEDSA-N 1 1 357.458 2.949 10 5 FFBEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192541700 251285518 /nfs/dbraw/zinc/28/55/18/251285518.db2.gz VEBZMCQSMFOBCP-LLVKDONJSA-N 1 1 353.473 2.775 10 5 FFBEMO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000116250192 508491188 /nfs/dbraw/zinc/49/11/88/508491188.db2.gz IIYDYADCQVECAL-YJBOKZPZSA-N 1 1 368.437 2.939 10 5 FFBEMO CC(C)C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000131471353 508936487 /nfs/dbraw/zinc/93/64/87/508936487.db2.gz NAWYUFLJHJVDHE-CQSZACIVSA-N 1 1 355.460 2.531 10 5 FFBEMO COc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)cc([N+](=O)[O-])c1C ZINC000188958289 509341682 /nfs/dbraw/zinc/34/16/82/509341682.db2.gz IBDRJWDVRSFEGN-OAHLLOKOSA-N 1 1 358.398 2.722 10 5 FFBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183831501 509996512 /nfs/dbraw/zinc/99/65/12/509996512.db2.gz RFESNGWWKQQFBX-OAHLLOKOSA-N 1 1 369.425 2.529 10 5 FFBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183831501 509996517 /nfs/dbraw/zinc/99/65/17/509996517.db2.gz RFESNGWWKQQFBX-OAHLLOKOSA-N 1 1 369.425 2.529 10 5 FFBEMO Cc1cccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000190601405 510233246 /nfs/dbraw/zinc/23/32/46/510233246.db2.gz QVHJXCYXUUBFHQ-KRWDZBQOSA-N 1 1 368.437 2.892 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190626044 510247796 /nfs/dbraw/zinc/24/77/96/510247796.db2.gz ZMOFHLVMWMAAMX-MRXNPFEDSA-N 1 1 354.410 2.584 10 5 FFBEMO Cc1c(F)cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000184947564 510599905 /nfs/dbraw/zinc/59/99/05/510599905.db2.gz NMXIUADDRRWQPP-ZDUSSCGKSA-N 1 1 373.450 2.537 10 5 FFBEMO C[N@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000246923798 510747804 /nfs/dbraw/zinc/74/78/04/510747804.db2.gz NAMXVAZLCAUTKH-SWLSCSKDSA-N 1 1 366.849 2.603 10 5 FFBEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247286854 510855378 /nfs/dbraw/zinc/85/53/78/510855378.db2.gz KPWXFUDKALYAAF-GXTWGEPZSA-N 1 1 369.849 2.862 10 5 FFBEMO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247556169 510865672 /nfs/dbraw/zinc/86/56/72/510865672.db2.gz UBVHTJNPPQNCFS-QAPCUYQASA-N 1 1 368.437 2.939 10 5 FFBEMO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C[C@H](C)O ZINC000247706337 510868942 /nfs/dbraw/zinc/86/89/42/510868942.db2.gz ZAGZKDCKGUFOMR-RYUDHWBXSA-N 1 1 370.837 2.557 10 5 FFBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000174533161 729073801 /nfs/dbraw/zinc/07/38/01/729073801.db2.gz HBQDIOCKDXWVLW-LBPRGKRZSA-N 1 1 370.247 2.914 10 5 FFBEMO COc1ccc(C[N@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1[N+](=O)[O-] ZINC000106178013 250247650 /nfs/dbraw/zinc/24/76/50/250247650.db2.gz VIEGBMBWLQFGDR-MRXNPFEDSA-N 1 1 359.430 2.724 10 5 FFBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000106177600 250248523 /nfs/dbraw/zinc/24/85/23/250248523.db2.gz OPODMEBUUYACQM-INIZCTEOSA-N 1 1 359.430 2.594 10 5 FFBEMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000066396299 506506799 /nfs/dbraw/zinc/50/67/99/506506799.db2.gz YYUJAQJEBXBGQS-GFCCVEGCSA-N 1 1 367.833 2.574 10 5 FFBEMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000136896596 508723021 /nfs/dbraw/zinc/72/30/21/508723021.db2.gz PIOAISFIRDQQTC-LPHOPBHVSA-N 1 1 369.421 2.979 10 5 FFBEMO C[C@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000151801107 509085676 /nfs/dbraw/zinc/08/56/76/509085676.db2.gz BQPQZHQVFITUOO-YWZLYKJASA-N 1 1 355.438 2.665 10 5 FFBEMO C[C@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000151801107 509085680 /nfs/dbraw/zinc/08/56/80/509085680.db2.gz BQPQZHQVFITUOO-YWZLYKJASA-N 1 1 355.438 2.665 10 5 FFBEMO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000121441053 509174351 /nfs/dbraw/zinc/17/43/51/509174351.db2.gz UZUDQCVYVOZEHE-UHFFFAOYSA-N 1 1 357.458 2.571 10 5 FFBEMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC000195501964 509195545 /nfs/dbraw/zinc/19/55/45/509195545.db2.gz LJZVMDWAPDJDHR-CQSZACIVSA-N 1 1 371.441 2.843 10 5 FFBEMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000248701386 509442541 /nfs/dbraw/zinc/44/25/41/509442541.db2.gz NAUSFVVCWWQOOT-LSDHHAIUSA-N 1 1 360.458 2.904 10 5 FFBEMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246184680 510345425 /nfs/dbraw/zinc/34/54/25/510345425.db2.gz VLIJUIHNWOWOFZ-GJZGRUSLSA-N 1 1 369.425 2.751 10 5 FFBEMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246184680 510345429 /nfs/dbraw/zinc/34/54/29/510345429.db2.gz VLIJUIHNWOWOFZ-GJZGRUSLSA-N 1 1 369.425 2.751 10 5 FFBEMO CN(C(=O)C[N@@H+]1CCC[C@@H](c2nccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000195345777 510795775 /nfs/dbraw/zinc/79/57/75/510795775.db2.gz VLSJPAKECBPBRR-CYBMUJFWSA-N 1 1 360.439 2.894 10 5 FFBEMO CN(C(=O)C[N@H+]1CCC[C@@H](c2nccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000195345777 510795780 /nfs/dbraw/zinc/79/57/80/510795780.db2.gz VLSJPAKECBPBRR-CYBMUJFWSA-N 1 1 360.439 2.894 10 5 FFBEMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000247036240 510812230 /nfs/dbraw/zinc/81/22/30/510812230.db2.gz QZGQWOBQBCQIEH-SJCJKPOMSA-N 1 1 367.833 2.814 10 5 FFBEMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000247036240 510812234 /nfs/dbraw/zinc/81/22/34/510812234.db2.gz QZGQWOBQBCQIEH-SJCJKPOMSA-N 1 1 367.833 2.814 10 5 FFBEMO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247152120 510845949 /nfs/dbraw/zinc/84/59/49/510845949.db2.gz IIYDYADCQVECAL-QAPCUYQASA-N 1 1 368.437 2.939 10 5 FFBEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000247258846 510854456 /nfs/dbraw/zinc/85/44/56/510854456.db2.gz QFQSEWKERRVCEL-WMLDXEAASA-N 1 1 354.410 2.630 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H]([C@H]4CCCO4)C3)o2)c1 ZINC000247316054 510856725 /nfs/dbraw/zinc/85/67/25/510856725.db2.gz MEUPRJRPWLXLFY-AEFFLSMTSA-N 1 1 373.409 2.672 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H]([C@H]4CCCO4)C3)o2)c1 ZINC000247316054 510856726 /nfs/dbraw/zinc/85/67/26/510856726.db2.gz MEUPRJRPWLXLFY-AEFFLSMTSA-N 1 1 373.409 2.672 10 5 FFBEMO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1SC ZINC000247472847 510862100 /nfs/dbraw/zinc/86/21/00/510862100.db2.gz VLTYZZLLVCIEMG-DGCLKSJQSA-N 1 1 367.471 2.784 10 5 FFBEMO CC[N@H+]1CCc2c(cccc2Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301709497 511700562 /nfs/dbraw/zinc/70/05/62/511700562.db2.gz UIMIGTABKVLXJC-UHFFFAOYSA-N 1 1 365.393 2.724 10 5 FFBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000174533144 729073774 /nfs/dbraw/zinc/07/37/74/729073774.db2.gz HBQDIOCKDXWVLW-GFCCVEGCSA-N 1 1 370.247 2.914 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(Cn4cccn4)CC3)n2)c1 ZINC000106183218 250251303 /nfs/dbraw/zinc/25/13/03/250251303.db2.gz WPRIKRHYNWJOJQ-UHFFFAOYSA-N 1 1 368.397 2.754 10 5 FFBEMO CCC[NH+]1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000037246992 506423314 /nfs/dbraw/zinc/42/33/14/506423314.db2.gz QWUAJGGRGFBNFI-UHFFFAOYSA-N 1 1 356.220 2.525 10 5 FFBEMO CCc1[nH+]ccn1[C@@H]1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000106216372 508398139 /nfs/dbraw/zinc/39/81/39/508398139.db2.gz KOSVLYFXSHNYSK-MRXNPFEDSA-N 1 1 371.441 2.938 10 5 FFBEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000116246934 508491514 /nfs/dbraw/zinc/49/15/14/508491514.db2.gz QHLGCPMRTSFGCB-KSSFIOAISA-N 1 1 354.410 2.630 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116251825 508491789 /nfs/dbraw/zinc/49/17/89/508491789.db2.gz TVCVTHRMRMHYQR-HNAYVOBHSA-N 1 1 368.437 2.939 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)n2)cc1 ZINC000140531336 508806715 /nfs/dbraw/zinc/80/67/15/508806715.db2.gz GKZRSYIZHSOFAZ-RDTXWAMCSA-N 1 1 358.398 2.772 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)n2)cc1 ZINC000140531336 508806717 /nfs/dbraw/zinc/80/67/17/508806717.db2.gz GKZRSYIZHSOFAZ-RDTXWAMCSA-N 1 1 358.398 2.772 10 5 FFBEMO CC(C)C[N@H+]1CCC[C@@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000131408416 508927355 /nfs/dbraw/zinc/92/73/55/508927355.db2.gz FTGIHDICWMVOIB-CYBMUJFWSA-N 1 1 355.460 2.531 10 5 FFBEMO O=C1NCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000156248353 509149871 /nfs/dbraw/zinc/14/98/71/509149871.db2.gz SRKMEJXAKMIRMQ-UHFFFAOYSA-N 1 1 372.347 2.603 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1CC ZINC000133435992 509159678 /nfs/dbraw/zinc/15/96/78/509159678.db2.gz BBZFSJVIKWUJPV-MRXNPFEDSA-N 1 1 364.446 2.868 10 5 FFBEMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503237 509195263 /nfs/dbraw/zinc/19/52/63/509195263.db2.gz QRPAXQUHWMWQLJ-ZDUSSCGKSA-N 1 1 357.414 2.535 10 5 FFBEMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)CC[C@H]21 ZINC000247953268 509197142 /nfs/dbraw/zinc/19/71/42/509197142.db2.gz FGSCAKJDNZSOCI-CRAIPNDOSA-N 1 1 372.469 2.751 10 5 FFBEMO Cn1nccc1C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000195503472 509197698 /nfs/dbraw/zinc/19/76/98/509197698.db2.gz LONPGQFGJVOULV-UHFFFAOYSA-N 1 1 368.397 2.758 10 5 FFBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000175960466 509238394 /nfs/dbraw/zinc/23/83/94/509238394.db2.gz WZJJXZSGAHIZQF-KRWDZBQOSA-N 1 1 357.414 2.516 10 5 FFBEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000192267490 509435145 /nfs/dbraw/zinc/43/51/45/509435145.db2.gz IELRJQLZEQJZON-AWEZNQCLSA-N 1 1 364.446 2.622 10 5 FFBEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000192267490 509435148 /nfs/dbraw/zinc/43/51/48/509435148.db2.gz IELRJQLZEQJZON-AWEZNQCLSA-N 1 1 364.446 2.622 10 5 FFBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179526612 509495106 /nfs/dbraw/zinc/49/51/06/509495106.db2.gz UNAXAJIPMGZRQF-MRXNPFEDSA-N 1 1 358.442 2.855 10 5 FFBEMO O=C(CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000249254281 509640367 /nfs/dbraw/zinc/64/03/67/509640367.db2.gz GBYUQADAAPWEQK-UGSOOPFHSA-N 1 1 365.405 2.690 10 5 FFBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000245697324 510092745 /nfs/dbraw/zinc/09/27/45/510092745.db2.gz SJOKRMKIXGNPJR-RDTXWAMCSA-N 1 1 374.441 2.673 10 5 FFBEMO COc1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC ZINC000180835629 510135601 /nfs/dbraw/zinc/13/56/01/510135601.db2.gz CWMUMPARNGEORC-NSHDSACASA-N 1 1 359.382 2.562 10 5 FFBEMO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182140578 510778795 /nfs/dbraw/zinc/77/87/95/510778795.db2.gz DMKYSAWZBBQXBY-ZDUSSCGKSA-N 1 1 355.866 2.773 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[N@H+](C4CC4)CC3)o2)c1 ZINC000172539950 510781562 /nfs/dbraw/zinc/78/15/62/510781562.db2.gz ZGHDJTFFIINJSO-UHFFFAOYSA-N 1 1 356.426 2.962 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCN(C4CC4)CC3)o2)c1 ZINC000172539950 510781568 /nfs/dbraw/zinc/78/15/68/510781568.db2.gz ZGHDJTFFIINJSO-UHFFFAOYSA-N 1 1 356.426 2.962 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCN(C4CC4)CC3)o2)c1 ZINC000172539950 510781572 /nfs/dbraw/zinc/78/15/72/510781572.db2.gz ZGHDJTFFIINJSO-UHFFFAOYSA-N 1 1 356.426 2.962 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000247029229 510807287 /nfs/dbraw/zinc/80/72/87/510807287.db2.gz GGKMQPKBAQRGEM-WBVHZDCISA-N 1 1 372.469 2.506 10 5 FFBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182239440 510830041 /nfs/dbraw/zinc/83/00/41/510830041.db2.gz QRLRCYVCUSMNHM-DOTOQJQBSA-N 1 1 374.441 2.522 10 5 FFBEMO C[C@@H]1[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC12CCOCC2 ZINC000371814522 512586122 /nfs/dbraw/zinc/58/61/22/512586122.db2.gz FBQNREOLPRPMAL-WMLDXEAASA-N 1 1 359.426 2.591 10 5 FFBEMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000408111990 513002316 /nfs/dbraw/zinc/00/23/16/513002316.db2.gz HILNEMSCYISSOC-XHSDSOJGSA-N 1 1 374.485 2.853 10 5 FFBEMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000408111990 513002322 /nfs/dbraw/zinc/00/23/22/513002322.db2.gz HILNEMSCYISSOC-XHSDSOJGSA-N 1 1 374.485 2.853 10 5 FFBEMO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[N@H+]2CCC[C@H]2C1 ZINC000246168842 729581691 /nfs/dbraw/zinc/58/16/91/729581691.db2.gz NRTOUCJNKRPOSS-JTQLQIEISA-N 1 1 360.292 2.806 10 5 FFBEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000106177596 250248572 /nfs/dbraw/zinc/24/85/72/250248572.db2.gz OPODMEBUUYACQM-MRXNPFEDSA-N 1 1 359.430 2.594 10 5 FFBEMO Cc1ccc(Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000301808916 258068902 /nfs/dbraw/zinc/06/89/02/258068902.db2.gz GGZKWSFWQYBSPX-UHFFFAOYSA-N 1 1 368.437 2.963 10 5 FFBEMO CC[NH+]1CCN(c2ncnc(Nc3cc(C)ccc3C)c2[N+](=O)[O-])CC1 ZINC000040591768 132946912 /nfs/dbraw/zinc/94/69/12/132946912.db2.gz XUKWTPSLFYXMQO-UHFFFAOYSA-N 1 1 356.430 2.887 10 5 FFBEMO COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000157931257 508634537 /nfs/dbraw/zinc/63/45/37/508634537.db2.gz AGSDXIPHGOTZFM-UHFFFAOYSA-N 1 1 370.409 2.706 10 5 FFBEMO COc1c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)nn1C ZINC000130734922 508839154 /nfs/dbraw/zinc/83/91/54/508839154.db2.gz ZIYVPXOBBVCEGF-UHFFFAOYSA-N 1 1 360.414 2.689 10 5 FFBEMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248088198 509235118 /nfs/dbraw/zinc/23/51/18/509235118.db2.gz TUSHOFXSYZWVLP-IAGOWNOFSA-N 1 1 370.365 2.678 10 5 FFBEMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000179085176 509255716 /nfs/dbraw/zinc/25/57/16/509255716.db2.gz RMFGKDQIQLFALX-MRXNPFEDSA-N 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O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171890740 510431761 /nfs/dbraw/zinc/43/17/61/510431761.db2.gz KNISSQAUEGQOCC-NSHDSACASA-N 1 1 356.329 2.508 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000246857298 510713764 /nfs/dbraw/zinc/71/37/64/510713764.db2.gz IQPATHVHVFDOFZ-QAPCUYQASA-N 1 1 360.458 2.796 10 5 FFBEMO O=C(CC[N@H+]1CCO[C@@H]2CCCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000185188989 510738584 /nfs/dbraw/zinc/73/85/84/510738584.db2.gz WMFFDRYFUDGBJM-JKSUJKDBSA-N 1 1 351.378 2.706 10 5 FFBEMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(Br)c1 ZINC000301402636 258047439 /nfs/dbraw/zinc/04/74/39/258047439.db2.gz RGQJKNBADOAJQO-GFCCVEGCSA-N 1 1 356.220 2.632 10 5 FFBEMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](C3CC3)CCO2)c(Br)c1 ZINC000301402636 258047441 /nfs/dbraw/zinc/04/74/41/258047441.db2.gz RGQJKNBADOAJQO-GFCCVEGCSA-N 1 1 356.220 2.632 10 5 FFBEMO C[NH+](C)C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000032273343 506238027 /nfs/dbraw/zinc/23/80/27/506238027.db2.gz LWQHZFIYXNORKL-INIZCTEOSA-N 1 1 353.382 2.504 10 5 FFBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000154132380 508722612 /nfs/dbraw/zinc/72/26/12/508722612.db2.gz OTDUBNDYPYAOQS-CYBMUJFWSA-N 1 1 370.247 2.914 10 5 FFBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000137948929 508767363 /nfs/dbraw/zinc/76/73/63/508767363.db2.gz RMDJGELDHCXJNN-CYBMUJFWSA-N 1 1 367.471 2.547 10 5 FFBEMO Cc1ccc(N2CCC(NC(=O)Cc3cccc([N+](=O)[O-])c3C)CC2)[nH+]c1 ZINC000125151137 508939297 /nfs/dbraw/zinc/93/92/97/508939297.db2.gz LLNRHKYIUXQBQX-UHFFFAOYSA-N 1 1 368.437 2.934 10 5 FFBEMO Cc1nc(CN2CCC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)no1 ZINC000182753725 509411602 /nfs/dbraw/zinc/41/16/02/509411602.db2.gz RXEYBIZPAUKUDX-AWEZNQCLSA-N 1 1 359.430 2.864 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000190438575 510131382 /nfs/dbraw/zinc/13/13/82/510131382.db2.gz UCURGTXZMYAGIX-INIZCTEOSA-N 1 1 369.425 2.976 10 5 FFBEMO Cc1nc(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000171408938 510142035 /nfs/dbraw/zinc/14/20/35/510142035.db2.gz ZJBSXEMDYXTZLE-AWEZNQCLSA-N 1 1 373.413 2.570 10 5 FFBEMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171703610 510317250 /nfs/dbraw/zinc/31/72/50/510317250.db2.gz WBRVOABTNVDPPE-DOMZBBRYSA-N 1 1 369.385 2.634 10 5 FFBEMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171703610 510317256 /nfs/dbraw/zinc/31/72/56/510317256.db2.gz WBRVOABTNVDPPE-DOMZBBRYSA-N 1 1 369.385 2.634 10 5 FFBEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246674189 510611759 /nfs/dbraw/zinc/61/17/59/510611759.db2.gz IFKFKLVHOQKDBI-HNAYVOBHSA-N 1 1 368.437 2.559 10 5 FFBEMO CN(C(=O)C[N@@H+]1CCC[C@H](c2nccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000195345769 510796105 /nfs/dbraw/zinc/79/61/05/510796105.db2.gz VLSJPAKECBPBRR-ZDUSSCGKSA-N 1 1 360.439 2.894 10 5 FFBEMO CN(C(=O)C[N@H+]1CCC[C@H](c2nccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000195345769 510796107 /nfs/dbraw/zinc/79/61/07/510796107.db2.gz VLSJPAKECBPBRR-ZDUSSCGKSA-N 1 1 360.439 2.894 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000247076281 510827328 /nfs/dbraw/zinc/82/73/28/510827328.db2.gz YVKYTVLNQBVNBY-AEFFLSMTSA-N 1 1 360.458 2.872 10 5 FFBEMO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000407952280 512974821 /nfs/dbraw/zinc/97/48/21/512974821.db2.gz GCDQICCCCCLTPC-WBVHZDCISA-N 1 1 372.469 2.751 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000117436153 728578570 /nfs/dbraw/zinc/57/85/70/728578570.db2.gz ISYOFHVNQAYXQR-GFCCVEGCSA-N 1 1 370.837 2.823 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000117436153 728578573 /nfs/dbraw/zinc/57/85/73/728578573.db2.gz ISYOFHVNQAYXQR-GFCCVEGCSA-N 1 1 370.837 2.823 10 5 FFBEMO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000182189531 729271355 /nfs/dbraw/zinc/27/13/55/729271355.db2.gz NFIRKDNXYAMKIZ-LLVKDONJSA-N 1 1 352.387 2.988 10 5 FFBEMO Cc1ccc(N2CCC(NC(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000131974316 251035721 /nfs/dbraw/zinc/03/57/21/251035721.db2.gz OWUZZWLTPSXRGE-UHFFFAOYSA-N 1 1 358.373 2.836 10 5 FFBEMO COC(=O)c1cnc(NC2CCN(c3cccc(C)[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000302772300 258110283 /nfs/dbraw/zinc/11/02/83/258110283.db2.gz NJBHCJNQZYVNKO-UHFFFAOYSA-N 1 1 371.397 2.561 10 5 FFBEMO Cn1cc(C[N@H+]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cn1 ZINC000112080548 508149243 /nfs/dbraw/zinc/14/92/43/508149243.db2.gz GSLCJFFZZNXSRX-UHFFFAOYSA-N 1 1 366.425 2.589 10 5 FFBEMO COc1ccccc1CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000104711145 508342728 /nfs/dbraw/zinc/34/27/28/508342728.db2.gz RWNOYDUABBXPPL-UHFFFAOYSA-N 1 1 373.409 2.725 10 5 FFBEMO COc1ccccc1CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000104711145 508342731 /nfs/dbraw/zinc/34/27/31/508342731.db2.gz RWNOYDUABBXPPL-UHFFFAOYSA-N 1 1 373.409 2.725 10 5 FFBEMO Cc1cc(C)n(C[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000106199551 508398076 /nfs/dbraw/zinc/39/80/76/508398076.db2.gz DDPNNKRZHWUMSC-LJQANCHMSA-N 1 1 374.441 2.578 10 5 FFBEMO Cc1cc(C)n(C[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000106199551 508398077 /nfs/dbraw/zinc/39/80/77/508398077.db2.gz DDPNNKRZHWUMSC-LJQANCHMSA-N 1 1 374.441 2.578 10 5 FFBEMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000116275296 508493988 /nfs/dbraw/zinc/49/39/88/508493988.db2.gz GRYKTUUIUMVLDE-UHFFFAOYSA-N 1 1 364.833 2.817 10 5 FFBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116318346 508498366 /nfs/dbraw/zinc/49/83/66/508498366.db2.gz RPRAHEGLKOBBED-JSGCOSHPSA-N 1 1 368.397 2.929 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1CC ZINC000116928018 508571262 /nfs/dbraw/zinc/57/12/62/508571262.db2.gz OGIRAQMBQFINGT-HNNXBMFYSA-N 1 1 350.419 2.559 10 5 FFBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000122960225 508614242 /nfs/dbraw/zinc/61/42/42/508614242.db2.gz NTIYIZKDOCSIHW-UHFFFAOYSA-N 1 1 373.413 2.824 10 5 FFBEMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000159839637 508899165 /nfs/dbraw/zinc/89/91/65/508899165.db2.gz NJNXWUOZGHQIGP-GOEBONIOSA-N 1 1 357.410 2.643 10 5 FFBEMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000248373338 509278945 /nfs/dbraw/zinc/27/89/45/509278945.db2.gz ICAIXAUDQFONEB-KGLIPLIRSA-N 1 1 363.439 2.671 10 5 FFBEMO CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000177173751 509917216 /nfs/dbraw/zinc/91/72/16/509917216.db2.gz MZXPQKRFGOVDDV-OAHLLOKOSA-N 1 1 358.398 2.803 10 5 FFBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000193854739 510102263 /nfs/dbraw/zinc/10/22/63/510102263.db2.gz NUNTUWVSCIKOCK-ZDUSSCGKSA-N 1 1 357.370 2.832 10 5 FFBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000193854739 510102265 /nfs/dbraw/zinc/10/22/65/510102265.db2.gz NUNTUWVSCIKOCK-ZDUSSCGKSA-N 1 1 357.370 2.832 10 5 FFBEMO C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000268870615 510109637 /nfs/dbraw/zinc/10/96/37/510109637.db2.gz UERVSHGBOMNJBX-ZWNOBZJWSA-N 1 1 355.236 2.673 10 5 FFBEMO COc1cc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c([N+](=O)[O-])cc1F ZINC000184199428 510187808 /nfs/dbraw/zinc/18/78/08/510187808.db2.gz PACNCPYODMMLIG-GFCCVEGCSA-N 1 1 364.377 2.889 10 5 FFBEMO COc1cc(C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)c([N+](=O)[O-])cc1F ZINC000184199428 510187816 /nfs/dbraw/zinc/18/78/16/510187816.db2.gz PACNCPYODMMLIG-GFCCVEGCSA-N 1 1 364.377 2.889 10 5 FFBEMO Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190623754 510246172 /nfs/dbraw/zinc/24/61/72/510246172.db2.gz AKPMWJRRRSAPAS-QGZVFWFLSA-N 1 1 368.437 2.892 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000190627421 510249312 /nfs/dbraw/zinc/24/93/12/510249312.db2.gz MKLLCRFPJCPEJT-MRXNPFEDSA-N 1 1 354.410 2.584 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000190637264 510254148 /nfs/dbraw/zinc/25/41/48/510254148.db2.gz YGXKLAVDDMUWPU-AWEZNQCLSA-N 1 1 360.439 2.645 10 5 FFBEMO CCCn1cc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cn1 ZINC000174742484 510287102 /nfs/dbraw/zinc/28/71/02/510287102.db2.gz JVTRLKZFVBJQHA-UHFFFAOYSA-N 1 1 373.457 2.922 10 5 FFBEMO Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000246342712 510438281 /nfs/dbraw/zinc/43/82/81/510438281.db2.gz UZMIVVVMHDASLZ-CRAIPNDOSA-N 1 1 356.426 2.766 10 5 FFBEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000178306253 510537768 /nfs/dbraw/zinc/53/77/68/510537768.db2.gz QKPCPTVLPKZTMJ-INIZCTEOSA-N 1 1 358.398 2.631 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000175438250 510648403 /nfs/dbraw/zinc/64/84/03/510648403.db2.gz NMFVUGCBYNVUAU-ZIAGYGMSSA-N 1 1 362.386 2.510 10 5 FFBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000182081279 510746216 /nfs/dbraw/zinc/74/62/16/510746216.db2.gz ZPGGWAWQIRSOPF-HNNXBMFYSA-N 1 1 357.410 2.610 10 5 FFBEMO Nc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1[N+](=O)[O-] ZINC000311703893 511778091 /nfs/dbraw/zinc/77/80/91/511778091.db2.gz UWZIBIQJWPVDAA-YQQAZPJKSA-N 1 1 353.426 2.895 10 5 FFBEMO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000102928828 250128084 /nfs/dbraw/zinc/12/80/84/250128084.db2.gz NITSDRUCLHMMEA-OAHLLOKOSA-N 1 1 369.377 2.760 10 5 FFBEMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000102928828 250128087 /nfs/dbraw/zinc/12/80/87/250128087.db2.gz NITSDRUCLHMMEA-OAHLLOKOSA-N 1 1 369.377 2.760 10 5 FFBEMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(Cn3cccn3)CC2)cccc1[N+](=O)[O-] ZINC000106183750 250251797 /nfs/dbraw/zinc/25/17/97/250251797.db2.gz KBBFWEFIPYGHGD-OAHLLOKOSA-N 1 1 371.441 2.839 10 5 FFBEMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072867074 507866554 /nfs/dbraw/zinc/86/65/54/507866554.db2.gz MSQDVLVZPKBRDU-MJGOQNOKSA-N 1 1 369.421 2.782 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)co2)cc1 ZINC000089901667 507881410 /nfs/dbraw/zinc/88/14/10/507881410.db2.gz MJEQIKIQWBRFRZ-CQSZACIVSA-N 1 1 368.397 2.754 10 5 FFBEMO Cn1cc([C@H]2CC[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000128361974 508582934 /nfs/dbraw/zinc/58/29/34/508582934.db2.gz UINUYPTXBNAOOA-HNNXBMFYSA-N 1 1 366.425 2.718 10 5 FFBEMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125112391 508932261 /nfs/dbraw/zinc/93/22/61/508932261.db2.gz VKKWQMMNQZZWAQ-CQSZACIVSA-N 1 1 355.460 2.675 10 5 FFBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000176988184 509802708 /nfs/dbraw/zinc/80/27/08/509802708.db2.gz OSXKOZBBDZNYND-MRXNPFEDSA-N 1 1 360.458 2.751 10 5 FFBEMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)cc1OC ZINC000177038003 509831114 /nfs/dbraw/zinc/83/11/14/509831114.db2.gz JGAGOULLUMJCFJ-ZDUSSCGKSA-N 1 1 365.430 2.558 10 5 FFBEMO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245402246 509904650 /nfs/dbraw/zinc/90/46/50/509904650.db2.gz HKNKYNWBEQBXBS-WCQYABFASA-N 1 1 360.370 2.591 10 5 FFBEMO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245402246 509904661 /nfs/dbraw/zinc/90/46/61/509904661.db2.gz HKNKYNWBEQBXBS-WCQYABFASA-N 1 1 360.370 2.591 10 5 FFBEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000171652203 510282640 /nfs/dbraw/zinc/28/26/40/510282640.db2.gz DVLTYSSUUYIUSU-QGZVFWFLSA-N 1 1 363.461 2.917 10 5 FFBEMO CCOc1cc(N2CCC[N@@H+](Cc3cnn(CC)c3)CC2)ccc1[N+](=O)[O-] ZINC000174915073 510384950 /nfs/dbraw/zinc/38/49/50/510384950.db2.gz HRHJIOVAPXBUQL-UHFFFAOYSA-N 1 1 373.457 2.922 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000175040278 510453128 /nfs/dbraw/zinc/45/31/28/510453128.db2.gz HQLFJYWZZPTWRF-JKSUJKDBSA-N 1 1 360.458 2.790 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000175045062 510456904 /nfs/dbraw/zinc/45/69/04/510456904.db2.gz HTSHFVFUFKLFQG-ZIAGYGMSSA-N 1 1 366.849 2.745 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000246609508 510582243 /nfs/dbraw/zinc/58/22/43/510582243.db2.gz ROCOZLYCQOIFOA-OLZOCXBDSA-N 1 1 362.386 2.510 10 5 FFBEMO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172179227 510585727 /nfs/dbraw/zinc/58/57/27/510585727.db2.gz PAIVFPJTOVJCIH-ZDUSSCGKSA-N 1 1 355.866 2.773 10 5 FFBEMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[N@H+](C2CC2)CC1 ZINC000178489687 510628186 /nfs/dbraw/zinc/62/81/86/510628186.db2.gz PMVCQUCTCBQPNQ-UHFFFAOYSA-N 1 1 368.231 2.668 10 5 FFBEMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[N@H+](C2CC2)CC1 ZINC000172531488 510775801 /nfs/dbraw/zinc/77/58/01/510775801.db2.gz JVRRFPAHSHEXOX-UHFFFAOYSA-N 1 1 368.231 2.668 10 5 FFBEMO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1SC ZINC000247472854 510862146 /nfs/dbraw/zinc/86/21/46/510862146.db2.gz VLTYZZLLVCIEMG-WCQYABFASA-N 1 1 367.471 2.784 10 5 FFBEMO Cc1cc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000408027701 512986158 /nfs/dbraw/zinc/98/61/58/512986158.db2.gz AVQHMPZZVCZDQJ-LSDHHAIUSA-N 1 1 370.247 2.575 10 5 FFBEMO Cc1cc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301616915 258059081 /nfs/dbraw/zinc/05/90/81/258059081.db2.gz CFRJPVCATVDKSW-PMACEKPBSA-N 1 1 353.422 2.993 10 5 FFBEMO Cc1cc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301616915 258059083 /nfs/dbraw/zinc/05/90/83/258059083.db2.gz CFRJPVCATVDKSW-PMACEKPBSA-N 1 1 353.422 2.993 10 5 FFBEMO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3C[N@@H+]3CCC[C@@H]3CO)ccc2c1 ZINC000301698790 258063646 /nfs/dbraw/zinc/06/36/46/258063646.db2.gz CLWRFSFWFRAZGL-IAGOWNOFSA-N 1 1 356.426 2.569 10 5 FFBEMO CCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCCCO1 ZINC000106867465 507825418 /nfs/dbraw/zinc/82/54/18/507825418.db2.gz KZULWFFKNYYLRJ-QGZVFWFLSA-N 1 1 361.442 2.765 10 5 FFBEMO CCc1[nH+]ccn1[C@H]1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000106216374 508398158 /nfs/dbraw/zinc/39/81/58/508398158.db2.gz KOSVLYFXSHNYSK-INIZCTEOSA-N 1 1 371.441 2.938 10 5 FFBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116245786 508491938 /nfs/dbraw/zinc/49/19/38/508491938.db2.gz SPACSSLXGRKBTK-KXBFYZLASA-N 1 1 368.437 2.939 10 5 FFBEMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000123755945 508734087 /nfs/dbraw/zinc/73/40/87/508734087.db2.gz JTCZVDVFXQTFGX-OKILXGFUSA-N 1 1 369.487 2.778 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000162455792 509229312 /nfs/dbraw/zinc/22/93/12/509229312.db2.gz HMCYFQUYUFNKCH-CQSZACIVSA-N 1 1 362.430 2.620 10 5 FFBEMO COc1cc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c([N+](=O)[O-])cc1OC ZINC000180126678 509765632 /nfs/dbraw/zinc/76/56/32/509765632.db2.gz BRMFNYRVMJSKHS-OAHLLOKOSA-N 1 1 360.414 2.782 10 5 FFBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000177043172 509835285 /nfs/dbraw/zinc/83/52/85/509835285.db2.gz CTZCUOINRCRPDT-ZDUSSCGKSA-N 1 1 364.402 2.676 10 5 FFBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000177184000 509924226 /nfs/dbraw/zinc/92/42/26/509924226.db2.gz URKXABLNZZUMTQ-INIZCTEOSA-N 1 1 369.425 2.979 10 5 FFBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000177186329 509924852 /nfs/dbraw/zinc/92/48/52/509924852.db2.gz CMLWXEVHMXHFFF-CQSZACIVSA-N 1 1 353.382 2.886 10 5 FFBEMO Cc1nc(CN2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000255775036 509935571 /nfs/dbraw/zinc/93/55/71/509935571.db2.gz SDRMFJQZLJGEBQ-DAXSKMNVSA-N 1 1 357.414 2.507 10 5 FFBEMO Cc1nc(CN2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000255775036 509935577 /nfs/dbraw/zinc/93/55/77/509935577.db2.gz SDRMFJQZLJGEBQ-DAXSKMNVSA-N 1 1 357.414 2.507 10 5 FFBEMO C[C@H](O)C[N@H+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000245759814 510132914 /nfs/dbraw/zinc/13/29/14/510132914.db2.gz PLGMZCXASNTWDK-GJZGRUSLSA-N 1 1 359.426 2.742 10 5 FFBEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000190544631 510195944 /nfs/dbraw/zinc/19/59/44/510195944.db2.gz OLRNPFLYSXMQGP-AWEZNQCLSA-N 1 1 374.466 2.954 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000190640705 510254796 /nfs/dbraw/zinc/25/47/96/510254796.db2.gz IPUJIZLNYDDSCC-CQSZACIVSA-N 1 1 360.439 2.645 10 5 FFBEMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1C ZINC000174736271 510281919 /nfs/dbraw/zinc/28/19/19/510281919.db2.gz XLWGLBNNYLYYSY-LBPRGKRZSA-N 1 1 359.373 2.743 10 5 FFBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 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CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000375872507 512546839 /nfs/dbraw/zinc/54/68/39/512546839.db2.gz FRQBTYXKAAAKSW-ZIAGYGMSSA-N 1 1 362.386 2.592 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1CC ZINC000116977143 728574827 /nfs/dbraw/zinc/57/48/27/728574827.db2.gz XRFBMYUMRPHZRH-CYBMUJFWSA-N 1 1 369.849 2.821 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1CC ZINC000116977143 728574829 /nfs/dbraw/zinc/57/48/29/728574829.db2.gz XRFBMYUMRPHZRH-CYBMUJFWSA-N 1 1 369.849 2.821 10 5 FFBEMO Cc1ccc(N2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000093151347 250021231 /nfs/dbraw/zinc/02/12/31/250021231.db2.gz XBGSCZDDUJNCJC-QPJJXVBHSA-N 1 1 353.426 2.919 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165721 250246408 /nfs/dbraw/zinc/24/64/08/250246408.db2.gz HTBBBOBMTJSVHO-UHFFFAOYSA-N 1 1 371.441 2.530 10 5 FFBEMO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000181099199 251241934 /nfs/dbraw/zinc/24/19/34/251241934.db2.gz JPDMOTPNOYIIOQ-GFCCVEGCSA-N 1 1 355.341 2.507 10 5 FFBEMO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000181099199 251241939 /nfs/dbraw/zinc/24/19/39/251241939.db2.gz JPDMOTPNOYIIOQ-GFCCVEGCSA-N 1 1 355.341 2.507 10 5 FFBEMO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[N@H+]1C[C@@H](C)O ZINC000106101527 508392858 /nfs/dbraw/zinc/39/28/58/508392858.db2.gz RMIGUYJQHPRLAW-NVXWUHKLSA-N 1 1 365.474 2.659 10 5 FFBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152567877 508471756 /nfs/dbraw/zinc/47/17/56/508471756.db2.gz NMILXLOPROLTLJ-QGZVFWFLSA-N 1 1 370.409 2.780 10 5 FFBEMO COc1cc(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000116669862 508544465 /nfs/dbraw/zinc/54/44/65/508544465.db2.gz MWNVDHDPTURDOD-UHFFFAOYSA-N 1 1 370.409 2.706 10 5 FFBEMO Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000123287127 508664627 /nfs/dbraw/zinc/66/46/27/508664627.db2.gz QTYRPPHPJWEDDU-UHFFFAOYSA-N 1 1 367.471 2.542 10 5 FFBEMO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191800722 509187697 /nfs/dbraw/zinc/18/76/97/509187697.db2.gz BQNWKGREMYYGGD-UHFFFAOYSA-N 1 1 364.446 2.541 10 5 FFBEMO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191800722 509187706 /nfs/dbraw/zinc/18/77/06/509187706.db2.gz BQNWKGREMYYGGD-UHFFFAOYSA-N 1 1 364.446 2.541 10 5 FFBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248760801 509474026 /nfs/dbraw/zinc/47/40/26/509474026.db2.gz JOOOIYZFZJBGPL-WBVHZDCISA-N 1 1 368.437 2.939 10 5 FFBEMO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192961816 509716657 /nfs/dbraw/zinc/71/66/57/509716657.db2.gz RKCYIHIBEWKXBN-HOTGVXAUSA-N 1 1 357.414 2.835 10 5 FFBEMO O=c1cc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c2c(ccc3ccccc32)o1 ZINC000173983235 509889204 /nfs/dbraw/zinc/88/92/04/509889204.db2.gz JPXHVUJIDDXWPI-SFHVURJKSA-N 1 1 364.445 2.853 10 5 FFBEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245459599 509948889 /nfs/dbraw/zinc/94/88/89/509948889.db2.gz DOTKZSOIKSIEQV-TZMCWYRMSA-N 1 1 368.865 2.991 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190573998 510216301 /nfs/dbraw/zinc/21/63/01/510216301.db2.gz FAGSUCVYMBWRFM-GOSISDBHSA-N 1 1 368.437 2.513 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000246068783 510275648 /nfs/dbraw/zinc/27/56/48/510275648.db2.gz CKRXAUNMQIWBIR-MFKMUULPSA-N 1 1 357.332 2.922 10 5 FFBEMO CCOC(=O)C1CCC(O)(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000190797447 510349634 /nfs/dbraw/zinc/34/96/34/510349634.db2.gz MEFKWRITJTXFKN-UHFFFAOYSA-N 1 1 350.415 2.511 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000175043220 510454945 /nfs/dbraw/zinc/45/49/45/510454945.db2.gz YJSVWGMRAKEWEG-NVXWUHKLSA-N 1 1 360.458 2.790 10 5 FFBEMO CC[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000117436137 728578439 /nfs/dbraw/zinc/57/84/39/728578439.db2.gz LNUKCFQBYYUVKM-CYBMUJFWSA-N 1 1 370.837 2.823 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000117436148 728578496 /nfs/dbraw/zinc/57/84/96/728578496.db2.gz ISYOFHVNQAYXQR-LBPRGKRZSA-N 1 1 370.837 2.823 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000117436148 728578497 /nfs/dbraw/zinc/57/84/97/728578497.db2.gz ISYOFHVNQAYXQR-LBPRGKRZSA-N 1 1 370.837 2.823 10 5 FFBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000588439650 964949681 /nfs/dbraw/zinc/94/96/81/964949681.db2.gz IAVYVQLROBPXFU-VDUFWMCCSA-N 1 1 373.453 2.711 10 5 FFBEMO Cc1cnn([C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000106225728 250258906 /nfs/dbraw/zinc/25/89/06/250258906.db2.gz RRAMOKRQTXKYGF-HNNXBMFYSA-N 1 1 357.414 2.765 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(n4cncn4)CC3)co2)cc1 ZINC000089891558 507879786 /nfs/dbraw/zinc/87/97/86/507879786.db2.gz XMWLXPHFDKAZMD-UHFFFAOYSA-N 1 1 354.370 2.678 10 5 FFBEMO Cn1cc([C@@H]2CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cn1 ZINC000153929980 508679523 /nfs/dbraw/zinc/67/95/23/508679523.db2.gz HKVGBDSBYMQRFG-CQSZACIVSA-N 1 1 353.382 2.973 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000160533868 508999479 /nfs/dbraw/zinc/99/94/79/508999479.db2.gz YTTKRXHWSIMSCN-UHFFFAOYSA-N 1 1 357.414 2.835 10 5 FFBEMO Cc1ccc([C@@H](C)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000151782432 509081968 /nfs/dbraw/zinc/08/19/68/509081968.db2.gz OAUBAUOTASBPRK-UZLBHIALSA-N 1 1 369.465 2.973 10 5 FFBEMO Cc1ccc([C@@H](C)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000151782432 509081973 /nfs/dbraw/zinc/08/19/73/509081973.db2.gz OAUBAUOTASBPRK-UZLBHIALSA-N 1 1 369.465 2.973 10 5 FFBEMO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000176428382 509505259 /nfs/dbraw/zinc/50/52/59/509505259.db2.gz VWCQMVOSAHWSAV-CYBMUJFWSA-N 1 1 365.430 2.894 10 5 FFBEMO Cc1c(NC(=O)CC[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000176428382 509505265 /nfs/dbraw/zinc/50/52/65/509505265.db2.gz VWCQMVOSAHWSAV-CYBMUJFWSA-N 1 1 365.430 2.894 10 5 FFBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173318730 509529102 /nfs/dbraw/zinc/52/91/02/509529102.db2.gz OXLDGQRETUJSKJ-MRXNPFEDSA-N 1 1 373.413 2.503 10 5 FFBEMO O=C(c1cc(N2CC[N@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000264916566 509774154 /nfs/dbraw/zinc/77/41/54/509774154.db2.gz KWSPIBNGHIXGSI-INIZCTEOSA-N 1 1 358.442 2.505 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190591096 510226980 /nfs/dbraw/zinc/22/69/80/510226980.db2.gz NFQWDWJTHGLCGY-SFHVURJKSA-N 1 1 368.437 2.513 10 5 FFBEMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246296679 510411970 /nfs/dbraw/zinc/41/19/70/510411970.db2.gz PIOAISFIRDQQTC-QFBILLFUSA-N 1 1 369.421 2.979 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000174974067 510414585 /nfs/dbraw/zinc/41/45/85/510414585.db2.gz YVKYTVLNQBVNBY-SJLPKXTDSA-N 1 1 360.458 2.872 10 5 FFBEMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000181561270 510474860 /nfs/dbraw/zinc/47/48/60/510474860.db2.gz ASDHEZFZODWCPP-SNVBAGLBSA-N 1 1 369.830 2.746 10 5 FFBEMO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195096807 510668502 /nfs/dbraw/zinc/66/85/02/510668502.db2.gz BWRMEZJEMZWRDH-MRXNPFEDSA-N 1 1 358.442 2.505 10 5 FFBEMO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195096807 510668504 /nfs/dbraw/zinc/66/85/04/510668504.db2.gz BWRMEZJEMZWRDH-MRXNPFEDSA-N 1 1 358.442 2.505 10 5 FFBEMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](C2CC2)CC1 ZINC000172346430 510682373 /nfs/dbraw/zinc/68/23/73/510682373.db2.gz WRFCADPLSZHNBB-LBPRGKRZSA-N 1 1 366.849 2.745 10 5 FFBEMO COc1ccccc1CC[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000104653646 1004729034 /nfs/dbraw/zinc/72/90/34/1004729034.db2.gz NGYQTVAUELGQKY-UHFFFAOYSA-N 1 1 357.366 2.643 10 5 FFBEMO COc1ccccc1CC[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000104653646 1004729043 /nfs/dbraw/zinc/72/90/43/1004729043.db2.gz NGYQTVAUELGQKY-UHFFFAOYSA-N 1 1 357.366 2.643 10 5 FFBEMO Cc1nn(C)c(C)c1C[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000106143110 250244180 /nfs/dbraw/zinc/24/41/80/250244180.db2.gz KFAIGLAONSZCHQ-HNNXBMFYSA-N 1 1 357.458 2.824 10 5 FFBEMO O=[N+]([O-])c1cccc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c1 ZINC000106150179 250244315 /nfs/dbraw/zinc/24/43/15/250244315.db2.gz IVQWYNJYIYAILQ-UHFFFAOYSA-N 1 1 357.414 2.563 10 5 FFBEMO O=[N+]([O-])c1cccc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c1 ZINC000106150179 250244318 /nfs/dbraw/zinc/24/43/18/250244318.db2.gz IVQWYNJYIYAILQ-UHFFFAOYSA-N 1 1 357.414 2.563 10 5 FFBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000113233553 508253234 /nfs/dbraw/zinc/25/32/34/508253234.db2.gz TVDROXUQFPOEJR-GOEBONIOSA-N 1 1 358.442 2.504 10 5 FFBEMO Cn1cc[nH+]c1CC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000121929296 508451774 /nfs/dbraw/zinc/45/17/74/508451774.db2.gz QNZDOHZVISTCBU-UHFFFAOYSA-N 1 1 371.441 2.612 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000117397415 508596595 /nfs/dbraw/zinc/59/65/95/508596595.db2.gz IMTSKNGPJZXUGD-GFCCVEGCSA-N 1 1 370.837 2.823 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000117397415 508596599 /nfs/dbraw/zinc/59/65/99/508596599.db2.gz IMTSKNGPJZXUGD-GFCCVEGCSA-N 1 1 370.837 2.823 10 5 FFBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000154132485 508722682 /nfs/dbraw/zinc/72/26/82/508722682.db2.gz OTDUBNDYPYAOQS-ZDUSSCGKSA-N 1 1 370.247 2.914 10 5 FFBEMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000140419817 508804543 /nfs/dbraw/zinc/80/45/43/508804543.db2.gz QZGQWOBQBCQIEH-SJKOYZFVSA-N 1 1 367.833 2.814 10 5 FFBEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000140419817 508804546 /nfs/dbraw/zinc/80/45/46/508804546.db2.gz QZGQWOBQBCQIEH-SJKOYZFVSA-N 1 1 367.833 2.814 10 5 FFBEMO CCOC(=O)c1ccnc(N2CCC[C@H](n3cc[nH+]c3CC)C2)c1[N+](=O)[O-] ZINC000150830977 508902969 /nfs/dbraw/zinc/90/29/69/508902969.db2.gz OKFDIURTFVVVMC-ZDUSSCGKSA-N 1 1 373.413 2.767 10 5 FFBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000160382021 508978315 /nfs/dbraw/zinc/97/83/15/508978315.db2.gz UVBJHSRTEQOKNY-QGZVFWFLSA-N 1 1 371.441 2.631 10 5 FFBEMO Cc1ccc([C@H](C)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000151782512 509081809 /nfs/dbraw/zinc/08/18/09/509081809.db2.gz OAUBAUOTASBPRK-JXFKEZNVSA-N 1 1 369.465 2.973 10 5 FFBEMO Cc1ccc([C@H](C)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000151782512 509081812 /nfs/dbraw/zinc/08/18/12/509081812.db2.gz OAUBAUOTASBPRK-JXFKEZNVSA-N 1 1 369.465 2.973 10 5 FFBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182375536 509201558 /nfs/dbraw/zinc/20/15/58/509201558.db2.gz UCHRXVRMDRMXMB-MFKMUULPSA-N 1 1 357.357 2.655 10 5 FFBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000177005102 509814576 /nfs/dbraw/zinc/81/45/76/509814576.db2.gz DYTOOKWKDRVFPS-KRWDZBQOSA-N 1 1 374.485 2.754 10 5 FFBEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245952523 510225934 /nfs/dbraw/zinc/22/59/34/510225934.db2.gz PREGGWWJPPEVLB-DYVFJYSZSA-N 1 1 357.414 2.591 10 5 FFBEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000178306270 510537874 /nfs/dbraw/zinc/53/78/74/510537874.db2.gz QKPCPTVLPKZTMJ-MRXNPFEDSA-N 1 1 358.398 2.631 10 5 FFBEMO O=C(CC[N@H+]1CC[C@@H](Oc2cccnc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181746177 510571851 /nfs/dbraw/zinc/57/18/51/510571851.db2.gz MLPZMWJUFJYZPP-OAHLLOKOSA-N 1 1 374.372 2.611 10 5 FFBEMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000246595727 510574905 /nfs/dbraw/zinc/57/49/05/510574905.db2.gz CWWBEHFVMHPKKJ-KHYOSLBOSA-N 1 1 361.442 2.857 10 5 FFBEMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000246595727 510574912 /nfs/dbraw/zinc/57/49/12/510574912.db2.gz CWWBEHFVMHPKKJ-KHYOSLBOSA-N 1 1 361.442 2.857 10 5 FFBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000175429298 510643533 /nfs/dbraw/zinc/64/35/33/510643533.db2.gz CKNZVUFXXHCKDX-AWEZNQCLSA-N 1 1 373.369 2.621 10 5 FFBEMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195273822 510751683 /nfs/dbraw/zinc/75/16/83/510751683.db2.gz ZBNVNOGFHONGEM-QGZVFWFLSA-N 1 1 370.453 2.952 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000172496654 510754846 /nfs/dbraw/zinc/75/48/46/510754846.db2.gz IQPATHVHVFDOFZ-CRAIPNDOSA-N 1 1 360.458 2.796 10 5 FFBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247284126 510855414 /nfs/dbraw/zinc/85/54/14/510855414.db2.gz SPACSSLXGRKBTK-DNVCBOLYSA-N 1 1 368.437 2.939 10 5 FFBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000247485374 510862757 /nfs/dbraw/zinc/86/27/57/510862757.db2.gz TVDROXUQFPOEJR-HOCLYGCPSA-N 1 1 358.442 2.504 10 5 FFBEMO Cc1c(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cccc1[N+](=O)[O-] ZINC000106150186 250243533 /nfs/dbraw/zinc/24/35/33/250243533.db2.gz ADSVZTGXMBUMGJ-UHFFFAOYSA-N 1 1 371.441 2.872 10 5 FFBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106068847 250227330 /nfs/dbraw/zinc/22/73/30/250227330.db2.gz ZIJAHUBWQKMROS-UHFFFAOYSA-N 1 1 371.441 2.884 10 5 FFBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000106068847 250227334 /nfs/dbraw/zinc/22/73/34/250227334.db2.gz ZIJAHUBWQKMROS-UHFFFAOYSA-N 1 1 371.441 2.884 10 5 FFBEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000106225579 250260129 /nfs/dbraw/zinc/26/01/29/250260129.db2.gz FEDMNMKCDDFHRN-WMLDXEAASA-N 1 1 357.414 2.764 10 5 FFBEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000106225579 250260132 /nfs/dbraw/zinc/26/01/32/250260132.db2.gz FEDMNMKCDDFHRN-WMLDXEAASA-N 1 1 357.414 2.764 10 5 FFBEMO C[N@H+]1CCO[C@H]2CN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000301668769 258062132 /nfs/dbraw/zinc/06/21/32/258062132.db2.gz PKVTXQNBVUTNKY-OLZOCXBDSA-N 1 1 365.739 2.786 10 5 FFBEMO C[N@H+]1CCO[C@@H]2CN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000301668768 258062271 /nfs/dbraw/zinc/06/22/71/258062271.db2.gz PKVTXQNBVUTNKY-CHWSQXEVSA-N 1 1 365.739 2.786 10 5 FFBEMO Cc1cc(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c(Cl)cc1[N+](=O)[O-] ZINC000301700746 258063565 /nfs/dbraw/zinc/06/35/65/258063565.db2.gz DIBUABBVSUCIMA-UONOGXRCSA-N 1 1 353.850 2.982 10 5 FFBEMO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000051385441 507767557 /nfs/dbraw/zinc/76/75/57/507767557.db2.gz QJKQEYUDONLLJV-CQSZACIVSA-N 1 1 358.423 2.639 10 5 FFBEMO CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000106867149 507825182 /nfs/dbraw/zinc/82/51/82/507825182.db2.gz JFGMSFQYRFUSHW-OAHLLOKOSA-N 1 1 365.430 2.823 10 5 FFBEMO CCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000106867149 507825185 /nfs/dbraw/zinc/82/51/85/507825185.db2.gz JFGMSFQYRFUSHW-OAHLLOKOSA-N 1 1 365.430 2.823 10 5 FFBEMO COc1ccccc1CC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000104709456 508342930 /nfs/dbraw/zinc/34/29/30/508342930.db2.gz CVTSIEDSFSFIMG-UHFFFAOYSA-N 1 1 369.421 2.667 10 5 FFBEMO COc1ccccc1CC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000104709456 508342931 /nfs/dbraw/zinc/34/29/31/508342931.db2.gz CVTSIEDSFSFIMG-UHFFFAOYSA-N 1 1 369.421 2.667 10 5 FFBEMO Cc1cccc(N2CCC(NC(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000116669696 508544794 /nfs/dbraw/zinc/54/47/94/508544794.db2.gz APTFAQYJRJSRSZ-UHFFFAOYSA-N 1 1 358.373 2.836 10 5 FFBEMO Cc1cc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000153611661 508607447 /nfs/dbraw/zinc/60/74/47/508607447.db2.gz YZQDVDLZXNFJTK-CQSZACIVSA-N 1 1 362.430 2.620 10 5 FFBEMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000120882448 509082781 /nfs/dbraw/zinc/08/27/81/509082781.db2.gz BVRQMIYEWUMHIV-GOSISDBHSA-N 1 1 360.458 2.797 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121382092 509170828 /nfs/dbraw/zinc/17/08/28/509170828.db2.gz GOVLNBXEPRZTGZ-ZWNOBZJWSA-N 1 1 368.231 2.666 10 5 FFBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000177186317 509924168 /nfs/dbraw/zinc/92/41/68/509924168.db2.gz CMLWXEVHMXHFFF-AWEZNQCLSA-N 1 1 353.382 2.886 10 5 FFBEMO O=C(CC[N@H+]1CCCN(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000183827454 509994663 /nfs/dbraw/zinc/99/46/63/509994663.db2.gz HLMAGOQHTNOLAC-UHFFFAOYSA-N 1 1 369.425 2.531 10 5 FFBEMO C[C@H](O)CN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000245690661 510088309 /nfs/dbraw/zinc/08/83/09/510088309.db2.gz BHFQKKAFUHLNOQ-CABCVRRESA-N 1 1 359.426 2.742 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171647320 510277100 /nfs/dbraw/zinc/27/71/00/510277100.db2.gz JKAVHAHILLWIAQ-HNNXBMFYSA-N 1 1 369.425 2.671 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171647320 510277107 /nfs/dbraw/zinc/27/71/07/510277107.db2.gz JKAVHAHILLWIAQ-HNNXBMFYSA-N 1 1 369.425 2.671 10 5 FFBEMO C[C@@H]1C[N@H+](C2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000177947330 510342432 /nfs/dbraw/zinc/34/24/32/510342432.db2.gz DUTBLWOMEUBCTJ-CYBMUJFWSA-N 1 1 353.850 2.933 10 5 FFBEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000195328083 510786972 /nfs/dbraw/zinc/78/69/72/510786972.db2.gz MNLDOUIKEKSRTM-CQSZACIVSA-N 1 1 360.439 2.838 10 5 FFBEMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000247036258 510812275 /nfs/dbraw/zinc/81/22/75/510812275.db2.gz QZGQWOBQBCQIEH-YVEFUNNKSA-N 1 1 367.833 2.814 10 5 FFBEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000247036258 510812280 /nfs/dbraw/zinc/81/22/80/510812280.db2.gz QZGQWOBQBCQIEH-YVEFUNNKSA-N 1 1 367.833 2.814 10 5 FFBEMO CCOc1cccc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1[N+](=O)[O-] ZINC000273861297 511635126 /nfs/dbraw/zinc/63/51/26/511635126.db2.gz MCOTXAUOHLBVMG-UHFFFAOYSA-N 1 1 373.457 2.666 10 5 FFBEMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000228829870 729549813 /nfs/dbraw/zinc/54/98/13/729549813.db2.gz QTFRHOKPMXUARR-JOYOIKCWSA-N 1 1 357.204 2.598 10 5 FFBEMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000228829870 729549815 /nfs/dbraw/zinc/54/98/15/729549815.db2.gz QTFRHOKPMXUARR-JOYOIKCWSA-N 1 1 357.204 2.598 10 5 FFBEMO COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000102695732 250118633 /nfs/dbraw/zinc/11/86/33/250118633.db2.gz RMKYVYDXQUEYCU-GFCCVEGCSA-N 1 1 359.382 2.901 10 5 FFBEMO C[C@@H]1C[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C[N@H+]1Cc1ccccc1 ZINC000301970314 258078497 /nfs/dbraw/zinc/07/84/97/258078497.db2.gz RFPGFZAVIGCOSW-ZBFHGGJFSA-N 1 1 366.425 2.960 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CN(C4CC4)CCO3)cs2)c1 ZINC000113338945 508261323 /nfs/dbraw/zinc/26/13/23/508261323.db2.gz RFDSCGZVBAXYDK-KRWDZBQOSA-N 1 1 374.466 2.671 10 5 FFBEMO CC[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1CCOC ZINC000153542888 508594021 /nfs/dbraw/zinc/59/40/21/508594021.db2.gz RAZFFVUNYDNSFH-QGZVFWFLSA-N 1 1 374.441 2.792 10 5 FFBEMO Cc1c([C@H](C)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000151788095 509083482 /nfs/dbraw/zinc/08/34/82/509083482.db2.gz COTLWQBJUWKGRR-LPHOPBHVSA-N 1 1 369.465 2.973 10 5 FFBEMO Cc1c([C@H](C)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000151788095 509083487 /nfs/dbraw/zinc/08/34/87/509083487.db2.gz COTLWQBJUWKGRR-LPHOPBHVSA-N 1 1 369.465 2.973 10 5 FFBEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000192240651 509421155 /nfs/dbraw/zinc/42/11/55/509421155.db2.gz KAXYPWMBHZOIAP-UHFFFAOYSA-N 1 1 364.446 2.622 10 5 FFBEMO CCn1cc(CN2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cn1 ZINC000183333269 509722936 /nfs/dbraw/zinc/72/29/36/509722936.db2.gz LMMAKNKDYUEJEH-UHFFFAOYSA-N 1 1 357.458 2.828 10 5 FFBEMO CCn1cc(C[N@@H+]2CCCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)cn1 ZINC000183333269 509722940 /nfs/dbraw/zinc/72/29/40/509722940.db2.gz LMMAKNKDYUEJEH-UHFFFAOYSA-N 1 1 357.458 2.828 10 5 FFBEMO CCn1cc(C[N@H+]2CCCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)cn1 ZINC000183333269 509722950 /nfs/dbraw/zinc/72/29/50/509722950.db2.gz LMMAKNKDYUEJEH-UHFFFAOYSA-N 1 1 357.458 2.828 10 5 FFBEMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177035596 509830739 /nfs/dbraw/zinc/83/07/39/509830739.db2.gz FBZPWHWYVSZSRO-GFCCVEGCSA-N 1 1 356.386 2.727 10 5 FFBEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177035596 509830748 /nfs/dbraw/zinc/83/07/48/509830748.db2.gz FBZPWHWYVSZSRO-GFCCVEGCSA-N 1 1 356.386 2.727 10 5 FFBEMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c2c(c1)COCO2 ZINC000171646850 510274402 /nfs/dbraw/zinc/27/44/02/510274402.db2.gz HXTUGTYPLQLXPD-CQSZACIVSA-N 1 1 370.409 2.790 10 5 FFBEMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+]1CCOC ZINC000174737310 510279995 /nfs/dbraw/zinc/27/99/95/510279995.db2.gz RFKPLMDUZUMKJY-GFCCVEGCSA-N 1 1 359.373 2.743 10 5 FFBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246182166 510344571 /nfs/dbraw/zinc/34/45/71/510344571.db2.gz UXOJTYYPCCQLCE-GJZGRUSLSA-N 1 1 369.425 2.751 10 5 FFBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246182166 510344577 /nfs/dbraw/zinc/34/45/77/510344577.db2.gz UXOJTYYPCCQLCE-GJZGRUSLSA-N 1 1 369.425 2.751 10 5 FFBEMO CC[N@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000175167345 510514437 /nfs/dbraw/zinc/51/44/37/510514437.db2.gz ZDZWPRDVMJQDMZ-MRXNPFEDSA-N 1 1 360.458 2.751 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246531918 510539487 /nfs/dbraw/zinc/53/94/87/510539487.db2.gz AJXRZHLGXAOZMU-HNAYVOBHSA-N 1 1 361.442 2.859 10 5 FFBEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000247552701 510865402 /nfs/dbraw/zinc/86/54/02/510865402.db2.gz FEDMNMKCDDFHRN-RHSMWYFYSA-N 1 1 357.414 2.764 10 5 FFBEMO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000247552701 510865403 /nfs/dbraw/zinc/86/54/03/510865403.db2.gz FEDMNMKCDDFHRN-RHSMWYFYSA-N 1 1 357.414 2.764 10 5 FFBEMO Nc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc1[N+](=O)[O-] ZINC000311703887 511778128 /nfs/dbraw/zinc/77/81/28/511778128.db2.gz UWZIBIQJWPVDAA-BFYDXBDKSA-N 1 1 353.426 2.895 10 5 FFBEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155112290 728820889 /nfs/dbraw/zinc/82/08/89/728820889.db2.gz OTXLPOCDCHJVJN-LLVKDONJSA-N 1 1 371.235 2.963 10 5 FFBEMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000140434553 728741468 /nfs/dbraw/zinc/74/14/68/728741468.db2.gz JTOHCOQZPBMCNI-SJKOYZFVSA-N 1 1 367.833 2.814 10 5 FFBEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000140434553 728741469 /nfs/dbraw/zinc/74/14/69/728741469.db2.gz JTOHCOQZPBMCNI-SJKOYZFVSA-N 1 1 367.833 2.814 10 5 FFBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000106150378 250242911 /nfs/dbraw/zinc/24/29/11/250242911.db2.gz JBLLUORUPAOBBN-UHFFFAOYSA-N 1 1 357.414 2.563 10 5 FFBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000106150378 250242914 /nfs/dbraw/zinc/24/29/14/250242914.db2.gz JBLLUORUPAOBBN-UHFFFAOYSA-N 1 1 357.414 2.563 10 5 FFBEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000106224901 250258500 /nfs/dbraw/zinc/25/85/00/250258500.db2.gz TYHQPCFDZDGAGC-MRXNPFEDSA-N 1 1 358.398 2.803 10 5 FFBEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000106224901 250258504 /nfs/dbraw/zinc/25/85/04/250258504.db2.gz TYHQPCFDZDGAGC-MRXNPFEDSA-N 1 1 358.398 2.803 10 5 FFBEMO O=[N+]([O-])c1cccnc1NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000301199233 258033460 /nfs/dbraw/zinc/03/34/60/258033460.db2.gz LMBOZRJAIKOROY-UHFFFAOYSA-N 1 1 359.405 2.753 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000301598450 258058009 /nfs/dbraw/zinc/05/80/09/258058009.db2.gz TYIIMYGVEGJWSE-MNOVXSKESA-N 1 1 355.236 2.815 10 5 FFBEMO Cc1[nH+]ccn1Cc1cccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000301864909 258071746 /nfs/dbraw/zinc/07/17/46/258071746.db2.gz BFBWFXQGANBDTM-UHFFFAOYSA-N 1 1 363.381 2.803 10 5 FFBEMO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[N@H+](C2CC2)CC1 ZINC000061605243 507627518 /nfs/dbraw/zinc/62/75/18/507627518.db2.gz IFSPINWGQHPROC-UHFFFAOYSA-N 1 1 358.442 2.505 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000113228137 508252059 /nfs/dbraw/zinc/25/20/59/508252059.db2.gz WZIGIVRRLXMKCP-GDBMZVCRSA-N 1 1 358.442 2.504 10 5 FFBEMO Cn1cc[nH+]c1CC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000121922916 508449489 /nfs/dbraw/zinc/44/94/89/508449489.db2.gz UWRAEXHLOWYIKC-UHFFFAOYSA-N 1 1 372.425 2.579 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116764593 508556600 /nfs/dbraw/zinc/55/66/00/508556600.db2.gz LFMOLASNCFSYJB-TZMCWYRMSA-N 1 1 367.833 2.712 10 5 FFBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000123063167 508630490 /nfs/dbraw/zinc/63/04/90/508630490.db2.gz UMNJSMXKJQRHET-CQSZACIVSA-N 1 1 359.386 2.805 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000120199610 508949078 /nfs/dbraw/zinc/94/90/78/508949078.db2.gz PCEYIUXHERPAOH-OAHLLOKOSA-N 1 1 364.446 2.786 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000120199610 508949079 /nfs/dbraw/zinc/94/90/79/508949079.db2.gz PCEYIUXHERPAOH-OAHLLOKOSA-N 1 1 364.446 2.786 10 5 FFBEMO CC[N@H+]1CCC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182641952 509346951 /nfs/dbraw/zinc/34/69/51/509346951.db2.gz OTXONTMVUPLZOP-GFCCVEGCSA-N 1 1 357.863 2.941 10 5 FFBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000179707879 509584591 /nfs/dbraw/zinc/58/45/91/509584591.db2.gz HVJIEIPVTOIQKH-HNNXBMFYSA-N 1 1 356.426 2.643 10 5 FFBEMO Cc1nc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000189822999 509771858 /nfs/dbraw/zinc/77/18/58/509771858.db2.gz XTOGNNOLWFPITI-ZFWWWQNUSA-N 1 1 363.439 2.937 10 5 FFBEMO Cc1nc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000189822999 509771864 /nfs/dbraw/zinc/77/18/64/509771864.db2.gz XTOGNNOLWFPITI-ZFWWWQNUSA-N 1 1 363.439 2.937 10 5 FFBEMO COc1ccc(OCC[N@H+]2CC[C@@H](CNc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000173779587 509772467 /nfs/dbraw/zinc/77/24/67/509772467.db2.gz XHVPUSRASYIQBG-HNNXBMFYSA-N 1 1 372.425 2.811 10 5 FFBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183792617 509978542 /nfs/dbraw/zinc/97/85/42/509978542.db2.gz UXEPBXKBAYGZKW-HNNXBMFYSA-N 1 1 369.425 2.529 10 5 FFBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183792617 509978546 /nfs/dbraw/zinc/97/85/46/509978546.db2.gz UXEPBXKBAYGZKW-HNNXBMFYSA-N 1 1 369.425 2.529 10 5 FFBEMO COc1cc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000245701454 510095145 /nfs/dbraw/zinc/09/51/45/510095145.db2.gz DDYXNEYRCSBFPA-KSSFIOAISA-N 1 1 350.415 2.739 10 5 FFBEMO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177705144 510208048 /nfs/dbraw/zinc/20/80/48/510208048.db2.gz BTLFLUBCJRCMMT-CYBMUJFWSA-N 1 1 354.838 2.603 10 5 FFBEMO CC[N@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177707656 510208329 /nfs/dbraw/zinc/20/83/29/510208329.db2.gz YMBHLINLQUNECP-ZDUSSCGKSA-N 1 1 354.838 2.603 10 5 FFBEMO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+]1CCOC ZINC000174737321 510280090 /nfs/dbraw/zinc/28/00/90/510280090.db2.gz RFKPLMDUZUMKJY-LBPRGKRZSA-N 1 1 359.373 2.743 10 5 FFBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181213816 510304322 /nfs/dbraw/zinc/30/43/22/510304322.db2.gz WYTBFEANFNQGDA-CYBMUJFWSA-N 1 1 372.381 2.560 10 5 FFBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246254382 510390947 /nfs/dbraw/zinc/39/09/47/510390947.db2.gz XDEZFYCTRWKHFP-JQWIXIFHSA-N 1 1 368.231 2.666 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000175057765 510463845 /nfs/dbraw/zinc/46/38/45/510463845.db2.gz IQICTMHCFIPVRF-GDBMZVCRSA-N 1 1 357.414 2.703 10 5 FFBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000194720197 510493772 /nfs/dbraw/zinc/49/37/72/510493772.db2.gz JOOOIYZFZJBGPL-RDJZCZTQSA-N 1 1 368.437 2.939 10 5 FFBEMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000175187103 510522948 /nfs/dbraw/zinc/52/29/48/510522948.db2.gz KKNIKQOSWJAAEM-UHFFFAOYSA-N 1 1 371.441 2.884 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000246609514 510582501 /nfs/dbraw/zinc/58/25/01/510582501.db2.gz ROCOZLYCQOIFOA-STQMWFEESA-N 1 1 362.386 2.510 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000175438274 510647033 /nfs/dbraw/zinc/64/70/33/510647033.db2.gz NMFVUGCBYNVUAU-UONOGXRCSA-N 1 1 362.386 2.510 10 5 FFBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000246987537 510784509 /nfs/dbraw/zinc/78/45/09/510784509.db2.gz LFMOLASNCFSYJB-JSGCOSHPSA-N 1 1 367.833 2.712 10 5 FFBEMO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000408114412 513001777 /nfs/dbraw/zinc/00/17/77/513001777.db2.gz XVAPHSMWJUYNKH-CABCVRRESA-N 1 1 360.458 2.607 10 5 FFBEMO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000408114412 513001780 /nfs/dbraw/zinc/00/17/80/513001780.db2.gz XVAPHSMWJUYNKH-CABCVRRESA-N 1 1 360.458 2.607 10 5 FFBEMO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000102928826 250127385 /nfs/dbraw/zinc/12/73/85/250127385.db2.gz NITSDRUCLHMMEA-HNNXBMFYSA-N 1 1 369.377 2.760 10 5 FFBEMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000102928826 250127390 /nfs/dbraw/zinc/12/73/90/250127390.db2.gz NITSDRUCLHMMEA-HNNXBMFYSA-N 1 1 369.377 2.760 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](Cn4cncn4)C3)co2)cc1 ZINC000089901666 507881376 /nfs/dbraw/zinc/88/13/76/507881376.db2.gz MJEQIKIQWBRFRZ-AWEZNQCLSA-N 1 1 368.397 2.754 10 5 FFBEMO CCc1csc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000090523715 507925455 /nfs/dbraw/zinc/92/54/55/507925455.db2.gz FZGVTVJQPWKDPO-ZDUSSCGKSA-N 1 1 362.455 2.655 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000113226806 508251863 /nfs/dbraw/zinc/25/18/63/508251863.db2.gz GGKMQPKBAQRGEM-NVXWUHKLSA-N 1 1 372.469 2.506 10 5 FFBEMO CCOCC[N@H+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1CC ZINC000106117003 508395485 /nfs/dbraw/zinc/39/54/85/508395485.db2.gz VZYKGDWXXOOCQF-MRXNPFEDSA-N 1 1 351.447 2.536 10 5 FFBEMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000116250188 508491096 /nfs/dbraw/zinc/49/10/96/508491096.db2.gz IIYDYADCQVECAL-MAUKXSAKSA-N 1 1 368.437 2.939 10 5 FFBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000128451348 508593956 /nfs/dbraw/zinc/59/39/56/508593956.db2.gz IYVPCZJODJGXKP-GFCCVEGCSA-N 1 1 367.356 2.700 10 5 FFBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000128451348 508593959 /nfs/dbraw/zinc/59/39/59/508593959.db2.gz IYVPCZJODJGXKP-GFCCVEGCSA-N 1 1 367.356 2.700 10 5 FFBEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000154575098 508812629 /nfs/dbraw/zinc/81/26/29/508812629.db2.gz AQEZSAOLUPZNHS-GUYCJALGSA-N 1 1 357.414 2.591 10 5 FFBEMO COc1ccc([C@H]2C[C@@H](C)[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000159839220 508899622 /nfs/dbraw/zinc/89/96/22/508899622.db2.gz NJNXWUOZGHQIGP-ZBFHGGJFSA-N 1 1 357.410 2.643 10 5 FFBEMO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1SC ZINC000155767737 509068156 /nfs/dbraw/zinc/06/81/56/509068156.db2.gz VLTYZZLLVCIEMG-YPMHNXCESA-N 1 1 367.471 2.784 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1CC ZINC000133436171 509159480 /nfs/dbraw/zinc/15/94/80/509159480.db2.gz BBZFSJVIKWUJPV-INIZCTEOSA-N 1 1 364.446 2.868 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)n2)c1 ZINC000248198189 509258598 /nfs/dbraw/zinc/25/85/98/509258598.db2.gz XTILOMBCBSSQHC-KBXCAEBGSA-N 1 1 358.398 2.772 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@]4(O)CCCC[C@H]4C3)n2)c1 ZINC000248198189 509258607 /nfs/dbraw/zinc/25/86/07/509258607.db2.gz XTILOMBCBSSQHC-KBXCAEBGSA-N 1 1 358.398 2.772 10 5 FFBEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000177595083 510151606 /nfs/dbraw/zinc/15/16/06/510151606.db2.gz VGJIPJDTRIZCJS-INIZCTEOSA-N 1 1 367.413 2.520 10 5 FFBEMO Cc1sc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190601961 510232329 /nfs/dbraw/zinc/23/23/29/510232329.db2.gz FDQOIHKBFAANNH-HNNXBMFYSA-N 1 1 374.466 2.954 10 5 FFBEMO Cc1c(F)cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000184947588 510599380 /nfs/dbraw/zinc/59/93/80/510599380.db2.gz NMXIUADDRRWQPP-CYBMUJFWSA-N 1 1 373.450 2.537 10 5 FFBEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246742173 510647666 /nfs/dbraw/zinc/64/76/66/510647666.db2.gz BALLVAGIJWENRH-HEHGZKQESA-N 1 1 351.472 2.920 10 5 FFBEMO C[C@H]1CCCN(c2ccc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000407952272 512974663 /nfs/dbraw/zinc/97/46/63/512974663.db2.gz GCDQICCCCCLTPC-DOTOQJQBSA-N 1 1 372.469 2.751 10 5 FFBEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408183070 513017153 /nfs/dbraw/zinc/01/71/53/513017153.db2.gz NUCRAUOYUZUFRK-RDJZCZTQSA-N 1 1 372.469 2.894 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1CC ZINC000116977144 728574853 /nfs/dbraw/zinc/57/48/53/728574853.db2.gz XRFBMYUMRPHZRH-ZDUSSCGKSA-N 1 1 369.849 2.821 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1CC ZINC000116977144 728574854 /nfs/dbraw/zinc/57/48/54/728574854.db2.gz XRFBMYUMRPHZRH-ZDUSSCGKSA-N 1 1 369.849 2.821 10 5 FFBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000106129746 250240204 /nfs/dbraw/zinc/24/02/04/250240204.db2.gz PPENZAPMTUDPIH-INIZCTEOSA-N 1 1 357.458 2.949 10 5 FFBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129746 250240210 /nfs/dbraw/zinc/24/02/10/250240210.db2.gz PPENZAPMTUDPIH-INIZCTEOSA-N 1 1 357.458 2.949 10 5 FFBEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000106177439 250250061 /nfs/dbraw/zinc/25/00/61/250250061.db2.gz AEQCKGVWJNSSTL-MRXNPFEDSA-N 1 1 359.430 2.594 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(Cn4cccn4)CC3)o2)cc1 ZINC000106185565 250251264 /nfs/dbraw/zinc/25/12/64/250251264.db2.gz WPCJHFHFWPFLNT-UHFFFAOYSA-N 1 1 368.397 2.754 10 5 FFBEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192551128 251288570 /nfs/dbraw/zinc/28/85/70/251288570.db2.gz CKNGVUBRTXXLLG-UHFFFAOYSA-N 1 1 370.475 2.684 10 5 FFBEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192541688 251284831 /nfs/dbraw/zinc/28/48/31/251284831.db2.gz VEBZMCQSMFOBCP-NSHDSACASA-N 1 1 353.473 2.775 10 5 FFBEMO COCC[N@H+]1CCN(c2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000301238604 258036025 /nfs/dbraw/zinc/03/60/25/258036025.db2.gz NHBCEKHHQJKCHB-HNNXBMFYSA-N 1 1 371.441 2.517 10 5 FFBEMO Cc1cc(N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c(Cl)cc1[N+](=O)[O-] ZINC000301700744 258063615 /nfs/dbraw/zinc/06/36/15/258063615.db2.gz DIBUABBVSUCIMA-KBPBESRZSA-N 1 1 353.850 2.982 10 5 FFBEMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000107296485 507842620 /nfs/dbraw/zinc/84/26/20/507842620.db2.gz LFESOQDQQJFSGX-MRXNPFEDSA-N 1 1 369.469 2.749 10 5 FFBEMO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1SC ZINC000113226920 508252436 /nfs/dbraw/zinc/25/24/36/508252436.db2.gz BWHQMLHRIRXADC-VXGBXAGGSA-N 1 1 365.455 2.634 10 5 FFBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114482928 508320363 /nfs/dbraw/zinc/32/03/63/508320363.db2.gz MLQCBQDTJFEBPV-INIZCTEOSA-N 1 1 373.413 2.882 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1CC ZINC000133638060 508428188 /nfs/dbraw/zinc/42/81/88/508428188.db2.gz UKSJRFAWHHEPEA-HNNXBMFYSA-N 1 1 364.446 2.868 10 5 FFBEMO CC[N@H+]1CCC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116753277 508555015 /nfs/dbraw/zinc/55/50/15/508555015.db2.gz UCECSGNCYOHMAP-CYBMUJFWSA-N 1 1 355.822 2.618 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1CC ZINC000116767767 508558577 /nfs/dbraw/zinc/55/85/77/508558577.db2.gz AKSKCXCKXSLOCO-CQSZACIVSA-N 1 1 374.441 2.649 10 5 FFBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000153855946 508663269 /nfs/dbraw/zinc/66/32/69/508663269.db2.gz BHKQGRCOTZJDSV-CQSZACIVSA-N 1 1 350.419 2.845 10 5 FFBEMO C[C@@H]1CCC[N@H+]1C1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000154966013 508894275 /nfs/dbraw/zinc/89/42/75/508894275.db2.gz MWLAZQSSLGQONZ-CQSZACIVSA-N 1 1 372.469 2.940 10 5 FFBEMO CCOC(=O)c1ccnc(N2CCC[C@@H](n3cc[nH+]c3CC)C2)c1[N+](=O)[O-] ZINC000150830952 508902958 /nfs/dbraw/zinc/90/29/58/508902958.db2.gz OKFDIURTFVVVMC-CYBMUJFWSA-N 1 1 373.413 2.767 10 5 FFBEMO Cc1c([C@@H](C)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000151788029 509083861 /nfs/dbraw/zinc/08/38/61/509083861.db2.gz COTLWQBJUWKGRR-APWZRJJASA-N 1 1 369.465 2.973 10 5 FFBEMO Cc1c([C@@H](C)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000151788029 509083864 /nfs/dbraw/zinc/08/38/64/509083864.db2.gz COTLWQBJUWKGRR-APWZRJJASA-N 1 1 369.465 2.973 10 5 FFBEMO CCn1cc(C2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cn1 ZINC000195500557 509193973 /nfs/dbraw/zinc/19/39/73/509193973.db2.gz BPKGFBOAFWTOGR-UHFFFAOYSA-N 1 1 371.441 2.938 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@]4(O)CCCC[C@H]4C3)o2)cc1 ZINC000248134421 509243159 /nfs/dbraw/zinc/24/31/59/509243159.db2.gz OVXWGWJWVSCMSR-KBXCAEBGSA-N 1 1 358.398 2.772 10 5 FFBEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000192268348 509434867 /nfs/dbraw/zinc/43/48/67/509434867.db2.gz MMCMAFZDUBFWLK-AWEZNQCLSA-N 1 1 364.446 2.622 10 5 FFBEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000192268348 509434874 /nfs/dbraw/zinc/43/48/74/509434874.db2.gz MMCMAFZDUBFWLK-AWEZNQCLSA-N 1 1 364.446 2.622 10 5 FFBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000177184020 509923956 /nfs/dbraw/zinc/92/39/56/509923956.db2.gz URKXABLNZZUMTQ-MRXNPFEDSA-N 1 1 369.425 2.979 10 5 FFBEMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000255715010 509933647 /nfs/dbraw/zinc/93/36/47/509933647.db2.gz CHAHDMUBMVQNKH-AFCDSYGPSA-N 1 1 353.426 2.999 10 5 FFBEMO Cc1cccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000190601387 510232721 /nfs/dbraw/zinc/23/27/21/510232721.db2.gz QVHJXCYXUUBFHQ-QGZVFWFLSA-N 1 1 368.437 2.892 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000190648877 510260550 /nfs/dbraw/zinc/26/05/50/510260550.db2.gz KGRXYQXIZITADM-INIZCTEOSA-N 1 1 354.410 2.584 10 5 FFBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000181284312 510338909 /nfs/dbraw/zinc/33/89/09/510338909.db2.gz FRGCPOPAQUYIFF-HNNXBMFYSA-N 1 1 356.426 2.915 10 5 FFBEMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000184614381 510419251 /nfs/dbraw/zinc/41/92/51/510419251.db2.gz DPGSUCKTQWIKLE-NSHDSACASA-N 1 1 358.320 2.926 10 5 FFBEMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000172177534 510584530 /nfs/dbraw/zinc/58/45/30/510584530.db2.gz RUCHFTVIPYPYND-UHFFFAOYSA-N 1 1 364.833 2.817 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000195299967 510771984 /nfs/dbraw/zinc/77/19/84/510771984.db2.gz GUZXBCRSROYVRM-SFHVURJKSA-N 1 1 370.453 2.823 10 5 FFBEMO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000195299967 510771986 /nfs/dbraw/zinc/77/19/86/510771986.db2.gz GUZXBCRSROYVRM-SFHVURJKSA-N 1 1 370.453 2.823 10 5 FFBEMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000195299967 510771992 /nfs/dbraw/zinc/77/19/92/510771992.db2.gz GUZXBCRSROYVRM-SFHVURJKSA-N 1 1 370.453 2.823 10 5 FFBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182239422 510829807 /nfs/dbraw/zinc/82/98/07/510829807.db2.gz QRLRCYVCUSMNHM-RDJZCZTQSA-N 1 1 374.441 2.522 10 5 FFBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000247524622 510864186 /nfs/dbraw/zinc/86/41/86/510864186.db2.gz WZIGIVRRLXMKCP-HOCLYGCPSA-N 1 1 358.442 2.504 10 5 FFBEMO COC(=O)[C@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000157820762 728877676 /nfs/dbraw/zinc/87/76/76/728877676.db2.gz JTMOTBNUAHXNRE-KOLCDFICSA-N 1 1 357.204 2.598 10 5 FFBEMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000157820762 728877679 /nfs/dbraw/zinc/87/76/79/728877679.db2.gz JTMOTBNUAHXNRE-KOLCDFICSA-N 1 1 357.204 2.598 10 5 FFBEMO CCC[NH+](CCC)CCc1cccc([N+](=O)[O-])c1CC(=O)C(=O)OCC ZINC000022005664 211334181 /nfs/dbraw/zinc/33/41/81/211334181.db2.gz WOOIUFZMYXSJNR-UHFFFAOYSA-N 1 1 364.442 2.934 10 5 FFBEMO Cc1ccc(N2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000106071728 250230663 /nfs/dbraw/zinc/23/06/63/250230663.db2.gz JBEJBSMACDSHTC-UHFFFAOYSA-N 1 1 371.441 2.674 10 5 FFBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106185983 250250620 /nfs/dbraw/zinc/25/06/20/250250620.db2.gz OZKVUPLIHSVFQM-AWEZNQCLSA-N 1 1 357.414 2.531 10 5 FFBEMO O=[N+]([O-])c1cc(C[NH+]2CCC(Cn3cccn3)CC2)c2c(c1)COCO2 ZINC000106185486 250251920 /nfs/dbraw/zinc/25/19/20/250251920.db2.gz OWCMVGXNQNBBPO-UHFFFAOYSA-N 1 1 358.398 2.570 10 5 FFBEMO Cc1cnn([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000106225589 250258429 /nfs/dbraw/zinc/25/84/29/250258429.db2.gz IZNFPVMOFAVFKN-QGZVFWFLSA-N 1 1 357.414 2.765 10 5 FFBEMO Cc1nn(C)c(C)c1C[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000121436685 250702247 /nfs/dbraw/zinc/70/22/47/250702247.db2.gz SJLLJINZCCZUDR-SOFGYWHQSA-N 1 1 369.469 2.776 10 5 FFBEMO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000181099220 251241896 /nfs/dbraw/zinc/24/18/96/251241896.db2.gz JPDMOTPNOYIIOQ-LBPRGKRZSA-N 1 1 355.341 2.507 10 5 FFBEMO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000181099220 251241900 /nfs/dbraw/zinc/24/19/00/251241900.db2.gz JPDMOTPNOYIIOQ-LBPRGKRZSA-N 1 1 355.341 2.507 10 5 FFBEMO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)nc(C)[nH+]1 ZINC000044714470 506879309 /nfs/dbraw/zinc/87/93/09/506879309.db2.gz MSWQBGGTPVRLIN-UHFFFAOYSA-N 1 1 364.409 2.876 10 5 FFBEMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072867070 507866781 /nfs/dbraw/zinc/86/67/81/507866781.db2.gz MSQDVLVZPKBRDU-IEBWSBKVSA-N 1 1 369.421 2.782 10 5 FFBEMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000109814671 507989239 /nfs/dbraw/zinc/98/92/39/507989239.db2.gz OHIGVXATNBJKGF-QGZVFWFLSA-N 1 1 355.394 2.711 10 5 FFBEMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000109814671 507989241 /nfs/dbraw/zinc/98/92/41/507989241.db2.gz OHIGVXATNBJKGF-QGZVFWFLSA-N 1 1 355.394 2.711 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000113233550 508253136 /nfs/dbraw/zinc/25/31/36/508253136.db2.gz TVDROXUQFPOEJR-GDBMZVCRSA-N 1 1 358.442 2.504 10 5 FFBEMO CC(C)(C)n1cc(CN2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000106144497 508396332 /nfs/dbraw/zinc/39/63/32/508396332.db2.gz XVNOQWQBJGKPDQ-UHFFFAOYSA-N 1 1 371.485 2.907 10 5 FFBEMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c2c(c1)COCO2 ZINC000152389392 508436020 /nfs/dbraw/zinc/43/60/20/508436020.db2.gz GDQIWYAADLBEEZ-QGZVFWFLSA-N 1 1 357.366 2.510 10 5 FFBEMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c2c(c1)COCO2 ZINC000152389392 508436022 /nfs/dbraw/zinc/43/60/22/508436022.db2.gz GDQIWYAADLBEEZ-QGZVFWFLSA-N 1 1 357.366 2.510 10 5 FFBEMO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000116246319 508491050 /nfs/dbraw/zinc/49/10/50/508491050.db2.gz VJTXZCKLPOVSLQ-MAUKXSAKSA-N 1 1 368.437 2.939 10 5 FFBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000153562358 508597830 /nfs/dbraw/zinc/59/78/30/508597830.db2.gz UWMDJLHCSPBKMW-AWEZNQCLSA-N 1 1 359.348 2.520 10 5 FFBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000153562358 508597834 /nfs/dbraw/zinc/59/78/34/508597834.db2.gz UWMDJLHCSPBKMW-AWEZNQCLSA-N 1 1 359.348 2.520 10 5 FFBEMO C[N@@H+](CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Cc1ccc(F)cc1 ZINC000160581304 509005610 /nfs/dbraw/zinc/00/56/10/509005610.db2.gz VVMNMBJFAPPZMJ-KRWDZBQOSA-N 1 1 373.432 2.747 10 5 FFBEMO CN(CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Cc1ccc(F)cc1 ZINC000160581304 509005611 /nfs/dbraw/zinc/00/56/11/509005611.db2.gz VVMNMBJFAPPZMJ-KRWDZBQOSA-N 1 1 373.432 2.747 10 5 FFBEMO CN(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Cc1ccc(F)cc1 ZINC000160581304 509005613 /nfs/dbraw/zinc/00/56/13/509005613.db2.gz VVMNMBJFAPPZMJ-KRWDZBQOSA-N 1 1 373.432 2.747 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@]4(O)CCCC[C@H]4C3)o2)cc1 ZINC000248134425 509244146 /nfs/dbraw/zinc/24/41/46/509244146.db2.gz OVXWGWJWVSCMSR-KSSFIOAISA-N 1 1 358.398 2.772 10 5 FFBEMO CCc1ccc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000162661198 509276328 /nfs/dbraw/zinc/27/63/28/509276328.db2.gz UNTJSQCYXRWHND-UHFFFAOYSA-N 1 1 356.426 2.986 10 5 FFBEMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000248701385 509442311 /nfs/dbraw/zinc/44/23/11/509442311.db2.gz NAUSFVVCWWQOOT-HUUCEWRRSA-N 1 1 360.458 2.904 10 5 FFBEMO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183333149 509722792 /nfs/dbraw/zinc/72/27/92/509722792.db2.gz FMARTIUHLAPTFX-UHFFFAOYSA-N 1 1 357.458 2.571 10 5 FFBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000177005085 509813947 /nfs/dbraw/zinc/81/39/47/509813947.db2.gz DYTOOKWKDRVFPS-QGZVFWFLSA-N 1 1 374.485 2.754 10 5 FFBEMO CCOc1cc(C(=O)N(C)C[C@H]2CCC[N@H+]2CC)c([N+](=O)[O-])cc1OC ZINC000177009175 509815537 /nfs/dbraw/zinc/81/55/37/509815537.db2.gz DOAACDWKADAHKX-CYBMUJFWSA-N 1 1 365.430 2.558 10 5 FFBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000177024175 509824716 /nfs/dbraw/zinc/82/47/16/509824716.db2.gz SIMQNOSYHDHOML-LBPRGKRZSA-N 1 1 370.247 2.914 10 5 FFBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000177200979 509934168 /nfs/dbraw/zinc/93/41/68/509934168.db2.gz WSUMPLWWAZTCGO-OAHLLOKOSA-N 1 1 360.439 2.883 10 5 FFBEMO CCn1cnnc1C1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184209262 510193274 /nfs/dbraw/zinc/19/32/74/510193274.db2.gz PRKZLDISCRBIQZ-UHFFFAOYSA-N 1 1 363.393 2.734 10 5 FFBEMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171646134 510274650 /nfs/dbraw/zinc/27/46/50/510274650.db2.gz VLIJUIHNWOWOFZ-LSDHHAIUSA-N 1 1 369.425 2.751 10 5 FFBEMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171646134 510274653 /nfs/dbraw/zinc/27/46/53/510274653.db2.gz VLIJUIHNWOWOFZ-LSDHHAIUSA-N 1 1 369.425 2.751 10 5 FFBEMO COc1cc(C[N@@H+]2CCCN(c3ccccn3)CC2)c([N+](=O)[O-])cc1F ZINC000184409166 510310881 /nfs/dbraw/zinc/31/08/81/510310881.db2.gz NUJCQCNGXYPFPW-UHFFFAOYSA-N 1 1 360.389 2.850 10 5 FFBEMO COc1cc(C[N@H+]2CCCN(c3ccccn3)CC2)c([N+](=O)[O-])cc1F ZINC000184409166 510310883 /nfs/dbraw/zinc/31/08/83/510310883.db2.gz NUJCQCNGXYPFPW-UHFFFAOYSA-N 1 1 360.389 2.850 10 5 FFBEMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246337172 510432906 /nfs/dbraw/zinc/43/29/06/510432906.db2.gz UBUDSOHOMVXJDQ-AUUYWEPGSA-N 1 1 367.409 2.902 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000175436856 510646121 /nfs/dbraw/zinc/64/61/21/510646121.db2.gz ROCOZLYCQOIFOA-QWHCGFSZSA-N 1 1 362.386 2.510 10 5 FFBEMO O=C(C[N@@H+]1CCC[C@H](c2nccs2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000195346634 510795497 /nfs/dbraw/zinc/79/54/97/510795497.db2.gz VWYQPJUQKYPRAV-AWEZNQCLSA-N 1 1 372.450 2.820 10 5 FFBEMO O=C(C[N@H+]1CCC[C@H](c2nccs2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000195346634 510795503 /nfs/dbraw/zinc/79/55/03/510795503.db2.gz VWYQPJUQKYPRAV-AWEZNQCLSA-N 1 1 372.450 2.820 10 5 FFBEMO C[C@H]1CCCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000408114417 513002927 /nfs/dbraw/zinc/00/29/27/513002927.db2.gz XVAPHSMWJUYNKH-GJZGRUSLSA-N 1 1 360.458 2.607 10 5 FFBEMO C[C@H]1CCCN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000408114417 513002932 /nfs/dbraw/zinc/00/29/32/513002932.db2.gz XVAPHSMWJUYNKH-GJZGRUSLSA-N 1 1 360.458 2.607 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000135173188 728736182 /nfs/dbraw/zinc/73/61/82/728736182.db2.gz VMHCRBMOBMYWTH-HNNXBMFYSA-N 1 1 369.849 2.821 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000135173188 728736183 /nfs/dbraw/zinc/73/61/83/728736183.db2.gz VMHCRBMOBMYWTH-HNNXBMFYSA-N 1 1 369.849 2.821 10 5 FFBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000076969200 210213934 /nfs/dbraw/zinc/21/39/34/210213934.db2.gz RWJZEBUAMXUTIX-OAHLLOKOSA-N 1 1 354.410 2.899 10 5 FFBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000076969200 210213938 /nfs/dbraw/zinc/21/39/38/210213938.db2.gz RWJZEBUAMXUTIX-OAHLLOKOSA-N 1 1 354.410 2.899 10 5 FFBEMO CC(C)c1nc2c(n1C)CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000106373576 250268463 /nfs/dbraw/zinc/26/84/63/250268463.db2.gz NFCZZZVQEWFIRQ-UHFFFAOYSA-N 1 1 371.441 2.839 10 5 FFBEMO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000051385444 507768028 /nfs/dbraw/zinc/76/80/28/507768028.db2.gz CMDDMHPZAFAPSD-AWEZNQCLSA-N 1 1 358.423 2.639 10 5 FFBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000109676281 507979877 /nfs/dbraw/zinc/97/98/77/507979877.db2.gz NCRUMEYOPQGOKR-ZDUSSCGKSA-N 1 1 373.369 2.739 10 5 FFBEMO COCC[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000106107051 508394045 /nfs/dbraw/zinc/39/40/45/508394045.db2.gz TUWAUKQHUJJPCG-OAHLLOKOSA-N 1 1 351.447 2.535 10 5 FFBEMO CCOCC[N@H+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1CC 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/nfs/dbraw/zinc/06/24/90/509062490.db2.gz WYUZSCSTTAWQFE-CABCVRRESA-N 1 1 370.331 2.618 10 5 FFBEMO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000179420378 509434214 /nfs/dbraw/zinc/43/42/14/509434214.db2.gz AVBFKOQGRZFVKW-NSHDSACASA-N 1 1 369.219 2.669 10 5 FFBEMO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000173271294 509493134 /nfs/dbraw/zinc/49/31/34/509493134.db2.gz ZAGZKDCKGUFOMR-VXGBXAGGSA-N 1 1 370.837 2.557 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000245422262 509921263 /nfs/dbraw/zinc/92/12/63/509921263.db2.gz IQICTMHCFIPVRF-HOCLYGCPSA-N 1 1 357.414 2.703 10 5 FFBEMO C[C@H](O)C[N@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000245729677 510111114 /nfs/dbraw/zinc/11/11/14/510111114.db2.gz JLMMSKSLMLDXEZ-CABCVRRESA-N 1 1 359.426 2.742 10 5 FFBEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247259087 510854453 /nfs/dbraw/zinc/85/44/53/510854453.db2.gz 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10 5 FFBEMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@H]1CCCCO1 ZINC000106866447 507824995 /nfs/dbraw/zinc/82/49/95/507824995.db2.gz DOGQRFKNSLYZED-OAHLLOKOSA-N 1 1 365.430 2.823 10 5 FFBEMO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@H]1CCCCO1 ZINC000106866447 507824998 /nfs/dbraw/zinc/82/49/98/507824998.db2.gz DOGQRFKNSLYZED-OAHLLOKOSA-N 1 1 365.430 2.823 10 5 FFBEMO COc1c(C)c[nH+]c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000110030429 508002393 /nfs/dbraw/zinc/00/23/93/508002393.db2.gz IGEUKVCVNGZXMQ-UHFFFAOYSA-N 1 1 356.426 2.937 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H]([C@@H]4CCCO4)C3)o2)c1 ZINC000152397522 508438679 /nfs/dbraw/zinc/43/86/79/508438679.db2.gz MEUPRJRPWLXLFY-WMZOPIPTSA-N 1 1 373.409 2.672 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H]([C@@H]4CCCO4)C3)o2)c1 ZINC000152397522 508438682 /nfs/dbraw/zinc/43/86/82/508438682.db2.gz MEUPRJRPWLXLFY-WMZOPIPTSA-N 1 1 373.409 2.672 10 5 FFBEMO Cc1c(CC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cccc1[N+](=O)[O-] ZINC000134007976 508480655 /nfs/dbraw/zinc/48/06/55/508480655.db2.gz GZPOUNMROGPWGJ-UHFFFAOYSA-N 1 1 356.426 2.661 10 5 FFBEMO CC[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1CCOC ZINC000153542983 508594174 /nfs/dbraw/zinc/59/41/74/508594174.db2.gz RAZFFVUNYDNSFH-KRWDZBQOSA-N 1 1 374.441 2.792 10 5 FFBEMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161031916 509062230 /nfs/dbraw/zinc/06/22/30/509062230.db2.gz WYUZSCSTTAWQFE-HUUCEWRRSA-N 1 1 370.331 2.618 10 5 FFBEMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161031916 509062233 /nfs/dbraw/zinc/06/22/33/509062233.db2.gz WYUZSCSTTAWQFE-HUUCEWRRSA-N 1 1 370.331 2.618 10 5 FFBEMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000161123010 509074140 /nfs/dbraw/zinc/07/41/40/509074140.db2.gz HZQDGKZXXRTNKY-ZIAGYGMSSA-N 1 1 370.331 2.618 10 5 FFBEMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000161123010 509074143 /nfs/dbraw/zinc/07/41/43/509074143.db2.gz HZQDGKZXXRTNKY-ZIAGYGMSSA-N 1 1 370.331 2.618 10 5 FFBEMO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000176428366 509505142 /nfs/dbraw/zinc/50/51/42/509505142.db2.gz VWCQMVOSAHWSAV-ZDUSSCGKSA-N 1 1 365.430 2.894 10 5 FFBEMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000176428366 509505148 /nfs/dbraw/zinc/50/51/48/509505148.db2.gz VWCQMVOSAHWSAV-ZDUSSCGKSA-N 1 1 365.430 2.894 10 5 FFBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000176760607 509677595 /nfs/dbraw/zinc/67/75/95/509677595.db2.gz KBUJOEZAFXQUCH-AWEZNQCLSA-N 1 1 359.386 2.805 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000183333020 509722714 /nfs/dbraw/zinc/72/27/14/509722714.db2.gz MTCSAEWZTICLJT-UHFFFAOYSA-N 1 1 357.458 2.696 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183333020 509722723 /nfs/dbraw/zinc/72/27/23/509722723.db2.gz MTCSAEWZTICLJT-UHFFFAOYSA-N 1 1 357.458 2.696 10 5 FFBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000177154053 509904876 /nfs/dbraw/zinc/90/48/76/509904876.db2.gz COXVGWVVRYRWOS-HNNXBMFYSA-N 1 1 358.398 2.560 10 5 FFBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000177153708 509905307 /nfs/dbraw/zinc/90/53/07/509905307.db2.gz GEMBJUWIMVVCML-OAHLLOKOSA-N 1 1 357.414 2.593 10 5 FFBEMO Cc1nn(C)c(C)c1C[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255882619 509937295 /nfs/dbraw/zinc/93/72/95/509937295.db2.gz SJLLJINZCCZUDR-VURMDHGXSA-N 1 1 369.469 2.776 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000245444828 509940539 /nfs/dbraw/zinc/94/05/39/509940539.db2.gz YJSVWGMRAKEWEG-RDJZCZTQSA-N 1 1 360.458 2.790 10 5 FFBEMO CCCn1cc(C[N@@H+]2CCCN(c3nc(C)ccc3[N+](=O)[O-])CC2)cn1 ZINC000178214730 510492126 /nfs/dbraw/zinc/49/21/26/510492126.db2.gz BWAFDJOGVJCDTH-UHFFFAOYSA-N 1 1 358.446 2.617 10 5 FFBEMO CCCn1cc(C[N@H+]2CCCN(c3nc(C)ccc3[N+](=O)[O-])CC2)cn1 ZINC000178214730 510492131 /nfs/dbraw/zinc/49/21/31/510492131.db2.gz BWAFDJOGVJCDTH-UHFFFAOYSA-N 1 1 358.446 2.617 10 5 FFBEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000246480931 510512673 /nfs/dbraw/zinc/51/26/73/510512673.db2.gz HLOXSIZZMBOMHU-CXAGYDPISA-N 1 1 372.400 2.769 10 5 FFBEMO COc1ccc(OCC[N@H+]2CCC[C@@H]2Cn2ccnc2C)c([N+](=O)[O-])c1 ZINC000178302429 510535864 /nfs/dbraw/zinc/53/58/64/510535864.db2.gz DQXXVLUIIBYVLM-OAHLLOKOSA-N 1 1 360.414 2.652 10 5 FFBEMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247172921 510848388 /nfs/dbraw/zinc/84/83/88/510848388.db2.gz JQXPSHBOZXCIFV-DNVCBOLYSA-N 1 1 368.437 2.939 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247288826 510855657 /nfs/dbraw/zinc/85/56/57/510855657.db2.gz TVCVTHRMRMHYQR-BEFAXECRSA-N 1 1 368.437 2.939 10 5 FFBEMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106185908 250251173 /nfs/dbraw/zinc/25/11/73/250251173.db2.gz RIXYIFZWBIMAJV-AWEZNQCLSA-N 1 1 357.414 2.531 10 5 FFBEMO Cc1cnn([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000106225592 250258922 /nfs/dbraw/zinc/25/89/22/250258922.db2.gz IZNFPVMOFAVFKN-KRWDZBQOSA-N 1 1 357.414 2.765 10 5 FFBEMO O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3C[N@@H+]3CCC[C@@H]3CO)ccc2c1 ZINC000301698786 258063471 /nfs/dbraw/zinc/06/34/71/258063471.db2.gz CLWRFSFWFRAZGL-DLBZAZTESA-N 1 1 356.426 2.569 10 5 FFBEMO Cn1cc(CN2CC[N@H+]3CCCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092615971 508087116 /nfs/dbraw/zinc/08/71/16/508087116.db2.gz DWDLYNGKYMZORY-GOSISDBHSA-N 1 1 355.442 2.665 10 5 FFBEMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000120180579 508944874 /nfs/dbraw/zinc/94/48/74/508944874.db2.gz CHAHDMUBMVQNKH-JZLODUJNSA-N 1 1 353.426 2.999 10 5 FFBEMO CCn1cc(C2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000195499341 509193897 /nfs/dbraw/zinc/19/38/97/509193897.db2.gz 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Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000106207856 250254717 /nfs/dbraw/zinc/25/47/17/250254717.db2.gz TWAJPDPJDGMKTA-FUHWJXTLSA-N 1 1 374.441 2.522 10 5 FFBEMO CCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000301407366 258047831 /nfs/dbraw/zinc/04/78/31/258047831.db2.gz VQXRFVJZRGVNSJ-UHFFFAOYSA-N 1 1 360.458 2.753 10 5 FFBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000152445738 508447434 /nfs/dbraw/zinc/44/74/34/508447434.db2.gz VZXINRWGYYJSRV-QGZVFWFLSA-N 1 1 371.441 2.943 10 5 FFBEMO Cn1cc[nH+]c1CC1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000121958360 508457376 /nfs/dbraw/zinc/45/73/76/508457376.db2.gz BSDZFFIRLWEPHK-AATRIKPKSA-N 1 1 354.410 2.823 10 5 FFBEMO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000116669530 508545045 /nfs/dbraw/zinc/54/50/45/508545045.db2.gz DMFIXMCMWOMELL-UHFFFAOYSA-N 1 1 370.409 2.706 10 5 FFBEMO COc1ccc(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000116670126 508545097 /nfs/dbraw/zinc/54/50/97/508545097.db2.gz OASRPKYNPZMYNJ-UHFFFAOYSA-N 1 1 370.409 2.706 10 5 FFBEMO Cc1nccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154588568 508815278 /nfs/dbraw/zinc/81/52/78/508815278.db2.gz JNKHRGHCIZLPPH-OAHLLOKOSA-N 1 1 357.414 2.593 10 5 FFBEMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000121178101 509145715 /nfs/dbraw/zinc/14/57/15/509145715.db2.gz JXSDWHOUTSKKMN-DLBZAZTESA-N 1 1 361.442 2.863 10 5 FFBEMO O=C(CC[N@H+]1CCO[C@H]2CCCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000248505959 509346033 /nfs/dbraw/zinc/34/60/33/509346033.db2.gz WMFFDRYFUDGBJM-CVEARBPZSA-N 1 1 351.378 2.706 10 5 FFBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000176760624 509677787 /nfs/dbraw/zinc/67/77/87/509677787.db2.gz KBUJOEZAFXQUCH-CQSZACIVSA-N 1 1 359.386 2.805 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245422457 509921438 /nfs/dbraw/zinc/92/14/38/509921438.db2.gz IVNPCOHICHNDGI-OCCSQVGLSA-N 1 1 366.849 2.745 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000245441362 509936098 /nfs/dbraw/zinc/93/60/98/509936098.db2.gz VISDCXCFPDAYPI-WBVHZDCISA-N 1 1 360.458 2.790 10 5 FFBEMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC ZINC000180835645 510135542 /nfs/dbraw/zinc/13/55/42/510135542.db2.gz CWMUMPARNGEORC-LLVKDONJSA-N 1 1 359.382 2.562 10 5 FFBEMO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000171408925 510142329 /nfs/dbraw/zinc/14/23/29/510142329.db2.gz DODADKWIHULHIK-JSGCOSHPSA-N 1 1 373.413 2.568 10 5 FFBEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000171408925 510142333 /nfs/dbraw/zinc/14/23/33/510142333.db2.gz DODADKWIHULHIK-JSGCOSHPSA-N 1 1 373.413 2.568 10 5 FFBEMO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000171408746 510142665 /nfs/dbraw/zinc/14/26/65/510142665.db2.gz KMKDEDVYELDRSM-JSGCOSHPSA-N 1 1 373.413 2.568 10 5 FFBEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000171408746 510142668 /nfs/dbraw/zinc/14/26/68/510142668.db2.gz KMKDEDVYELDRSM-JSGCOSHPSA-N 1 1 373.413 2.568 10 5 FFBEMO COc1cc(CN2CCC(Cc3[nH+]ccn3C)CC2)c([N+](=O)[O-])cc1F ZINC000184205229 510191551 /nfs/dbraw/zinc/19/15/51/510191551.db2.gz MXYGTKBTYGNHJH-UHFFFAOYSA-N 1 1 362.405 2.931 10 5 FFBEMO Cc1sc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190601946 510232351 /nfs/dbraw/zinc/23/23/51/510232351.db2.gz FDQOIHKBFAANNH-OAHLLOKOSA-N 1 1 374.466 2.954 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000190648897 510260068 /nfs/dbraw/zinc/26/00/68/510260068.db2.gz KGRXYQXIZITADM-MRXNPFEDSA-N 1 1 354.410 2.584 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190653232 510262983 /nfs/dbraw/zinc/26/29/83/510262983.db2.gz SQJYHLQEJZTPTG-QGZVFWFLSA-N 1 1 368.437 2.892 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000190665067 510271421 /nfs/dbraw/zinc/27/14/21/510271421.db2.gz VWHPSLXGRDDNLA-OAHLLOKOSA-N 1 1 372.400 2.723 10 5 FFBEMO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195042182 510644684 /nfs/dbraw/zinc/64/46/84/510644684.db2.gz OVUAUBJCQAUYDP-QGZVFWFLSA-N 1 1 372.469 2.508 10 5 FFBEMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195273813 510751771 /nfs/dbraw/zinc/75/17/71/510751771.db2.gz ZBNVNOGFHONGEM-KRWDZBQOSA-N 1 1 370.453 2.952 10 5 FFBEMO Cc1nccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000178753446 510754591 /nfs/dbraw/zinc/75/45/91/510754591.db2.gz LWLCGQVKRGXLIY-MRXNPFEDSA-N 1 1 371.441 2.901 10 5 FFBEMO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[N@H+]1C[C@H](C)O ZINC000247779474 510870438 /nfs/dbraw/zinc/87/04/38/510870438.db2.gz RMIGUYJQHPRLAW-RDJZCZTQSA-N 1 1 365.474 2.659 10 5 FFBEMO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000407952278 512974791 /nfs/dbraw/zinc/97/47/91/512974791.db2.gz GCDQICCCCCLTPC-NVXWUHKLSA-N 1 1 372.469 2.751 10 5 FFBEMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2COC)C[C@@H]1CC ZINC000175099725 729087046 /nfs/dbraw/zinc/08/70/46/729087046.db2.gz BOHFLPOGOLPLOD-INIZCTEOSA-N 1 1 351.447 2.678 10 5 FFBEMO COc1c(C)cc(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1C ZINC000101566297 508247645 /nfs/dbraw/zinc/24/76/45/508247645.db2.gz BANLXWJFIHEPOA-UHFFFAOYSA-N 1 1 357.410 2.951 10 5 FFBEMO COc1c(C)cc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1C ZINC000101566297 508247648 /nfs/dbraw/zinc/24/76/48/508247648.db2.gz BANLXWJFIHEPOA-UHFFFAOYSA-N 1 1 357.410 2.951 10 5 FFBEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000116244163 508490930 /nfs/dbraw/zinc/49/09/30/508490930.db2.gz DVUOHMSTOBEKOK-QAPCUYQASA-N 1 1 368.437 2.559 10 5 FFBEMO Cc1cccc(N2CCC(NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000116668903 508545009 /nfs/dbraw/zinc/54/50/09/508545009.db2.gz WVFOIKLGFDBVDE-UHFFFAOYSA-N 1 1 354.410 2.626 10 5 FFBEMO Cc1ccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3F)CC2)[nH+]c1 ZINC000157686511 508597123 /nfs/dbraw/zinc/59/71/23/508597123.db2.gz MRTCHIIWVSNMFE-UHFFFAOYSA-N 1 1 358.373 2.836 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1CC ZINC000119667396 508840081 /nfs/dbraw/zinc/84/00/81/508840081.db2.gz REFBLKKHZKSQSL-HNNXBMFYSA-N 1 1 364.446 2.868 10 5 FFBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503586 509197179 /nfs/dbraw/zinc/19/71/79/509197179.db2.gz PRDGSZRRSAAFPC-ZDUSSCGKSA-N 1 1 357.414 2.535 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@]4(O)CCCC[C@H]4C3)n2)c1 ZINC000248198190 509259406 /nfs/dbraw/zinc/25/94/06/509259406.db2.gz XTILOMBCBSSQHC-KSSFIOAISA-N 1 1 358.398 2.772 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@]4(O)CCCC[C@H]4C3)n2)c1 ZINC000248198190 509259414 /nfs/dbraw/zinc/25/94/14/509259414.db2.gz XTILOMBCBSSQHC-KSSFIOAISA-N 1 1 358.398 2.772 10 5 FFBEMO COc1cc(N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1NC(=O)OC(C)(C)C ZINC000219432888 509287543 /nfs/dbraw/zinc/28/75/43/509287543.db2.gz MASJCVYQNNTHPB-UHFFFAOYSA-N 1 1 366.418 2.702 10 5 FFBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000182754445 509410910 /nfs/dbraw/zinc/41/09/10/509410910.db2.gz ROHMEAGGGGGCSH-INIZCTEOSA-N 1 1 357.458 2.906 10 5 FFBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000182754445 509410924 /nfs/dbraw/zinc/41/09/24/509410924.db2.gz ROHMEAGGGGGCSH-INIZCTEOSA-N 1 1 357.458 2.906 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000253549513 509893382 /nfs/dbraw/zinc/89/33/82/509893382.db2.gz SGIILBRCUYPPGI-OCCSQVGLSA-N 1 1 370.409 2.547 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000245421029 509920073 /nfs/dbraw/zinc/92/00/73/509920073.db2.gz HTSHFVFUFKLFQG-KGLIPLIRSA-N 1 1 366.849 2.745 10 5 FFBEMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183831480 509995416 /nfs/dbraw/zinc/99/54/16/509995416.db2.gz RFESNGWWKQQFBX-HNNXBMFYSA-N 1 1 369.425 2.529 10 5 FFBEMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183831480 509995425 /nfs/dbraw/zinc/99/54/25/509995425.db2.gz RFESNGWWKQQFBX-HNNXBMFYSA-N 1 1 369.425 2.529 10 5 FFBEMO Cc1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000190639355 510255438 /nfs/dbraw/zinc/25/54/38/510255438.db2.gz SUIZKYLMXXMDKZ-QGZVFWFLSA-N 1 1 368.437 2.892 10 5 FFBEMO Cc1nccn1-c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000194240731 510276048 /nfs/dbraw/zinc/27/60/48/510276048.db2.gz YYKRZDOCJFCBAN-UHFFFAOYSA-N 1 1 368.353 2.682 10 5 FFBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181385089 510385671 /nfs/dbraw/zinc/38/56/71/510385671.db2.gz NBPQDZKSBJDRPA-ZDUSSCGKSA-N 1 1 371.393 2.574 10 5 FFBEMO CCCn1cc(C[N@@H+]2CCCN(c3cccc(OC)c3[N+](=O)[O-])CC2)cn1 ZINC000185373848 510826188 /nfs/dbraw/zinc/82/61/88/510826188.db2.gz UPVZCLRGYHOJSR-UHFFFAOYSA-N 1 1 373.457 2.922 10 5 FFBEMO CCCn1cc(C[N@H+]2CCCN(c3cccc(OC)c3[N+](=O)[O-])CC2)cn1 ZINC000185373848 510826197 /nfs/dbraw/zinc/82/61/97/510826197.db2.gz UPVZCLRGYHOJSR-UHFFFAOYSA-N 1 1 373.457 2.922 10 5 FFBEMO COC(=O)[C@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000162446471 728945400 /nfs/dbraw/zinc/94/54/00/728945400.db2.gz QTFRHOKPMXUARR-CABZTGNLSA-N 1 1 357.204 2.598 10 5 FFBEMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000162446471 728945402 /nfs/dbraw/zinc/94/54/02/728945402.db2.gz QTFRHOKPMXUARR-CABZTGNLSA-N 1 1 357.204 2.598 10 5 FFBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000106208300 250255598 /nfs/dbraw/zinc/25/55/98/250255598.db2.gz BOTPGZCOHBRVMP-KRWDZBQOSA-N 1 1 371.441 2.745 10 5 FFBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000106208300 250255600 /nfs/dbraw/zinc/25/56/00/250255600.db2.gz BOTPGZCOHBRVMP-KRWDZBQOSA-N 1 1 371.441 2.745 10 5 FFBEMO Cc1cnn([C@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000106225024 250258640 /nfs/dbraw/zinc/25/86/40/250258640.db2.gz GHAPNUZKUWRPDU-INIZCTEOSA-N 1 1 368.397 2.987 10 5 FFBEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000106225024 250258643 /nfs/dbraw/zinc/25/86/43/250258643.db2.gz GHAPNUZKUWRPDU-INIZCTEOSA-N 1 1 368.397 2.987 10 5 FFBEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000106225021 250259533 /nfs/dbraw/zinc/25/95/33/250259533.db2.gz GHAPNUZKUWRPDU-MRXNPFEDSA-N 1 1 368.397 2.987 10 5 FFBEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000106225021 250259537 /nfs/dbraw/zinc/25/95/37/250259537.db2.gz GHAPNUZKUWRPDU-MRXNPFEDSA-N 1 1 368.397 2.987 10 5 FFBEMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c(Br)c1 ZINC000301402637 258047471 /nfs/dbraw/zinc/04/74/71/258047471.db2.gz RGQJKNBADOAJQO-LBPRGKRZSA-N 1 1 356.220 2.632 10 5 FFBEMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](C3CC3)CCO2)c(Br)c1 ZINC000301402637 258047472 /nfs/dbraw/zinc/04/74/72/258047472.db2.gz RGQJKNBADOAJQO-LBPRGKRZSA-N 1 1 356.220 2.632 10 5 FFBEMO C[C@H]1C[N@H+](C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000137002523 508732030 /nfs/dbraw/zinc/73/20/30/508732030.db2.gz RQSNYCNFOCEYIL-LBPRGKRZSA-N 1 1 367.833 2.574 10 5 FFBEMO CCOCC[N@H+]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1CC ZINC000125516178 508993678 /nfs/dbraw/zinc/99/36/78/508993678.db2.gz YAPPVXNQDWRZKY-CYBMUJFWSA-N 1 1 355.410 2.680 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](N4CCOCC4)C3)o2)cc1 ZINC000120994050 509105116 /nfs/dbraw/zinc/10/51/16/509105116.db2.gz GTNYFDSZPFTMTH-QGZVFWFLSA-N 1 1 357.410 2.761 10 5 FFBEMO Cc1cc(N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000191800180 509188235 /nfs/dbraw/zinc/18/82/35/509188235.db2.gz CMSISPMPZATKAU-UHFFFAOYSA-N 1 1 364.446 2.541 10 5 FFBEMO Cc1cc(N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000191800180 509188245 /nfs/dbraw/zinc/18/82/45/509188245.db2.gz CMSISPMPZATKAU-UHFFFAOYSA-N 1 1 364.446 2.541 10 5 FFBEMO Cn1nccc1C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000195504401 509198378 /nfs/dbraw/zinc/19/83/78/509198378.db2.gz KBMQNAHXHFDUIQ-UHFFFAOYSA-N 1 1 368.397 2.758 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(c4cc[nH]n4)CC3)o2)cc1 ZINC000195506572 509199187 /nfs/dbraw/zinc/19/91/87/509199187.db2.gz LTZLUTSZCBSVNF-UHFFFAOYSA-N 1 1 354.370 2.748 10 5 FFBEMO Cc1c(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000190598583 510231449 /nfs/dbraw/zinc/23/14/49/510231449.db2.gz KSYVYPKPNJPOFH-QGZVFWFLSA-N 1 1 368.437 2.892 10 5 FFBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171647591 510277681 /nfs/dbraw/zinc/27/76/81/510277681.db2.gz UXOJTYYPCCQLCE-LSDHHAIUSA-N 1 1 369.425 2.751 10 5 FFBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171647591 510277688 /nfs/dbraw/zinc/27/76/88/510277688.db2.gz UXOJTYYPCCQLCE-LSDHHAIUSA-N 1 1 369.425 2.751 10 5 FFBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000246254563 510391913 /nfs/dbraw/zinc/39/19/13/510391913.db2.gz JVBWWCKRJGBNPS-NVXWUHKLSA-N 1 1 367.409 2.551 10 5 FFBEMO Cc1c(Br)cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000178800263 510779020 /nfs/dbraw/zinc/77/90/20/510779020.db2.gz KFHWRFAOHAOWFG-LBPRGKRZSA-N 1 1 368.231 2.586 10 5 FFBEMO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000247552695 510865480 /nfs/dbraw/zinc/86/54/80/510865480.db2.gz FEDMNMKCDDFHRN-PBHICJAKSA-N 1 1 357.414 2.764 10 5 FFBEMO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000247552695 510865481 /nfs/dbraw/zinc/86/54/81/510865481.db2.gz FEDMNMKCDDFHRN-PBHICJAKSA-N 1 1 357.414 2.764 10 5 FFBEMO Cc1nn(C)c(C)c1C[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000106143112 250243137 /nfs/dbraw/zinc/24/31/37/250243137.db2.gz KFAIGLAONSZCHQ-OAHLLOKOSA-N 1 1 357.458 2.824 10 5 FFBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000106208304 250255623 /nfs/dbraw/zinc/25/56/23/250255623.db2.gz BOTPGZCOHBRVMP-QGZVFWFLSA-N 1 1 371.441 2.745 10 5 FFBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000106208304 250255626 /nfs/dbraw/zinc/25/56/26/250255626.db2.gz BOTPGZCOHBRVMP-QGZVFWFLSA-N 1 1 371.441 2.745 10 5 FFBEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000106225448 250259219 /nfs/dbraw/zinc/25/92/19/250259219.db2.gz IXOMOXAECTVMAI-WMLDXEAASA-N 1 1 357.414 2.764 10 5 FFBEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000106225448 250259221 /nfs/dbraw/zinc/25/92/21/250259221.db2.gz IXOMOXAECTVMAI-WMLDXEAASA-N 1 1 357.414 2.764 10 5 FFBEMO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000106225582 250259593 /nfs/dbraw/zinc/25/95/93/250259593.db2.gz FEDMNMKCDDFHRN-YOEHRIQHSA-N 1 1 357.414 2.764 10 5 FFBEMO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000106225582 250259594 /nfs/dbraw/zinc/25/95/94/250259594.db2.gz FEDMNMKCDDFHRN-YOEHRIQHSA-N 1 1 357.414 2.764 10 5 FFBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000051377123 507765140 /nfs/dbraw/zinc/76/51/40/507765140.db2.gz IWRAMYLFKQUGGL-CYBMUJFWSA-N 1 1 360.439 2.932 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1CC ZINC000133637853 508427872 /nfs/dbraw/zinc/42/78/72/508427872.db2.gz UKSJRFAWHHEPEA-OAHLLOKOSA-N 1 1 364.446 2.868 10 5 FFBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)o1 ZINC000121010081 509109132 /nfs/dbraw/zinc/10/91/32/509109132.db2.gz SEMDYRWDDLCPLO-OAHLLOKOSA-N 1 1 357.410 2.761 10 5 FFBEMO CCCn1cc(C[N@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)cn1 ZINC000266804732 509203290 /nfs/dbraw/zinc/20/32/90/509203290.db2.gz CXMOSZOJYXNKBS-UHFFFAOYSA-N 1 1 358.446 2.617 10 5 FFBEMO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000245837290 510160329 /nfs/dbraw/zinc/16/03/29/510160329.db2.gz DODADKWIHULHIK-OCCSQVGLSA-N 1 1 373.413 2.568 10 5 FFBEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000245837290 510160335 /nfs/dbraw/zinc/16/03/35/510160335.db2.gz DODADKWIHULHIK-OCCSQVGLSA-N 1 1 373.413 2.568 10 5 FFBEMO C[C@H]1C[N@H+](C2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000177947343 510342166 /nfs/dbraw/zinc/34/21/66/510342166.db2.gz DUTBLWOMEUBCTJ-ZDUSSCGKSA-N 1 1 353.850 2.933 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000175043244 510455610 /nfs/dbraw/zinc/45/56/10/510455610.db2.gz YJSVWGMRAKEWEG-DOTOQJQBSA-N 1 1 360.458 2.790 10 5 FFBEMO Cc1ccc(N2CCC(NC(=O)NCc3ccccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000175170157 510516340 /nfs/dbraw/zinc/51/63/40/510516340.db2.gz OAGVZHGWWMIKDV-UHFFFAOYSA-N 1 1 369.425 2.766 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000246573746 510562851 /nfs/dbraw/zinc/56/28/51/510562851.db2.gz NMFVUGCBYNVUAU-KBPBESRZSA-N 1 1 362.386 2.510 10 5 FFBEMO O=C(CC[N@H+]1CC[C@H](Oc2cccnc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181746193 510571462 /nfs/dbraw/zinc/57/14/62/510571462.db2.gz MLPZMWJUFJYZPP-HNNXBMFYSA-N 1 1 374.372 2.611 10 5 FFBEMO Cc1nccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000178749250 510752568 /nfs/dbraw/zinc/75/25/68/510752568.db2.gz IQIWISLLTDAIJO-QGZVFWFLSA-N 1 1 371.441 2.901 10 5 FFBEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000178755060 510755226 /nfs/dbraw/zinc/75/52/26/510755226.db2.gz VAHHTIXUTOGQJQ-KRWDZBQOSA-N 1 1 371.441 2.901 10 5 FFBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000247495250 729598395 /nfs/dbraw/zinc/59/83/95/729598395.db2.gz XEHPVJJHHBBIBB-ZWNOBZJWSA-N 1 1 370.247 2.816 10 5 FFBEMO CCn1cc(C[N@H+]2CCCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cn1 ZINC000106158234 250245614 /nfs/dbraw/zinc/24/56/14/250245614.db2.gz SBTQJRSPJVGYLP-UHFFFAOYSA-N 1 1 373.457 2.528 10 5 FFBEMO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000051385443 507768365 /nfs/dbraw/zinc/76/83/65/507768365.db2.gz CMDDMHPZAFAPSD-CQSZACIVSA-N 1 1 358.423 2.639 10 5 FFBEMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072867066 507866696 /nfs/dbraw/zinc/86/66/96/507866696.db2.gz MSQDVLVZPKBRDU-PKOBYXMFSA-N 1 1 369.421 2.782 10 5 FFBEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000116251621 508491804 /nfs/dbraw/zinc/49/18/04/508491804.db2.gz SEQVZCBCLFGJPB-OCCSQVGLSA-N 1 1 360.439 2.692 10 5 FFBEMO Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000116250325 508492202 /nfs/dbraw/zinc/49/22/02/508492202.db2.gz XRJMBPDFAKXKAH-KSSFIOAISA-N 1 1 368.437 2.939 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122663951 508569281 /nfs/dbraw/zinc/56/92/81/508569281.db2.gz XDEZFYCTRWKHFP-ZYHUDNBSSA-N 1 1 368.231 2.666 10 5 FFBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000119565848 508819786 /nfs/dbraw/zinc/81/97/86/508819786.db2.gz ZJFOUWSWXJIPFR-GOSISDBHSA-N 1 1 371.441 2.631 10 5 FFBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000160498056 508995466 /nfs/dbraw/zinc/99/54/66/508995466.db2.gz CEZWKQIJCKAXFE-QGZVFWFLSA-N 1 1 371.441 2.631 10 5 FFBEMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000120614797 509031729 /nfs/dbraw/zinc/03/17/29/509031729.db2.gz JLMMSKSLMLDXEZ-LSDHHAIUSA-N 1 1 359.426 2.742 10 5 FFBEMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@H+]2CC)cc1OC ZINC000177037984 509831285 /nfs/dbraw/zinc/83/12/85/509831285.db2.gz JGAGOULLUMJCFJ-CYBMUJFWSA-N 1 1 365.430 2.558 10 5 FFBEMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183792636 509978029 /nfs/dbraw/zinc/97/80/29/509978029.db2.gz UXEPBXKBAYGZKW-OAHLLOKOSA-N 1 1 369.425 2.529 10 5 FFBEMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183792636 509978036 /nfs/dbraw/zinc/97/80/36/509978036.db2.gz UXEPBXKBAYGZKW-OAHLLOKOSA-N 1 1 369.425 2.529 10 5 FFBEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000245531774 509988097 /nfs/dbraw/zinc/98/80/97/509988097.db2.gz UCHRXVRMDRMXMB-GXFFZTMASA-N 1 1 357.357 2.655 10 5 FFBEMO O=[N+]([O-])c1ccc(CNC2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000194225513 510269913 /nfs/dbraw/zinc/26/99/13/510269913.db2.gz NXFKRSHZTBHANT-UHFFFAOYSA-N 1 1 371.397 2.652 10 5 FFBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171647309 510279059 /nfs/dbraw/zinc/27/90/59/510279059.db2.gz RITBYDRGIKJJKM-HNNXBMFYSA-N 1 1 369.425 2.671 10 5 FFBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171647309 510279068 /nfs/dbraw/zinc/27/90/68/510279068.db2.gz RITBYDRGIKJJKM-HNNXBMFYSA-N 1 1 369.425 2.671 10 5 FFBEMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000178499783 510632639 /nfs/dbraw/zinc/63/26/39/510632639.db2.gz QDCZTAPAGHDAOK-CYBMUJFWSA-N 1 1 368.231 2.668 10 5 FFBEMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000178499783 510632646 /nfs/dbraw/zinc/63/26/46/510632646.db2.gz QDCZTAPAGHDAOK-CYBMUJFWSA-N 1 1 368.231 2.668 10 5 FFBEMO Cc1csc([C@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000195328091 510786748 /nfs/dbraw/zinc/78/67/48/510786748.db2.gz MNLDOUIKEKSRTM-AWEZNQCLSA-N 1 1 360.439 2.838 10 5 FFBEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000247093625 510833441 /nfs/dbraw/zinc/83/34/41/510833441.db2.gz DVUOHMSTOBEKOK-CRAIPNDOSA-N 1 1 368.437 2.559 10 5 FFBEMO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171939064 729016198 /nfs/dbraw/zinc/01/61/98/729016198.db2.gz NRTOUCJNKRPOSS-SNVBAGLBSA-N 1 1 360.292 2.806 10 5 FFBEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000103475526 250152860 /nfs/dbraw/zinc/15/28/60/250152860.db2.gz PZOJFKGBRGRZPX-HNNXBMFYSA-N 1 1 359.430 2.855 10 5 FFBEMO CCc1[nH+]ccn1[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000106216379 250256418 /nfs/dbraw/zinc/25/64/18/250256418.db2.gz BEMOHZPCFWTGLK-MRXNPFEDSA-N 1 1 371.441 2.938 10 5 FFBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000302026044 258083061 /nfs/dbraw/zinc/08/30/61/258083061.db2.gz QESNTFOPOKRJRF-ZDUSSCGKSA-N 1 1 370.409 2.858 10 5 FFBEMO Cc1cc(N2CCC(Nc3cc(CO)ccc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000302021144 258082486 /nfs/dbraw/zinc/08/24/86/258082486.db2.gz FHUPCYSHMCNQGN-UHFFFAOYSA-N 1 1 357.414 2.575 10 5 FFBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000079494626 507967993 /nfs/dbraw/zinc/96/79/93/507967993.db2.gz 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Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374468 509280082 /nfs/dbraw/zinc/28/00/82/509280082.db2.gz QRLRCYVCUSMNHM-WBVHZDCISA-N 1 1 374.441 2.522 10 5 FFBEMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000173315190 509527213 /nfs/dbraw/zinc/52/72/13/509527213.db2.gz JCYIWZFNUISHHL-MRXNPFEDSA-N 1 1 373.413 2.503 10 5 FFBEMO COc1cc(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c([N+](=O)[O-])cc1OC ZINC000180126660 509766483 /nfs/dbraw/zinc/76/64/83/509766483.db2.gz BRMFNYRVMJSKHS-HNNXBMFYSA-N 1 1 360.414 2.782 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000253549509 509893280 /nfs/dbraw/zinc/89/32/80/509893280.db2.gz SGIILBRCUYPPGI-JSGCOSHPSA-N 1 1 370.409 2.547 10 5 FFBEMO Cn1cc(C[N@H+]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000255001244 509914135 /nfs/dbraw/zinc/91/41/35/509914135.db2.gz HFEYTTZLYNCELM-DAXSKMNVSA-N 1 1 355.442 2.549 10 5 FFBEMO Cn1cc(CN2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000255001244 509914137 /nfs/dbraw/zinc/91/41/37/509914137.db2.gz HFEYTTZLYNCELM-DAXSKMNVSA-N 1 1 355.442 2.549 10 5 FFBEMO Cn1cc(CN2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000255001244 509914139 /nfs/dbraw/zinc/91/41/39/509914139.db2.gz HFEYTTZLYNCELM-DAXSKMNVSA-N 1 1 355.442 2.549 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245420689 509920779 /nfs/dbraw/zinc/92/07/79/509920779.db2.gz HQLFJYWZZPTWRF-CVEARBPZSA-N 1 1 360.458 2.790 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000245440728 509935938 /nfs/dbraw/zinc/93/59/38/509935938.db2.gz UVDUDMHEEQISOR-ZBFHGGJFSA-N 1 1 357.414 2.703 10 5 FFBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000194519439 510406853 /nfs/dbraw/zinc/40/68/53/510406853.db2.gz UWPKVRXVEKLDFV-LBPRGKRZSA-N 1 1 370.409 2.988 10 5 FFBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246616735 510585819 /nfs/dbraw/zinc/58/58/19/510585819.db2.gz DVQDCTYODPXJGB-KXBFYZLASA-N 1 1 361.442 2.859 10 5 FFBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[N@H+](C2CC2)CC1 ZINC000172346258 510682016 /nfs/dbraw/zinc/68/20/16/510682016.db2.gz XSGNQUKPNQIRFP-ZDUSSCGKSA-N 1 1 357.414 2.876 10 5 FFBEMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000182225625 510823311 /nfs/dbraw/zinc/82/33/11/510823311.db2.gz ICAIXAUDQFONEB-KBPBESRZSA-N 1 1 363.439 2.671 10 5 FFBEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000247093639 510832900 /nfs/dbraw/zinc/83/29/00/510832900.db2.gz DVUOHMSTOBEKOK-MAUKXSAKSA-N 1 1 368.437 2.559 10 5 FFBEMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247556165 510865652 /nfs/dbraw/zinc/86/56/52/510865652.db2.gz UBVHTJNPPQNCFS-CRAIPNDOSA-N 1 1 368.437 2.939 10 5 FFBEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000177707198 729144061 /nfs/dbraw/zinc/14/40/61/729144061.db2.gz YTDXMAVRNCLXIM-GXTWGEPZSA-N 1 1 368.865 2.991 10 5 FFBEMO CCCn1cc(C[N@@H+]2CCCN(Cc3csc([N+](=O)[O-])c3)CC2)cn1 ZINC000106158527 250245498 /nfs/dbraw/zinc/24/54/98/250245498.db2.gz MVTHYSQSOCSSLW-UHFFFAOYSA-N 1 1 363.487 2.971 10 5 FFBEMO CCCn1cc(C[N@H+]2CCCN(Cc3csc([N+](=O)[O-])c3)CC2)cn1 ZINC000106158527 250245501 /nfs/dbraw/zinc/24/55/01/250245501.db2.gz MVTHYSQSOCSSLW-UHFFFAOYSA-N 1 1 363.487 2.971 10 5 FFBEMO C[C@H]1C[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C[N@H+]1Cc1ccccc1 ZINC000301970313 258078615 /nfs/dbraw/zinc/07/86/15/258078615.db2.gz RFPGFZAVIGCOSW-HOCLYGCPSA-N 1 1 366.425 2.960 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081569966 508191644 /nfs/dbraw/zinc/19/16/44/508191644.db2.gz DQROQDXVVSDTBC-ZDUSSCGKSA-N 1 1 365.430 2.894 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081569966 508191645 /nfs/dbraw/zinc/19/16/45/508191645.db2.gz DQROQDXVVSDTBC-ZDUSSCGKSA-N 1 1 365.430 2.894 10 5 FFBEMO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000116253036 508493281 /nfs/dbraw/zinc/49/32/81/508493281.db2.gz UBVHTJNPPQNCFS-YJBOKZPZSA-N 1 1 368.437 2.939 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1CC ZINC000119665586 508839710 /nfs/dbraw/zinc/83/97/10/508839710.db2.gz YAQZGFPXRZMZHZ-INIZCTEOSA-N 1 1 364.446 2.868 10 5 FFBEMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161031534 509062368 /nfs/dbraw/zinc/06/23/68/509062368.db2.gz WYUZSCSTTAWQFE-GJZGRUSLSA-N 1 1 370.331 2.618 10 5 FFBEMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000161031534 509062371 /nfs/dbraw/zinc/06/23/71/509062371.db2.gz WYUZSCSTTAWQFE-GJZGRUSLSA-N 1 1 370.331 2.618 10 5 FFBEMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503251 509195285 /nfs/dbraw/zinc/19/52/85/509195285.db2.gz TVZINTPMRQKONG-CYBMUJFWSA-N 1 1 357.414 2.535 10 5 FFBEMO Cn1nccc1C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000195504483 509197580 /nfs/dbraw/zinc/19/75/80/509197580.db2.gz CAVUUKDJGBNJLR-UHFFFAOYSA-N 1 1 368.397 2.758 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267464848 509498487 /nfs/dbraw/zinc/49/84/87/509498487.db2.gz LLXHEHSDRLSFPF-PWSUYJOCSA-N 1 1 368.231 2.666 10 5 FFBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000177026668 509826493 /nfs/dbraw/zinc/82/64/93/509826493.db2.gz UTPSJYBOHXDCBF-MRXNPFEDSA-N 1 1 360.458 2.751 10 5 FFBEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193519157 509948023 /nfs/dbraw/zinc/94/80/23/509948023.db2.gz RLLWEVVYDJVPLW-CYBMUJFWSA-N 1 1 361.471 2.900 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190626022 510247733 /nfs/dbraw/zinc/24/77/33/510247733.db2.gz ZMOFHLVMWMAAMX-INIZCTEOSA-N 1 1 354.410 2.584 10 5 FFBEMO Cn1cc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1 ZINC000181682927 510537190 /nfs/dbraw/zinc/53/71/90/510537190.db2.gz FNQWRLJNCBVPKZ-MRXNPFEDSA-N 1 1 361.377 2.633 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000246576149 510564715 /nfs/dbraw/zinc/56/47/15/510564715.db2.gz NMFVUGCBYNVUAU-KGLIPLIRSA-N 1 1 362.386 2.510 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)n2)cc1 ZINC000246735934 510643167 /nfs/dbraw/zinc/64/31/67/510643167.db2.gz GKZRSYIZHSOFAZ-KBXCAEBGSA-N 1 1 358.398 2.772 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@]4(O)CCCC[C@H]4C3)n2)cc1 ZINC000246735934 510643172 /nfs/dbraw/zinc/64/31/72/510643172.db2.gz GKZRSYIZHSOFAZ-KBXCAEBGSA-N 1 1 358.398 2.772 10 5 FFBEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000247258836 510854387 /nfs/dbraw/zinc/85/43/87/510854387.db2.gz QFQSEWKERRVCEL-RHSMWYFYSA-N 1 1 354.410 2.630 10 5 FFBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247807843 510870950 /nfs/dbraw/zinc/87/09/50/510870950.db2.gz TWAJPDPJDGMKTA-SJLPKXTDSA-N 1 1 374.441 2.522 10 5 FFBEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408183068 513016260 /nfs/dbraw/zinc/01/62/60/513016260.db2.gz NUCRAUOYUZUFRK-DOTOQJQBSA-N 1 1 372.469 2.894 10 5 FFBEMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2COC)C[C@H]1CC ZINC000175099707 729086988 /nfs/dbraw/zinc/08/69/88/729086988.db2.gz BOHFLPOGOLPLOD-MRXNPFEDSA-N 1 1 351.447 2.678 10 5 FFBEMO COc1cc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000093585548 250038534 /nfs/dbraw/zinc/03/85/34/250038534.db2.gz DDYXNEYRCSBFPA-RDTXWAMCSA-N 1 1 350.415 2.739 10 5 FFBEMO CC[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C[C@@H](C)O ZINC000153539483 251150432 /nfs/dbraw/zinc/15/04/32/251150432.db2.gz TXQAHJAGLGIUHZ-RHSMWYFYSA-N 1 1 374.441 2.527 10 5 FFBEMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](Oc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000152450957 508448944 /nfs/dbraw/zinc/44/89/44/508448944.db2.gz IAQGSDAZAMYLPC-INIZCTEOSA-N 1 1 370.409 2.780 10 5 FFBEMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000116244573 508490935 /nfs/dbraw/zinc/49/09/35/508490935.db2.gz JQXPSHBOZXCIFV-HNAYVOBHSA-N 1 1 368.437 2.939 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1CC ZINC000116771704 508557906 /nfs/dbraw/zinc/55/79/06/508557906.db2.gz HBDGVKFNPNLNCR-AWEZNQCLSA-N 1 1 369.849 2.821 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1CC ZINC000116771704 508557908 /nfs/dbraw/zinc/55/79/08/508557908.db2.gz HBDGVKFNPNLNCR-AWEZNQCLSA-N 1 1 369.849 2.821 10 5 FFBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000123367919 508676292 /nfs/dbraw/zinc/67/62/92/508676292.db2.gz IITQSYFXSMPVTE-SFHVURJKSA-N 1 1 357.458 2.911 10 5 FFBEMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000136896552 508722865 /nfs/dbraw/zinc/72/28/65/508722865.db2.gz PIOAISFIRDQQTC-APWZRJJASA-N 1 1 369.421 2.979 10 5 FFBEMO Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000140526028 508806374 /nfs/dbraw/zinc/80/63/74/508806374.db2.gz KSCYIQDUJVDUIX-BEFAXECRSA-N 1 1 361.442 2.859 10 5 FFBEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000154575210 508812765 /nfs/dbraw/zinc/81/27/65/508812765.db2.gz AQEZSAOLUPZNHS-SUMWQHHRSA-N 1 1 357.414 2.591 10 5 FFBEMO Cn1cc[nH+]c1CC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000125261179 508956542 /nfs/dbraw/zinc/95/65/42/508956542.db2.gz OZYUTYMLAINHHT-UHFFFAOYSA-N 1 1 371.441 2.535 10 5 FFBEMO CCOCC[N@H+]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1CC ZINC000125516333 508993326 /nfs/dbraw/zinc/99/33/26/508993326.db2.gz YAPPVXNQDWRZKY-ZDUSSCGKSA-N 1 1 355.410 2.680 10 5 FFBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000248373339 509279033 /nfs/dbraw/zinc/27/90/33/509279033.db2.gz ICAIXAUDQFONEB-ZIAGYGMSSA-N 1 1 363.439 2.671 10 5 FFBEMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000173315180 509526083 /nfs/dbraw/zinc/52/60/83/509526083.db2.gz JCYIWZFNUISHHL-INIZCTEOSA-N 1 1 373.413 2.503 10 5 FFBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000177167894 509914156 /nfs/dbraw/zinc/91/41/56/509914156.db2.gz ITRKWOPGOWDWBM-OAHLLOKOSA-N 1 1 362.817 2.987 10 5 FFBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000245675153 510075540 /nfs/dbraw/zinc/07/55/40/510075540.db2.gz GOVLNBXEPRZTGZ-GWCFXTLKSA-N 1 1 368.231 2.666 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000190448540 510137935 /nfs/dbraw/zinc/13/79/35/510137935.db2.gz YNCZTUKXHSGTNF-CQSZACIVSA-N 1 1 361.833 2.997 10 5 FFBEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000190544655 510195972 /nfs/dbraw/zinc/19/59/72/510195972.db2.gz OLRNPFLYSXMQGP-CQSZACIVSA-N 1 1 374.466 2.954 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190591119 510227941 /nfs/dbraw/zinc/22/79/41/510227941.db2.gz 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FFBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000246626876 510590414 /nfs/dbraw/zinc/59/04/14/510590414.db2.gz IURQQOVGVFJYIK-FHLIZLRMSA-N 1 1 364.348 2.714 10 5 FFBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000246626876 510590422 /nfs/dbraw/zinc/59/04/22/510590422.db2.gz IURQQOVGVFJYIK-FHLIZLRMSA-N 1 1 364.348 2.714 10 5 FFBEMO C[C@@H]1C[N@H+](C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CCO1 ZINC000182080365 510746058 /nfs/dbraw/zinc/74/60/58/510746058.db2.gz DAXVQULHKUSAGT-CYBMUJFWSA-N 1 1 353.850 2.933 10 5 FFBEMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000195272094 510750343 /nfs/dbraw/zinc/75/03/43/510750343.db2.gz VILCDCVLGPSPMJ-SFHVURJKSA-N 1 1 370.453 2.823 10 5 FFBEMO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000195272094 510750352 /nfs/dbraw/zinc/75/03/52/510750352.db2.gz VILCDCVLGPSPMJ-SFHVURJKSA-N 1 1 370.453 2.823 10 5 FFBEMO 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ZINC000123062972 508630180 /nfs/dbraw/zinc/63/01/80/508630180.db2.gz UMNJSMXKJQRHET-AWEZNQCLSA-N 1 1 359.386 2.805 10 5 FFBEMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000140422817 508804369 /nfs/dbraw/zinc/80/43/69/508804369.db2.gz CWWBEHFVMHPKKJ-QMTMVMCOSA-N 1 1 361.442 2.857 10 5 FFBEMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000140422817 508804371 /nfs/dbraw/zinc/80/43/71/508804371.db2.gz CWWBEHFVMHPKKJ-QMTMVMCOSA-N 1 1 361.442 2.857 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000120199473 508948270 /nfs/dbraw/zinc/94/82/70/508948270.db2.gz PCEYIUXHERPAOH-HNNXBMFYSA-N 1 1 364.446 2.786 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000120199473 508948272 /nfs/dbraw/zinc/94/82/72/508948272.db2.gz PCEYIUXHERPAOH-HNNXBMFYSA-N 1 1 364.446 2.786 10 5 FFBEMO Cc1c(NC(=O)CC[NH+]2CCC(c3ccn[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000160534143 508999457 /nfs/dbraw/zinc/99/94/57/508999457.db2.gz UWBLXWYGEDLMLJ-UHFFFAOYSA-N 1 1 357.414 2.835 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)cs2)c1 ZINC000120960574 509097508 /nfs/dbraw/zinc/09/75/08/509097508.db2.gz ZLAWTBSSFQZLIA-QGZVFWFLSA-N 1 1 374.466 2.625 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@H](N4CCOCC4)C3)cs2)c1 ZINC000120960574 509097512 /nfs/dbraw/zinc/09/75/12/509097512.db2.gz ZLAWTBSSFQZLIA-QGZVFWFLSA-N 1 1 374.466 2.625 10 5 FFBEMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000121178522 509145798 /nfs/dbraw/zinc/14/57/98/509145798.db2.gz JXSDWHOUTSKKMN-SJORKVTESA-N 1 1 361.442 2.863 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000248409514 509302774 /nfs/dbraw/zinc/30/27/74/509302774.db2.gz GCMUUCPASOUYKJ-MNOVXSKESA-N 1 1 368.231 2.666 10 5 FFBEMO C[C@@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173315864 509527396 /nfs/dbraw/zinc/52/73/96/509527396.db2.gz ONUBAVLLWQOWCN-QRWLVFNGSA-N 1 1 355.438 2.665 10 5 FFBEMO C[C@@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173315864 509527401 /nfs/dbraw/zinc/52/74/01/509527401.db2.gz ONUBAVLLWQOWCN-QRWLVFNGSA-N 1 1 355.438 2.665 10 5 FFBEMO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245402245 509904692 /nfs/dbraw/zinc/90/46/92/509904692.db2.gz HKNKYNWBEQBXBS-DGCLKSJQSA-N 1 1 360.370 2.591 10 5 FFBEMO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245402245 509904700 /nfs/dbraw/zinc/90/47/00/509904700.db2.gz HKNKYNWBEQBXBS-DGCLKSJQSA-N 1 1 360.370 2.591 10 5 FFBEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000193912063 510125179 /nfs/dbraw/zinc/12/51/79/510125179.db2.gz LGWKTLXCNDLIPU-CQSZACIVSA-N 1 1 374.401 2.624 10 5 FFBEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000193912063 510125185 /nfs/dbraw/zinc/12/51/85/510125185.db2.gz LGWKTLXCNDLIPU-CQSZACIVSA-N 1 1 374.401 2.624 10 5 FFBEMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000180951352 510202572 /nfs/dbraw/zinc/20/25/72/510202572.db2.gz UPHBWMVUHBUESH-HNNXBMFYSA-N 1 1 373.434 2.768 10 5 FFBEMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246184675 510346415 /nfs/dbraw/zinc/34/64/15/510346415.db2.gz VLIJUIHNWOWOFZ-CABCVRRESA-N 1 1 369.425 2.751 10 5 FFBEMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246184675 510346421 /nfs/dbraw/zinc/34/64/21/510346421.db2.gz VLIJUIHNWOWOFZ-CABCVRRESA-N 1 1 369.425 2.751 10 5 FFBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000172496659 510754802 /nfs/dbraw/zinc/75/48/02/510754802.db2.gz IQPATHVHVFDOFZ-MAUKXSAKSA-N 1 1 360.458 2.796 10 5 FFBEMO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C[C@H](C)O ZINC000247706335 510869029 /nfs/dbraw/zinc/86/90/29/510869029.db2.gz ZAGZKDCKGUFOMR-NWDGAFQWSA-N 1 1 370.837 2.557 10 5 FFBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000588446828 965045330 /nfs/dbraw/zinc/04/53/30/965045330.db2.gz ULYFLPCRDHAGDY-PEZBUJJGSA-N 1 1 361.442 2.567 10 5 FFBEMO COc1cc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c([N+](=O)[O-])cc1OC ZINC000092812645 250002590 /nfs/dbraw/zinc/00/25/90/250002590.db2.gz DWMXLBBPJFBFHL-AWEZNQCLSA-N 1 1 372.425 2.941 10 5 FFBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000153472527 251141940 /nfs/dbraw/zinc/14/19/40/251141940.db2.gz UBBLEHWMTACONW-CYBMUJFWSA-N 1 1 373.375 2.768 10 5 FFBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000153472527 251141944 /nfs/dbraw/zinc/14/19/44/251141944.db2.gz UBBLEHWMTACONW-CYBMUJFWSA-N 1 1 373.375 2.768 10 5 FFBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000109676487 507979776 /nfs/dbraw/zinc/97/97/76/507979776.db2.gz HYSZWWKNKALWPF-GFCCVEGCSA-N 1 1 361.377 2.552 10 5 FFBEMO Cn1cc[nH+]c1CC1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000122009725 508466731 /nfs/dbraw/zinc/46/67/31/508466731.db2.gz BCWHXOIBZXDFPU-VOTSOKGWSA-N 1 1 354.410 2.823 10 5 FFBEMO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000116244576 508490922 /nfs/dbraw/zinc/49/09/22/508490922.db2.gz JQXPSHBOZXCIFV-KXBFYZLASA-N 1 1 368.437 2.939 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116251829 508491718 /nfs/dbraw/zinc/49/17/18/508491718.db2.gz TVCVTHRMRMHYQR-KXBFYZLASA-N 1 1 368.437 2.939 10 5 FFBEMO Cc1nccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000154564944 508810183 /nfs/dbraw/zinc/81/01/83/508810183.db2.gz FQEKDYCFPKIJBJ-QGZVFWFLSA-N 1 1 357.414 2.593 10 5 FFBEMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000120601444 509029402 /nfs/dbraw/zinc/02/94/02/509029402.db2.gz BHFQKKAFUHLNOQ-HUUCEWRRSA-N 1 1 359.426 2.742 10 5 FFBEMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(c3cc[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000195505147 509196950 /nfs/dbraw/zinc/19/69/50/509196950.db2.gz YAISONATNUPJJB-ZDUSSCGKSA-N 1 1 357.414 2.833 10 5 FFBEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000192241198 509420884 /nfs/dbraw/zinc/42/08/84/509420884.db2.gz GUUIANKCIAAGPM-UHFFFAOYSA-N 1 1 364.446 2.622 10 5 FFBEMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000267439362 509484803 /nfs/dbraw/zinc/48/48/03/509484803.db2.gz HDDAQIXRUIKGMI-LBPRGKRZSA-N 1 1 368.231 2.668 10 5 FFBEMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@H]2C1 ZINC000267439362 509484807 /nfs/dbraw/zinc/48/48/07/509484807.db2.gz HDDAQIXRUIKGMI-LBPRGKRZSA-N 1 1 368.231 2.668 10 5 FFBEMO COc1ccc(OCC[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000173700550 509728112 /nfs/dbraw/zinc/72/81/12/509728112.db2.gz ZHAKTSXYPUZLPE-OAHLLOKOSA-N 1 1 360.414 2.824 10 5 FFBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000245733727 510112723 /nfs/dbraw/zinc/11/27/23/510112723.db2.gz KBNAVHRAMPMIFJ-ZBFHGGJFSA-N 1 1 357.414 2.503 10 5 FFBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000245733727 510112731 /nfs/dbraw/zinc/11/27/31/510112731.db2.gz KBNAVHRAMPMIFJ-ZBFHGGJFSA-N 1 1 357.414 2.503 10 5 FFBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000245733727 510112738 /nfs/dbraw/zinc/11/27/38/510112738.db2.gz KBNAVHRAMPMIFJ-ZBFHGGJFSA-N 1 1 357.414 2.503 10 5 FFBEMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246182160 510343479 /nfs/dbraw/zinc/34/34/79/510343479.db2.gz UXOJTYYPCCQLCE-CABCVRRESA-N 1 1 369.425 2.751 10 5 FFBEMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246182160 510343488 /nfs/dbraw/zinc/34/34/88/510343488.db2.gz UXOJTYYPCCQLCE-CABCVRRESA-N 1 1 369.425 2.751 10 5 FFBEMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000178499799 510633484 /nfs/dbraw/zinc/63/34/84/510633484.db2.gz QDCZTAPAGHDAOK-ZDUSSCGKSA-N 1 1 368.231 2.668 10 5 FFBEMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000178499799 510633488 /nfs/dbraw/zinc/63/34/88/510633488.db2.gz QDCZTAPAGHDAOK-ZDUSSCGKSA-N 1 1 368.231 2.668 10 5 FFBEMO CC(C)[N@@H+]1C[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246742201 510647500 /nfs/dbraw/zinc/64/75/00/510647500.db2.gz BALLVAGIJWENRH-XEZPLFJOSA-N 1 1 351.472 2.920 10 5 FFBEMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247545770 510865179 /nfs/dbraw/zinc/86/51/79/510865179.db2.gz RPRAHEGLKOBBED-TZMCWYRMSA-N 1 1 368.397 2.929 10 5 FFBEMO C[C@H]1[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC12CCOCC2 ZINC000371814516 512586248 /nfs/dbraw/zinc/58/62/48/512586248.db2.gz FBQNREOLPRPMAL-PBHICJAKSA-N 1 1 359.426 2.591 10 5 FFBEMO CC(C)c1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000583622185 519344037 /nfs/dbraw/zinc/34/40/37/519344037.db2.gz WDPLNNIOQCEPJI-AWEZNQCLSA-N 1 1 371.441 2.920 10 5 FFBEMO CCc1[nH+]ccn1[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106217717 250258244 /nfs/dbraw/zinc/25/82/44/250258244.db2.gz OMHDLHUQUHEULQ-CQSZACIVSA-N 1 1 357.414 2.629 10 5 FFBEMO CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000106867148 507825171 /nfs/dbraw/zinc/82/51/71/507825171.db2.gz JFGMSFQYRFUSHW-HNNXBMFYSA-N 1 1 365.430 2.823 10 5 FFBEMO CCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000106867148 507825175 /nfs/dbraw/zinc/82/51/75/507825175.db2.gz JFGMSFQYRFUSHW-HNNXBMFYSA-N 1 1 365.430 2.823 10 5 FFBEMO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000157942189 508636033 /nfs/dbraw/zinc/63/60/33/508636033.db2.gz RXHRVPCOSJIPSR-UHFFFAOYSA-N 1 1 370.409 2.706 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1CC ZINC000119667260 508840185 /nfs/dbraw/zinc/84/01/85/508840185.db2.gz REFBLKKHZKSQSL-OAHLLOKOSA-N 1 1 364.446 2.868 10 5 FFBEMO Cc1ccnc(N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000191800099 509187516 /nfs/dbraw/zinc/18/75/16/509187516.db2.gz IXSLIFOHNKEIRR-UHFFFAOYSA-N 1 1 364.446 2.541 10 5 FFBEMO Cc1ccnc(N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000191800099 509187525 /nfs/dbraw/zinc/18/75/25/509187525.db2.gz IXSLIFOHNKEIRR-UHFFFAOYSA-N 1 1 364.446 2.541 10 5 FFBEMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000180951328 510203016 /nfs/dbraw/zinc/20/30/16/510203016.db2.gz UPHBWMVUHBUESH-OAHLLOKOSA-N 1 1 373.434 2.768 10 5 FFBEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000190559647 510206291 /nfs/dbraw/zinc/20/62/91/510206291.db2.gz SLZXVZUAGRVJAI-CQSZACIVSA-N 1 1 374.466 2.954 10 5 FFBEMO Cc1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc([N+](=O)[O-])c1 ZINC000190589168 510226139 /nfs/dbraw/zinc/22/61/39/510226139.db2.gz DGOSQDJHUKXGQK-KRWDZBQOSA-N 1 1 368.437 2.892 10 5 FFBEMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246595735 510575320 /nfs/dbraw/zinc/57/53/20/510575320.db2.gz CWWBEHFVMHPKKJ-YZVOILCLSA-N 1 1 361.442 2.857 10 5 FFBEMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246595735 510575323 /nfs/dbraw/zinc/57/53/23/510575323.db2.gz CWWBEHFVMHPKKJ-YZVOILCLSA-N 1 1 361.442 2.857 10 5 FFBEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246674176 510612531 /nfs/dbraw/zinc/61/25/31/510612531.db2.gz IFKFKLVHOQKDBI-DNVCBOLYSA-N 1 1 368.437 2.559 10 5 FFBEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000247144474 510844924 /nfs/dbraw/zinc/84/49/24/510844924.db2.gz HXAISSZQIYKVKR-SUMWQHHRSA-N 1 1 372.400 2.769 10 5 FFBEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000247336839 510857558 /nfs/dbraw/zinc/85/75/58/510857558.db2.gz YUDHXABTQFKGCL-SCLBCKFNSA-N 1 1 372.400 2.769 10 5 FFBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247545759 510865253 /nfs/dbraw/zinc/86/52/53/510865253.db2.gz RPRAHEGLKOBBED-GXTWGEPZSA-N 1 1 368.397 2.929 10 5 FFBEMO Nc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc1[N+](=O)[O-] ZINC000311703890 511777918 /nfs/dbraw/zinc/77/79/18/511777918.db2.gz UWZIBIQJWPVDAA-HLLBOEOZSA-N 1 1 353.426 2.895 10 5 FFBEMO CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000112713108 508213883 /nfs/dbraw/zinc/21/38/83/508213883.db2.gz DINHMLLKJCUVLG-UHFFFAOYSA-N 1 1 372.429 2.551 10 5 FFBEMO CCn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000112713108 508213885 /nfs/dbraw/zinc/21/38/85/508213885.db2.gz DINHMLLKJCUVLG-UHFFFAOYSA-N 1 1 372.429 2.551 10 5 FFBEMO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1SC ZINC000113226922 508251928 /nfs/dbraw/zinc/25/19/28/508251928.db2.gz BWHQMLHRIRXADC-NWDGAFQWSA-N 1 1 365.455 2.634 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000140424290 508804471 /nfs/dbraw/zinc/80/44/71/508804471.db2.gz AJXRZHLGXAOZMU-BEFAXECRSA-N 1 1 361.442 2.859 10 5 FFBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000160533722 508999402 /nfs/dbraw/zinc/99/94/02/508999402.db2.gz KVJHWYCMCQUBLH-UHFFFAOYSA-N 1 1 357.414 2.835 10 5 FFBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121382217 509170839 /nfs/dbraw/zinc/17/08/39/509170839.db2.gz GOVLNBXEPRZTGZ-GXFFZTMASA-N 1 1 368.231 2.666 10 5 FFBEMO Cc1nc(N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000191801382 509187229 /nfs/dbraw/zinc/18/72/29/509187229.db2.gz NCMFFJZYPDFJEL-UHFFFAOYSA-N 1 1 364.446 2.541 10 5 FFBEMO Cc1nc(N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000191801382 509187236 /nfs/dbraw/zinc/18/72/36/509187236.db2.gz NCMFFJZYPDFJEL-UHFFFAOYSA-N 1 1 364.446 2.541 10 5 FFBEMO Cc1cccc(N2CCC(NC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000173055692 509370723 /nfs/dbraw/zinc/37/07/23/509370723.db2.gz QBFJPYRPUCLQOR-UHFFFAOYSA-N 1 1 354.410 2.626 10 5 FFBEMO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000192268343 509434349 /nfs/dbraw/zinc/43/43/49/509434349.db2.gz MMCMAFZDUBFWLK-CQSZACIVSA-N 1 1 364.446 2.622 10 5 FFBEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000192268343 509434356 /nfs/dbraw/zinc/43/43/56/509434356.db2.gz MMCMAFZDUBFWLK-CQSZACIVSA-N 1 1 364.446 2.622 10 5 FFBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248760797 509473394 /nfs/dbraw/zinc/47/33/94/509473394.db2.gz JOOOIYZFZJBGPL-NVXWUHKLSA-N 1 1 368.437 2.939 10 5 FFBEMO COc1ccc(OCC[N@H+]2CC[C@H](CNc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000173779570 509772226 /nfs/dbraw/zinc/77/22/26/509772226.db2.gz XHVPUSRASYIQBG-OAHLLOKOSA-N 1 1 372.425 2.811 10 5 FFBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000177026684 509825523 /nfs/dbraw/zinc/82/55/23/509825523.db2.gz UTPSJYBOHXDCBF-INIZCTEOSA-N 1 1 360.458 2.751 10 5 FFBEMO CCn1cnnc1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177059678 509846196 /nfs/dbraw/zinc/84/61/96/509846196.db2.gz YWLQXBQMIUMSAK-UHFFFAOYSA-N 1 1 356.386 2.727 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000245441360 509936057 /nfs/dbraw/zinc/93/60/57/509936057.db2.gz VISDCXCFPDAYPI-RDJZCZTQSA-N 1 1 360.458 2.790 10 5 FFBEMO C[C@H](O)C[N@H+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000245759808 510132469 /nfs/dbraw/zinc/13/24/69/510132469.db2.gz PLGMZCXASNTWDK-CABCVRRESA-N 1 1 359.426 2.742 10 5 FFBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171647303 510278703 /nfs/dbraw/zinc/27/87/03/510278703.db2.gz RITBYDRGIKJJKM-OAHLLOKOSA-N 1 1 369.425 2.671 10 5 FFBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171647303 510278713 /nfs/dbraw/zinc/27/87/13/510278713.db2.gz RITBYDRGIKJJKM-OAHLLOKOSA-N 1 1 369.425 2.671 10 5 FFBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000171820493 510390055 /nfs/dbraw/zinc/39/00/55/510390055.db2.gz SMYLXWMHOMAGKP-AWEZNQCLSA-N 1 1 358.398 2.840 10 5 FFBEMO O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2N1 ZINC000246409812 510474369 /nfs/dbraw/zinc/47/43/69/510474369.db2.gz QPWWKOWRRFKPAL-WMLDXEAASA-N 1 1 370.453 2.933 10 5 FFBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000194682471 510477129 /nfs/dbraw/zinc/47/71/29/510477129.db2.gz UUYSTQODQSFOOJ-UHFFFAOYSA-N 1 1 357.370 2.610 10 5 FFBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000194682471 510477138 /nfs/dbraw/zinc/47/71/38/510477138.db2.gz UUYSTQODQSFOOJ-UHFFFAOYSA-N 1 1 357.370 2.610 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@]4(O)CCCC[C@H]4C3)n2)cc1 ZINC000246735954 510643711 /nfs/dbraw/zinc/64/37/11/510643711.db2.gz GKZRSYIZHSOFAZ-KSSFIOAISA-N 1 1 358.398 2.772 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@]4(O)CCCC[C@H]4C3)n2)cc1 ZINC000246735954 510643719 /nfs/dbraw/zinc/64/37/19/510643719.db2.gz GKZRSYIZHSOFAZ-KSSFIOAISA-N 1 1 358.398 2.772 10 5 FFBEMO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1[N+](=O)[O-] ZINC000247305454 510856263 /nfs/dbraw/zinc/85/62/63/510856263.db2.gz VJTXZCKLPOVSLQ-QAPCUYQASA-N 1 1 368.437 2.939 10 5 FFBEMO COc1cc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c([N+](=O)[O-])cc1OC ZINC000093691136 250043011 /nfs/dbraw/zinc/04/30/11/250043011.db2.gz SOFNZGWCICDQJT-HNNXBMFYSA-N 1 1 359.382 2.660 10 5 FFBEMO COc1cc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c([N+](=O)[O-])cc1OC ZINC000093691136 250043015 /nfs/dbraw/zinc/04/30/15/250043015.db2.gz SOFNZGWCICDQJT-HNNXBMFYSA-N 1 1 359.382 2.660 10 5 FFBEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000103475524 250152889 /nfs/dbraw/zinc/15/28/89/250152889.db2.gz PZOJFKGBRGRZPX-OAHLLOKOSA-N 1 1 359.430 2.855 10 5 FFBEMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(Cn3cccn3)CC2)cccc1[N+](=O)[O-] ZINC000106183752 250252236 /nfs/dbraw/zinc/25/22/36/250252236.db2.gz KBBFWEFIPYGHGD-HNNXBMFYSA-N 1 1 371.441 2.839 10 5 FFBEMO CCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCCCO1 ZINC000106867463 507825212 /nfs/dbraw/zinc/82/52/12/507825212.db2.gz KZULWFFKNYYLRJ-KRWDZBQOSA-N 1 1 361.442 2.765 10 5 FFBEMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072867067 507866819 /nfs/dbraw/zinc/86/68/19/507866819.db2.gz MSQDVLVZPKBRDU-HKUYNNGSSA-N 1 1 369.421 2.782 10 5 FFBEMO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000078689646 507897798 /nfs/dbraw/zinc/89/77/98/507897798.db2.gz QGKWQUNDBIVYOO-HNNXBMFYSA-N 1 1 368.437 2.795 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](Oc4cccnc4)C3)o2)cc1 ZINC000152557130 508470108 /nfs/dbraw/zinc/47/01/08/508470108.db2.gz DMJGEIREUDBORJ-INIZCTEOSA-N 1 1 367.365 2.693 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](Oc4cccnc4)C3)o2)cc1 ZINC000152557130 508470113 /nfs/dbraw/zinc/47/01/13/508470113.db2.gz DMJGEIREUDBORJ-INIZCTEOSA-N 1 1 367.365 2.693 10 5 FFBEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000116251622 508491476 /nfs/dbraw/zinc/49/14/76/508491476.db2.gz SEQVZCBCLFGJPB-JSGCOSHPSA-N 1 1 360.439 2.692 10 5 FFBEMO Cc1ccc(N2CCC(NC(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000157790657 508612404 /nfs/dbraw/zinc/61/24/04/508612404.db2.gz MJJNUJGIRVXKGM-UHFFFAOYSA-N 1 1 358.373 2.836 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)n2)cc1 ZINC000140531517 508806294 /nfs/dbraw/zinc/80/62/94/508806294.db2.gz GKZRSYIZHSOFAZ-KDOFPFPSSA-N 1 1 358.398 2.772 10 5 FFBEMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)n2)cc1 ZINC000140531517 508806296 /nfs/dbraw/zinc/80/62/96/508806296.db2.gz GKZRSYIZHSOFAZ-KDOFPFPSSA-N 1 1 358.398 2.772 10 5 FFBEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000154564839 508810171 /nfs/dbraw/zinc/81/01/71/508810171.db2.gz FQEKDYCFPKIJBJ-KRWDZBQOSA-N 1 1 357.414 2.593 10 5 FFBEMO COc1ccc([C@H]2C[C@H](C)[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000159839350 508899594 /nfs/dbraw/zinc/89/95/94/508899594.db2.gz NJNXWUOZGHQIGP-HOCLYGCPSA-N 1 1 357.410 2.643 10 5 FFBEMO C[NH+]1CCN([C@@H]2CCCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000127084814 509165498 /nfs/dbraw/zinc/16/54/98/509165498.db2.gz FBSGWUGOXHZSBG-MRXNPFEDSA-N 1 1 369.469 2.749 10 5 FFBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267464846 509498137 /nfs/dbraw/zinc/49/81/37/509498137.db2.gz LLXHEHSDRLSFPF-CMPLNLGQSA-N 1 1 368.231 2.666 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000245421416 509921150 /nfs/dbraw/zinc/92/11/50/509921150.db2.gz HYJHBLOHEPNDPP-HOCLYGCPSA-N 1 1 357.414 2.703 10 5 FFBEMO CC[N@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245459597 509947858 /nfs/dbraw/zinc/94/78/58/509947858.db2.gz DOTKZSOIKSIEQV-OCCSQVGLSA-N 1 1 368.865 2.991 10 5 FFBEMO CCOc1cccc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000184051070 510105111 /nfs/dbraw/zinc/10/51/11/510105111.db2.gz QCTKHDPAZRQRQR-KRWDZBQOSA-N 1 1 371.437 2.825 10 5 FFBEMO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000245848384 510167520 /nfs/dbraw/zinc/16/75/20/510167520.db2.gz KMKDEDVYELDRSM-OCCSQVGLSA-N 1 1 373.413 2.568 10 5 FFBEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000245848384 510167528 /nfs/dbraw/zinc/16/75/28/510167528.db2.gz KMKDEDVYELDRSM-OCCSQVGLSA-N 1 1 373.413 2.568 10 5 FFBEMO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000172020930 510502614 /nfs/dbraw/zinc/50/26/14/510502614.db2.gz UMHLEINBFIVVCT-ZDUSSCGKSA-N 1 1 355.866 2.773 10 5 FFBEMO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195084010 510663811 /nfs/dbraw/zinc/66/38/11/510663811.db2.gz QJZREMIJSCTENB-INIZCTEOSA-N 1 1 358.442 2.505 10 5 FFBEMO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195084010 510663819 /nfs/dbraw/zinc/66/38/19/510663819.db2.gz QJZREMIJSCTENB-INIZCTEOSA-N 1 1 358.442 2.505 10 5 FFBEMO O=C(C[N@@H+]1CCC[C@@H](c2nccs2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000195343300 510793481 /nfs/dbraw/zinc/79/34/81/510793481.db2.gz WCLXUGMIPPJHJC-CQSZACIVSA-N 1 1 372.450 2.820 10 5 FFBEMO O=C(C[N@H+]1CCC[C@@H](c2nccs2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000195343300 510793488 /nfs/dbraw/zinc/79/34/88/510793488.db2.gz WCLXUGMIPPJHJC-CQSZACIVSA-N 1 1 372.450 2.820 10 5 FFBEMO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247172911 510848534 /nfs/dbraw/zinc/84/85/34/510848534.db2.gz JQXPSHBOZXCIFV-BEFAXECRSA-N 1 1 368.437 2.939 10 5 FFBEMO COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000102695731 250119353 /nfs/dbraw/zinc/11/93/53/250119353.db2.gz RMKYVYDXQUEYCU-LBPRGKRZSA-N 1 1 359.382 2.901 10 5 FFBEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000106177077 250248639 /nfs/dbraw/zinc/24/86/39/250248639.db2.gz MHOATNPTYVTRQO-QGZVFWFLSA-N 1 1 373.457 2.984 10 5 FFBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000106180968 250252003 /nfs/dbraw/zinc/25/20/03/250252003.db2.gz HUIJAALFYRRELX-HNNXBMFYSA-N 1 1 359.430 2.724 10 5 FFBEMO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[N@H+](C2CC2)CC1 ZINC000181166110 251252347 /nfs/dbraw/zinc/25/23/47/251252347.db2.gz OLQIFIAKFSTTCO-UHFFFAOYSA-N 1 1 355.341 2.507 10 5 FFBEMO C[C@H]1C[N@H+](C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000066396300 506506738 /nfs/dbraw/zinc/50/67/38/506506738.db2.gz YYUJAQJEBXBGQS-LBPRGKRZSA-N 1 1 367.833 2.574 10 5 FFBEMO CCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000106867452 507825333 /nfs/dbraw/zinc/82/53/33/507825333.db2.gz HTDZOCCJFLSTMY-FUHWJXTLSA-N 1 1 352.431 2.616 10 5 FFBEMO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[N@H+]1C[C@@H](C)O ZINC000106101528 508392965 /nfs/dbraw/zinc/39/29/65/508392965.db2.gz RMIGUYJQHPRLAW-WBVHZDCISA-N 1 1 365.474 2.659 10 5 FFBEMO Cc1cc(C)n(C[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000106199547 508397882 /nfs/dbraw/zinc/39/78/82/508397882.db2.gz DDPNNKRZHWUMSC-IBGZPJMESA-N 1 1 374.441 2.578 10 5 FFBEMO Cc1cc(C)n(C[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000106199547 508397883 /nfs/dbraw/zinc/39/78/83/508397883.db2.gz DDPNNKRZHWUMSC-IBGZPJMESA-N 1 1 374.441 2.578 10 5 FFBEMO Cn1cc[nH+]c1CC1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121896183 508443100 /nfs/dbraw/zinc/44/31/00/508443100.db2.gz UJNMTJWWIDSZRS-QPJJXVBHSA-N 1 1 354.410 2.823 10 5 FFBEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000116244167 508490870 /nfs/dbraw/zinc/49/08/70/508490870.db2.gz DVUOHMSTOBEKOK-YJBOKZPZSA-N 1 1 368.437 2.559 10 5 FFBEMO Cc1ccc(N2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)nn1 ZINC000177051838 509842436 /nfs/dbraw/zinc/84/24/36/509842436.db2.gz LNLJUSIUBFTUHH-UHFFFAOYSA-N 1 1 368.397 2.547 10 5 FFBEMO Cc1ccc(N2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)nn1 ZINC000177051838 509842441 /nfs/dbraw/zinc/84/24/41/509842441.db2.gz LNLJUSIUBFTUHH-UHFFFAOYSA-N 1 1 368.397 2.547 10 5 FFBEMO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000177057228 509844074 /nfs/dbraw/zinc/84/40/74/509844074.db2.gz ORNWASUBKBCACQ-AWEZNQCLSA-N 1 1 370.413 2.857 10 5 FFBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000177057228 509844079 /nfs/dbraw/zinc/84/40/79/509844079.db2.gz ORNWASUBKBCACQ-AWEZNQCLSA-N 1 1 370.413 2.857 10 5 FFBEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177696711 510204743 /nfs/dbraw/zinc/20/47/43/510204743.db2.gz DOTKZSOIKSIEQV-GXTWGEPZSA-N 1 1 368.865 2.991 10 5 FFBEMO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177707642 510208742 /nfs/dbraw/zinc/20/87/42/510208742.db2.gz YMBHLINLQUNECP-CYBMUJFWSA-N 1 1 354.838 2.603 10 5 FFBEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245952520 510225683 /nfs/dbraw/zinc/22/56/83/510225683.db2.gz PREGGWWJPPEVLB-CXAGYDPISA-N 1 1 357.414 2.591 10 5 FFBEMO Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000246342720 510437343 /nfs/dbraw/zinc/43/73/43/510437343.db2.gz UZMIVVVMHDASLZ-MAUKXSAKSA-N 1 1 356.426 2.766 10 5 FFBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000182225611 510823243 /nfs/dbraw/zinc/82/32/43/510823243.db2.gz ICAIXAUDQFONEB-UONOGXRCSA-N 1 1 363.439 2.671 10 5 FFBEMO Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247325595 510857064 /nfs/dbraw/zinc/85/70/64/510857064.db2.gz XRJMBPDFAKXKAH-KDOFPFPSSA-N 1 1 368.437 2.939 10 5 FFBEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408183071 513017000 /nfs/dbraw/zinc/01/70/00/513017000.db2.gz NUCRAUOYUZUFRK-WBVHZDCISA-N 1 1 372.469 2.894 10 5 FFBEMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000583622186 519344715 /nfs/dbraw/zinc/34/47/15/519344715.db2.gz WDPLNNIOQCEPJI-CQSZACIVSA-N 1 1 371.441 2.920 10 5 FFBEMO CC[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000175298803 729093258 /nfs/dbraw/zinc/09/32/58/729093258.db2.gz HIDNWTBANHAVTC-YPMHNXCESA-N 1 1 370.837 2.557 10 5 FFBEMO COc1ccc(C[N@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)cc1[N+](=O)[O-] ZINC000106178016 250249493 /nfs/dbraw/zinc/24/94/93/250249493.db2.gz VIEGBMBWLQFGDR-INIZCTEOSA-N 1 1 359.430 2.724 10 5 FFBEMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Cn2cccn2)CC1 ZINC000106185444 250250391 /nfs/dbraw/zinc/25/03/91/250250391.db2.gz CPBQMOUDMLBYGV-CQSZACIVSA-N 1 1 357.414 2.531 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CN(C4CC4)CCO3)cs2)c1 ZINC000113338943 508261478 /nfs/dbraw/zinc/26/14/78/508261478.db2.gz RFDSCGZVBAXYDK-QGZVFWFLSA-N 1 1 374.466 2.671 10 5 FFBEMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c2c(c1)COCO2 ZINC000152389492 508436161 /nfs/dbraw/zinc/43/61/61/508436161.db2.gz GDQIWYAADLBEEZ-KRWDZBQOSA-N 1 1 357.366 2.510 10 5 FFBEMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c2c(c1)COCO2 ZINC000152389492 508436165 /nfs/dbraw/zinc/43/61/65/508436165.db2.gz GDQIWYAADLBEEZ-KRWDZBQOSA-N 1 1 357.366 2.510 10 5 FFBEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000116243609 508490234 /nfs/dbraw/zinc/49/02/34/508490234.db2.gz QFQSEWKERRVCEL-PBHICJAKSA-N 1 1 354.410 2.630 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1CC ZINC000116767770 508558189 /nfs/dbraw/zinc/55/81/89/508558189.db2.gz AKSKCXCKXSLOCO-AWEZNQCLSA-N 1 1 374.441 2.649 10 5 FFBEMO COc1ccc(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000157744756 508606046 /nfs/dbraw/zinc/60/60/46/508606046.db2.gz KEHMGVFRPKMJTB-UHFFFAOYSA-N 1 1 370.409 2.706 10 5 FFBEMO Cc1cccc(N2CCC(NC(=O)Cc3cccc([N+](=O)[O-])c3C)CC2)[nH+]1 ZINC000123732558 508730519 /nfs/dbraw/zinc/73/05/19/508730519.db2.gz PLUSRXATOMWPRX-UHFFFAOYSA-N 1 1 368.437 2.934 10 5 FFBEMO C[C@H]1CCC[N@H+]1C1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000154966117 508893989 /nfs/dbraw/zinc/89/39/89/508893989.db2.gz MWLAZQSSLGQONZ-AWEZNQCLSA-N 1 1 372.469 2.940 10 5 FFBEMO CC[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125112613 508932361 /nfs/dbraw/zinc/93/23/61/508932361.db2.gz VKKWQMMNQZZWAQ-AWEZNQCLSA-N 1 1 355.460 2.675 10 5 FFBEMO CCOCC[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000120905374 509086540 /nfs/dbraw/zinc/08/65/40/509086540.db2.gz HXNLAVDGFLOJMT-ZDUSSCGKSA-N 1 1 373.400 2.739 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@H](N4CCOCC4)C3)o2)c1 ZINC000121032512 509114004 /nfs/dbraw/zinc/11/40/04/509114004.db2.gz TZEQQNDBXSCVLS-KRWDZBQOSA-N 1 1 357.410 2.761 10 5 FFBEMO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000182659551 509355368 /nfs/dbraw/zinc/35/53/68/509355368.db2.gz WYFKPQRUKKHQNT-LLVKDONJSA-N 1 1 368.231 2.668 10 5 FFBEMO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000182659551 509355371 /nfs/dbraw/zinc/35/53/71/509355371.db2.gz WYFKPQRUKKHQNT-LLVKDONJSA-N 1 1 368.231 2.668 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000182663955 509356908 /nfs/dbraw/zinc/35/69/08/509356908.db2.gz GCMUUCPASOUYKJ-GHMZBOCLSA-N 1 1 368.231 2.666 10 5 FFBEMO Cc1ccc(N2CCC(NC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000173210303 509457010 /nfs/dbraw/zinc/45/70/10/509457010.db2.gz BNABNKIGAUBUAD-UHFFFAOYSA-N 1 1 354.410 2.626 10 5 FFBEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)no1 ZINC000177035099 509831333 /nfs/dbraw/zinc/83/13/33/509831333.db2.gz VHGJXHVLJOXYJV-GFCCVEGCSA-N 1 1 357.370 2.882 10 5 FFBEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)no1 ZINC000177035099 509831338 /nfs/dbraw/zinc/83/13/38/509831338.db2.gz VHGJXHVLJOXYJV-GFCCVEGCSA-N 1 1 357.370 2.882 10 5 FFBEMO CCOCC[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1CC ZINC000177055186 509843547 /nfs/dbraw/zinc/84/35/47/509843547.db2.gz WKCBPVDUWYIGKM-CQSZACIVSA-N 1 1 362.430 2.669 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(CC)c([N+](=O)[O-])c2)C[C@@H]1CC ZINC000174244633 510021870 /nfs/dbraw/zinc/02/18/70/510021870.db2.gz IQBQPSQJWDFXRG-KRWDZBQOSA-N 1 1 363.458 2.730 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(CC)c([N+](=O)[O-])c2)C[C@@H]1CC ZINC000174244633 510021876 /nfs/dbraw/zinc/02/18/76/510021876.db2.gz IQBQPSQJWDFXRG-KRWDZBQOSA-N 1 1 363.458 2.730 10 5 FFBEMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1SC ZINC000171291997 510060330 /nfs/dbraw/zinc/06/03/30/510060330.db2.gz OZIIGGGMNWSCOB-LBPRGKRZSA-N 1 1 365.455 2.636 10 5 FFBEMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1SC ZINC000171291997 510060338 /nfs/dbraw/zinc/06/03/38/510060338.db2.gz OZIIGGGMNWSCOB-LBPRGKRZSA-N 1 1 365.455 2.636 10 5 FFBEMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246337185 510433075 /nfs/dbraw/zinc/43/30/75/510433075.db2.gz UBUDSOHOMVXJDQ-IFXJQAMLSA-N 1 1 367.409 2.902 10 5 FFBEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000246480958 510511614 /nfs/dbraw/zinc/51/16/14/510511614.db2.gz HLOXSIZZMBOMHU-SUMWQHHRSA-N 1 1 372.400 2.769 10 5 FFBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246742159 510646868 /nfs/dbraw/zinc/64/68/68/510646868.db2.gz BALLVAGIJWENRH-DVOMOZLQSA-N 1 1 351.472 2.920 10 5 FFBEMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@H+](C2CC2)CC1 ZINC000172346460 510683192 /nfs/dbraw/zinc/68/31/92/510683192.db2.gz WQTXEFCSSQHMQD-GFCCVEGCSA-N 1 1 366.849 2.745 10 5 FFBEMO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000247584999 510866701 /nfs/dbraw/zinc/86/67/01/510866701.db2.gz IXOMOXAECTVMAI-PBHICJAKSA-N 1 1 357.414 2.764 10 5 FFBEMO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000247584999 510866702 /nfs/dbraw/zinc/86/67/02/510866702.db2.gz IXOMOXAECTVMAI-PBHICJAKSA-N 1 1 357.414 2.764 10 5 FFBEMO Cc1cc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000408027698 512986413 /nfs/dbraw/zinc/98/64/13/512986413.db2.gz 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ZINC000247076296 510827450 /nfs/dbraw/zinc/82/74/50/510827450.db2.gz YVKYTVLNQBVNBY-WMZOPIPTSA-N 1 1 360.458 2.872 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1CC ZINC000135173168 728736167 /nfs/dbraw/zinc/73/61/67/728736167.db2.gz VMHCRBMOBMYWTH-OAHLLOKOSA-N 1 1 369.849 2.821 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1CC ZINC000135173168 728736168 /nfs/dbraw/zinc/73/61/68/728736168.db2.gz VMHCRBMOBMYWTH-OAHLLOKOSA-N 1 1 369.849 2.821 10 5 FFBEMO Cn1ccnc1CC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000106166116 250245577 /nfs/dbraw/zinc/24/55/77/250245577.db2.gz VIQDMOAJCAWDPQ-UHFFFAOYSA-N 1 1 372.425 2.650 10 5 FFBEMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106166047 250246422 /nfs/dbraw/zinc/24/64/22/250246422.db2.gz PYOFWPXDJFBOIQ-CQSZACIVSA-N 1 1 371.441 2.610 10 5 FFBEMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106185986 250251938 /nfs/dbraw/zinc/25/19/38/250251938.db2.gz OZKVUPLIHSVFQM-CQSZACIVSA-N 1 1 357.414 2.531 10 5 FFBEMO Cc1cnn([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000106225723 250258453 /nfs/dbraw/zinc/25/84/53/250258453.db2.gz RRAMOKRQTXKYGF-OAHLLOKOSA-N 1 1 357.414 2.765 10 5 FFBEMO O=C(CC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128941823 250795591 /nfs/dbraw/zinc/79/55/91/250795591.db2.gz GBYUQADAAPWEQK-FZKQIMNGSA-N 1 1 365.405 2.690 10 5 FFBEMO Cc1cc(N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c(Cl)cc1[N+](=O)[O-] ZINC000301700745 258063404 /nfs/dbraw/zinc/06/34/04/258063404.db2.gz DIBUABBVSUCIMA-KGLIPLIRSA-N 1 1 353.850 2.982 10 5 FFBEMO C[C@H]1C[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C[N@H+]1Cc1ccccc1 ZINC000301970312 258078916 /nfs/dbraw/zinc/07/89/16/258078916.db2.gz RFPGFZAVIGCOSW-GOEBONIOSA-N 1 1 366.425 2.960 10 5 FFBEMO CCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCCO1 ZINC000106866508 507824931 /nfs/dbraw/zinc/82/49/31/507824931.db2.gz YTBXHTBXNWOUAJ-QGZVFWFLSA-N 1 1 361.442 2.765 10 5 FFBEMO C[N@H+]1Cc2ccc(N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)cc2C1 ZINC000109147060 507943020 /nfs/dbraw/zinc/94/30/20/507943020.db2.gz AUKBUNNDQRORQB-GOSISDBHSA-N 1 1 352.394 2.758 10 5 FFBEMO C[N@H+]1Cc2ccc(N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)cc2C1 ZINC000109147062 507943091 /nfs/dbraw/zinc/94/30/91/507943091.db2.gz AUKBUNNDQRORQB-SFHVURJKSA-N 1 1 352.394 2.758 10 5 FFBEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000154553519 508808289 /nfs/dbraw/zinc/80/82/89/508808289.db2.gz QYNATXINNUKYHK-GOEBONIOSA-N 1 1 371.441 2.900 10 5 FFBEMO O=C1CC[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC1 ZINC000120155075 508939568 /nfs/dbraw/zinc/93/95/68/508939568.db2.gz WHYJJVFLQQQGLA-BEFAXECRSA-N 1 1 373.453 2.839 10 5 FFBEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000191802584 509189686 /nfs/dbraw/zinc/18/96/86/509189686.db2.gz FQJWVJKKRDELQX-UHFFFAOYSA-N 1 1 367.421 2.976 10 5 FFBEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000191802584 509189693 /nfs/dbraw/zinc/18/96/93/509189693.db2.gz FQJWVJKKRDELQX-UHFFFAOYSA-N 1 1 367.421 2.976 10 5 FFBEMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503250 509195437 /nfs/dbraw/zinc/19/54/37/509195437.db2.gz TVZINTPMRQKONG-ZDUSSCGKSA-N 1 1 357.414 2.535 10 5 FFBEMO Cn1cc[nH+]c1CC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000162394027 509216051 /nfs/dbraw/zinc/21/60/51/509216051.db2.gz GMWWOXQLKMMZKO-UHFFFAOYSA-N 1 1 356.426 2.742 10 5 FFBEMO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000179420367 509434552 /nfs/dbraw/zinc/43/45/52/509434552.db2.gz AVBFKOQGRZFVKW-LLVKDONJSA-N 1 1 369.219 2.669 10 5 FFBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000180487407 509952066 /nfs/dbraw/zinc/95/20/66/509952066.db2.gz LRKIEYBQTOLETB-HNNXBMFYSA-N 1 1 356.426 2.915 10 5 FFBEMO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000171408928 510142798 /nfs/dbraw/zinc/14/27/98/510142798.db2.gz DODADKWIHULHIK-GXTWGEPZSA-N 1 1 373.413 2.568 10 5 FFBEMO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000171408928 510142800 /nfs/dbraw/zinc/14/28/00/510142800.db2.gz DODADKWIHULHIK-GXTWGEPZSA-N 1 1 373.413 2.568 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000190665045 510271585 /nfs/dbraw/zinc/27/15/85/510271585.db2.gz VWHPSLXGRDDNLA-HNNXBMFYSA-N 1 1 372.400 2.723 10 5 FFBEMO O=C(CC[N@H+]1CCO[C@H]2CCCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000185188969 510737748 /nfs/dbraw/zinc/73/77/48/510737748.db2.gz WMFFDRYFUDGBJM-HOTGVXAUSA-N 1 1 351.378 2.706 10 5 FFBEMO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182140598 510778369 /nfs/dbraw/zinc/77/83/69/510778369.db2.gz DMKYSAWZBBQXBY-CYBMUJFWSA-N 1 1 355.866 2.773 10 5 FFBEMO Cc1cnn([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000106224904 250260451 /nfs/dbraw/zinc/26/04/51/250260451.db2.gz TYHQPCFDZDGAGC-INIZCTEOSA-N 1 1 358.398 2.803 10 5 FFBEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000106224904 250260455 /nfs/dbraw/zinc/26/04/55/250260455.db2.gz TYHQPCFDZDGAGC-INIZCTEOSA-N 1 1 358.398 2.803 10 5 FFBEMO Cc1cc(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000116982396 250327958 /nfs/dbraw/zinc/32/79/58/250327958.db2.gz QOVRGOWJNQUEMN-UHFFFAOYSA-N 1 1 369.425 2.588 10 5 FFBEMO Cc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000079494552 507968258 /nfs/dbraw/zinc/96/82/58/507968258.db2.gz CECKIQVQHKKYNT-CQSZACIVSA-N 1 1 362.430 2.620 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000081569971 508191789 /nfs/dbraw/zinc/19/17/89/508191789.db2.gz DQROQDXVVSDTBC-CYBMUJFWSA-N 1 1 365.430 2.894 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000081569971 508191792 /nfs/dbraw/zinc/19/17/92/508191792.db2.gz DQROQDXVVSDTBC-CYBMUJFWSA-N 1 1 365.430 2.894 10 5 FFBEMO CCCn1cc(C[N@H+]2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000106158541 508396293 /nfs/dbraw/zinc/39/62/93/508396293.db2.gz KWBBSRDYADBSJD-UHFFFAOYSA-N 1 1 357.458 2.909 10 5 FFBEMO CCCn1cc(CN2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000106158541 508396297 /nfs/dbraw/zinc/39/62/97/508396297.db2.gz KWBBSRDYADBSJD-UHFFFAOYSA-N 1 1 357.458 2.909 10 5 FFBEMO CCCn1cc(CN2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000106158541 508396299 /nfs/dbraw/zinc/39/62/99/508396299.db2.gz KWBBSRDYADBSJD-UHFFFAOYSA-N 1 1 357.458 2.909 10 5 FFBEMO Cc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000116250323 508491648 /nfs/dbraw/zinc/49/16/48/508491648.db2.gz XRJMBPDFAKXKAH-KBXCAEBGSA-N 1 1 368.437 2.939 10 5 FFBEMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000137002479 508731703 /nfs/dbraw/zinc/73/17/03/508731703.db2.gz RQSNYCNFOCEYIL-GFCCVEGCSA-N 1 1 367.833 2.574 10 5 FFBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000186237754 509593811 /nfs/dbraw/zinc/59/38/11/509593811.db2.gz BVNJAHFWIOFXQV-QJPKHSJYSA-N 1 1 373.453 2.710 10 5 FFBEMO C[C@H](O)CN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000245690666 510088115 /nfs/dbraw/zinc/08/81/15/510088115.db2.gz BHFQKKAFUHLNOQ-GJZGRUSLSA-N 1 1 359.426 2.742 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000190448751 510138379 /nfs/dbraw/zinc/13/83/79/510138379.db2.gz SGFLZMBCFVKHHC-AWEZNQCLSA-N 1 1 372.454 2.657 10 5 FFBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245835896 510160149 /nfs/dbraw/zinc/16/01/49/510160149.db2.gz WBRVOABTNVDPPE-SWLSCSKDSA-N 1 1 369.385 2.634 10 5 FFBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245835896 510160154 /nfs/dbraw/zinc/16/01/54/510160154.db2.gz WBRVOABTNVDPPE-SWLSCSKDSA-N 1 1 369.385 2.634 10 5 FFBEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000190559625 510207220 /nfs/dbraw/zinc/20/72/20/510207220.db2.gz SLZXVZUAGRVJAI-AWEZNQCLSA-N 1 1 374.466 2.954 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000175045079 510456943 /nfs/dbraw/zinc/45/69/43/510456943.db2.gz HTSHFVFUFKLFQG-UONOGXRCSA-N 1 1 366.849 2.745 10 5 FFBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000175186527 510523524 /nfs/dbraw/zinc/52/35/24/510523524.db2.gz SBWWPIQMBZTGQU-QGZVFWFLSA-N 1 1 371.441 2.884 10 5 FFBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000178426619 510598445 /nfs/dbraw/zinc/59/84/45/510598445.db2.gz OBKDNZDLDWQOKH-UHFFFAOYSA-N 1 1 373.413 2.824 10 5 FFBEMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000172392690 510706139 /nfs/dbraw/zinc/70/61/39/510706139.db2.gz WDYJBSXPRLIPCK-LBPRGKRZSA-N 1 1 368.231 2.668 10 5 FFBEMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000172392690 510706144 /nfs/dbraw/zinc/70/61/44/510706144.db2.gz WDYJBSXPRLIPCK-LBPRGKRZSA-N 1 1 368.231 2.668 10 5 FFBEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000247144459 510845248 /nfs/dbraw/zinc/84/52/48/510845248.db2.gz HXAISSZQIYKVKR-CXAGYDPISA-N 1 1 372.400 2.769 10 5 FFBEMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248324376 729602463 /nfs/dbraw/zinc/60/24/63/729602463.db2.gz APMJXXZBZNWIBB-OCCSQVGLSA-N 1 1 366.849 2.745 10 5 FFBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000588443967 964989329 /nfs/dbraw/zinc/98/93/29/964989329.db2.gz RIWKTDPUPGEXFM-REJXWNQVSA-N 1 1 361.442 2.614 10 5 FFBEMO CCc1[nH+]ccn1[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106217720 250260193 /nfs/dbraw/zinc/26/01/93/250260193.db2.gz OMHDLHUQUHEULQ-AWEZNQCLSA-N 1 1 357.414 2.629 10 5 FFBEMO O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3C[N@@H+]3CCC[C@H]3CO)ccc2c1 ZINC000301698794 258063593 /nfs/dbraw/zinc/06/35/93/258063593.db2.gz CLWRFSFWFRAZGL-IRXDYDNUSA-N 1 1 356.426 2.569 10 5 FFBEMO COc1ccc(NC(=O)C[N@H+](C)CCc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000104710544 508342871 /nfs/dbraw/zinc/34/28/71/508342871.db2.gz MZSWPEADVCQMEO-UHFFFAOYSA-N 1 1 373.409 2.725 10 5 FFBEMO COc1ccc(NC(=O)C[N@@H+](C)CCc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000104710544 508342874 /nfs/dbraw/zinc/34/28/74/508342874.db2.gz MZSWPEADVCQMEO-UHFFFAOYSA-N 1 1 373.409 2.725 10 5 FFBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000128451082 508594252 /nfs/dbraw/zinc/59/42/52/508594252.db2.gz IYVPCZJODJGXKP-LBPRGKRZSA-N 1 1 367.356 2.700 10 5 FFBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000128451082 508594257 /nfs/dbraw/zinc/59/42/57/508594257.db2.gz IYVPCZJODJGXKP-LBPRGKRZSA-N 1 1 367.356 2.700 10 5 FFBEMO Cc1c(NC(=O)CC[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000140525840 508806119 /nfs/dbraw/zinc/80/61/19/508806119.db2.gz KSCYIQDUJVDUIX-DNVCBOLYSA-N 1 1 361.442 2.859 10 5 FFBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267464847 509498812 /nfs/dbraw/zinc/49/88/12/509498812.db2.gz LLXHEHSDRLSFPF-JQWIXIFHSA-N 1 1 368.231 2.666 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000179584909 509523969 /nfs/dbraw/zinc/52/39/69/509523969.db2.gz ONCYMJWDSJKKRG-OAHLLOKOSA-N 1 1 363.458 2.703 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000179584909 509523970 /nfs/dbraw/zinc/52/39/70/509523970.db2.gz ONCYMJWDSJKKRG-OAHLLOKOSA-N 1 1 363.458 2.703 10 5 FFBEMO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192961800 509716502 /nfs/dbraw/zinc/71/65/02/509716502.db2.gz RKCYIHIBEWKXBN-HZPDHXFCSA-N 1 1 357.414 2.835 10 5 FFBEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)no1 ZINC000177035083 509831809 /nfs/dbraw/zinc/83/18/09/509831809.db2.gz VHGJXHVLJOXYJV-LBPRGKRZSA-N 1 1 357.370 2.882 10 5 FFBEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)no1 ZINC000177035083 509831817 /nfs/dbraw/zinc/83/18/17/509831817.db2.gz VHGJXHVLJOXYJV-LBPRGKRZSA-N 1 1 357.370 2.882 10 5 FFBEMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCN(CCn2cccn2)CC1 ZINC000255883832 509937071 /nfs/dbraw/zinc/93/70/71/509937071.db2.gz IYAYUQMBPBGUSP-DAXSKMNVSA-N 1 1 369.469 2.901 10 5 FFBEMO CN(C/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000255883832 509937074 /nfs/dbraw/zinc/93/70/74/509937074.db2.gz IYAYUQMBPBGUSP-DAXSKMNVSA-N 1 1 369.469 2.901 10 5 FFBEMO C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000268870613 510110806 /nfs/dbraw/zinc/11/08/06/510110806.db2.gz UERVSHGBOMNJBX-GXFFZTMASA-N 1 1 355.236 2.673 10 5 FFBEMO CC[N@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177705160 510207969 /nfs/dbraw/zinc/20/79/69/510207969.db2.gz BTLFLUBCJRCMMT-ZDUSSCGKSA-N 1 1 354.838 2.603 10 5 FFBEMO CC[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C[C@H](C)O ZINC000245924751 510208893 /nfs/dbraw/zinc/20/88/93/510208893.db2.gz TXQAHJAGLGIUHZ-WMLDXEAASA-N 1 1 374.441 2.527 10 5 FFBEMO O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2N1 ZINC000246409829 510473779 /nfs/dbraw/zinc/47/37/79/510473779.db2.gz QPWWKOWRRFKPAL-YOEHRIQHSA-N 1 1 370.453 2.933 10 5 FFBEMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000181569509 510478477 /nfs/dbraw/zinc/47/84/77/510478477.db2.gz OOFOHVLZUAUQQR-SNVBAGLBSA-N 1 1 369.830 2.746 10 5 FFBEMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000194763376 510516940 /nfs/dbraw/zinc/51/69/40/510516940.db2.gz OTOQEDRQQSDCLA-ZFWWWQNUSA-N 1 1 363.395 2.772 10 5 FFBEMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[N@H+](C2CC2)CC1 ZINC000172346260 510683677 /nfs/dbraw/zinc/68/36/77/510683677.db2.gz XSGNQUKPNQIRFP-CYBMUJFWSA-N 1 1 357.414 2.876 10 5 FFBEMO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195309340 510775671 /nfs/dbraw/zinc/77/56/71/510775671.db2.gz QTEVWFAEKKIWJM-INIZCTEOSA-N 1 1 358.442 2.505 10 5 FFBEMO CC[N@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000177707213 729144351 /nfs/dbraw/zinc/14/43/51/729144351.db2.gz YTDXMAVRNCLXIM-JSGCOSHPSA-N 1 1 368.865 2.991 10 5 FFBEMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000246818517 729590966 /nfs/dbraw/zinc/59/09/66/729590966.db2.gz JTOHCOQZPBMCNI-YVEFUNNKSA-N 1 1 367.833 2.814 10 5 FFBEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000246818517 729590967 /nfs/dbraw/zinc/59/09/67/729590967.db2.gz JTOHCOQZPBMCNI-YVEFUNNKSA-N 1 1 367.833 2.814 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000900744473 735688125 /nfs/dbraw/zinc/68/81/25/735688125.db2.gz KZBRDALQQVGUMR-LLVKDONJSA-N 1 1 373.812 2.570 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000900744473 735688128 /nfs/dbraw/zinc/68/81/28/735688128.db2.gz KZBRDALQQVGUMR-LLVKDONJSA-N 1 1 373.812 2.570 10 5 FFBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000106171558 250248412 /nfs/dbraw/zinc/24/84/12/250248412.db2.gz PKMWIRPECKBRDG-OAHLLOKOSA-N 1 1 359.430 2.886 10 5 FFBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171553 250248703 /nfs/dbraw/zinc/24/87/03/250248703.db2.gz PKMWIRPECKBRDG-HNNXBMFYSA-N 1 1 359.430 2.886 10 5 FFBEMO Cc1cc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000301616918 258059227 /nfs/dbraw/zinc/05/92/27/258059227.db2.gz CFRJPVCATVDKSW-WOJBJXKFSA-N 1 1 353.422 2.993 10 5 FFBEMO Cc1cc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000301616918 258059228 /nfs/dbraw/zinc/05/92/28/258059228.db2.gz CFRJPVCATVDKSW-WOJBJXKFSA-N 1 1 353.422 2.993 10 5 FFBEMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000107296488 507842896 /nfs/dbraw/zinc/84/28/96/507842896.db2.gz LFESOQDQQJFSGX-INIZCTEOSA-N 1 1 369.469 2.749 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000116928157 508571160 /nfs/dbraw/zinc/57/11/60/508571160.db2.gz PVFBACGMEZCDTL-HNNXBMFYSA-N 1 1 350.419 2.559 10 5 FFBEMO Cn1cc([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)cn1 ZINC000128548560 508610401 /nfs/dbraw/zinc/61/04/01/508610401.db2.gz XXGCFVNIQKSYOM-LLVKDONJSA-N 1 1 352.341 2.919 10 5 FFBEMO Cn1cc([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)cn1 ZINC000128548560 508610403 /nfs/dbraw/zinc/61/04/03/508610403.db2.gz XXGCFVNIQKSYOM-LLVKDONJSA-N 1 1 352.341 2.919 10 5 FFBEMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3ccnn3CCO)CC2)ccc1Cl ZINC000153673648 508622619 /nfs/dbraw/zinc/62/26/19/508622619.db2.gz MILOJGDTCICNSH-UHFFFAOYSA-N 1 1 364.833 2.817 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000131111504 508888937 /nfs/dbraw/zinc/88/89/37/508888937.db2.gz CKRXAUNMQIWBIR-ZWNOBZJWSA-N 1 1 357.332 2.922 10 5 FFBEMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000120614637 509031782 /nfs/dbraw/zinc/03/17/82/509031782.db2.gz JLMMSKSLMLDXEZ-HUUCEWRRSA-N 1 1 359.426 2.742 10 5 FFBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000177153697 509905247 /nfs/dbraw/zinc/90/52/47/509905247.db2.gz GEMBJUWIMVVCML-HNNXBMFYSA-N 1 1 357.414 2.593 10 5 FFBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000177163097 509912103 /nfs/dbraw/zinc/91/21/03/509912103.db2.gz IUPKYCFWHOXRME-GOSISDBHSA-N 1 1 371.441 2.983 10 5 FFBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000245697321 510091829 /nfs/dbraw/zinc/09/18/29/510091829.db2.gz SJOKRMKIXGNPJR-KBXCAEBGSA-N 1 1 374.441 2.673 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000175038515 510453202 /nfs/dbraw/zinc/45/32/02/510453202.db2.gz UVDUDMHEEQISOR-GOEBONIOSA-N 1 1 357.414 2.703 10 5 FFBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181898594 510648425 /nfs/dbraw/zinc/64/84/25/510648425.db2.gz JSLBDQDGJZBYQD-CMPLNLGQSA-N 1 1 355.341 2.505 10 5 FFBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000174533399 729073829 /nfs/dbraw/zinc/07/38/29/729073829.db2.gz NZCFTKYNICJZQW-LBPRGKRZSA-N 1 1 370.247 2.914 10 5 FFBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000106150173 250243498 /nfs/dbraw/zinc/24/34/98/250243498.db2.gz OGRGOSRNXINXHH-UHFFFAOYSA-N 1 1 371.441 2.606 10 5 FFBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000106177442 250247988 /nfs/dbraw/zinc/24/79/88/250247988.db2.gz AEQCKGVWJNSSTL-INIZCTEOSA-N 1 1 359.430 2.594 10 5 FFBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000106177081 250248320 /nfs/dbraw/zinc/24/83/20/250248320.db2.gz MHOATNPTYVTRQO-KRWDZBQOSA-N 1 1 373.457 2.984 10 5 FFBEMO COc1cc2[nH+]c(NCc3ccc([N+](=O)[O-])cc3)nc(N)c2cc1OC ZINC000301264255 258038644 /nfs/dbraw/zinc/03/86/44/258038644.db2.gz SXIBIYCXYQJZIC-UHFFFAOYSA-N 1 1 355.354 2.750 10 5 FFBEMO O=C1NC2(CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)Nc2cccc(F)c21 ZINC000034812275 506372362 /nfs/dbraw/zinc/37/23/62/506372362.db2.gz HYVSEVYNLGIXSB-UHFFFAOYSA-N 1 1 370.384 2.882 10 5 FFBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000113226807 508252478 /nfs/dbraw/zinc/25/24/78/508252478.db2.gz GGKMQPKBAQRGEM-DOTOQJQBSA-N 1 1 372.469 2.506 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152455369 508449702 /nfs/dbraw/zinc/44/97/02/508449702.db2.gz WXFLVSLRHNPOCF-QGZVFWFLSA-N 1 1 370.409 2.780 10 5 FFBEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000116248679 508491581 /nfs/dbraw/zinc/49/15/81/508491581.db2.gz YUDHXABTQFKGCL-ACJLOTCBSA-N 1 1 372.400 2.769 10 5 FFBEMO Cn1cc([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)cn1 ZINC000128548780 508610211 /nfs/dbraw/zinc/61/02/11/508610211.db2.gz XXGCFVNIQKSYOM-NSHDSACASA-N 1 1 352.341 2.919 10 5 FFBEMO Cn1cc([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)cn1 ZINC000128548780 508610215 /nfs/dbraw/zinc/61/02/15/508610215.db2.gz XXGCFVNIQKSYOM-NSHDSACASA-N 1 1 352.341 2.919 10 5 FFBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000123367651 508675960 /nfs/dbraw/zinc/67/59/60/508675960.db2.gz IITQSYFXSMPVTE-GOSISDBHSA-N 1 1 357.458 2.911 10 5 FFBEMO Cc1ccc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)cc1[N+](=O)[O-] ZINC000121203823 509149646 /nfs/dbraw/zinc/14/96/46/509149646.db2.gz DTASHHJTKXGDBV-UHFFFAOYSA-N 1 1 357.458 2.696 10 5 FFBEMO Cc1ccc(CN(C)C2CC[NH+](CCn3cccn3)CC2)cc1[N+](=O)[O-] ZINC000121203823 509149649 /nfs/dbraw/zinc/14/96/49/509149649.db2.gz DTASHHJTKXGDBV-UHFFFAOYSA-N 1 1 357.458 2.696 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000189826188 509773075 /nfs/dbraw/zinc/77/30/75/509773075.db2.gz OWBVEMGEGPETRJ-OAHLLOKOSA-N 1 1 363.458 2.901 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000189826188 509773079 /nfs/dbraw/zinc/77/30/79/509773079.db2.gz OWBVEMGEGPETRJ-OAHLLOKOSA-N 1 1 363.458 2.901 10 5 FFBEMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000255715013 509933173 /nfs/dbraw/zinc/93/31/73/509933173.db2.gz CHAHDMUBMVQNKH-CTEOGUNLSA-N 1 1 353.426 2.999 10 5 FFBEMO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000193912078 510125001 /nfs/dbraw/zinc/12/50/01/510125001.db2.gz LGWKTLXCNDLIPU-AWEZNQCLSA-N 1 1 374.401 2.624 10 5 FFBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000193912078 510125005 /nfs/dbraw/zinc/12/50/05/510125005.db2.gz LGWKTLXCNDLIPU-AWEZNQCLSA-N 1 1 374.401 2.624 10 5 FFBEMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000171652199 510282476 /nfs/dbraw/zinc/28/24/76/510282476.db2.gz DVLTYSSUUYIUSU-KRWDZBQOSA-N 1 1 363.461 2.917 10 5 FFBEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000194347031 510322966 /nfs/dbraw/zinc/32/29/66/510322966.db2.gz YYCLLWWQBIKNHH-SNVBAGLBSA-N 1 1 358.345 2.802 10 5 FFBEMO Cc1c(NC(=O)CC[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246848380 510707704 /nfs/dbraw/zinc/70/77/04/510707704.db2.gz KSCYIQDUJVDUIX-HNAYVOBHSA-N 1 1 361.442 2.859 10 5 FFBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000182071803 510740921 /nfs/dbraw/zinc/74/09/21/510740921.db2.gz HFKIGJYYMDJUPF-HNNXBMFYSA-N 1 1 357.410 2.610 10 5 FFBEMO CC[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000900747426 735688527 /nfs/dbraw/zinc/68/85/27/735688527.db2.gz SLKBDMPWRJHSKW-GFCCVEGCSA-N 1 1 373.812 2.570 10 5 FFBEMO CC[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000900747426 735688530 /nfs/dbraw/zinc/68/85/30/735688530.db2.gz SLKBDMPWRJHSKW-GFCCVEGCSA-N 1 1 373.812 2.570 10 5 FFBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106185910 250250589 /nfs/dbraw/zinc/25/05/89/250250589.db2.gz RIXYIFZWBIMAJV-CQSZACIVSA-N 1 1 357.414 2.531 10 5 FFBEMO O=C(CC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128942003 250794037 /nfs/dbraw/zinc/79/40/37/250794037.db2.gz GBYUQADAAPWEQK-ACJLOTCBSA-N 1 1 365.405 2.690 10 5 FFBEMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075131 508391919 /nfs/dbraw/zinc/39/19/19/508391919.db2.gz GPPVJXGWOCQXJI-QGZVFWFLSA-N 1 1 371.441 2.755 10 5 FFBEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000116243612 508490500 /nfs/dbraw/zinc/49/05/00/508490500.db2.gz QFQSEWKERRVCEL-YOEHRIQHSA-N 1 1 354.410 2.630 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CC ZINC000116928016 508571134 /nfs/dbraw/zinc/57/11/34/508571134.db2.gz OGIRAQMBQFINGT-OAHLLOKOSA-N 1 1 350.419 2.559 10 5 FFBEMO CC(C)[N@@H+]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)C1 ZINC000155744881 509063276 /nfs/dbraw/zinc/06/32/76/509063276.db2.gz BNTJILYJKXMJEL-RDJZCZTQSA-N 1 1 374.485 2.656 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H](N4CCOCC4)C3)cs2)c1 ZINC000120960395 509097894 /nfs/dbraw/zinc/09/78/94/509097894.db2.gz ZLAWTBSSFQZLIA-KRWDZBQOSA-N 1 1 374.466 2.625 10 5 FFBEMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@H](N4CCOCC4)C3)cs2)c1 ZINC000120960395 509097895 /nfs/dbraw/zinc/09/78/95/509097895.db2.gz ZLAWTBSSFQZLIA-KRWDZBQOSA-N 1 1 374.466 2.625 10 5 FFBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177015282 509819372 /nfs/dbraw/zinc/81/93/72/509819372.db2.gz QGXSQPQOVBKOTK-AWEZNQCLSA-N 1 1 369.849 2.960 10 5 FFBEMO CCOc1ccc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000177173766 509917864 /nfs/dbraw/zinc/91/78/64/509917864.db2.gz MZXPQKRFGOVDDV-HNNXBMFYSA-N 1 1 358.398 2.803 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000191370201 510626155 /nfs/dbraw/zinc/62/61/55/510626155.db2.gz HZQOUVKTXQAUPF-HNNXBMFYSA-N 1 1 364.446 2.786 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000191370201 510626161 /nfs/dbraw/zinc/62/61/61/510626161.db2.gz HZQOUVKTXQAUPF-HNNXBMFYSA-N 1 1 364.446 2.786 10 5 FFBEMO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195042195 510643827 /nfs/dbraw/zinc/64/38/27/510643827.db2.gz OVUAUBJCQAUYDP-KRWDZBQOSA-N 1 1 372.469 2.508 10 5 FFBEMO Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246848389 510706424 /nfs/dbraw/zinc/70/64/24/510706424.db2.gz KSCYIQDUJVDUIX-KXBFYZLASA-N 1 1 361.442 2.859 10 5 FFBEMO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195309331 510775472 /nfs/dbraw/zinc/77/54/72/510775472.db2.gz QTEVWFAEKKIWJM-MRXNPFEDSA-N 1 1 358.442 2.505 10 5 FFBEMO O=C(C[N@@H+]1CCC[C@@H](c2nccs2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000195346647 510795550 /nfs/dbraw/zinc/79/55/50/510795550.db2.gz VWYQPJUQKYPRAV-CQSZACIVSA-N 1 1 372.450 2.820 10 5 FFBEMO O=C(C[N@H+]1CCC[C@@H](c2nccs2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000195346647 510795558 /nfs/dbraw/zinc/79/55/58/510795558.db2.gz VWYQPJUQKYPRAV-CQSZACIVSA-N 1 1 372.450 2.820 10 5 FFBEMO CCn1cc(C[N@@H+]2CCCN(c3cccc(OC)c3[N+](=O)[O-])CC2)cn1 ZINC000185373783 510826493 /nfs/dbraw/zinc/82/64/93/510826493.db2.gz SGPHCRBHYZKXMZ-UHFFFAOYSA-N 1 1 359.430 2.532 10 5 FFBEMO CCn1cc(C[N@H+]2CCCN(c3cccc(OC)c3[N+](=O)[O-])CC2)cn1 ZINC000185373783 510826497 /nfs/dbraw/zinc/82/64/97/510826497.db2.gz SGPHCRBHYZKXMZ-UHFFFAOYSA-N 1 1 359.430 2.532 10 5 FFBEMO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[N@H+]1C[C@H](C)O ZINC000247779473 510870335 /nfs/dbraw/zinc/87/03/35/510870335.db2.gz RMIGUYJQHPRLAW-DOTOQJQBSA-N 1 1 365.474 2.659 10 5 FFBEMO COCC[N@@H+]1[C@H](C)CN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000588447258 965054485 /nfs/dbraw/zinc/05/44/85/965054485.db2.gz ALHPACYXRPKZAW-REJXWNQVSA-N 1 1 361.442 2.566 10 5 FFBEMO C[N@H+]1CCO[C@@H]2CN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153122974 251104879 /nfs/dbraw/zinc/10/48/79/251104879.db2.gz PKVTXQNBVUTNKY-QWHCGFSZSA-N 1 1 365.739 2.786 10 5 FFBEMO C[N@H+]1CCO[C@H]2CN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153122868 251105279 /nfs/dbraw/zinc/10/52/79/251105279.db2.gz PKVTXQNBVUTNKY-STQMWFEESA-N 1 1 365.739 2.786 10 5 FFBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192384527 509496555 /nfs/dbraw/zinc/49/65/55/509496555.db2.gz CQWLYMXFPOJAAF-PWSUYJOCSA-N 1 1 370.247 2.816 10 5 FFBEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000116248478 508491999 /nfs/dbraw/zinc/49/19/99/508491999.db2.gz HXAISSZQIYKVKR-DYVFJYSZSA-N 1 1 372.400 2.769 10 5 FFBEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000154553400 508808028 /nfs/dbraw/zinc/80/80/28/508808028.db2.gz QYNATXINNUKYHK-GDBMZVCRSA-N 1 1 371.441 2.900 10 5 FFBEMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(c3cc[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000195505145 509198118 /nfs/dbraw/zinc/19/81/18/509198118.db2.gz YAISONATNUPJJB-CYBMUJFWSA-N 1 1 357.414 2.833 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000188817087 509277836 /nfs/dbraw/zinc/27/78/36/509277836.db2.gz FEXNGCNBYWPESF-MRXNPFEDSA-N 1 1 369.425 2.976 10 5 FFBEMO Cc1nc(CN2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000179212014 509321833 /nfs/dbraw/zinc/32/18/33/509321833.db2.gz SDRMFJQZLJGEBQ-QPJJXVBHSA-N 1 1 357.414 2.507 10 5 FFBEMO Cc1nc(CN2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000179212014 509321839 /nfs/dbraw/zinc/32/18/39/509321839.db2.gz SDRMFJQZLJGEBQ-QPJJXVBHSA-N 1 1 357.414 2.507 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000189826174 509773286 /nfs/dbraw/zinc/77/32/86/509773286.db2.gz OWBVEMGEGPETRJ-HNNXBMFYSA-N 1 1 363.458 2.901 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000189826174 509773295 /nfs/dbraw/zinc/77/32/95/509773295.db2.gz OWBVEMGEGPETRJ-HNNXBMFYSA-N 1 1 363.458 2.901 10 5 FFBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000177043157 509835548 /nfs/dbraw/zinc/83/55/48/509835548.db2.gz CTZCUOINRCRPDT-CYBMUJFWSA-N 1 1 364.402 2.676 10 5 FFBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000177154071 509905207 /nfs/dbraw/zinc/90/52/07/509905207.db2.gz COXVGWVVRYRWOS-OAHLLOKOSA-N 1 1 358.398 2.560 10 5 FFBEMO O=C(CC[N@H+]1CCCN(c2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000183775358 509969662 /nfs/dbraw/zinc/96/96/62/509969662.db2.gz PUHPQJGADTZVJC-UHFFFAOYSA-N 1 1 369.425 2.531 10 5 FFBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000245531782 509988413 /nfs/dbraw/zinc/98/84/13/509988413.db2.gz UCHRXVRMDRMXMB-ZWNOBZJWSA-N 1 1 357.357 2.655 10 5 FFBEMO CCOCC[N@H+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1CC ZINC000184202311 510190498 /nfs/dbraw/zinc/19/04/98/510190498.db2.gz LKQYTWLBNJIFTC-HNNXBMFYSA-N 1 1 369.437 2.675 10 5 FFBEMO CC[N@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177696723 510205233 /nfs/dbraw/zinc/20/52/33/510205233.db2.gz DOTKZSOIKSIEQV-JSGCOSHPSA-N 1 1 368.865 2.991 10 5 FFBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000246254560 510392455 /nfs/dbraw/zinc/39/24/55/510392455.db2.gz JVBWWCKRJGBNPS-DOTOQJQBSA-N 1 1 367.409 2.551 10 5 FFBEMO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171890739 510432479 /nfs/dbraw/zinc/43/24/79/510432479.db2.gz KNISSQAUEGQOCC-LLVKDONJSA-N 1 1 356.329 2.508 10 5 FFBEMO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[N@H+](C2CC2)CC1 ZINC000178516225 510641664 /nfs/dbraw/zinc/64/16/64/510641664.db2.gz ZEWGYSTVOJIVKU-UHFFFAOYSA-N 1 1 357.332 2.924 10 5 FFBEMO CC[N@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159081782 728900359 /nfs/dbraw/zinc/90/03/59/728900359.db2.gz GQULQIKYZISFFK-JTQLQIEISA-N 1 1 356.220 2.571 10 5 FFBEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192551347 251287081 /nfs/dbraw/zinc/28/70/81/251287081.db2.gz SXVZWADFCVGLIF-LBPRGKRZSA-N 1 1 370.475 2.684 10 5 FFBEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192551347 251287084 /nfs/dbraw/zinc/28/70/84/251287084.db2.gz SXVZWADFCVGLIF-LBPRGKRZSA-N 1 1 370.475 2.684 10 5 FFBEMO CCOc1cccc(N2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1[N+](=O)[O-] ZINC000302229896 258097437 /nfs/dbraw/zinc/09/74/37/258097437.db2.gz RONMCPFYMNSXLL-UHFFFAOYSA-N 1 1 357.414 2.727 10 5 FFBEMO CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000112713142 508213872 /nfs/dbraw/zinc/21/38/72/508213872.db2.gz PIKULNRMXUQCTN-UHFFFAOYSA-N 1 1 372.429 2.551 10 5 FFBEMO CCn1cc(C[N@H+]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000112713142 508213874 /nfs/dbraw/zinc/21/38/74/508213874.db2.gz PIKULNRMXUQCTN-UHFFFAOYSA-N 1 1 372.429 2.551 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000127561373 508469024 /nfs/dbraw/zinc/46/90/24/508469024.db2.gz ZIKMGFQOTXGNHN-AWEZNQCLSA-N 1 1 364.446 2.786 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000127561373 508469028 /nfs/dbraw/zinc/46/90/28/508469028.db2.gz ZIKMGFQOTXGNHN-AWEZNQCLSA-N 1 1 364.446 2.786 10 5 FFBEMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116318347 508498432 /nfs/dbraw/zinc/49/84/32/508498432.db2.gz RPRAHEGLKOBBED-OCCSQVGLSA-N 1 1 368.397 2.929 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000188817069 509277286 /nfs/dbraw/zinc/27/72/86/509277286.db2.gz FEXNGCNBYWPESF-INIZCTEOSA-N 1 1 369.425 2.976 10 5 FFBEMO CCOC(=O)c1cc(N2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000192740184 509621946 /nfs/dbraw/zinc/62/19/46/509621946.db2.gz UQBCVNNRQPLBQP-OAHLLOKOSA-N 1 1 358.398 2.945 10 5 FFBEMO Cc1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000249462406 509687584 /nfs/dbraw/zinc/68/75/84/509687584.db2.gz PFUBTZSBDBGCLL-PBHICJAKSA-N 1 1 363.439 2.937 10 5 FFBEMO Cc1nc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000249462406 509687588 /nfs/dbraw/zinc/68/75/88/509687588.db2.gz PFUBTZSBDBGCLL-PBHICJAKSA-N 1 1 363.439 2.937 10 5 FFBEMO Cn1cc(CN2CC[N@H+]3CCCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245552937 510001905 /nfs/dbraw/zinc/00/19/05/510001905.db2.gz DWDLYNGKYMZORY-SFHVURJKSA-N 1 1 355.442 2.665 10 5 FFBEMO CCOCC[N@H+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1CC ZINC000184202295 510190385 /nfs/dbraw/zinc/19/03/85/510190385.db2.gz LKQYTWLBNJIFTC-OAHLLOKOSA-N 1 1 369.437 2.675 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000190645184 510258695 /nfs/dbraw/zinc/25/86/95/510258695.db2.gz CXKKFQDRQAXOHU-OAHLLOKOSA-N 1 1 372.400 2.723 10 5 FFBEMO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000175117501 510490073 /nfs/dbraw/zinc/49/00/73/510490073.db2.gz XMQIINIBUFBOPB-OAHLLOKOSA-N 1 1 363.458 2.679 10 5 FFBEMO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172179231 510586486 /nfs/dbraw/zinc/58/64/86/510586486.db2.gz PAIVFPJTOVJCIH-CYBMUJFWSA-N 1 1 355.866 2.773 10 5 FFBEMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106166045 250247121 /nfs/dbraw/zinc/24/71/21/250247121.db2.gz PYOFWPXDJFBOIQ-AWEZNQCLSA-N 1 1 371.441 2.610 10 5 FFBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000106180964 250250866 /nfs/dbraw/zinc/25/08/66/250250866.db2.gz HUIJAALFYRRELX-OAHLLOKOSA-N 1 1 359.430 2.724 10 5 FFBEMO Cc1[nH+]ccn1-c1ccc(CNc2ccc([N+](=O)[O-])cc2C(N)=O)cc1F ZINC000301128009 258027638 /nfs/dbraw/zinc/02/76/38/258027638.db2.gz ROCOOIWHHGKWFA-UHFFFAOYSA-N 1 1 369.356 2.939 10 5 FFBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081568906 508191061 /nfs/dbraw/zinc/19/10/61/508191061.db2.gz UMMGQKKTMVNYIC-ZDUSSCGKSA-N 1 1 365.430 2.894 10 5 FFBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081568906 508191063 /nfs/dbraw/zinc/19/10/63/508191063.db2.gz UMMGQKKTMVNYIC-ZDUSSCGKSA-N 1 1 365.430 2.894 10 5 FFBEMO 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350.415 2.739 10 5 FFBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000246068776 510275131 /nfs/dbraw/zinc/27/51/31/510275131.db2.gz CKRXAUNMQIWBIR-GWCFXTLKSA-N 1 1 357.332 2.922 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171647316 510278166 /nfs/dbraw/zinc/27/81/66/510278166.db2.gz JKAVHAHILLWIAQ-OAHLLOKOSA-N 1 1 369.425 2.671 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171647316 510278170 /nfs/dbraw/zinc/27/81/70/510278170.db2.gz JKAVHAHILLWIAQ-OAHLLOKOSA-N 1 1 369.425 2.671 10 5 FFBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000181308515 510350255 /nfs/dbraw/zinc/35/02/55/510350255.db2.gz PADDQRLQUZKZHN-HNNXBMFYSA-N 1 1 356.426 2.915 10 5 FFBEMO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195096820 510669438 /nfs/dbraw/zinc/66/94/38/510669438.db2.gz BWRMEZJEMZWRDH-INIZCTEOSA-N 1 1 358.442 2.505 10 5 FFBEMO 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OGUAHLSSFJHWAN-UHFFFAOYSA-N 1 1 369.487 2.894 10 5 FFBEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000191979747 509275301 /nfs/dbraw/zinc/27/53/01/509275301.db2.gz OGUAHLSSFJHWAN-UHFFFAOYSA-N 1 1 369.487 2.894 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000245421027 509921021 /nfs/dbraw/zinc/92/10/21/509921021.db2.gz HTSHFVFUFKLFQG-KBPBESRZSA-N 1 1 366.849 2.745 10 5 FFBEMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246073031 510277737 /nfs/dbraw/zinc/27/77/37/510277737.db2.gz CBRTVIRLMHQZMQ-GJZGRUSLSA-N 1 1 369.425 2.751 10 5 FFBEMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246073031 510277743 /nfs/dbraw/zinc/27/77/43/510277743.db2.gz CBRTVIRLMHQZMQ-GJZGRUSLSA-N 1 1 369.425 2.751 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000175036470 510452424 /nfs/dbraw/zinc/45/24/24/510452424.db2.gz VISDCXCFPDAYPI-DOTOQJQBSA-N 1 1 360.458 2.790 10 5 FFBEMO C[C@H]1C[N@H+](C2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CCO1 ZINC000172179961 510585821 /nfs/dbraw/zinc/58/58/21/510585821.db2.gz YLPSSYHSHDHBRA-ZDUSSCGKSA-N 1 1 353.850 2.933 10 5 FFBEMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000375872505 512546985 /nfs/dbraw/zinc/54/69/85/512546985.db2.gz FRQBTYXKAAAKSW-UONOGXRCSA-N 1 1 362.386 2.592 10 5 FFBEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408183069 513016911 /nfs/dbraw/zinc/01/69/11/513016911.db2.gz NUCRAUOYUZUFRK-NVXWUHKLSA-N 1 1 372.469 2.894 10 5 FFBEMO CC(C)(C)OC(=O)n1cnc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2[N+](=O)[O-])c1 ZINC000575153735 519529942 /nfs/dbraw/zinc/52/99/42/519529942.db2.gz GTGYNBNHBFNXOS-DOTOQJQBSA-N 1 1 372.425 2.911 10 5 FFBEMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000140434726 728741508 /nfs/dbraw/zinc/74/15/08/728741508.db2.gz JTOHCOQZPBMCNI-PXAZEXFGSA-N 1 1 367.833 2.814 10 5 FFBEMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000140434726 728741509 /nfs/dbraw/zinc/74/15/09/728741509.db2.gz JTOHCOQZPBMCNI-PXAZEXFGSA-N 1 1 367.833 2.814 10 5 FFBEMO Cc1c(C[N@H+](C)C2CCN(CCn3cccn3)CC2)cccc1[N+](=O)[O-] ZINC000106128892 250240355 /nfs/dbraw/zinc/24/03/55/250240355.db2.gz OOYAIUBPQQCRNC-UHFFFAOYSA-N 1 1 357.458 2.696 10 5 FFBEMO Cc1c(CN(C)C2CC[NH+](CCn3cccn3)CC2)cccc1[N+](=O)[O-] ZINC000106128892 250240359 /nfs/dbraw/zinc/24/03/59/250240359.db2.gz OOYAIUBPQQCRNC-UHFFFAOYSA-N 1 1 357.458 2.696 10 5 FFBEMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000302788816 258110904 /nfs/dbraw/zinc/11/09/04/258110904.db2.gz CYMVNZFDOSKUEV-LJQANCHMSA-N 1 1 359.401 2.807 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000301598448 258058016 /nfs/dbraw/zinc/05/80/16/258058016.db2.gz TYIIMYGVEGJWSE-GHMZBOCLSA-N 1 1 355.236 2.815 10 5 FFBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000152559621 508470202 /nfs/dbraw/zinc/47/02/02/508470202.db2.gz OVGNLWDOBPWQLC-INIZCTEOSA-N 1 1 357.414 2.900 10 5 FFBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116245783 508491827 /nfs/dbraw/zinc/49/18/27/508491827.db2.gz SPACSSLXGRKBTK-HNAYVOBHSA-N 1 1 368.437 2.939 10 5 FFBEMO Cn1cc([C@H]2CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cn1 ZINC000153930068 508679287 /nfs/dbraw/zinc/67/92/87/508679287.db2.gz HKVGBDSBYMQRFG-AWEZNQCLSA-N 1 1 353.382 2.973 10 5 FFBEMO COc1ccc(NC(=O)CC[NH+]2CCC(c3ccn[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000160533575 508999492 /nfs/dbraw/zinc/99/94/92/508999492.db2.gz FHMIMTQPMXIPMJ-UHFFFAOYSA-N 1 1 373.413 2.535 10 5 FFBEMO CC(C)[N@@H+]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155774750 509069699 /nfs/dbraw/zinc/06/96/99/509069699.db2.gz KPWXFUDKALYAAF-JSGCOSHPSA-N 1 1 369.849 2.862 10 5 FFBEMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000161122873 509074152 /nfs/dbraw/zinc/07/41/52/509074152.db2.gz HZQDGKZXXRTNKY-KGLIPLIRSA-N 1 1 370.331 2.618 10 5 FFBEMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000161122873 509074154 /nfs/dbraw/zinc/07/41/54/509074154.db2.gz HZQDGKZXXRTNKY-KGLIPLIRSA-N 1 1 370.331 2.618 10 5 FFBEMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCN(CCn2cccn2)CC1 ZINC000121197296 509148503 /nfs/dbraw/zinc/14/85/03/509148503.db2.gz IYAYUQMBPBGUSP-QPJJXVBHSA-N 1 1 369.469 2.901 10 5 FFBEMO CN(C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000121197296 509148505 /nfs/dbraw/zinc/14/85/05/509148505.db2.gz IYAYUQMBPBGUSP-QPJJXVBHSA-N 1 1 369.469 2.901 10 5 FFBEMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000191799944 509187195 /nfs/dbraw/zinc/18/71/95/509187195.db2.gz VUUVESHKJBXBJX-UHFFFAOYSA-N 1 1 364.446 2.541 10 5 FFBEMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000191799944 509187201 /nfs/dbraw/zinc/18/72/01/509187201.db2.gz VUUVESHKJBXBJX-UHFFFAOYSA-N 1 1 364.446 2.541 10 5 FFBEMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)CC[C@H]21 ZINC000247953274 509196636 /nfs/dbraw/zinc/19/66/36/509196636.db2.gz FGSCAKJDNZSOCI-MAUKXSAKSA-N 1 1 372.469 2.751 10 5 FFBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000179713226 509586181 /nfs/dbraw/zinc/58/61/81/509586181.db2.gz UBUPVJLMZDADKA-ZDUSSCGKSA-N 1 1 367.409 2.721 10 5 FFBEMO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000179713226 509586192 /nfs/dbraw/zinc/58/61/92/509586192.db2.gz UBUPVJLMZDADKA-ZDUSSCGKSA-N 1 1 367.409 2.721 10 5 FFBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000179713226 509586199 /nfs/dbraw/zinc/58/61/99/509586199.db2.gz UBUPVJLMZDADKA-ZDUSSCGKSA-N 1 1 367.409 2.721 10 5 FFBEMO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192961790 509716322 /nfs/dbraw/zinc/71/63/22/509716322.db2.gz RKCYIHIBEWKXBN-CVEARBPZSA-N 1 1 357.414 2.835 10 5 FFBEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)no1 ZINC000193856777 510103264 /nfs/dbraw/zinc/10/32/64/510103264.db2.gz HWVVYTGGTMTUIX-LBPRGKRZSA-N 1 1 361.358 2.649 10 5 FFBEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)no1 ZINC000193856777 510103273 /nfs/dbraw/zinc/10/32/73/510103273.db2.gz HWVVYTGGTMTUIX-LBPRGKRZSA-N 1 1 361.358 2.649 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246254386 510390433 /nfs/dbraw/zinc/39/04/33/510390433.db2.gz XDEZFYCTRWKHFP-PWSUYJOCSA-N 1 1 368.231 2.666 10 5 FFBEMO O=C(c1cc(N2CCC[N@H+](C3CC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000171831648 510396264 /nfs/dbraw/zinc/39/62/64/510396264.db2.gz HPOUHLJVNNJYSD-UHFFFAOYSA-N 1 1 358.442 2.505 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000175036452 510451297 /nfs/dbraw/zinc/45/12/97/510451297.db2.gz VISDCXCFPDAYPI-NVXWUHKLSA-N 1 1 360.458 2.790 10 5 FFBEMO CCn1cc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3COC)CC2)cn1 ZINC000175101948 510483794 /nfs/dbraw/zinc/48/37/94/510483794.db2.gz OWVQUEOUCCOAST-UHFFFAOYSA-N 1 1 373.457 2.670 10 5 FFBEMO C[C@@H]1C[N@H+](C2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CCO1 ZINC000172021249 510502621 /nfs/dbraw/zinc/50/26/21/510502621.db2.gz WSDRTRKPLYJPME-CYBMUJFWSA-N 1 1 353.850 2.933 10 5 FFBEMO CC[N@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000175167365 510514342 /nfs/dbraw/zinc/51/43/42/510514342.db2.gz ZDZWPRDVMJQDMZ-INIZCTEOSA-N 1 1 360.458 2.751 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000175436831 510646008 /nfs/dbraw/zinc/64/60/08/510646008.db2.gz ROCOZLYCQOIFOA-CHWSQXEVSA-N 1 1 362.386 2.510 10 5 FFBEMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247152107 510845895 /nfs/dbraw/zinc/84/58/95/510845895.db2.gz IIYDYADCQVECAL-CRAIPNDOSA-N 1 1 368.437 2.939 10 5 FFBEMO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000408114420 513003109 /nfs/dbraw/zinc/00/31/09/513003109.db2.gz XVAPHSMWJUYNKH-HUUCEWRRSA-N 1 1 360.458 2.607 10 5 FFBEMO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000408114420 513003112 /nfs/dbraw/zinc/00/31/12/513003112.db2.gz XVAPHSMWJUYNKH-HUUCEWRRSA-N 1 1 360.458 2.607 10 5 FFBEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155112174 728820855 /nfs/dbraw/zinc/82/08/55/728820855.db2.gz OTXLPOCDCHJVJN-NSHDSACASA-N 1 1 371.235 2.963 10 5 FFBEMO Cc1nc(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000103150263 250137156 /nfs/dbraw/zinc/13/71/56/250137156.db2.gz GMSUKIQJBFTZGD-AWEZNQCLSA-N 1 1 373.413 2.570 10 5 FFBEMO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192551333 251287442 /nfs/dbraw/zinc/28/74/42/251287442.db2.gz SXVZWADFCVGLIF-GFCCVEGCSA-N 1 1 370.475 2.684 10 5 FFBEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192551333 251287446 /nfs/dbraw/zinc/28/74/46/251287446.db2.gz SXVZWADFCVGLIF-GFCCVEGCSA-N 1 1 370.475 2.684 10 5 FFBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000109676278 507979737 /nfs/dbraw/zinc/97/97/37/507979737.db2.gz NCRUMEYOPQGOKR-CYBMUJFWSA-N 1 1 373.369 2.739 10 5 FFBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482925 508320600 /nfs/dbraw/zinc/32/06/00/508320600.db2.gz MLQCBQDTJFEBPV-MRXNPFEDSA-N 1 1 373.413 2.882 10 5 FFBEMO CCCn1cc(CN2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000106158566 508396388 /nfs/dbraw/zinc/39/63/88/508396388.db2.gz NRORTCVFZQLGPN-UHFFFAOYSA-N 1 1 357.458 2.909 10 5 FFBEMO CCCn1cc(C[N@@H+]2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000106158566 508396390 /nfs/dbraw/zinc/39/63/90/508396390.db2.gz NRORTCVFZQLGPN-UHFFFAOYSA-N 1 1 357.458 2.909 10 5 FFBEMO CCCn1cc(C[N@H+]2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000106158566 508396392 /nfs/dbraw/zinc/39/63/92/508396392.db2.gz NRORTCVFZQLGPN-UHFFFAOYSA-N 1 1 357.458 2.909 10 5 FFBEMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](Oc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000152451061 508449198 /nfs/dbraw/zinc/44/91/98/508449198.db2.gz IAQGSDAZAMYLPC-MRXNPFEDSA-N 1 1 370.409 2.780 10 5 FFBEMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000120180428 508945166 /nfs/dbraw/zinc/94/51/66/508945166.db2.gz CHAHDMUBMVQNKH-ZGRWHYIRSA-N 1 1 353.426 2.999 10 5 FFBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000120744271 509057072 /nfs/dbraw/zinc/05/70/72/509057072.db2.gz KJNHZDKRCFHPJQ-MRXNPFEDSA-N 1 1 367.409 2.815 10 5 FFBEMO Cc1nc(CN2CCC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)no1 ZINC000182753705 509411680 /nfs/dbraw/zinc/41/16/80/509411680.db2.gz RXEYBIZPAUKUDX-CQSZACIVSA-N 1 1 359.430 2.864 10 5 FFBEMO Cc1nc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000189773876 509743444 /nfs/dbraw/zinc/74/34/44/509743444.db2.gz PFUBTZSBDBGCLL-YOEHRIQHSA-N 1 1 363.439 2.937 10 5 FFBEMO Cc1nc([C@@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000189773876 509743453 /nfs/dbraw/zinc/74/34/53/509743453.db2.gz PFUBTZSBDBGCLL-YOEHRIQHSA-N 1 1 363.439 2.937 10 5 FFBEMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1SC ZINC000171291993 510059464 /nfs/dbraw/zinc/05/94/64/510059464.db2.gz OZIIGGGMNWSCOB-GFCCVEGCSA-N 1 1 365.455 2.636 10 5 FFBEMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1SC ZINC000171291993 510059473 /nfs/dbraw/zinc/05/94/73/510059473.db2.gz OZIIGGGMNWSCOB-GFCCVEGCSA-N 1 1 365.455 2.636 10 5 FFBEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)no1 ZINC000193856812 510103354 /nfs/dbraw/zinc/10/33/54/510103354.db2.gz HWVVYTGGTMTUIX-GFCCVEGCSA-N 1 1 361.358 2.649 10 5 FFBEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)no1 ZINC000193856812 510103363 /nfs/dbraw/zinc/10/33/63/510103363.db2.gz HWVVYTGGTMTUIX-GFCCVEGCSA-N 1 1 361.358 2.649 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000190448769 510138444 /nfs/dbraw/zinc/13/84/44/510138444.db2.gz SGFLZMBCFVKHHC-CQSZACIVSA-N 1 1 372.454 2.657 10 5 FFBEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)no1 ZINC000171408225 510139981 /nfs/dbraw/zinc/13/99/81/510139981.db2.gz OBLIOSPPDKVPHA-ZDUSSCGKSA-N 1 1 374.397 2.607 10 5 FFBEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)no1 ZINC000171408225 510139985 /nfs/dbraw/zinc/13/99/85/510139985.db2.gz OBLIOSPPDKVPHA-ZDUSSCGKSA-N 1 1 374.397 2.607 10 5 FFBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000171479447 510186282 /nfs/dbraw/zinc/18/62/82/510186282.db2.gz ZJRFYYDUSFITLY-LLVKDONJSA-N 1 1 353.444 2.539 10 5 FFBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190578956 510219828 /nfs/dbraw/zinc/21/98/28/510219828.db2.gz YAXVRNMOYWSGHK-KRWDZBQOSA-N 1 1 368.437 2.892 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000175040263 510454024 /nfs/dbraw/zinc/45/40/24/510454024.db2.gz HQLFJYWZZPTWRF-HZPDHXFCSA-N 1 1 360.458 2.790 10 5 FFBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000175038498 510454180 /nfs/dbraw/zinc/45/41/80/510454180.db2.gz UVDUDMHEEQISOR-GDBMZVCRSA-N 1 1 357.414 2.703 10 5 FFBEMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246595722 510575029 /nfs/dbraw/zinc/57/50/29/510575029.db2.gz CWWBEHFVMHPKKJ-DOXZYTNZSA-N 1 1 361.442 2.857 10 5 FFBEMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246595722 510575033 /nfs/dbraw/zinc/57/50/33/510575033.db2.gz CWWBEHFVMHPKKJ-DOXZYTNZSA-N 1 1 361.442 2.857 10 5 FFBEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000178753457 510754195 /nfs/dbraw/zinc/75/41/95/510754195.db2.gz LWLCGQVKRGXLIY-INIZCTEOSA-N 1 1 371.441 2.901 10 5 FFBEMO COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000182104377 510760192 /nfs/dbraw/zinc/76/01/92/510760192.db2.gz IBEXHKVMGHPCHI-AWEZNQCLSA-N 1 1 357.410 2.854 10 5 FFBEMO Cc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000408027696 512986331 /nfs/dbraw/zinc/98/63/31/512986331.db2.gz AVQHMPZZVCZDQJ-GJZGRUSLSA-N 1 1 370.247 2.575 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000301598451 258057930 /nfs/dbraw/zinc/05/79/30/258057930.db2.gz TYIIMYGVEGJWSE-QWRGUYRKSA-N 1 1 355.236 2.815 10 5 FFBEMO Cc1cccc(N2CCC(NC(=O)Cc3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000116668290 508544543 /nfs/dbraw/zinc/54/45/43/508544543.db2.gz LPAXCCALKVVHGH-UHFFFAOYSA-N 1 1 354.410 2.626 10 5 FFBEMO Cn1cc([C@@H]2CC[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000128361723 508582597 /nfs/dbraw/zinc/58/25/97/508582597.db2.gz UINUYPTXBNAOOA-OAHLLOKOSA-N 1 1 366.425 2.718 10 5 FFBEMO Cc1ccc(N2CCC(NC(=O)Cc3ccccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000157710499 508601054 /nfs/dbraw/zinc/60/10/54/508601054.db2.gz RVFYMULBNLYDGX-UHFFFAOYSA-N 1 1 354.410 2.626 10 5 FFBEMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000267439359 509485282 /nfs/dbraw/zinc/48/52/82/509485282.db2.gz HDDAQIXRUIKGMI-GFCCVEGCSA-N 1 1 368.231 2.668 10 5 FFBEMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000267439359 509485295 /nfs/dbraw/zinc/48/52/95/509485295.db2.gz HDDAQIXRUIKGMI-GFCCVEGCSA-N 1 1 368.231 2.668 10 5 FFBEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193519143 509947934 /nfs/dbraw/zinc/94/79/34/509947934.db2.gz RLLWEVVYDJVPLW-ZDUSSCGKSA-N 1 1 361.471 2.900 10 5 FFBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245520588 509981523 /nfs/dbraw/zinc/98/15/23/509981523.db2.gz JSLBDQDGJZBYQD-PWSUYJOCSA-N 1 1 355.341 2.505 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000190448024 510136267 /nfs/dbraw/zinc/13/62/67/510136267.db2.gz VQOUCQGBOICUEL-CQSZACIVSA-N 1 1 361.833 2.997 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000190637285 510254036 /nfs/dbraw/zinc/25/40/36/510254036.db2.gz YGXKLAVDDMUWPU-CQSZACIVSA-N 1 1 360.439 2.645 10 5 FFBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171646114 510275308 /nfs/dbraw/zinc/27/53/08/510275308.db2.gz CBRTVIRLMHQZMQ-HUUCEWRRSA-N 1 1 369.425 2.751 10 5 FFBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171646114 510275317 /nfs/dbraw/zinc/27/53/17/510275317.db2.gz CBRTVIRLMHQZMQ-HUUCEWRRSA-N 1 1 369.425 2.751 10 5 FFBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181213833 510304765 /nfs/dbraw/zinc/30/47/65/510304765.db2.gz WYTBFEANFNQGDA-ZDUSSCGKSA-N 1 1 372.381 2.560 10 5 FFBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000175040503 510453269 /nfs/dbraw/zinc/45/32/69/510453269.db2.gz HYJHBLOHEPNDPP-GOEBONIOSA-N 1 1 357.414 2.703 10 5 FFBEMO Cn1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1 ZINC000181682904 510536885 /nfs/dbraw/zinc/53/68/85/510536885.db2.gz FNQWRLJNCBVPKZ-INIZCTEOSA-N 1 1 361.377 2.633 10 5 FFBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246534506 510541668 /nfs/dbraw/zinc/54/16/68/510541668.db2.gz AJXRZHLGXAOZMU-KXBFYZLASA-N 1 1 361.442 2.859 10 5 FFBEMO C[C@H]1C[N@H+](C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CCO1 ZINC000182080382 510745212 /nfs/dbraw/zinc/74/52/12/510745212.db2.gz DAXVQULHKUSAGT-ZDUSSCGKSA-N 1 1 353.850 2.933 10 5 FFBEMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000195272380 510750956 /nfs/dbraw/zinc/75/09/56/510750956.db2.gz BWHGIGYDXBUJKG-SFHVURJKSA-N 1 1 370.453 2.823 10 5 FFBEMO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000195272380 510750961 /nfs/dbraw/zinc/75/09/61/510750961.db2.gz BWHGIGYDXBUJKG-SFHVURJKSA-N 1 1 370.453 2.823 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000195272380 510750964 /nfs/dbraw/zinc/75/09/64/510750964.db2.gz BWHGIGYDXBUJKG-SFHVURJKSA-N 1 1 370.453 2.823 10 5 FFBEMO CCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000106867451 507824937 /nfs/dbraw/zinc/82/49/37/507824937.db2.gz HTDZOCCJFLSTMY-WMZOPIPTSA-N 1 1 352.431 2.616 10 5 FFBEMO Cc1cc(N2CCC(N(C)c3cc(C)c([N+](=O)[O-])cn3)CC2)nc(C)[nH+]1 ZINC000074746153 508051993 /nfs/dbraw/zinc/05/19/93/508051993.db2.gz ORFKSLPGPQXFML-UHFFFAOYSA-N 1 1 356.430 2.810 10 5 FFBEMO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000128739546 508637303 /nfs/dbraw/zinc/63/73/03/508637303.db2.gz SUEKCXJDDDHENR-ZDUSSCGKSA-N 1 1 357.332 2.924 10 5 FFBEMO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000128739546 508637304 /nfs/dbraw/zinc/63/73/04/508637304.db2.gz SUEKCXJDDDHENR-ZDUSSCGKSA-N 1 1 357.332 2.924 10 5 FFBEMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC000195501966 509195895 /nfs/dbraw/zinc/19/58/95/509195895.db2.gz LJZVMDWAPDJDHR-AWEZNQCLSA-N 1 1 371.441 2.843 10 5 FFBEMO C[N@@H+](CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Cc1ccc(F)cc1 ZINC000248581139 509376374 /nfs/dbraw/zinc/37/63/74/509376374.db2.gz VVMNMBJFAPPZMJ-QGZVFWFLSA-N 1 1 373.432 2.747 10 5 FFBEMO CN(CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Cc1ccc(F)cc1 ZINC000248581139 509376380 /nfs/dbraw/zinc/37/63/80/509376380.db2.gz VVMNMBJFAPPZMJ-QGZVFWFLSA-N 1 1 373.432 2.747 10 5 FFBEMO CN(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Cc1ccc(F)cc1 ZINC000248581139 509376383 /nfs/dbraw/zinc/37/63/83/509376383.db2.gz VVMNMBJFAPPZMJ-QGZVFWFLSA-N 1 1 373.432 2.747 10 5 FFBEMO COc1ccc(OCC[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000173700567 509728288 /nfs/dbraw/zinc/72/82/88/509728288.db2.gz ZHAKTSXYPUZLPE-HNNXBMFYSA-N 1 1 360.414 2.824 10 5 FFBEMO CC[C@@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000189826788 509772951 /nfs/dbraw/zinc/77/29/51/509772951.db2.gz UZDRUHSMSOSUJP-MRXNPFEDSA-N 1 1 363.458 2.901 10 5 FFBEMO CC[C@@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000189826788 509772957 /nfs/dbraw/zinc/77/29/57/509772957.db2.gz UZDRUHSMSOSUJP-MRXNPFEDSA-N 1 1 363.458 2.901 10 5 FFBEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(CC)c([N+](=O)[O-])c2)C[C@H]1CC ZINC000174244619 510022478 /nfs/dbraw/zinc/02/24/78/510022478.db2.gz IQBQPSQJWDFXRG-QGZVFWFLSA-N 1 1 363.458 2.730 10 5 FFBEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(CC)c([N+](=O)[O-])c2)C[C@H]1CC ZINC000174244619 510022481 /nfs/dbraw/zinc/02/24/81/510022481.db2.gz IQBQPSQJWDFXRG-QGZVFWFLSA-N 1 1 363.458 2.730 10 5 FFBEMO COc1cc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c([N+](=O)[O-])cc1F ZINC000184199407 510188658 /nfs/dbraw/zinc/18/86/58/510188658.db2.gz PACNCPYODMMLIG-LBPRGKRZSA-N 1 1 364.377 2.889 10 5 FFBEMO COc1cc(C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c([N+](=O)[O-])cc1F ZINC000184199407 510188660 /nfs/dbraw/zinc/18/86/60/510188660.db2.gz PACNCPYODMMLIG-LBPRGKRZSA-N 1 1 364.377 2.889 10 5 FFBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190573979 510215125 /nfs/dbraw/zinc/21/51/25/510215125.db2.gz FAGSUCVYMBWRFM-SFHVURJKSA-N 1 1 368.437 2.513 10 5 FFBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246742188 510647840 /nfs/dbraw/zinc/64/78/40/510647840.db2.gz BALLVAGIJWENRH-WWGRRREGSA-N 1 1 351.472 2.920 10 5 FFBEMO