smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000364348088 784977568 /nfs/dbraw/zinc/97/75/68/784977568.db2.gz QDVKIWPZJVQKBA-HYVNUMGLSA-N 1 3 364.446 1.236 20 5 FDBDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000364348088 784977575 /nfs/dbraw/zinc/97/75/75/784977575.db2.gz QDVKIWPZJVQKBA-HYVNUMGLSA-N 1 3 364.446 1.236 20 5 FDBDHO CN1CCN(CCCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000566080533 547591533 /nfs/dbraw/zinc/59/15/33/547591533.db2.gz QAUWDNJORVEDJM-IRXDYDNUSA-N 1 3 364.494 1.892 20 5 FDBDHO COC(=O)COc1ccc(CN2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000430908563 779515830 /nfs/dbraw/zinc/51/58/30/779515830.db2.gz WINBSTZRYZOMMS-UHFFFAOYSA-N 1 3 363.414 1.722 20 5 FDBDHO COC(=O)COc1ccc(CN(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000475712219 831871482 /nfs/dbraw/zinc/87/14/82/831871482.db2.gz AGOZPVCKNZMFCR-UHFFFAOYSA-N 1 3 365.430 1.920 20 5 FDBDHO [NH3+]CCc1nc(-c2ccccc2)nn1-c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001168714963 873990754 /nfs/dbraw/zinc/99/07/54/873990754.db2.gz OEQBQDPCJUHSMX-UHFFFAOYSA-N 1 3 350.382 1.947 20 5 FDBDHO CNC(=O)[C@H](CCCC[NH3+])N[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173186437 961956215 /nfs/dbraw/zinc/95/62/15/961956215.db2.gz RVWYGFGRUQZRGG-AAEUAGOBSA-N 1 3 370.425 1.507 20 5 FDBDHO Cc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000414483634 537821192 /nfs/dbraw/zinc/82/11/92/537821192.db2.gz NEEOCPBCZCFBKO-UHFFFAOYSA-N 1 3 362.474 1.789 20 5 FDBDHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000482149165 568285530 /nfs/dbraw/zinc/28/55/30/568285530.db2.gz VEOAHDRJEGSERV-USXIJHARSA-N 1 3 353.467 1.642 20 5 FDBDHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000482149165 568285531 /nfs/dbraw/zinc/28/55/31/568285531.db2.gz VEOAHDRJEGSERV-USXIJHARSA-N 1 3 353.467 1.642 20 5 FDBDHO Cc1c(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000261864081 774525171 /nfs/dbraw/zinc/52/51/71/774525171.db2.gz NLVPXLNHDBAJJZ-NVXWUHKLSA-N 1 3 360.458 1.983 20 5 FDBDHO CC(C)N1CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178001292 174167243 /nfs/dbraw/zinc/16/72/43/174167243.db2.gz XYKXJBJPDOGIMR-UHFFFAOYSA-N 1 3 370.475 1.336 20 5 FDBDHO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000369270416 260327467 /nfs/dbraw/zinc/32/74/67/260327467.db2.gz YNQYRARDNJZSGL-VQIMIIECSA-N 1 3 362.474 1.931 20 5 FDBDHO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000369270416 260327468 /nfs/dbraw/zinc/32/74/68/260327468.db2.gz YNQYRARDNJZSGL-VQIMIIECSA-N 1 3 362.474 1.931 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000280248667 537392505 /nfs/dbraw/zinc/39/25/05/537392505.db2.gz BVRKVDKGGLQSOE-SCTDSRPQSA-N 1 3 371.441 1.216 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000280248667 537392515 /nfs/dbraw/zinc/39/25/15/537392515.db2.gz BVRKVDKGGLQSOE-SCTDSRPQSA-N 1 3 371.441 1.216 20 5 FDBDHO COC(=O)COc1ccc(CNCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000473999069 538811864 /nfs/dbraw/zinc/81/18/64/538811864.db2.gz GWOGUICWEBSIAL-UHFFFAOYSA-N 1 3 365.430 1.968 20 5 FDBDHO CN1CCN(CCCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000566080530 547591299 /nfs/dbraw/zinc/59/12/99/547591299.db2.gz QAUWDNJORVEDJM-DLBZAZTESA-N 1 3 364.494 1.892 20 5 FDBDHO C[C@@H]1C[N@H+](CCCNC[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000571434217 549644603 /nfs/dbraw/zinc/64/46/03/549644603.db2.gz YMHOCTHOTKLGFH-CVEARBPZSA-N 1 3 367.446 1.425 20 5 FDBDHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000571434217 549644607 /nfs/dbraw/zinc/64/46/07/549644607.db2.gz YMHOCTHOTKLGFH-CVEARBPZSA-N 1 3 367.446 1.425 20 5 FDBDHO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000597941497 552848451 /nfs/dbraw/zinc/84/84/51/552848451.db2.gz BDRFYOHXYUKTDM-ZDUSSCGKSA-N 1 3 352.435 1.605 20 5 FDBDHO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000597941497 552848453 /nfs/dbraw/zinc/84/84/53/552848453.db2.gz BDRFYOHXYUKTDM-ZDUSSCGKSA-N 1 3 352.435 1.605 20 5 FDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855346308 970305799 /nfs/dbraw/zinc/30/57/99/970305799.db2.gz VVMASOWBBQOUBI-BBRMVZONSA-N 1 3 352.435 1.016 20 5 FDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855346308 970305804 /nfs/dbraw/zinc/30/58/04/970305804.db2.gz VVMASOWBBQOUBI-BBRMVZONSA-N 1 3 352.435 1.016 20 5 FDBDHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000268 174167233 /nfs/dbraw/zinc/16/72/33/174167233.db2.gz WKNSDOBMKLTRES-IOASZLSFSA-N 1 3 370.475 1.191 20 5 FDBDHO CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[C@H]1[NH3+] ZINC000592489520 552000930 /nfs/dbraw/zinc/00/09/30/552000930.db2.gz YFMQREOIAJCEQX-GXTWGEPZSA-N 1 3 350.419 1.991 20 5 FDBDHO CN1CC=C(CNc2ncnc(NCC3=CC[N@H+](C)CC3)c2[N+](=O)[O-])CC1 ZINC000603327196 553764844 /nfs/dbraw/zinc/76/48/44/553764844.db2.gz AXEONQFIBOIJLE-UHFFFAOYSA-N 1 3 373.461 1.732 20 5 FDBDHO CN1CC=C(CNc2ncnc(NCC3=CC[N@@H+](C)CC3)c2[N+](=O)[O-])CC1 ZINC000603327196 553764845 /nfs/dbraw/zinc/76/48/45/553764845.db2.gz AXEONQFIBOIJLE-UHFFFAOYSA-N 1 3 373.461 1.732 20 5 FDBDHO COc1ccc(NC(=O)CCN2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430567458 681082478 /nfs/dbraw/zinc/08/24/78/681082478.db2.gz DNCGPDGTNLZBHA-CHWSQXEVSA-N 1 3 350.419 1.991 20 5 FDBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168923914 525621612 /nfs/dbraw/zinc/62/16/12/525621612.db2.gz WQXZJFGEOKSZDZ-KRWDZBQOSA-N 1 3 364.490 1.944 20 5 FDBDHO CC1CCN(C[C@H](O)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000571208997 549566279 /nfs/dbraw/zinc/56/62/79/549566279.db2.gz KYNCZZIFAVZQJI-SJORKVTESA-N 1 3 367.446 1.017 20 5 FDBDHO Cc1c(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000261864094 774520916 /nfs/dbraw/zinc/52/09/16/774520916.db2.gz NLVPXLNHDBAJJZ-WBVHZDCISA-N 1 3 360.458 1.983 20 5 FDBDHO Cc1c(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000261864073 774526002 /nfs/dbraw/zinc/52/60/02/774526002.db2.gz NLVPXLNHDBAJJZ-DOTOQJQBSA-N 1 3 360.458 1.983 20 5 FDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000557026592 544236453 /nfs/dbraw/zinc/23/64/53/544236453.db2.gz HQLCJXOTESEEKS-UHFFFAOYSA-N 1 3 374.445 1.346 20 5 FDBDHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000077780136 523463938 /nfs/dbraw/zinc/46/39/38/523463938.db2.gz RGYQEXSYZRPNSZ-CQSZACIVSA-N 1 3 351.451 1.791 20 5 FDBDHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3N)CC2)CC1 ZINC000176289315 525076547 /nfs/dbraw/zinc/07/65/47/525076547.db2.gz DYGAKFGUBLGYMZ-UHFFFAOYSA-N 1 3 361.446 1.465 20 5 FDBDHO CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[C@@H]1[NH3+] ZINC000592489524 552001123 /nfs/dbraw/zinc/00/11/23/552001123.db2.gz YFMQREOIAJCEQX-OCCSQVGLSA-N 1 3 350.419 1.991 20 5 FDBDHO CNc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000597942932 552848765 /nfs/dbraw/zinc/84/87/65/552848765.db2.gz QHHBKATYBWYOEW-ZDUSSCGKSA-N 1 3 351.451 1.638 20 5 FDBDHO CNc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000597942932 552848766 /nfs/dbraw/zinc/84/87/66/552848766.db2.gz QHHBKATYBWYOEW-ZDUSSCGKSA-N 1 3 351.451 1.638 20 5 FDBDHO CN(C)/C=C/c1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164932261 721877584 /nfs/dbraw/zinc/87/75/84/721877584.db2.gz HPJWFTULUCTDKD-VBXGELDYSA-N 1 3 374.489 1.737 20 5 FDBDHO CN(C)/C=C/c1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164932261 721877585 /nfs/dbraw/zinc/87/75/85/721877585.db2.gz HPJWFTULUCTDKD-VBXGELDYSA-N 1 3 374.489 1.737 20 5 FDBDHO O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000923431295 889230495 /nfs/dbraw/zinc/23/04/95/889230495.db2.gz OGCLHILRVRLQCX-CEXWTWQISA-N 1 3 360.458 1.529 20 5 FDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000855345726 970304024 /nfs/dbraw/zinc/30/40/24/970304024.db2.gz HGCYVABDUCHHPX-LBPRGKRZSA-N 1 3 367.406 1.505 20 5 FDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000855345726 970304031 /nfs/dbraw/zinc/30/40/31/970304031.db2.gz HGCYVABDUCHHPX-LBPRGKRZSA-N 1 3 367.406 1.505 20 5 FDBDHO CN1CCN(CCCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000558573381 544470892 /nfs/dbraw/zinc/47/08/92/544470892.db2.gz KZSPXTKBMRVTHY-UHFFFAOYSA-N 1 3 363.462 1.541 20 5 FDBDHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162105173 525214355 /nfs/dbraw/zinc/21/43/55/525214355.db2.gz UFMFROONQQAZJD-IOASZLSFSA-N 1 3 370.475 1.191 20 5 FDBDHO Cc1c([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cccc1[N+](=O)[O-] ZINC000168924192 525622084 /nfs/dbraw/zinc/62/20/84/525622084.db2.gz LZICRYLZUHHKST-QGZVFWFLSA-N 1 3 364.490 1.944 20 5 FDBDHO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247559922 537134704 /nfs/dbraw/zinc/13/47/04/537134704.db2.gz QRZFSXYJYWSLBU-PKOBYXMFSA-N 1 3 373.457 1.606 20 5 FDBDHO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247559922 537134707 /nfs/dbraw/zinc/13/47/07/537134707.db2.gz QRZFSXYJYWSLBU-PKOBYXMFSA-N 1 3 373.457 1.606 20 5 FDBDHO C[NH+]1CCC(CNCc2ccc([N+](=O)[O-])cc2F)(N2CCOCC2)CC1 ZINC000414491970 537826011 /nfs/dbraw/zinc/82/60/11/537826011.db2.gz ZVOYDKURRJKRHH-UHFFFAOYSA-N 1 3 366.437 1.620 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596845079 552717163 /nfs/dbraw/zinc/71/71/63/552717163.db2.gz UBJAQLSYAWLCFN-ZDUSSCGKSA-N 1 3 367.450 1.997 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596845079 552717165 /nfs/dbraw/zinc/71/71/65/552717165.db2.gz UBJAQLSYAWLCFN-ZDUSSCGKSA-N 1 3 367.450 1.997 20 5 FDBDHO COc1cc(CC[NH2+]C[C@@H](O)CN2CCCC2)c([N+](=O)[O-])cc1OC ZINC000603464295 553791568 /nfs/dbraw/zinc/79/15/68/553791568.db2.gz WZCIJKXMQBYXML-CQSZACIVSA-N 1 3 353.419 1.201 20 5 FDBDHO C[C@H]1C[NH+](CC2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000365326228 677356251 /nfs/dbraw/zinc/35/62/51/677356251.db2.gz JTOQDDYZUAUTAN-GJZGRUSLSA-N 1 3 351.451 1.613 20 5 FDBDHO O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000923431297 889230285 /nfs/dbraw/zinc/23/02/85/889230285.db2.gz OGCLHILRVRLQCX-OTWHNJEPSA-N 1 3 360.458 1.529 20 5 FDBDHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169023999 928248424 /nfs/dbraw/zinc/24/84/24/928248424.db2.gz WPKMOXHYHVYUSP-DOTOQJQBSA-N 1 3 362.474 1.256 20 5 FDBDHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169023999 928248431 /nfs/dbraw/zinc/24/84/31/928248431.db2.gz WPKMOXHYHVYUSP-DOTOQJQBSA-N 1 3 362.474 1.256 20 5 FDBDHO C[NH+](C)CCNC(=O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171656234 258267945 /nfs/dbraw/zinc/26/79/45/258267945.db2.gz XCPQIHQQRMOMNB-UHFFFAOYSA-N 1 3 364.446 1.363 20 5 FDBDHO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCN(c2ccncc2)CC1 ZINC000367884910 260105234 /nfs/dbraw/zinc/10/52/34/260105234.db2.gz IZXGGOPOKIHBNN-SFHVURJKSA-N 1 3 374.445 1.396 20 5 FDBDHO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCN(c2ccncc2)CC1 ZINC000367884910 260105235 /nfs/dbraw/zinc/10/52/35/260105235.db2.gz IZXGGOPOKIHBNN-SFHVURJKSA-N 1 3 374.445 1.396 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000075625769 522946396 /nfs/dbraw/zinc/94/63/96/522946396.db2.gz CKUFCUKYFOGFOT-GOSISDBHSA-N 1 3 365.478 1.740 20 5 FDBDHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967561 553497031 /nfs/dbraw/zinc/49/70/31/553497031.db2.gz KLONVVKHVHFBMF-SZVBFZGTSA-N 1 3 373.457 1.510 20 5 FDBDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967561 553497033 /nfs/dbraw/zinc/49/70/33/553497033.db2.gz KLONVVKHVHFBMF-SZVBFZGTSA-N 1 3 373.457 1.510 20 5 FDBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967561 553497035 /nfs/dbraw/zinc/49/70/35/553497035.db2.gz KLONVVKHVHFBMF-SZVBFZGTSA-N 1 3 373.457 1.510 20 5 FDBDHO CC[NH+]1CCC(N2CCCN(CCn3c(C)ncc3[N+](=O)[O-])CC2)CC1 ZINC000602847019 553650107 /nfs/dbraw/zinc/65/01/07/553650107.db2.gz QMXOVESWIKYTRZ-UHFFFAOYSA-N 1 3 364.494 1.592 20 5 FDBDHO CN(C)C(=O)CC[NH+]1CCC(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819042732 943391887 /nfs/dbraw/zinc/39/18/87/943391887.db2.gz LGNHWURYYBZGJD-QGZVFWFLSA-N 1 3 364.446 1.161 20 5 FDBDHO O=c1ccc([N+](=O)[O-])cn1CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000090551391 172266885 /nfs/dbraw/zinc/26/68/85/172266885.db2.gz QMUOWMSAXFMYDP-UHFFFAOYSA-N 1 3 364.446 1.333 20 5 FDBDHO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000374324473 261110726 /nfs/dbraw/zinc/11/07/26/261110726.db2.gz MHLRKLASDPKIOE-QFBILLFUSA-N 1 3 362.474 1.931 20 5 FDBDHO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000374324473 261110727 /nfs/dbraw/zinc/11/07/27/261110727.db2.gz MHLRKLASDPKIOE-QFBILLFUSA-N 1 3 362.474 1.931 20 5 FDBDHO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000374324475 261110980 /nfs/dbraw/zinc/11/09/80/261110980.db2.gz MHLRKLASDPKIOE-VQIMIIECSA-N 1 3 362.474 1.931 20 5 FDBDHO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000374324475 261110981 /nfs/dbraw/zinc/11/09/81/261110981.db2.gz MHLRKLASDPKIOE-VQIMIIECSA-N 1 3 362.474 1.931 20 5 FDBDHO Cn1cc(C[NH2+]CC2(O)CCN(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000077450482 523339665 /nfs/dbraw/zinc/33/96/65/523339665.db2.gz UIUQUGXZYONFGJ-UHFFFAOYSA-N 1 3 359.430 1.542 20 5 FDBDHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162105448 525213001 /nfs/dbraw/zinc/21/30/01/525213001.db2.gz UFMFROONQQAZJD-XJKCOSOUSA-N 1 3 370.475 1.191 20 5 FDBDHO Cc1ccc([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000168915855 525621813 /nfs/dbraw/zinc/62/18/13/525621813.db2.gz PQZGBOIZZMRUGU-KRWDZBQOSA-N 1 3 364.490 1.944 20 5 FDBDHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574442918 550314794 /nfs/dbraw/zinc/31/47/94/550314794.db2.gz CUFFDFMIKXVZFD-SFHVURJKSA-N 1 3 361.446 1.782 20 5 FDBDHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574442918 550314797 /nfs/dbraw/zinc/31/47/97/550314797.db2.gz CUFFDFMIKXVZFD-SFHVURJKSA-N 1 3 361.446 1.782 20 5 FDBDHO COc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000597941882 552848727 /nfs/dbraw/zinc/84/87/27/552848727.db2.gz GCUFOSCJQPMZFO-ZDUSSCGKSA-N 1 3 352.435 1.605 20 5 FDBDHO COc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000597941882 552848728 /nfs/dbraw/zinc/84/87/28/552848728.db2.gz GCUFOSCJQPMZFO-ZDUSSCGKSA-N 1 3 352.435 1.605 20 5 FDBDHO COc1cc(CC[NH2+]C[C@H](O)CN2CCCC2)c([N+](=O)[O-])cc1OC ZINC000603464294 553791640 /nfs/dbraw/zinc/79/16/40/553791640.db2.gz WZCIJKXMQBYXML-AWEZNQCLSA-N 1 3 353.419 1.201 20 5 FDBDHO CC1CC[NH+](C[C@H](O)CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618567997 555651743 /nfs/dbraw/zinc/65/17/43/555651743.db2.gz GTZCOKHDOUHKLW-IXDOHACOSA-N 1 3 365.478 1.957 20 5 FDBDHO COc1ccc(NC(=O)CCN2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430567463 681082456 /nfs/dbraw/zinc/08/24/56/681082456.db2.gz DNCGPDGTNLZBHA-STQMWFEESA-N 1 3 350.419 1.991 20 5 FDBDHO Cn1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262113448 774844552 /nfs/dbraw/zinc/84/45/52/774844552.db2.gz KTPWLNXAINYVDA-SFHVURJKSA-N 1 3 370.457 1.475 20 5 FDBDHO COC(=O)COc1ccc(CN2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000261954810 817622258 /nfs/dbraw/zinc/62/22/58/817622258.db2.gz GMPTUKLQFFGRNV-UHFFFAOYSA-N 1 3 363.414 1.722 20 5 FDBDHO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000374324469 261110615 /nfs/dbraw/zinc/11/06/15/261110615.db2.gz MHLRKLASDPKIOE-APWZRJJASA-N 1 3 362.474 1.931 20 5 FDBDHO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000374324469 261110617 /nfs/dbraw/zinc/11/06/17/261110617.db2.gz MHLRKLASDPKIOE-APWZRJJASA-N 1 3 362.474 1.931 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000567678911 548207911 /nfs/dbraw/zinc/20/79/11/548207911.db2.gz DWKRAYWLPWOICD-HKUYNNGSSA-N 1 3 373.457 1.306 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000567678911 548207916 /nfs/dbraw/zinc/20/79/16/548207916.db2.gz DWKRAYWLPWOICD-HKUYNNGSSA-N 1 3 373.457 1.306 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000567678911 548207920 /nfs/dbraw/zinc/20/79/20/548207920.db2.gz DWKRAYWLPWOICD-HKUYNNGSSA-N 1 3 373.457 1.306 20 5 FDBDHO Cc1c(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cccc1[N+](=O)[O-] ZINC000597942777 552848822 /nfs/dbraw/zinc/84/88/22/552848822.db2.gz OKUFEDJRIDZNQC-AWEZNQCLSA-N 1 3 350.463 1.834 20 5 FDBDHO Cc1c(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cccc1[N+](=O)[O-] ZINC000597942777 552848823 /nfs/dbraw/zinc/84/88/23/552848823.db2.gz OKUFEDJRIDZNQC-AWEZNQCLSA-N 1 3 350.463 1.834 20 5 FDBDHO COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000597943370 552849001 /nfs/dbraw/zinc/84/90/01/552849001.db2.gz ZSWUSNLFJVUWFT-ZDUSSCGKSA-N 1 3 352.435 1.605 20 5 FDBDHO COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000597943370 552849003 /nfs/dbraw/zinc/84/90/03/552849003.db2.gz ZSWUSNLFJVUWFT-ZDUSSCGKSA-N 1 3 352.435 1.605 20 5 FDBDHO CCOCCC[N@@H+]1CC[C@@H](NCCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602810764 553642471 /nfs/dbraw/zinc/64/24/71/553642471.db2.gz IUTXHWHTTVEXPN-GOEBONIOSA-N 1 3 353.467 1.826 20 5 FDBDHO CCOCCC[N@H+]1CC[C@@H](NCCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602810764 553642474 /nfs/dbraw/zinc/64/24/74/553642474.db2.gz IUTXHWHTTVEXPN-GOEBONIOSA-N 1 3 353.467 1.826 20 5 FDBDHO CNC(=O)[C@H](CCCC[NH3+])N[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173186443 961956521 /nfs/dbraw/zinc/95/65/21/961956521.db2.gz RVWYGFGRUQZRGG-YPMHNXCESA-N 1 3 370.425 1.507 20 5 FDBDHO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000776595812 967349581 /nfs/dbraw/zinc/34/95/81/967349581.db2.gz AYPLAEDWRGWKCM-AYOQOUSVSA-N 1 3 362.474 1.586 20 5 FDBDHO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000776595812 967349586 /nfs/dbraw/zinc/34/95/86/967349586.db2.gz AYPLAEDWRGWKCM-AYOQOUSVSA-N 1 3 362.474 1.586 20 5 FDBDHO CC1CCN(C[C@@H](O)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581071599 551049193 /nfs/dbraw/zinc/04/91/93/551049193.db2.gz GWAMOZGAKUDTMO-HOTGVXAUSA-N 1 3 367.446 1.017 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000541525434 541224239 /nfs/dbraw/zinc/22/42/39/541224239.db2.gz ZGBDOAIFBJAADH-UHFFFAOYSA-N 1 3 367.450 1.238 20 5 FDBDHO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000114199055 524759491 /nfs/dbraw/zinc/75/94/91/524759491.db2.gz FIFFUBVBTPPMIC-ZDUSSCGKSA-N 1 3 350.419 1.816 20 5 FDBDHO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000114199055 524759503 /nfs/dbraw/zinc/75/95/03/524759503.db2.gz FIFFUBVBTPPMIC-ZDUSSCGKSA-N 1 3 350.419 1.816 20 5 FDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423389865 538389332 /nfs/dbraw/zinc/38/93/32/538389332.db2.gz LYRACQBJPUNPCN-IUODEOHRSA-N 1 3 360.380 1.952 20 5 FDBDHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000565348146 547314019 /nfs/dbraw/zinc/31/40/19/547314019.db2.gz BXUGGFAPNIPFMN-AWEZNQCLSA-N 1 3 351.451 1.791 20 5 FDBDHO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H](N4CC[NH2+]CC4)C3)o2)c1 ZINC000583997607 551432210 /nfs/dbraw/zinc/43/22/10/551432210.db2.gz MSPHJBOKPOHVDD-QGZVFWFLSA-N 1 3 371.441 1.772 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736165 552187322 /nfs/dbraw/zinc/18/73/22/552187322.db2.gz IILXGWDFXAZETM-UGSOOPFHSA-N 1 3 362.430 1.993 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000593736165 552187324 /nfs/dbraw/zinc/18/73/24/552187324.db2.gz IILXGWDFXAZETM-UGSOOPFHSA-N 1 3 362.430 1.993 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000593736165 552187326 /nfs/dbraw/zinc/18/73/26/552187326.db2.gz IILXGWDFXAZETM-UGSOOPFHSA-N 1 3 362.430 1.993 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596626959 552695078 /nfs/dbraw/zinc/69/50/78/552695078.db2.gz SNZVUDFMNLAIDR-ZDUSSCGKSA-N 1 3 367.450 1.997 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596626959 552695080 /nfs/dbraw/zinc/69/50/80/552695080.db2.gz SNZVUDFMNLAIDR-ZDUSSCGKSA-N 1 3 367.450 1.997 20 5 FDBDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000482149164 568285542 /nfs/dbraw/zinc/28/55/42/568285542.db2.gz VEOAHDRJEGSERV-UAGQMJEPSA-N 1 3 353.467 1.642 20 5 FDBDHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000482149164 568285543 /nfs/dbraw/zinc/28/55/43/568285543.db2.gz VEOAHDRJEGSERV-UAGQMJEPSA-N 1 3 353.467 1.642 20 5 FDBDHO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CC[NH+](C)CC1 ZINC000894975013 819425059 /nfs/dbraw/zinc/42/50/59/819425059.db2.gz KEGXFUWDKWNTJK-UHFFFAOYSA-N 1 3 370.475 1.147 20 5 FDBDHO C[NH+](C)CCC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181569540 174233674 /nfs/dbraw/zinc/23/36/74/174233674.db2.gz JKHKHKRZMNGWRP-INIZCTEOSA-N 1 3 351.447 1.998 20 5 FDBDHO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000161960283 525194714 /nfs/dbraw/zinc/19/47/14/525194714.db2.gz RVOFKDNSFXZBFW-CZUORRHYSA-N 1 3 370.475 1.193 20 5 FDBDHO COC(=O)COc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000414771445 537904769 /nfs/dbraw/zinc/90/47/69/537904769.db2.gz QYPLATXCUOCKJQ-GASCZTMLSA-N 1 3 363.414 1.578 20 5 FDBDHO CCN1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447539401 538387679 /nfs/dbraw/zinc/38/76/79/538387679.db2.gz GKHZQXWWOHNUMP-SJORKVTESA-N 1 3 364.494 1.892 20 5 FDBDHO CN1CCN(CCCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000566080535 547591758 /nfs/dbraw/zinc/59/17/58/547591758.db2.gz QAUWDNJORVEDJM-SJORKVTESA-N 1 3 364.494 1.892 20 5 FDBDHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000571434221 549644407 /nfs/dbraw/zinc/64/44/07/549644407.db2.gz YMHOCTHOTKLGFH-JKSUJKDBSA-N 1 3 367.446 1.425 20 5 FDBDHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000571434221 549644409 /nfs/dbraw/zinc/64/44/09/549644409.db2.gz YMHOCTHOTKLGFH-JKSUJKDBSA-N 1 3 367.446 1.425 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000572082800 549837794 /nfs/dbraw/zinc/83/77/94/549837794.db2.gz FUTONTPRPRIDQU-GOSISDBHSA-N 1 3 359.430 1.538 20 5 FDBDHO CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[C@@H]1[NH3+] ZINC000592489522 552001057 /nfs/dbraw/zinc/00/10/57/552001057.db2.gz YFMQREOIAJCEQX-JSGCOSHPSA-N 1 3 350.419 1.991 20 5 FDBDHO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1N[C@@H]1CCN(C2CC2)C1 ZINC000596091378 552654248 /nfs/dbraw/zinc/65/42/48/552654248.db2.gz JEKPLCMDOODKPZ-UONOGXRCSA-N 1 3 372.473 2.287 20 5 FDBDHO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)nc1N[C@@H]1CCN(C2CC2)C1 ZINC000596091378 552654250 /nfs/dbraw/zinc/65/42/50/552654250.db2.gz JEKPLCMDOODKPZ-UONOGXRCSA-N 1 3 372.473 2.287 20 5 FDBDHO CN(C)/C=C\c1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164932258 721877381 /nfs/dbraw/zinc/87/73/81/721877381.db2.gz HPJWFTULUCTDKD-KZKKIBMZSA-N 1 3 374.489 1.737 20 5 FDBDHO CN(C)/C=C\c1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164932258 721877383 /nfs/dbraw/zinc/87/73/83/721877383.db2.gz HPJWFTULUCTDKD-KZKKIBMZSA-N 1 3 374.489 1.737 20 5 FDBDHO CN(C)/C=C/c1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164932260 721877394 /nfs/dbraw/zinc/87/73/94/721877394.db2.gz HPJWFTULUCTDKD-QQQVMXRDSA-N 1 3 374.489 1.737 20 5 FDBDHO CN(C)/C=C/c1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164932260 721877396 /nfs/dbraw/zinc/87/73/96/721877396.db2.gz HPJWFTULUCTDKD-QQQVMXRDSA-N 1 3 374.489 1.737 20 5 FDBDHO O=C(CC[NH2+]C[C@H](O)CN1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000514727341 539018505 /nfs/dbraw/zinc/01/85/05/539018505.db2.gz URJVDZRDKVUPBM-AWEZNQCLSA-N 1 3 350.419 1.360 20 5 FDBDHO CN1CCN(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000331717475 259215297 /nfs/dbraw/zinc/21/52/97/259215297.db2.gz HDTXIYZXSMIXPL-JKSUJKDBSA-N 1 3 364.494 1.891 20 5 FDBDHO C[N@H+](C[C@@H]1CC12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2)C1CC1 ZINC000378354392 262009735 /nfs/dbraw/zinc/00/97/35/262009735.db2.gz GRDPBZGMGHUJLG-HNNXBMFYSA-N 1 3 360.458 1.953 20 5 FDBDHO C[N@@H+](C[C@@H]1CC12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2)C1CC1 ZINC000378354392 262009738 /nfs/dbraw/zinc/00/97/38/262009738.db2.gz GRDPBZGMGHUJLG-HNNXBMFYSA-N 1 3 360.458 1.953 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000075625772 522945257 /nfs/dbraw/zinc/94/52/57/522945257.db2.gz CKUFCUKYFOGFOT-SFHVURJKSA-N 1 3 365.478 1.740 20 5 FDBDHO CN1CCN([C@@H]2CCCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000182903316 535884395 /nfs/dbraw/zinc/88/43/95/535884395.db2.gz JQISUZIPZWCDDT-MOPGFXCFSA-N 1 3 362.474 1.730 20 5 FDBDHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000569111915 548801291 /nfs/dbraw/zinc/80/12/91/548801291.db2.gz DUGMGFXMYFVWLL-DOTOQJQBSA-N 1 3 367.446 1.425 20 5 FDBDHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000569111915 548801296 /nfs/dbraw/zinc/80/12/96/548801296.db2.gz DUGMGFXMYFVWLL-DOTOQJQBSA-N 1 3 367.446 1.425 20 5 FDBDHO CC(C)Oc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000582532830 551237261 /nfs/dbraw/zinc/23/72/61/551237261.db2.gz ATLQOLSHYIUZDN-UHFFFAOYSA-N 1 3 366.462 1.947 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430540757 681080513 /nfs/dbraw/zinc/08/05/13/681080513.db2.gz AMZOSJXPQNJOEA-STQMWFEESA-N 1 3 350.419 1.991 20 5 FDBDHO Cc1c(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000261864087 774526063 /nfs/dbraw/zinc/52/60/63/774526063.db2.gz NLVPXLNHDBAJJZ-RDJZCZTQSA-N 1 3 360.458 1.983 20 5 FDBDHO CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC[C@@H]3CC[N@@H+]3C)c2)CC1 ZINC000934036475 780653168 /nfs/dbraw/zinc/65/31/68/780653168.db2.gz IBQSXOWTXRLNJD-AWEZNQCLSA-N 1 3 362.434 1.172 20 5 FDBDHO CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC[C@@H]3CC[N@H+]3C)c2)CC1 ZINC000934036475 780653170 /nfs/dbraw/zinc/65/31/70/780653170.db2.gz IBQSXOWTXRLNJD-AWEZNQCLSA-N 1 3 362.434 1.172 20 5 FDBDHO CN1CC[C@]2(CC[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000428998792 879444169 /nfs/dbraw/zinc/44/41/69/879444169.db2.gz KQEYTWHAIWFWEO-SFHVURJKSA-N 1 3 360.414 1.920 20 5 FDBDHO CN1CC[C@]2(CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000428998792 879444175 /nfs/dbraw/zinc/44/41/75/879444175.db2.gz KQEYTWHAIWFWEO-SFHVURJKSA-N 1 3 360.414 1.920 20 5 FDBDHO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000819172928 943460045 /nfs/dbraw/zinc/46/00/45/943460045.db2.gz HOICOFXVKWIOKS-CEXWTWQISA-N 1 3 363.458 1.986 20 5 FDBDHO C[NH+](C)CCOc1cc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000819195828 943470623 /nfs/dbraw/zinc/47/06/23/943470623.db2.gz KSWJOPGAVVZFFS-QGZVFWFLSA-N 1 3 360.414 1.753 20 5 FDBDHO C[NH+](C)CCOc1cc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000819196111 943470723 /nfs/dbraw/zinc/47/07/23/943470723.db2.gz OZMJRJVRBRTLEB-KRWDZBQOSA-N 1 3 360.414 1.753 20 5 FDBDHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592922 967278224 /nfs/dbraw/zinc/27/82/24/967278224.db2.gz CUIRSRNTSKGALE-SFHVURJKSA-N 1 3 350.463 1.586 20 5 FDBDHO Cc1c(NC(=O)CCN2CCC(O)(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000931485161 1004202213 /nfs/dbraw/zinc/20/22/13/1004202213.db2.gz VYSAVCFGQWACPU-UHFFFAOYSA-N 1 3 364.446 1.620 20 5 FDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(O)(C[NH+](C)C)CC1 ZINC000931485280 1004202604 /nfs/dbraw/zinc/20/26/04/1004202604.db2.gz YZNJAAJYHVBBCL-UHFFFAOYSA-N 1 3 364.446 1.620 20 5 FDBDHO C[C@@H]1C[NH+](CC2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)C[C@@H](C)O1 ZINC000176226146 174059564 /nfs/dbraw/zinc/05/95/64/174059564.db2.gz PBHZKKLEOBYMGT-HUUCEWRRSA-N 1 3 351.451 1.613 20 5 FDBDHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181569558 174233519 /nfs/dbraw/zinc/23/35/19/174233519.db2.gz JKHKHKRZMNGWRP-MRXNPFEDSA-N 1 3 351.447 1.998 20 5 FDBDHO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174721146 524707260 /nfs/dbraw/zinc/70/72/60/524707260.db2.gz KVUVHBLTPXFEQO-HNNXBMFYSA-N 1 3 363.462 1.491 20 5 FDBDHO COc1ccc(NC(=O)CCN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000567891251 548311489 /nfs/dbraw/zinc/31/14/89/548311489.db2.gz STAVCAKMNUUAPG-NWANDNLSSA-N 1 3 362.430 1.991 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000571802022 549769060 /nfs/dbraw/zinc/76/90/60/549769060.db2.gz JTURPDHAUBTZJQ-NWANDNLSSA-N 1 3 362.430 1.991 20 5 FDBDHO CC1CCN(C[C@H](O)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581071598 551049188 /nfs/dbraw/zinc/04/91/88/551049188.db2.gz GWAMOZGAKUDTMO-CVEARBPZSA-N 1 3 367.446 1.017 20 5 FDBDHO COc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1[N+](=O)[O-] ZINC000597941727 552848370 /nfs/dbraw/zinc/84/83/70/552848370.db2.gz DAMSQJWWXIWMBB-ZDUSSCGKSA-N 1 3 352.435 1.605 20 5 FDBDHO COc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1[N+](=O)[O-] ZINC000597941727 552848371 /nfs/dbraw/zinc/84/83/71/552848371.db2.gz DAMSQJWWXIWMBB-ZDUSSCGKSA-N 1 3 352.435 1.605 20 5 FDBDHO COc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c([N+](=O)[O-])cc1F ZINC000597943335 552849168 /nfs/dbraw/zinc/84/91/68/552849168.db2.gz YIQJHYOZRAGETG-LBPRGKRZSA-N 1 3 370.425 1.744 20 5 FDBDHO COc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c([N+](=O)[O-])cc1F ZINC000597943335 552849169 /nfs/dbraw/zinc/84/91/69/552849169.db2.gz YIQJHYOZRAGETG-LBPRGKRZSA-N 1 3 370.425 1.744 20 5 FDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000602797413 553640934 /nfs/dbraw/zinc/64/09/34/553640934.db2.gz IRIXLBXVOMZFCQ-HOCLYGCPSA-N 1 3 350.467 1.058 20 5 FDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000602797413 553640935 /nfs/dbraw/zinc/64/09/35/553640935.db2.gz IRIXLBXVOMZFCQ-HOCLYGCPSA-N 1 3 350.467 1.058 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430540151 681080328 /nfs/dbraw/zinc/08/03/28/681080328.db2.gz GLBBGLCIDOSTSF-OLZOCXBDSA-N 1 3 350.419 1.991 20 5 FDBDHO NCc1cn([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420380824 813634829 /nfs/dbraw/zinc/63/48/29/813634829.db2.gz OIBKEIJPUXOWCC-MRXNPFEDSA-N 1 3 373.417 1.311 20 5 FDBDHO NCc1cn([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420380824 813634833 /nfs/dbraw/zinc/63/48/33/813634833.db2.gz OIBKEIJPUXOWCC-MRXNPFEDSA-N 1 3 373.417 1.311 20 5 FDBDHO CN1CC[NH+](C[C@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367110222 814328465 /nfs/dbraw/zinc/32/84/65/814328465.db2.gz LTQUWHUAJNHOAH-KRWDZBQOSA-N 1 3 362.474 1.933 20 5 FDBDHO C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000542716985 541452671 /nfs/dbraw/zinc/45/26/71/541452671.db2.gz ULDQQPXFUXUZEZ-CYBMUJFWSA-N 1 3 354.426 1.789 20 5 FDBDHO CN1CCN(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000331717474 259215344 /nfs/dbraw/zinc/21/53/44/259215344.db2.gz HDTXIYZXSMIXPL-HZPDHXFCSA-N 1 3 364.494 1.891 20 5 FDBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168923823 525621706 /nfs/dbraw/zinc/62/17/06/525621706.db2.gz WQXZJFGEOKSZDZ-QGZVFWFLSA-N 1 3 364.490 1.944 20 5 FDBDHO O=C1CC[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])[C@H](C2CC[NH2+]CC2)N1 ZINC000414994777 537952257 /nfs/dbraw/zinc/95/22/57/537952257.db2.gz VIRZERZIKIAZOP-HSLQUGRPSA-N 1 3 358.442 1.844 20 5 FDBDHO O=[N+]([O-])c1cnn(CCN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000595904904 552631505 /nfs/dbraw/zinc/63/15/05/552631505.db2.gz FJEIETBBIROXNN-UHFFFAOYSA-N 1 3 373.461 1.861 20 5 FDBDHO O=[N+]([O-])c1cnn(CCN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000595904904 552631506 /nfs/dbraw/zinc/63/15/06/552631506.db2.gz FJEIETBBIROXNN-UHFFFAOYSA-N 1 3 373.461 1.861 20 5 FDBDHO COC(=O)COc1ccc(CN2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261992526 672707889 /nfs/dbraw/zinc/70/78/89/672707889.db2.gz SOCBETWJPXPKIM-CYBMUJFWSA-N 1 3 351.403 1.707 20 5 FDBDHO COc1ccc(NC(=O)CCN2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420419239 680443600 /nfs/dbraw/zinc/44/36/00/680443600.db2.gz XKEIEBTZBZOLAC-STQMWFEESA-N 1 3 350.419 1.849 20 5 FDBDHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000364348089 795789514 /nfs/dbraw/zinc/78/95/14/795789514.db2.gz QDVKIWPZJVQKBA-OIISXLGYSA-N 1 3 364.446 1.236 20 5 FDBDHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000364348089 795789516 /nfs/dbraw/zinc/78/95/16/795789516.db2.gz QDVKIWPZJVQKBA-OIISXLGYSA-N 1 3 364.446 1.236 20 5 FDBDHO COC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169049605 928255431 /nfs/dbraw/zinc/25/54/31/928255431.db2.gz WUGNHGOFIQXCHW-ZMSDIMECSA-N 1 3 353.463 1.781 20 5 FDBDHO COC(=O)[C@@H]1CCC[N@H+](C2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169049605 928255443 /nfs/dbraw/zinc/25/54/43/928255443.db2.gz WUGNHGOFIQXCHW-ZMSDIMECSA-N 1 3 353.463 1.781 20 5 FDBDHO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000369270414 260326917 /nfs/dbraw/zinc/32/69/17/260326917.db2.gz YNQYRARDNJZSGL-LPHOPBHVSA-N 1 3 362.474 1.931 20 5 FDBDHO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000369270414 260326919 /nfs/dbraw/zinc/32/69/19/260326919.db2.gz YNQYRARDNJZSGL-LPHOPBHVSA-N 1 3 362.474 1.931 20 5 FDBDHO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174715522 524704335 /nfs/dbraw/zinc/70/43/35/524704335.db2.gz BXEBMHAQTHQMTO-OAHLLOKOSA-N 1 3 363.462 1.491 20 5 FDBDHO COc1ccc(NC(=O)CCN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000567891249 548311327 /nfs/dbraw/zinc/31/13/27/548311327.db2.gz STAVCAKMNUUAPG-AEGPPILISA-N 1 3 362.430 1.991 20 5 FDBDHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467861740 684880895 /nfs/dbraw/zinc/88/08/95/684880895.db2.gz FUUCUHBTQHWCRK-MRXNPFEDSA-N 1 3 350.463 1.636 20 5 FDBDHO C[N@@H+]1CC[C@@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]2C1 ZINC000931437547 1004161523 /nfs/dbraw/zinc/16/15/23/1004161523.db2.gz LHMJOWZADVIHSV-KGLIPLIRSA-N 1 3 360.414 1.776 20 5 FDBDHO C[N@H+]1CC[C@@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]2C1 ZINC000931437547 1004161531 /nfs/dbraw/zinc/16/15/31/1004161531.db2.gz LHMJOWZADVIHSV-KGLIPLIRSA-N 1 3 360.414 1.776 20 5 FDBDHO C[NH+](C)CCC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000056524654 521877570 /nfs/dbraw/zinc/87/75/70/521877570.db2.gz NIHJTYFNCORPPB-KRWDZBQOSA-N 1 3 351.447 1.998 20 5 FDBDHO CCN1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000161960148 525194910 /nfs/dbraw/zinc/19/49/10/525194910.db2.gz RVOFKDNSFXZBFW-CJNGLKHVSA-N 1 3 370.475 1.193 20 5 FDBDHO CCN1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000162103064 525214191 /nfs/dbraw/zinc/21/41/91/525214191.db2.gz BFNUXFZCUIRKCM-CJNGLKHVSA-N 1 3 370.475 1.193 20 5 FDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000104533843 525418391 /nfs/dbraw/zinc/41/83/91/525418391.db2.gz SSMGRONAOHTTNC-UHFFFAOYSA-N 1 3 374.445 1.346 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H]1CC[NH2+]CC1(C)C ZINC000420356862 538277719 /nfs/dbraw/zinc/27/77/19/538277719.db2.gz GWLJDTWYEIZJIA-HNNXBMFYSA-N 1 3 350.419 1.910 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCNCC1(C)C ZINC000420356862 538277724 /nfs/dbraw/zinc/27/77/24/538277724.db2.gz GWLJDTWYEIZJIA-HNNXBMFYSA-N 1 3 350.419 1.910 20 5 FDBDHO CN(C)CCN1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472610803 538669816 /nfs/dbraw/zinc/66/98/16/538669816.db2.gz TVTLSKUVXPVWHQ-SJORKVTESA-N 1 3 364.494 1.891 20 5 FDBDHO C[C@H]1C[N@H+](CCCNC[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000571434219 549644570 /nfs/dbraw/zinc/64/45/70/549644570.db2.gz YMHOCTHOTKLGFH-HOTGVXAUSA-N 1 3 367.446 1.425 20 5 FDBDHO C[C@H]1C[N@@H+](CCCNC[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000571434219 549644573 /nfs/dbraw/zinc/64/45/73/549644573.db2.gz YMHOCTHOTKLGFH-HOTGVXAUSA-N 1 3 367.446 1.425 20 5 FDBDHO [NH3+]C[C@]12CCC[C@H]1CN(CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000593728989 552184580 /nfs/dbraw/zinc/18/45/80/552184580.db2.gz CGTLUMLJYLIWKX-UGSOOPFHSA-N 1 3 360.414 1.954 20 5 FDBDHO NC[C@]12CCC[C@H]1C[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000593728989 552184581 /nfs/dbraw/zinc/18/45/81/552184581.db2.gz CGTLUMLJYLIWKX-UGSOOPFHSA-N 1 3 360.414 1.954 20 5 FDBDHO NC[C@]12CCC[C@H]1C[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000593728989 552184582 /nfs/dbraw/zinc/18/45/82/552184582.db2.gz CGTLUMLJYLIWKX-UGSOOPFHSA-N 1 3 360.414 1.954 20 5 FDBDHO CC(C)c1n[nH]c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000597941890 552848707 /nfs/dbraw/zinc/84/87/07/552848707.db2.gz GHDLJRBWPUGWQI-LBPRGKRZSA-N 1 3 354.455 1.443 20 5 FDBDHO CC(C)c1n[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000597941890 552848708 /nfs/dbraw/zinc/84/87/08/552848708.db2.gz GHDLJRBWPUGWQI-LBPRGKRZSA-N 1 3 354.455 1.443 20 5 FDBDHO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000819173706 943461103 /nfs/dbraw/zinc/46/11/03/943461103.db2.gz LYXVQCQGMJJOFR-IPMKNSEASA-N 1 3 363.458 1.986 20 5 FDBDHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000050802050 522942262 /nfs/dbraw/zinc/94/22/62/522942262.db2.gz MNJUEIXIKJSZRX-UHFFFAOYSA-N 1 3 361.446 1.465 20 5 FDBDHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000077780134 523462988 /nfs/dbraw/zinc/46/29/88/523462988.db2.gz RGYQEXSYZRPNSZ-AWEZNQCLSA-N 1 3 351.451 1.791 20 5 FDBDHO CC1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000571208993 549565794 /nfs/dbraw/zinc/56/57/94/549565794.db2.gz KYNCZZIFAVZQJI-DLBZAZTESA-N 1 3 367.446 1.017 20 5 FDBDHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594963361 552427922 /nfs/dbraw/zinc/42/79/22/552427922.db2.gz JGIPXFCHTMWLQD-AWEZNQCLSA-N 1 3 366.462 1.728 20 5 FDBDHO C[C@@H]1C[N@@H+](CC2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000365325953 677356340 /nfs/dbraw/zinc/35/63/40/677356340.db2.gz JTOQDDYZUAUTAN-GASCZTMLSA-N 1 3 351.451 1.613 20 5 FDBDHO C[C@@H]1C[N@H+](CC2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000365325953 677356343 /nfs/dbraw/zinc/35/63/43/677356343.db2.gz JTOQDDYZUAUTAN-GASCZTMLSA-N 1 3 351.451 1.613 20 5 FDBDHO CN1CC[NH+](C[C@@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367110223 814328282 /nfs/dbraw/zinc/32/82/82/814328282.db2.gz LTQUWHUAJNHOAH-QGZVFWFLSA-N 1 3 362.474 1.933 20 5 FDBDHO CN1CCC([NH+]2CCC(NC[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000818988450 943374920 /nfs/dbraw/zinc/37/49/20/943374920.db2.gz PZMXPMHUCRVJPR-LJQANCHMSA-N 1 3 362.474 1.776 20 5 FDBDHO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000819172931 943459977 /nfs/dbraw/zinc/45/99/77/943459977.db2.gz HOICOFXVKWIOKS-IPMKNSEASA-N 1 3 363.458 1.986 20 5 FDBDHO CN1CC[NH+](CC2(C)CCN(CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000368822889 260242233 /nfs/dbraw/zinc/24/22/33/260242233.db2.gz LSXIJIJGPXUCLF-UHFFFAOYSA-N 1 3 350.467 1.141 20 5 FDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000104532818 525416781 /nfs/dbraw/zinc/41/67/81/525416781.db2.gz PCIOVLMDIWOXMF-UHFFFAOYSA-N 1 3 363.462 1.735 20 5 FDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597941681 552848281 /nfs/dbraw/zinc/84/82/81/552848281.db2.gz CVYDFXJBQYNGHV-LBPRGKRZSA-N 1 3 372.416 1.804 20 5 FDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597941681 552848282 /nfs/dbraw/zinc/84/82/82/552848282.db2.gz CVYDFXJBQYNGHV-LBPRGKRZSA-N 1 3 372.416 1.804 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420417881 680442800 /nfs/dbraw/zinc/44/28/00/680442800.db2.gz WOAJQAHFTPUADL-CHWSQXEVSA-N 1 3 350.419 1.849 20 5 FDBDHO CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC[C@H]3CC[N@@H+]3C)c2)CC1 ZINC000934036477 780653034 /nfs/dbraw/zinc/65/30/34/780653034.db2.gz IBQSXOWTXRLNJD-CQSZACIVSA-N 1 3 362.434 1.172 20 5 FDBDHO CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC[C@H]3CC[N@H+]3C)c2)CC1 ZINC000934036477 780653038 /nfs/dbraw/zinc/65/30/38/780653038.db2.gz IBQSXOWTXRLNJD-CQSZACIVSA-N 1 3 362.434 1.172 20 5 FDBDHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000420372160 813632840 /nfs/dbraw/zinc/63/28/40/813632840.db2.gz LGLTVMQERXQWPP-IRXDYDNUSA-N 1 3 359.430 1.359 20 5 FDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869237200 984964969 /nfs/dbraw/zinc/96/49/69/984964969.db2.gz QLRRQKKXIVZFAI-ZDUSSCGKSA-N 1 3 354.426 1.665 20 5 FDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869237200 984964970 /nfs/dbraw/zinc/96/49/70/984964970.db2.gz QLRRQKKXIVZFAI-ZDUSSCGKSA-N 1 3 354.426 1.665 20 5 FDBDHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000364348087 989545224 /nfs/dbraw/zinc/54/52/24/989545224.db2.gz QDVKIWPZJVQKBA-DJIMGWMZSA-N 1 3 364.446 1.236 20 5 FDBDHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000364348087 989545233 /nfs/dbraw/zinc/54/52/33/989545233.db2.gz QDVKIWPZJVQKBA-DJIMGWMZSA-N 1 3 364.446 1.236 20 5 FDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(O)(C[NH+](C)C)CC1 ZINC000931484019 1004200243 /nfs/dbraw/zinc/20/02/43/1004200243.db2.gz JQXVPALUZAKQQX-UHFFFAOYSA-N 1 3 364.446 1.620 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000564281593 546868144 /nfs/dbraw/zinc/86/81/44/546868144.db2.gz WYBRTQFJFRANBH-LJQANCHMSA-N 1 3 373.457 1.928 20 5 FDBDHO COc1ccc(OCCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000579838666 550915785 /nfs/dbraw/zinc/91/57/85/550915785.db2.gz NRWJYPAWKFSVLL-QAPCUYQASA-N 1 3 365.430 1.810 20 5 FDBDHO CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[C@H]1[NH3+] ZINC000592489525 552001004 /nfs/dbraw/zinc/00/10/04/552001004.db2.gz YFMQREOIAJCEQX-TZMCWYRMSA-N 1 3 350.419 1.991 20 5 FDBDHO Cc1c(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cccc1[N+](=O)[O-] ZINC000596580563 552691478 /nfs/dbraw/zinc/69/14/78/552691478.db2.gz YZPPALWGQDQQDG-AWEZNQCLSA-N 1 3 365.478 1.974 20 5 FDBDHO Cc1c(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cccc1[N+](=O)[O-] ZINC000596580563 552691479 /nfs/dbraw/zinc/69/14/79/552691479.db2.gz YZPPALWGQDQQDG-AWEZNQCLSA-N 1 3 365.478 1.974 20 5 FDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597097596 552746479 /nfs/dbraw/zinc/74/64/79/552746479.db2.gz OSXCFXAWQDKTQA-UHFFFAOYSA-N 1 3 372.857 1.788 20 5 FDBDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967557 553496934 /nfs/dbraw/zinc/49/69/34/553496934.db2.gz KLONVVKHVHFBMF-HHXXYDBFSA-N 1 3 373.457 1.510 20 5 FDBDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967557 553496935 /nfs/dbraw/zinc/49/69/35/553496935.db2.gz KLONVVKHVHFBMF-HHXXYDBFSA-N 1 3 373.457 1.510 20 5 FDBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967557 553496936 /nfs/dbraw/zinc/49/69/36/553496936.db2.gz KLONVVKHVHFBMF-HHXXYDBFSA-N 1 3 373.457 1.510 20 5 FDBDHO Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(N[C@@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000895741089 822724782 /nfs/dbraw/zinc/72/47/82/822724782.db2.gz YXDSIAXNTRJBFA-REWJHTLYSA-N 1 3 363.466 1.702 20 5 FDBDHO Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(N[C@@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000895741089 822724784 /nfs/dbraw/zinc/72/47/84/822724784.db2.gz YXDSIAXNTRJBFA-REWJHTLYSA-N 1 3 363.466 1.702 20 5 FDBDHO COC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169049604 928255070 /nfs/dbraw/zinc/25/50/70/928255070.db2.gz WUGNHGOFIQXCHW-UXLLHSPISA-N 1 3 353.463 1.781 20 5 FDBDHO COC(=O)[C@@H]1CCC[N@H+](C2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169049604 928255079 /nfs/dbraw/zinc/25/50/79/928255079.db2.gz WUGNHGOFIQXCHW-UXLLHSPISA-N 1 3 353.463 1.781 20 5 FDBDHO CC(C)N1CCN(CCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000367251439 260016373 /nfs/dbraw/zinc/01/63/73/260016373.db2.gz NZTPWKCHIUYZKO-UHFFFAOYSA-N 1 3 364.494 1.844 20 5 FDBDHO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000369270415 260327082 /nfs/dbraw/zinc/32/70/82/260327082.db2.gz YNQYRARDNJZSGL-QFBILLFUSA-N 1 3 362.474 1.931 20 5 FDBDHO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000369270415 260327083 /nfs/dbraw/zinc/32/70/83/260327083.db2.gz YNQYRARDNJZSGL-QFBILLFUSA-N 1 3 362.474 1.931 20 5 FDBDHO C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000090015471 524574412 /nfs/dbraw/zinc/57/44/12/524574412.db2.gz LCXVNOAEVGUCHJ-CYBMUJFWSA-N 1 3 370.475 1.193 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000114478658 524816567 /nfs/dbraw/zinc/81/65/67/524816567.db2.gz IUNQSXACZUGWFB-ZDUSSCGKSA-N 1 3 350.419 1.816 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000114478658 524816570 /nfs/dbraw/zinc/81/65/70/524816570.db2.gz IUNQSXACZUGWFB-ZDUSSCGKSA-N 1 3 350.419 1.816 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000420353968 538274943 /nfs/dbraw/zinc/27/49/43/538274943.db2.gz COMAABOHIUMQDW-OAHLLOKOSA-N 1 3 350.419 1.910 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCNCC1(C)C ZINC000420353968 538274949 /nfs/dbraw/zinc/27/49/49/538274949.db2.gz COMAABOHIUMQDW-OAHLLOKOSA-N 1 3 350.419 1.910 20 5 FDBDHO CCN1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447539272 538388194 /nfs/dbraw/zinc/38/81/94/538388194.db2.gz GKHZQXWWOHNUMP-IRXDYDNUSA-N 1 3 364.494 1.892 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000564281592 546867704 /nfs/dbraw/zinc/86/77/04/546867704.db2.gz WYBRTQFJFRANBH-IBGZPJMESA-N 1 3 373.457 1.928 20 5 FDBDHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000571434220 549644245 /nfs/dbraw/zinc/64/42/45/549644245.db2.gz YMHOCTHOTKLGFH-HZPDHXFCSA-N 1 3 367.446 1.425 20 5 FDBDHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000571434220 549644249 /nfs/dbraw/zinc/64/42/49/549644249.db2.gz YMHOCTHOTKLGFH-HZPDHXFCSA-N 1 3 367.446 1.425 20 5 FDBDHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574442916 550314881 /nfs/dbraw/zinc/31/48/81/550314881.db2.gz CUFFDFMIKXVZFD-GOSISDBHSA-N 1 3 361.446 1.782 20 5 FDBDHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574442916 550314883 /nfs/dbraw/zinc/31/48/83/550314883.db2.gz CUFFDFMIKXVZFD-GOSISDBHSA-N 1 3 361.446 1.782 20 5 FDBDHO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1N[C@H]1CCN(C2CC2)C1 ZINC000596091373 552654183 /nfs/dbraw/zinc/65/41/83/552654183.db2.gz JEKPLCMDOODKPZ-KBPBESRZSA-N 1 3 372.473 2.287 20 5 FDBDHO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)nc1N[C@H]1CCN(C2CC2)C1 ZINC000596091373 552654185 /nfs/dbraw/zinc/65/41/85/552654185.db2.gz JEKPLCMDOODKPZ-KBPBESRZSA-N 1 3 372.473 2.287 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000597943373 552848960 /nfs/dbraw/zinc/84/89/60/552848960.db2.gz ZUWFGIWYXUAPSB-ZDUSSCGKSA-N 1 3 352.435 1.605 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000597943373 552848961 /nfs/dbraw/zinc/84/89/61/552848961.db2.gz ZUWFGIWYXUAPSB-ZDUSSCGKSA-N 1 3 352.435 1.605 20 5 FDBDHO C[C@@H]1C[N@@H+](CC2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000176226111 174059605 /nfs/dbraw/zinc/05/96/05/174059605.db2.gz PBHZKKLEOBYMGT-GASCZTMLSA-N 1 3 351.451 1.613 20 5 FDBDHO C[C@@H]1C[N@H+](CC2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000176226111 174059606 /nfs/dbraw/zinc/05/96/06/174059606.db2.gz PBHZKKLEOBYMGT-GASCZTMLSA-N 1 3 351.451 1.613 20 5 FDBDHO Cc1c([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cccc1[N+](=O)[O-] ZINC000168924289 525621796 /nfs/dbraw/zinc/62/17/96/525621796.db2.gz LZICRYLZUHHKST-KRWDZBQOSA-N 1 3 364.490 1.944 20 5 FDBDHO O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000592470965 551998951 /nfs/dbraw/zinc/99/89/51/551998951.db2.gz PNKVCSIFFFAYEV-MGPQQGTHSA-N 1 3 353.444 1.346 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593728984 552184575 /nfs/dbraw/zinc/18/45/75/552184575.db2.gz CCCDRKGQLOUXPB-UGSOOPFHSA-N 1 3 362.430 1.993 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000593728984 552184576 /nfs/dbraw/zinc/18/45/76/552184576.db2.gz CCCDRKGQLOUXPB-UGSOOPFHSA-N 1 3 362.430 1.993 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000593728984 552184577 /nfs/dbraw/zinc/18/45/77/552184577.db2.gz CCCDRKGQLOUXPB-UGSOOPFHSA-N 1 3 362.430 1.993 20 5 FDBDHO CC1CC[NH+](C[C@H](O)CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618567995 555651617 /nfs/dbraw/zinc/65/16/17/555651617.db2.gz GTZCOKHDOUHKLW-BRWVUGGUSA-N 1 3 365.478 1.957 20 5 FDBDHO C[C@@H]1C[NH+](CC2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C[C@@H](C)O1 ZINC000365326229 677356314 /nfs/dbraw/zinc/35/63/14/677356314.db2.gz JTOQDDYZUAUTAN-HUUCEWRRSA-N 1 3 351.451 1.613 20 5 FDBDHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169024002 928247460 /nfs/dbraw/zinc/24/74/60/928247460.db2.gz WPKMOXHYHVYUSP-WBVHZDCISA-N 1 3 362.474 1.256 20 5 FDBDHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169024002 928247471 /nfs/dbraw/zinc/24/74/71/928247471.db2.gz WPKMOXHYHVYUSP-WBVHZDCISA-N 1 3 362.474 1.256 20 5 FDBDHO O=C1CN(CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCCN1 ZINC001183643696 963182873 /nfs/dbraw/zinc/18/28/73/963182873.db2.gz VQBBZGQTGAQHNG-UHFFFAOYSA-N 1 3 360.458 1.671 20 5 FDBDHO COC(=O)CNC(=O)c1ccc(NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000291958457 183846634 /nfs/dbraw/zinc/84/66/34/183846634.db2.gz VBHNIBSHUCSXIE-NSHDSACASA-N 1 3 352.391 1.107 20 5 FDBDHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599660324 553115575 /nfs/dbraw/zinc/11/55/75/553115575.db2.gz NIBMCGCEJQQQFU-SFHVURJKSA-N 1 3 361.446 1.736 20 5 FDBDHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599660324 553115578 /nfs/dbraw/zinc/11/55/78/553115578.db2.gz NIBMCGCEJQQQFU-SFHVURJKSA-N 1 3 361.446 1.736 20 5 FDBDHO CN1CC[NH+](C[C@@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000378438390 262025415 /nfs/dbraw/zinc/02/54/15/262025415.db2.gz VZNJCOLRLZJGDX-QGZVFWFLSA-N 1 3 362.474 1.933 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000591723325 551903258 /nfs/dbraw/zinc/90/32/58/551903258.db2.gz RYGYLDGKPKNQRE-IBGZPJMESA-N 1 3 373.457 1.928 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430540754 681080372 /nfs/dbraw/zinc/08/03/72/681080372.db2.gz AMZOSJXPQNJOEA-OLZOCXBDSA-N 1 3 350.419 1.991 20 5 FDBDHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467861739 684880913 /nfs/dbraw/zinc/88/09/13/684880913.db2.gz FUUCUHBTQHWCRK-INIZCTEOSA-N 1 3 350.463 1.636 20 5 FDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000104533413 525417481 /nfs/dbraw/zinc/41/74/81/525417481.db2.gz XDGWJWNKQMBRHW-UHFFFAOYSA-N 1 3 374.445 1.346 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000133638302 526078534 /nfs/dbraw/zinc/07/85/34/526078534.db2.gz BNDJGSPXNCWWCM-UHFFFAOYSA-N 1 3 353.423 1.561 20 5 FDBDHO C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248594260 537195829 /nfs/dbraw/zinc/19/58/29/537195829.db2.gz SEUIRGWEZROVSO-JJRVBVJISA-N 1 3 351.451 1.395 20 5 FDBDHO C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248594260 537195831 /nfs/dbraw/zinc/19/58/31/537195831.db2.gz SEUIRGWEZROVSO-JJRVBVJISA-N 1 3 351.451 1.395 20 5 FDBDHO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248594260 537195832 /nfs/dbraw/zinc/19/58/32/537195832.db2.gz SEUIRGWEZROVSO-JJRVBVJISA-N 1 3 351.451 1.395 20 5 FDBDHO CC1CCN(C[C@H](O)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000571208995 549566146 /nfs/dbraw/zinc/56/61/46/549566146.db2.gz KYNCZZIFAVZQJI-IAGOWNOFSA-N 1 3 367.446 1.017 20 5 FDBDHO Cc1c(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000578937578 550816980 /nfs/dbraw/zinc/81/69/80/550816980.db2.gz WQLVBNRPNXXIKU-UHFFFAOYSA-N 1 3 351.451 1.538 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000591748362 551905730 /nfs/dbraw/zinc/90/57/30/551905730.db2.gz XDMSSAUNBOAIKI-QGZVFWFLSA-N 1 3 351.451 1.539 20 5 FDBDHO COc1ccc(NC(=O)CCN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000593737683 552187809 /nfs/dbraw/zinc/18/78/09/552187809.db2.gz ULXZUNXZBMGHMC-UGSOOPFHSA-N 1 3 362.430 1.993 20 5 FDBDHO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c([N+](=O)[O-])c1 ZINC000593737683 552187810 /nfs/dbraw/zinc/18/78/10/552187810.db2.gz ULXZUNXZBMGHMC-UGSOOPFHSA-N 1 3 362.430 1.993 20 5 FDBDHO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c([N+](=O)[O-])c1 ZINC000593737683 552187812 /nfs/dbraw/zinc/18/78/12/552187812.db2.gz ULXZUNXZBMGHMC-UGSOOPFHSA-N 1 3 362.430 1.993 20 5 FDBDHO CNc1c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cccc1[N+](=O)[O-] ZINC000597941827 552848389 /nfs/dbraw/zinc/84/83/89/552848389.db2.gz DDTZFUOKVZQCKN-ZDUSSCGKSA-N 1 3 351.451 1.638 20 5 FDBDHO CNc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cccc1[N+](=O)[O-] ZINC000597941827 552848390 /nfs/dbraw/zinc/84/83/90/552848390.db2.gz DDTZFUOKVZQCKN-ZDUSSCGKSA-N 1 3 351.451 1.638 20 5 FDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597941413 552848407 /nfs/dbraw/zinc/84/84/07/552848407.db2.gz AKOMBYYVGVZPGR-LBPRGKRZSA-N 1 3 366.418 1.325 20 5 FDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597941413 552848409 /nfs/dbraw/zinc/84/84/09/552848409.db2.gz AKOMBYYVGVZPGR-LBPRGKRZSA-N 1 3 366.418 1.325 20 5 FDBDHO COc1c(O)ccc(CNCCN2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000893359685 795906452 /nfs/dbraw/zinc/90/64/52/795906452.db2.gz CJVOUYOJPJEZLV-UHFFFAOYSA-N 1 3 352.435 1.425 20 5 FDBDHO CN1CC[C@H]2CN(c3nc(N4C[C@H]5CC[N@H+](C)[C@H]5C4)ccc3[N+](=O)[O-])C[C@H]21 ZINC000450781797 830123350 /nfs/dbraw/zinc/12/33/50/830123350.db2.gz UVAZMCZTXVCMDH-YQFWSFKMSA-N 1 3 372.473 1.270 20 5 FDBDHO CN1CC[C@H]2CN(c3nc(N4C[C@H]5CC[N@@H+](C)[C@H]5C4)ccc3[N+](=O)[O-])C[C@H]21 ZINC000450781797 830123358 /nfs/dbraw/zinc/12/33/58/830123358.db2.gz UVAZMCZTXVCMDH-YQFWSFKMSA-N 1 3 372.473 1.270 20 5 FDBDHO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000819173703 943460583 /nfs/dbraw/zinc/46/05/83/943460583.db2.gz LYXVQCQGMJJOFR-CEXWTWQISA-N 1 3 363.458 1.986 20 5 FDBDHO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000819173705 943461013 /nfs/dbraw/zinc/46/10/13/943461013.db2.gz LYXVQCQGMJJOFR-GUDVDZBRSA-N 1 3 363.458 1.986 20 5 FDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823920743 946101888 /nfs/dbraw/zinc/10/18/88/946101888.db2.gz BAUIYXAMHRKJHN-LBPRGKRZSA-N 1 3 352.439 1.571 20 5 FDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823920743 946101894 /nfs/dbraw/zinc/10/18/94/946101894.db2.gz BAUIYXAMHRKJHN-LBPRGKRZSA-N 1 3 352.439 1.571 20 5 FDBDHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000539293394 540943572 /nfs/dbraw/zinc/94/35/72/540943572.db2.gz SGJUWTWFSMVXSR-AWEZNQCLSA-N 1 3 351.451 1.791 20 5 FDBDHO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174715507 524703961 /nfs/dbraw/zinc/70/39/61/524703961.db2.gz BXEBMHAQTHQMTO-HNNXBMFYSA-N 1 3 363.462 1.491 20 5 FDBDHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000564989468 547148280 /nfs/dbraw/zinc/14/82/80/547148280.db2.gz MJUGALRQZBFRGO-CQSZACIVSA-N 1 3 362.430 1.611 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000567678913 548208759 /nfs/dbraw/zinc/20/87/59/548208759.db2.gz DWKRAYWLPWOICD-MJGOQNOKSA-N 1 3 373.457 1.306 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000567678913 548208763 /nfs/dbraw/zinc/20/87/63/548208763.db2.gz DWKRAYWLPWOICD-MJGOQNOKSA-N 1 3 373.457 1.306 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000567678913 548208766 /nfs/dbraw/zinc/20/87/66/548208766.db2.gz DWKRAYWLPWOICD-MJGOQNOKSA-N 1 3 373.457 1.306 20 5 FDBDHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169024000 928248515 /nfs/dbraw/zinc/24/85/15/928248515.db2.gz WPKMOXHYHVYUSP-NVXWUHKLSA-N 1 3 362.474 1.256 20 5 FDBDHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169024000 928248527 /nfs/dbraw/zinc/24/85/27/928248527.db2.gz WPKMOXHYHVYUSP-NVXWUHKLSA-N 1 3 362.474 1.256 20 5 FDBDHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000420321561 538264351 /nfs/dbraw/zinc/26/43/51/538264351.db2.gz CUORHGCFQFLLOK-CQSZACIVSA-N 1 3 362.430 1.611 20 5 FDBDHO NC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000420321561 538264356 /nfs/dbraw/zinc/26/43/56/538264356.db2.gz CUORHGCFQFLLOK-CQSZACIVSA-N 1 3 362.430 1.611 20 5 FDBDHO NC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000420321561 538264364 /nfs/dbraw/zinc/26/43/64/538264364.db2.gz CUORHGCFQFLLOK-CQSZACIVSA-N 1 3 362.430 1.611 20 5 FDBDHO CCN1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447539271 538388288 /nfs/dbraw/zinc/38/82/88/538388288.db2.gz GKHZQXWWOHNUMP-IAGOWNOFSA-N 1 3 364.494 1.892 20 5 FDBDHO COc1ccc(NC(=O)CCN[C@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000420364498 680436876 /nfs/dbraw/zinc/43/68/76/680436876.db2.gz PBEWPSOMVDFCFV-HNNXBMFYSA-N 1 3 350.419 1.910 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430540755 681080318 /nfs/dbraw/zinc/08/03/18/681080318.db2.gz AMZOSJXPQNJOEA-QWHCGFSZSA-N 1 3 350.419 1.991 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H]1CC[NH2+]CC1(C)C ZINC000420353967 538275782 /nfs/dbraw/zinc/27/57/82/538275782.db2.gz COMAABOHIUMQDW-HNNXBMFYSA-N 1 3 350.419 1.910 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCNCC1(C)C ZINC000420353967 538275791 /nfs/dbraw/zinc/27/57/91/538275791.db2.gz COMAABOHIUMQDW-HNNXBMFYSA-N 1 3 350.419 1.910 20 5 FDBDHO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602844335 553649445 /nfs/dbraw/zinc/64/94/45/553649445.db2.gz AVNQRKIEWGZGGV-GOSISDBHSA-N 1 3 372.425 1.942 20 5 FDBDHO Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(N[C@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895741091 822724620 /nfs/dbraw/zinc/72/46/20/822724620.db2.gz YXDSIAXNTRJBFA-YIYPIFLZSA-N 1 3 363.466 1.702 20 5 FDBDHO Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(N[C@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895741091 822724622 /nfs/dbraw/zinc/72/46/22/822724622.db2.gz YXDSIAXNTRJBFA-YIYPIFLZSA-N 1 3 363.466 1.702 20 5 FDBDHO CN(C)CCN1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172920968 961829024 /nfs/dbraw/zinc/82/90/24/961829024.db2.gz MVFMUUBTVCGNQF-GOSISDBHSA-N 1 3 374.485 1.938 20 5 FDBDHO CN(C)CCN1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172920968 961829035 /nfs/dbraw/zinc/82/90/35/961829035.db2.gz MVFMUUBTVCGNQF-GOSISDBHSA-N 1 3 374.485 1.938 20 5 FDBDHO C[NH+](C)C1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552283536 543446062 /nfs/dbraw/zinc/44/60/62/543446062.db2.gz FONROAATDKIIPU-UHFFFAOYSA-N 1 3 355.460 1.831 20 5 FDBDHO C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248594258 537195509 /nfs/dbraw/zinc/19/55/09/537195509.db2.gz SEUIRGWEZROVSO-GRDNDAEWSA-N 1 3 351.451 1.395 20 5 FDBDHO C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248594258 537195512 /nfs/dbraw/zinc/19/55/12/537195512.db2.gz SEUIRGWEZROVSO-GRDNDAEWSA-N 1 3 351.451 1.395 20 5 FDBDHO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(C2CCC2)C1 ZINC000248594258 537195515 /nfs/dbraw/zinc/19/55/15/537195515.db2.gz SEUIRGWEZROVSO-GRDNDAEWSA-N 1 3 351.451 1.395 20 5 FDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423389863 538389816 /nfs/dbraw/zinc/38/98/16/538389816.db2.gz LYRACQBJPUNPCN-DOMZBBRYSA-N 1 3 360.380 1.952 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000572082801 549837730 /nfs/dbraw/zinc/83/77/30/549837730.db2.gz FUTONTPRPRIDQU-SFHVURJKSA-N 1 3 359.430 1.538 20 5 FDBDHO CN(CCN1CC[NH2+]CC1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592428388 551993974 /nfs/dbraw/zinc/99/39/74/551993974.db2.gz FSQWDKDIEDPJSF-UHFFFAOYSA-N 1 3 358.446 1.332 20 5 FDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597942897 552848787 /nfs/dbraw/zinc/84/87/87/552848787.db2.gz PQBMBWRZMJLTGK-LBPRGKRZSA-N 1 3 366.418 1.325 20 5 FDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597942897 552848788 /nfs/dbraw/zinc/84/87/88/552848788.db2.gz PQBMBWRZMJLTGK-LBPRGKRZSA-N 1 3 366.418 1.325 20 5 FDBDHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000483133352 686469936 /nfs/dbraw/zinc/46/99/36/686469936.db2.gz YVRPRQXAKONULM-INIZCTEOSA-N 1 3 350.463 1.636 20 5 FDBDHO CN1CC[C@@]2(CC[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000428998686 879444438 /nfs/dbraw/zinc/44/44/38/879444438.db2.gz KQEYTWHAIWFWEO-GOSISDBHSA-N 1 3 360.414 1.920 20 5 FDBDHO CN1CC[C@@]2(CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000428998686 879444459 /nfs/dbraw/zinc/44/44/59/879444459.db2.gz KQEYTWHAIWFWEO-GOSISDBHSA-N 1 3 360.414 1.920 20 5 FDBDHO CN(C)CCN1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472610800 538669287 /nfs/dbraw/zinc/66/92/87/538669287.db2.gz TVTLSKUVXPVWHQ-IAGOWNOFSA-N 1 3 364.494 1.891 20 5 FDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000562512950 546163093 /nfs/dbraw/zinc/16/30/93/546163093.db2.gz DMQPXFKBNLHROB-UHFFFAOYSA-N 1 3 374.445 1.346 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000580422388 550980534 /nfs/dbraw/zinc/98/05/34/550980534.db2.gz CDKLIARFTKMCJG-SFHVURJKSA-N 1 3 359.430 1.538 20 5 FDBDHO COCC1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]CC1 ZINC000591279594 551855629 /nfs/dbraw/zinc/85/56/29/551855629.db2.gz BBOIMTZAUDDYOT-UHFFFAOYSA-N 1 3 351.403 1.472 20 5 FDBDHO Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(N[C@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000895741090 822724746 /nfs/dbraw/zinc/72/47/46/822724746.db2.gz YXDSIAXNTRJBFA-RFQIPJPRSA-N 1 3 363.466 1.702 20 5 FDBDHO Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(N[C@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000895741090 822724748 /nfs/dbraw/zinc/72/47/48/822724748.db2.gz YXDSIAXNTRJBFA-RFQIPJPRSA-N 1 3 363.466 1.702 20 5 FDBDHO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000369270413 260327187 /nfs/dbraw/zinc/32/71/87/260327187.db2.gz YNQYRARDNJZSGL-APWZRJJASA-N 1 3 362.474 1.931 20 5 FDBDHO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000369270413 260327188 /nfs/dbraw/zinc/32/71/88/260327188.db2.gz YNQYRARDNJZSGL-APWZRJJASA-N 1 3 362.474 1.931 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000114478660 524816796 /nfs/dbraw/zinc/81/67/96/524816796.db2.gz IUNQSXACZUGWFB-CYBMUJFWSA-N 1 3 350.419 1.816 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000114478660 524816804 /nfs/dbraw/zinc/81/68/04/524816804.db2.gz IUNQSXACZUGWFB-CYBMUJFWSA-N 1 3 350.419 1.816 20 5 FDBDHO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000162103208 525213408 /nfs/dbraw/zinc/21/34/08/525213408.db2.gz BFNUXFZCUIRKCM-CZUORRHYSA-N 1 3 370.475 1.193 20 5 FDBDHO Cc1c(CNC2CC[NH+](CCN3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000237801537 537640819 /nfs/dbraw/zinc/64/08/19/537640819.db2.gz CIAZBNQPLMCWAV-UHFFFAOYSA-N 1 3 362.474 1.789 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000574324457 550296287 /nfs/dbraw/zinc/29/62/87/550296287.db2.gz ZRGLJHGIAYXSJL-NWANDNLSSA-N 1 3 362.430 1.991 20 5 FDBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000574890351 550387387 /nfs/dbraw/zinc/38/73/87/550387387.db2.gz XFMUHMFRJMIZDZ-SFHVURJKSA-N 1 3 362.474 1.562 20 5 FDBDHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598961837 552951736 /nfs/dbraw/zinc/95/17/36/552951736.db2.gz CKHHNEJPIFOXKN-ZDUSSCGKSA-N 1 3 370.475 1.336 20 5 FDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000535431493 540475453 /nfs/dbraw/zinc/47/54/53/540475453.db2.gz JSKDDDUVDVTJHS-UHFFFAOYSA-N 1 3 351.451 1.272 20 5 FDBDHO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247559916 537134282 /nfs/dbraw/zinc/13/42/82/537134282.db2.gz QRZFSXYJYWSLBU-IEBWSBKVSA-N 1 3 373.457 1.606 20 5 FDBDHO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247559916 537134284 /nfs/dbraw/zinc/13/42/84/537134284.db2.gz QRZFSXYJYWSLBU-IEBWSBKVSA-N 1 3 373.457 1.606 20 5 FDBDHO CN1CCN(CCCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000566080531 547591105 /nfs/dbraw/zinc/59/11/05/547591105.db2.gz QAUWDNJORVEDJM-IAGOWNOFSA-N 1 3 364.494 1.892 20 5 FDBDHO COc1ccc(NC(=O)CCN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000567891252 548311356 /nfs/dbraw/zinc/31/13/56/548311356.db2.gz STAVCAKMNUUAPG-QEJZJMRPSA-N 1 3 362.430 1.991 20 5 FDBDHO COc1ccc([N+](=O)[O-])c(CC(=O)N(CCN(C)C)CC[NH+](C)C)c1F ZINC000583739178 551394464 /nfs/dbraw/zinc/39/44/64/551394464.db2.gz CDBICVVPPKBKTK-UHFFFAOYSA-N 1 3 370.425 1.237 20 5 FDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000602797415 553640524 /nfs/dbraw/zinc/64/05/24/553640524.db2.gz IRIXLBXVOMZFCQ-ZBFHGGJFSA-N 1 3 350.467 1.058 20 5 FDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000602797415 553640525 /nfs/dbraw/zinc/64/05/25/553640525.db2.gz IRIXLBXVOMZFCQ-ZBFHGGJFSA-N 1 3 350.467 1.058 20 5 FDBDHO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847982 553650169 /nfs/dbraw/zinc/65/01/69/553650169.db2.gz WXJVZZHCOGHCIM-QGZVFWFLSA-N 1 3 372.425 1.942 20 5 FDBDHO C[NH+](C)CCNC(=O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278556 975294162 /nfs/dbraw/zinc/29/41/62/975294162.db2.gz REDMLNDRDSBIPD-QGZVFWFLSA-N 1 3 364.446 1.018 20 5 FDBDHO C[N@H+](C[C@H]1CC12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2)C1CC1 ZINC000378354394 262010003 /nfs/dbraw/zinc/01/00/03/262010003.db2.gz GRDPBZGMGHUJLG-OAHLLOKOSA-N 1 3 360.458 1.953 20 5 FDBDHO C[N@@H+](C[C@H]1CC12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2)C1CC1 ZINC000378354394 262010005 /nfs/dbraw/zinc/01/00/05/262010005.db2.gz GRDPBZGMGHUJLG-OAHLLOKOSA-N 1 3 360.458 1.953 20 5 FDBDHO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247094812 537080897 /nfs/dbraw/zinc/08/08/97/537080897.db2.gz RVOFKDNSFXZBFW-XJKSGUPXSA-N 1 3 370.475 1.193 20 5 FDBDHO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2CCN(C3CC3)CC2)cc1 ZINC000566969106 547947829 /nfs/dbraw/zinc/94/78/29/547947829.db2.gz UHOUYHFSFRKALJ-UHFFFAOYSA-N 1 3 367.471 1.833 20 5 FDBDHO NC(=O)c1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c([N+](=O)[O-])c1 ZINC000593736084 552187315 /nfs/dbraw/zinc/18/73/15/552187315.db2.gz FPLJZYJCHICZCI-UXLLHSPISA-N 1 3 362.430 1.412 20 5 FDBDHO CN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598965077 552952189 /nfs/dbraw/zinc/95/21/89/552952189.db2.gz UUYNOKNKVPVPCN-CYBMUJFWSA-N 1 3 370.475 1.336 20 5 FDBDHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000050802438 522944289 /nfs/dbraw/zinc/94/42/89/522944289.db2.gz MIJDQKUPDUDSPH-UHFFFAOYSA-N 1 3 360.458 1.812 20 5 FDBDHO C[C@@H]1C[N@H+](CCCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000569111918 548801569 /nfs/dbraw/zinc/80/15/69/548801569.db2.gz DUGMGFXMYFVWLL-WBVHZDCISA-N 1 3 367.446 1.425 20 5 FDBDHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000569111918 548801575 /nfs/dbraw/zinc/80/15/75/548801575.db2.gz DUGMGFXMYFVWLL-WBVHZDCISA-N 1 3 367.446 1.425 20 5 FDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000610144828 554467358 /nfs/dbraw/zinc/46/73/58/554467358.db2.gz IXAYZOPYSMZHQG-UHFFFAOYSA-N 1 3 351.451 1.272 20 5 FDBDHO COc1ccc(NC(=O)CCN2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420419232 680443490 /nfs/dbraw/zinc/44/34/90/680443490.db2.gz XKEIEBTZBZOLAC-CHWSQXEVSA-N 1 3 350.419 1.849 20 5 FDBDHO CN(C)/C=C\c1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164932259 721877572 /nfs/dbraw/zinc/87/75/72/721877572.db2.gz HPJWFTULUCTDKD-LVXHKSIOSA-N 1 3 374.489 1.737 20 5 FDBDHO CN(C)/C=C\c1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164932259 721877573 /nfs/dbraw/zinc/87/75/73/721877573.db2.gz HPJWFTULUCTDKD-LVXHKSIOSA-N 1 3 374.489 1.737 20 5 FDBDHO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000863550001 973004900 /nfs/dbraw/zinc/00/49/00/973004900.db2.gz LYIWOIWGMAWSOV-SJORKVTESA-N 1 3 360.414 1.394 20 5 FDBDHO C[NH+](C)CCNC(=O)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178580406 174195284 /nfs/dbraw/zinc/19/52/84/174195284.db2.gz YAOYNAWBNJAENE-QGZVFWFLSA-N 1 3 364.446 1.018 20 5 FDBDHO C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000090015469 524574542 /nfs/dbraw/zinc/57/45/42/524574542.db2.gz LCXVNOAEVGUCHJ-ZDUSSCGKSA-N 1 3 370.475 1.193 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000280248673 537392968 /nfs/dbraw/zinc/39/29/68/537392968.db2.gz BVRKVDKGGLQSOE-ZIFCJYIRSA-N 1 3 371.441 1.216 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000280248673 537392974 /nfs/dbraw/zinc/39/29/74/537392974.db2.gz BVRKVDKGGLQSOE-ZIFCJYIRSA-N 1 3 371.441 1.216 20 5 FDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420353171 538274194 /nfs/dbraw/zinc/27/41/94/538274194.db2.gz ZZWIDVBMNIKMQQ-INIZCTEOSA-N 1 3 361.446 1.211 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430540150 538391859 /nfs/dbraw/zinc/39/18/59/538391859.db2.gz GLBBGLCIDOSTSF-CHWSQXEVSA-N 1 3 350.419 1.991 20 5 FDBDHO CN1CCCN(CCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472614593 538671662 /nfs/dbraw/zinc/67/16/62/538671662.db2.gz VYNPDWLGZRACOE-IRXDYDNUSA-N 1 3 364.494 1.892 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000574324456 550296304 /nfs/dbraw/zinc/29/63/04/550296304.db2.gz ZRGLJHGIAYXSJL-CFVMTHIKSA-N 1 3 362.430 1.991 20 5 FDBDHO [NH3+]C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCN(Cc2ccccc2)CC1 ZINC000576941576 550602328 /nfs/dbraw/zinc/60/23/28/550602328.db2.gz CLXLWAAILUVYGO-UHFFFAOYSA-N 1 3 358.402 1.041 20 5 FDBDHO CN(C)CCN1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000577841969 550700595 /nfs/dbraw/zinc/70/05/95/550700595.db2.gz DGFPAERSEPRTPL-UHFFFAOYSA-N 1 3 363.462 1.539 20 5 FDBDHO C[NH2+]CCCC(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000596107159 552655760 /nfs/dbraw/zinc/65/57/60/552655760.db2.gz SCSYPGMKSZJBFU-UHFFFAOYSA-N 1 3 352.410 1.814 20 5 FDBDHO COc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000596830942 552715473 /nfs/dbraw/zinc/71/54/73/552715473.db2.gz GFSALXFXQSAGIZ-ZDUSSCGKSA-N 1 3 367.450 1.997 20 5 FDBDHO COc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000596830942 552715474 /nfs/dbraw/zinc/71/54/74/552715474.db2.gz GFSALXFXQSAGIZ-ZDUSSCGKSA-N 1 3 367.450 1.997 20 5 FDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000602797411 553640763 /nfs/dbraw/zinc/64/07/63/553640763.db2.gz IRIXLBXVOMZFCQ-GOEBONIOSA-N 1 3 350.467 1.058 20 5 FDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000602797411 553640766 /nfs/dbraw/zinc/64/07/66/553640766.db2.gz IRIXLBXVOMZFCQ-GOEBONIOSA-N 1 3 350.467 1.058 20 5 FDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855346955 970306866 /nfs/dbraw/zinc/30/68/66/970306866.db2.gz PSNVQTSXMCADOF-NSHDSACASA-N 1 3 355.414 1.318 20 5 FDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855346955 970306874 /nfs/dbraw/zinc/30/68/74/970306874.db2.gz PSNVQTSXMCADOF-NSHDSACASA-N 1 3 355.414 1.318 20 5 FDBDHO C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]2C1 ZINC000931436223 1004160230 /nfs/dbraw/zinc/16/02/30/1004160230.db2.gz KXQUZQPZQRDPNB-OLZOCXBDSA-N 1 3 350.394 1.946 20 5 FDBDHO C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]2C1 ZINC000931436223 1004160234 /nfs/dbraw/zinc/16/02/34/1004160234.db2.gz KXQUZQPZQRDPNB-OLZOCXBDSA-N 1 3 350.394 1.946 20 5 FDBDHO COc1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000524937533 539672099 /nfs/dbraw/zinc/67/20/99/539672099.db2.gz XQJKDXQXHRJHRG-UHFFFAOYSA-N 1 3 367.450 1.238 20 5 FDBDHO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110202 172101588 /nfs/dbraw/zinc/10/15/88/172101588.db2.gz QRZFSXYJYWSLBU-MJGOQNOKSA-N 1 3 373.457 1.606 20 5 FDBDHO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110202 172101592 /nfs/dbraw/zinc/10/15/92/172101592.db2.gz QRZFSXYJYWSLBU-MJGOQNOKSA-N 1 3 373.457 1.606 20 5 FDBDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000122320555 524508040 /nfs/dbraw/zinc/50/80/40/524508040.db2.gz VWXHEDXPJQWIQV-UHFFFAOYSA-N 1 3 362.434 1.670 20 5 FDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104533391 525416987 /nfs/dbraw/zinc/41/69/87/525416987.db2.gz UCLQIMHGCVVERG-UHFFFAOYSA-N 1 3 374.445 1.346 20 5 FDBDHO [NH3+][C@@H]1CCC[C@@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@H]21 ZINC000577062404 550616559 /nfs/dbraw/zinc/61/65/59/550616559.db2.gz AQRNRLVYNQQFGY-BPLDGKMQSA-N 1 3 360.414 1.952 20 5 FDBDHO CC1CCN(C[C@H](O)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000582003371 551162031 /nfs/dbraw/zinc/16/20/31/551162031.db2.gz HFSCTIZEKFRGMV-OAHLLOKOSA-N 1 3 364.446 1.606 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420417886 680442774 /nfs/dbraw/zinc/44/27/74/680442774.db2.gz WOAJQAHFTPUADL-STQMWFEESA-N 1 3 350.419 1.849 20 5 FDBDHO COc1ccc(-c2ccc(CNCCN3CC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000414860349 790935389 /nfs/dbraw/zinc/93/53/89/790935389.db2.gz CNVVYONSHOKDJD-UHFFFAOYSA-N 1 3 360.414 1.858 20 5 FDBDHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001170680624 941232205 /nfs/dbraw/zinc/23/22/05/941232205.db2.gz BXGBHNWFLBCWKA-NSHDSACASA-N 1 3 365.397 1.944 20 5 FDBDHO CCCN1CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178004416 174168145 /nfs/dbraw/zinc/16/81/45/174168145.db2.gz NTXMNCCWUPFAPA-UHFFFAOYSA-N 1 3 370.475 1.337 20 5 FDBDHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075642741 522950867 /nfs/dbraw/zinc/95/08/67/522950867.db2.gz SXJDNVSWMSLZTK-QGZVFWFLSA-N 1 3 353.467 1.596 20 5 FDBDHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075642741 522950876 /nfs/dbraw/zinc/95/08/76/522950876.db2.gz SXJDNVSWMSLZTK-QGZVFWFLSA-N 1 3 353.467 1.596 20 5 FDBDHO CCN1CCN(CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447539270 538388325 /nfs/dbraw/zinc/38/83/25/538388325.db2.gz GKHZQXWWOHNUMP-DLBZAZTESA-N 1 3 364.494 1.892 20 5 FDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423389868 538389913 /nfs/dbraw/zinc/38/99/13/538389913.db2.gz LYRACQBJPUNPCN-WFASDCNBSA-N 1 3 360.380 1.952 20 5 FDBDHO CN1CCC(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000569824320 549062543 /nfs/dbraw/zinc/06/25/43/549062543.db2.gz GLWBKFCAFOFCQN-GOSISDBHSA-N 1 3 374.485 1.968 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2C[NH+]2CCCC2)c1 ZINC000581879348 551144340 /nfs/dbraw/zinc/14/43/40/551144340.db2.gz FJRXKSJTHLVRLL-GOSISDBHSA-N 1 3 359.430 1.538 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000591723326 551903263 /nfs/dbraw/zinc/90/32/63/551903263.db2.gz RYGYLDGKPKNQRE-LJQANCHMSA-N 1 3 373.457 1.928 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420410128 680441427 /nfs/dbraw/zinc/44/14/27/680441427.db2.gz RBAJVOBBUJHTJN-QWHCGFSZSA-N 1 3 350.419 1.849 20 5 FDBDHO CN(C)CCN1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172920969 961828551 /nfs/dbraw/zinc/82/85/51/961828551.db2.gz MVFMUUBTVCGNQF-SFHVURJKSA-N 1 3 374.485 1.938 20 5 FDBDHO CN(C)CCN1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172920969 961828566 /nfs/dbraw/zinc/82/85/66/961828566.db2.gz MVFMUUBTVCGNQF-SFHVURJKSA-N 1 3 374.485 1.938 20 5 FDBDHO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000776595813 967349975 /nfs/dbraw/zinc/34/99/75/967349975.db2.gz AYPLAEDWRGWKCM-LZQZEXGQSA-N 1 3 362.474 1.586 20 5 FDBDHO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000776595813 967349985 /nfs/dbraw/zinc/34/99/85/967349985.db2.gz AYPLAEDWRGWKCM-LZQZEXGQSA-N 1 3 362.474 1.586 20 5 FDBDHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000280 174167337 /nfs/dbraw/zinc/16/73/37/174167337.db2.gz WKNSDOBMKLTRES-WWGRRREGSA-N 1 3 370.475 1.191 20 5 FDBDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183634252 536019352 /nfs/dbraw/zinc/01/93/52/536019352.db2.gz SBVSUSKPFOSEOI-AWEZNQCLSA-N 1 3 364.450 1.870 20 5 FDBDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183634252 536019354 /nfs/dbraw/zinc/01/93/54/536019354.db2.gz SBVSUSKPFOSEOI-AWEZNQCLSA-N 1 3 364.450 1.870 20 5 FDBDHO C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185667741 536214831 /nfs/dbraw/zinc/21/48/31/536214831.db2.gz SEUIRGWEZROVSO-ZQIUZPCESA-N 1 3 351.451 1.395 20 5 FDBDHO C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185667741 536214832 /nfs/dbraw/zinc/21/48/32/536214832.db2.gz SEUIRGWEZROVSO-ZQIUZPCESA-N 1 3 351.451 1.395 20 5 FDBDHO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(C2CCC2)C1 ZINC000185667741 536214833 /nfs/dbraw/zinc/21/48/33/536214833.db2.gz SEUIRGWEZROVSO-ZQIUZPCESA-N 1 3 351.451 1.395 20 5 FDBDHO O=C(CCNCCC[NH+]1CCC(O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000566232714 547674269 /nfs/dbraw/zinc/67/42/69/547674269.db2.gz SNFXLBPSOYQOCR-UHFFFAOYSA-N 1 3 350.419 1.360 20 5 FDBDHO C[NH+]1CCC(CNCc2csc([N+](=O)[O-])c2)(N2CCOCC2)CC1 ZINC000414478975 679355773 /nfs/dbraw/zinc/35/57/73/679355773.db2.gz GIJQHVBGKCTIET-UHFFFAOYSA-N 1 3 354.476 1.543 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420417882 680442768 /nfs/dbraw/zinc/44/27/68/680442768.db2.gz WOAJQAHFTPUADL-OLZOCXBDSA-N 1 3 350.419 1.849 20 5 FDBDHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccccc1[N+](=O)[O-] ZINC000467864512 684881008 /nfs/dbraw/zinc/88/10/08/684881008.db2.gz OEYSNHVCQNXOFU-INIZCTEOSA-N 1 3 350.463 1.636 20 5 FDBDHO Cc1ccc(CNC2CC[NH+](CCN3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000866539138 975766736 /nfs/dbraw/zinc/76/67/36/975766736.db2.gz GYBPHAYLPRANBC-UHFFFAOYSA-N 1 3 362.474 1.789 20 5 FDBDHO C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000542716988 541453035 /nfs/dbraw/zinc/45/30/35/541453035.db2.gz ULDQQPXFUXUZEZ-ZDUSSCGKSA-N 1 3 354.426 1.789 20 5 FDBDHO C[NH+](C)CCNC(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000171656748 258267998 /nfs/dbraw/zinc/26/79/98/258267998.db2.gz ZTRUNPVTHMHSAI-UHFFFAOYSA-N 1 3 364.446 1.363 20 5 FDBDHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000056524657 521878363 /nfs/dbraw/zinc/87/83/63/521878363.db2.gz NIHJTYFNCORPPB-QGZVFWFLSA-N 1 3 351.447 1.998 20 5 FDBDHO C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185667703 536214972 /nfs/dbraw/zinc/21/49/72/536214972.db2.gz SEUIRGWEZROVSO-VBQJREDUSA-N 1 3 351.451 1.395 20 5 FDBDHO C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185667703 536214973 /nfs/dbraw/zinc/21/49/73/536214973.db2.gz SEUIRGWEZROVSO-VBQJREDUSA-N 1 3 351.451 1.395 20 5 FDBDHO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185667703 536214974 /nfs/dbraw/zinc/21/49/74/536214974.db2.gz SEUIRGWEZROVSO-VBQJREDUSA-N 1 3 351.451 1.395 20 5 FDBDHO CCN1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247094791 537080864 /nfs/dbraw/zinc/08/08/64/537080864.db2.gz RVOFKDNSFXZBFW-BBRMVZONSA-N 1 3 370.475 1.193 20 5 FDBDHO CN1CCC(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000569824321 549062091 /nfs/dbraw/zinc/06/20/91/549062091.db2.gz GLWBKFCAFOFCQN-SFHVURJKSA-N 1 3 374.485 1.968 20 5 FDBDHO NC(=O)c1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c([N+](=O)[O-])c1 ZINC000593736086 552187026 /nfs/dbraw/zinc/18/70/26/552187026.db2.gz FPLJZYJCHICZCI-ZMSDIMECSA-N 1 3 362.430 1.412 20 5 FDBDHO CCOCCC[N@@H+]1CC[C@H](NCCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602810765 553642322 /nfs/dbraw/zinc/64/23/22/553642322.db2.gz IUTXHWHTTVEXPN-HOCLYGCPSA-N 1 3 353.467 1.826 20 5 FDBDHO CCOCCC[N@H+]1CC[C@H](NCCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602810765 553642323 /nfs/dbraw/zinc/64/23/23/553642323.db2.gz IUTXHWHTTVEXPN-HOCLYGCPSA-N 1 3 353.467 1.826 20 5 FDBDHO C[NH+](C)CCOc1cc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000819196113 943470579 /nfs/dbraw/zinc/47/05/79/943470579.db2.gz OZMJRJVRBRTLEB-QGZVFWFLSA-N 1 3 360.414 1.753 20 5 FDBDHO CN(CCOc1ccccc1[N+](=O)[O-])CCN(C)C1CC[NH+](C)CC1 ZINC000126415432 173040913 /nfs/dbraw/zinc/04/09/13/173040913.db2.gz MKTQVDYVPXMSMI-UHFFFAOYSA-N 1 3 350.463 1.931 20 5 FDBDHO C[NH+](C)CCNC(=O)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178580390 174195591 /nfs/dbraw/zinc/19/55/91/174195591.db2.gz YAOYNAWBNJAENE-KRWDZBQOSA-N 1 3 364.446 1.018 20 5 FDBDHO CN(C)CCN1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472610799 538669975 /nfs/dbraw/zinc/66/99/75/538669975.db2.gz TVTLSKUVXPVWHQ-DLBZAZTESA-N 1 3 364.494 1.891 20 5 FDBDHO C[C@H]1C[N@H+](CCCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000569111917 548801633 /nfs/dbraw/zinc/80/16/33/548801633.db2.gz DUGMGFXMYFVWLL-RDJZCZTQSA-N 1 3 367.446 1.425 20 5 FDBDHO C[C@H]1C[N@@H+](CCCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000569111917 548801638 /nfs/dbraw/zinc/80/16/38/548801638.db2.gz DUGMGFXMYFVWLL-RDJZCZTQSA-N 1 3 367.446 1.425 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2C[NH+]2CCCC2)c1 ZINC000581879349 551144380 /nfs/dbraw/zinc/14/43/80/551144380.db2.gz FJRXKSJTHLVRLL-SFHVURJKSA-N 1 3 359.430 1.538 20 5 FDBDHO C[NH2+]CCCC(=O)N1CCC(NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000596100710 552655207 /nfs/dbraw/zinc/65/52/07/552655207.db2.gz AUTHYPNYSHNTLH-UHFFFAOYSA-N 1 3 364.446 1.684 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000597942977 552848582 /nfs/dbraw/zinc/84/85/82/552848582.db2.gz RNLURKPLXJFQPT-ZDUSSCGKSA-N 1 3 352.435 1.605 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000597942977 552848584 /nfs/dbraw/zinc/84/85/84/552848584.db2.gz RNLURKPLXJFQPT-ZDUSSCGKSA-N 1 3 352.435 1.605 20 5 FDBDHO C[C@H](CN)C[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698139 962587695 /nfs/dbraw/zinc/58/76/95/962587695.db2.gz VGCTXCQNHQOKSD-CYBMUJFWSA-N 1 3 370.475 1.275 20 5 FDBDHO C[C@H](CN)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698139 962587703 /nfs/dbraw/zinc/58/77/03/962587703.db2.gz VGCTXCQNHQOKSD-CYBMUJFWSA-N 1 3 370.475 1.275 20 5 FDBDHO CN(C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000853798484 968327759 /nfs/dbraw/zinc/32/77/59/968327759.db2.gz HROFVTBPPDTEDO-UHFFFAOYSA-N 1 3 365.434 1.847 20 5 FDBDHO CN(C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000853798484 968327770 /nfs/dbraw/zinc/32/77/70/968327770.db2.gz HROFVTBPPDTEDO-UHFFFAOYSA-N 1 3 365.434 1.847 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000131133082 525829356 /nfs/dbraw/zinc/82/93/56/525829356.db2.gz WJUZBQXQWUIERR-UHFFFAOYSA-N 1 3 353.423 1.561 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000574324455 550296056 /nfs/dbraw/zinc/29/60/56/550296056.db2.gz ZRGLJHGIAYXSJL-AEGPPILISA-N 1 3 362.430 1.991 20 5 FDBDHO CC1CC[NH+](C[C@H](O)CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618567996 555651910 /nfs/dbraw/zinc/65/19/10/555651910.db2.gz GTZCOKHDOUHKLW-IKGGRYGDSA-N 1 3 365.478 1.957 20 5 FDBDHO COc1ccc(NC(=O)CCN[C@@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000420364500 680436948 /nfs/dbraw/zinc/43/69/48/680436948.db2.gz PBEWPSOMVDFCFV-OAHLLOKOSA-N 1 3 350.419 1.910 20 5 FDBDHO COc1ccc(NC(=O)CCN2CCC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430567459 681082416 /nfs/dbraw/zinc/08/24/16/681082416.db2.gz DNCGPDGTNLZBHA-OLZOCXBDSA-N 1 3 350.419 1.991 20 5 FDBDHO CC(C)C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000788709610 932789907 /nfs/dbraw/zinc/78/99/07/932789907.db2.gz DVCXMGYBUOHSOR-BBRMVZONSA-N 1 3 365.478 1.920 20 5 FDBDHO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000776595811 967348449 /nfs/dbraw/zinc/34/84/49/967348449.db2.gz AYPLAEDWRGWKCM-ATZDWAIDSA-N 1 3 362.474 1.586 20 5 FDBDHO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000776595811 967348460 /nfs/dbraw/zinc/34/84/60/967348460.db2.gz AYPLAEDWRGWKCM-ATZDWAIDSA-N 1 3 362.474 1.586 20 5 FDBDHO C[NH+](C)CCNC(=O)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278554 975294186 /nfs/dbraw/zinc/29/41/86/975294186.db2.gz REDMLNDRDSBIPD-KRWDZBQOSA-N 1 3 364.446 1.018 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000567678912 548208301 /nfs/dbraw/zinc/20/83/01/548208301.db2.gz DWKRAYWLPWOICD-IEBWSBKVSA-N 1 3 373.457 1.306 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000567678912 548208305 /nfs/dbraw/zinc/20/83/05/548208305.db2.gz DWKRAYWLPWOICD-IEBWSBKVSA-N 1 3 373.457 1.306 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000567678912 548208308 /nfs/dbraw/zinc/20/83/08/548208308.db2.gz DWKRAYWLPWOICD-IEBWSBKVSA-N 1 3 373.457 1.306 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000571802023 549768963 /nfs/dbraw/zinc/76/89/63/549768963.db2.gz JTURPDHAUBTZJQ-QEJZJMRPSA-N 1 3 362.430 1.991 20 5 FDBDHO [NH3+][C@@H]1CCC[C@@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]21 ZINC000577062406 550616324 /nfs/dbraw/zinc/61/63/24/550616324.db2.gz AQRNRLVYNQQFGY-VHDGCEQUSA-N 1 3 360.414 1.952 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420410126 680441526 /nfs/dbraw/zinc/44/15/26/680441526.db2.gz RBAJVOBBUJHTJN-CHWSQXEVSA-N 1 3 350.419 1.849 20 5 FDBDHO COc1ccc(NC(=O)CCN2CCC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430567461 681082423 /nfs/dbraw/zinc/08/24/23/681082423.db2.gz DNCGPDGTNLZBHA-QWHCGFSZSA-N 1 3 350.419 1.991 20 5 FDBDHO CN(C)C(=O)CC[NH+]1CCC(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819042729 943391945 /nfs/dbraw/zinc/39/19/45/943391945.db2.gz LGNHWURYYBZGJD-KRWDZBQOSA-N 1 3 364.446 1.161 20 5 FDBDHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000299 174167157 /nfs/dbraw/zinc/16/71/57/174167157.db2.gz WKNSDOBMKLTRES-DVOMOZLQSA-N 1 3 370.475 1.191 20 5 FDBDHO CN1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000331717472 259215406 /nfs/dbraw/zinc/21/54/06/259215406.db2.gz HDTXIYZXSMIXPL-CVEARBPZSA-N 1 3 364.494 1.891 20 5 FDBDHO CN1CC[NH+](C[C@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000378438388 262025446 /nfs/dbraw/zinc/02/54/46/262025446.db2.gz VZNJCOLRLZJGDX-KRWDZBQOSA-N 1 3 362.474 1.933 20 5 FDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423389866 538389316 /nfs/dbraw/zinc/38/93/16/538389316.db2.gz LYRACQBJPUNPCN-SWLSCSKDSA-N 1 3 360.380 1.952 20 5 FDBDHO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H](N4CC[NH2+]CC4)C3)o2)c1 ZINC000583997606 551432172 /nfs/dbraw/zinc/43/21/72/551432172.db2.gz MSPHJBOKPOHVDD-KRWDZBQOSA-N 1 3 371.441 1.772 20 5 FDBDHO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1N[C@@H]1CCN(C2CC2)C1 ZINC000596091380 552654340 /nfs/dbraw/zinc/65/43/40/552654340.db2.gz JEKPLCMDOODKPZ-ZIAGYGMSSA-N 1 3 372.473 2.287 20 5 FDBDHO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)nc1N[C@@H]1CCN(C2CC2)C1 ZINC000596091380 552654341 /nfs/dbraw/zinc/65/43/41/552654341.db2.gz JEKPLCMDOODKPZ-ZIAGYGMSSA-N 1 3 372.473 2.287 20 5 FDBDHO CN1CCC(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)CC1 ZINC000602699348 553624238 /nfs/dbraw/zinc/62/42/38/553624238.db2.gz XQXOBVXMHNSJSF-UHFFFAOYSA-N 1 3 362.474 1.524 20 5 FDBDHO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110201 172101431 /nfs/dbraw/zinc/10/14/31/172101431.db2.gz QRZFSXYJYWSLBU-HKUYNNGSSA-N 1 3 373.457 1.606 20 5 FDBDHO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110201 172101434 /nfs/dbraw/zinc/10/14/34/172101434.db2.gz QRZFSXYJYWSLBU-HKUYNNGSSA-N 1 3 373.457 1.606 20 5 FDBDHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000291 174167206 /nfs/dbraw/zinc/16/72/06/174167206.db2.gz WKNSDOBMKLTRES-XJKCOSOUSA-N 1 3 370.475 1.191 20 5 FDBDHO COc1ccc(NC(=O)CCN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000567891250 548311341 /nfs/dbraw/zinc/31/13/41/548311341.db2.gz STAVCAKMNUUAPG-CFVMTHIKSA-N 1 3 362.430 1.991 20 5 FDBDHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000569111916 548801094 /nfs/dbraw/zinc/80/10/94/548801094.db2.gz DUGMGFXMYFVWLL-NVXWUHKLSA-N 1 3 367.446 1.425 20 5 FDBDHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000569111916 548801095 /nfs/dbraw/zinc/80/10/95/548801095.db2.gz DUGMGFXMYFVWLL-NVXWUHKLSA-N 1 3 367.446 1.425 20 5 FDBDHO O=C(CC[NH2+]C[C@@H](O)CN1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000579354297 550864375 /nfs/dbraw/zinc/86/43/75/550864375.db2.gz URJVDZRDKVUPBM-CQSZACIVSA-N 1 3 350.419 1.360 20 5 FDBDHO CCOCCC[N@@H+]1CC[C@H](NCCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602810766 553642362 /nfs/dbraw/zinc/64/23/62/553642362.db2.gz IUTXHWHTTVEXPN-ZBFHGGJFSA-N 1 3 353.467 1.826 20 5 FDBDHO CCOCCC[N@H+]1CC[C@H](NCCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602810766 553642364 /nfs/dbraw/zinc/64/23/64/553642364.db2.gz IUTXHWHTTVEXPN-ZBFHGGJFSA-N 1 3 353.467 1.826 20 5 FDBDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000482149167 568285509 /nfs/dbraw/zinc/28/55/09/568285509.db2.gz VEOAHDRJEGSERV-XIRDDKMYSA-N 1 3 353.467 1.642 20 5 FDBDHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000482149167 568285510 /nfs/dbraw/zinc/28/55/10/568285510.db2.gz VEOAHDRJEGSERV-XIRDDKMYSA-N 1 3 353.467 1.642 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420410129 680441571 /nfs/dbraw/zinc/44/15/71/680441571.db2.gz RBAJVOBBUJHTJN-STQMWFEESA-N 1 3 350.419 1.849 20 5 FDBDHO COc1cc(CNCCN2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414860797 790937592 /nfs/dbraw/zinc/93/75/92/790937592.db2.gz DOMMDAOBRCOKAI-UHFFFAOYSA-N 1 3 374.388 1.242 20 5 FDBDHO COC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169049602 928255690 /nfs/dbraw/zinc/25/56/90/928255690.db2.gz WUGNHGOFIQXCHW-BFYDXBDKSA-N 1 3 353.463 1.781 20 5 FDBDHO COC(=O)[C@@H]1CCC[N@H+](C2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169049602 928255702 /nfs/dbraw/zinc/25/57/02/928255702.db2.gz WUGNHGOFIQXCHW-BFYDXBDKSA-N 1 3 353.463 1.781 20 5 FDBDHO C[C@@H](CN)C[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698148 962587307 /nfs/dbraw/zinc/58/73/07/962587307.db2.gz VGCTXCQNHQOKSD-ZDUSSCGKSA-N 1 3 370.475 1.275 20 5 FDBDHO C[C@@H](CN)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698148 962587311 /nfs/dbraw/zinc/58/73/11/962587311.db2.gz VGCTXCQNHQOKSD-ZDUSSCGKSA-N 1 3 370.475 1.275 20 5 FDBDHO CN1CCCN(CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472614595 538670885 /nfs/dbraw/zinc/67/08/85/538670885.db2.gz VYNPDWLGZRACOE-SJORKVTESA-N 1 3 364.494 1.892 20 5 FDBDHO O=[N+]([O-])c1ccn(CCN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)n1 ZINC000595907052 552631615 /nfs/dbraw/zinc/63/16/15/552631615.db2.gz DXSMAXOUDPCZHK-UHFFFAOYSA-N 1 3 373.461 1.861 20 5 FDBDHO O=[N+]([O-])c1ccn(CCN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)n1 ZINC000595907052 552631617 /nfs/dbraw/zinc/63/16/17/552631617.db2.gz DXSMAXOUDPCZHK-UHFFFAOYSA-N 1 3 373.461 1.861 20 5 FDBDHO NCc1cn([C@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420380823 813634887 /nfs/dbraw/zinc/63/48/87/813634887.db2.gz OIBKEIJPUXOWCC-INIZCTEOSA-N 1 3 373.417 1.311 20 5 FDBDHO NCc1cn([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420380823 813634889 /nfs/dbraw/zinc/63/48/89/813634889.db2.gz OIBKEIJPUXOWCC-INIZCTEOSA-N 1 3 373.417 1.311 20 5 FDBDHO COc1c(O)ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000894453289 818072187 /nfs/dbraw/zinc/07/21/87/818072187.db2.gz DRZRBPKWXWNWPQ-UHFFFAOYSA-N 1 3 366.462 1.767 20 5 FDBDHO CN1CCC([NH+]2CCC(NC[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000818988449 943374978 /nfs/dbraw/zinc/37/49/78/943374978.db2.gz PZMXPMHUCRVJPR-IBGZPJMESA-N 1 3 362.474 1.776 20 5 FDBDHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162105590 525214405 /nfs/dbraw/zinc/21/44/05/525214405.db2.gz UFMFROONQQAZJD-DVOMOZLQSA-N 1 3 370.475 1.191 20 5 FDBDHO [NH3+]C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000420321560 538264565 /nfs/dbraw/zinc/26/45/65/538264565.db2.gz CUORHGCFQFLLOK-AWEZNQCLSA-N 1 3 362.430 1.611 20 5 FDBDHO NC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000420321560 538264573 /nfs/dbraw/zinc/26/45/73/538264573.db2.gz CUORHGCFQFLLOK-AWEZNQCLSA-N 1 3 362.430 1.611 20 5 FDBDHO NC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000420321560 538264579 /nfs/dbraw/zinc/26/45/79/538264579.db2.gz CUORHGCFQFLLOK-AWEZNQCLSA-N 1 3 362.430 1.611 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000567678914 548208810 /nfs/dbraw/zinc/20/88/10/548208810.db2.gz DWKRAYWLPWOICD-PKOBYXMFSA-N 1 3 373.457 1.306 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000567678914 548208814 /nfs/dbraw/zinc/20/88/14/548208814.db2.gz DWKRAYWLPWOICD-PKOBYXMFSA-N 1 3 373.457 1.306 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000567678914 548208816 /nfs/dbraw/zinc/20/88/16/548208816.db2.gz DWKRAYWLPWOICD-PKOBYXMFSA-N 1 3 373.457 1.306 20 5 FDBDHO CC1CCN(C[C@@H](O)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000571208996 549565761 /nfs/dbraw/zinc/56/57/61/549565761.db2.gz KYNCZZIFAVZQJI-IRXDYDNUSA-N 1 3 367.446 1.017 20 5 FDBDHO Cc1cc(OCC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000578714736 550793118 /nfs/dbraw/zinc/79/31/18/550793118.db2.gz NZWXBEKNUGRQFZ-UHFFFAOYSA-N 1 3 352.435 1.234 20 5 FDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000597941863 552848834 /nfs/dbraw/zinc/84/88/34/552848834.db2.gz FMENYXANXITDKN-NSHDSACASA-N 1 3 355.414 1.318 20 5 FDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000597941863 552848835 /nfs/dbraw/zinc/84/88/35/552848835.db2.gz FMENYXANXITDKN-NSHDSACASA-N 1 3 355.414 1.318 20 5 FDBDHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599660323 553115499 /nfs/dbraw/zinc/11/54/99/553115499.db2.gz NIBMCGCEJQQQFU-GOSISDBHSA-N 1 3 361.446 1.736 20 5 FDBDHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599660323 553115500 /nfs/dbraw/zinc/11/55/00/553115500.db2.gz NIBMCGCEJQQQFU-GOSISDBHSA-N 1 3 361.446 1.736 20 5 FDBDHO Cn1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262113446 774833302 /nfs/dbraw/zinc/83/33/02/774833302.db2.gz KTPWLNXAINYVDA-GOSISDBHSA-N 1 3 370.457 1.475 20 5 FDBDHO CCCC[N@H+](C)CC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075642738 522950446 /nfs/dbraw/zinc/95/04/46/522950446.db2.gz SXJDNVSWMSLZTK-KRWDZBQOSA-N 1 3 353.467 1.596 20 5 FDBDHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075642738 522950453 /nfs/dbraw/zinc/95/04/53/522950453.db2.gz SXJDNVSWMSLZTK-KRWDZBQOSA-N 1 3 353.467 1.596 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000114477747 524815334 /nfs/dbraw/zinc/81/53/34/524815334.db2.gz DDZJVVMZOIYUFS-ZDUSSCGKSA-N 1 3 350.419 1.816 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000114477747 524815342 /nfs/dbraw/zinc/81/53/42/524815342.db2.gz DDZJVVMZOIYUFS-ZDUSSCGKSA-N 1 3 350.419 1.816 20 5 FDBDHO [NH3+][C@@H]1CCC[C@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]21 ZINC000577062403 550616495 /nfs/dbraw/zinc/61/64/95/550616495.db2.gz AQRNRLVYNQQFGY-AEGPPILISA-N 1 3 360.414 1.952 20 5 FDBDHO CC1CCN(C[C@H](O)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581071601 551049233 /nfs/dbraw/zinc/04/92/33/551049233.db2.gz GWAMOZGAKUDTMO-HZPDHXFCSA-N 1 3 367.446 1.017 20 5 FDBDHO COc1c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cccc1[N+](=O)[O-] ZINC000597942290 552848750 /nfs/dbraw/zinc/84/87/50/552848750.db2.gz KSEXMXICLOXEKK-ZDUSSCGKSA-N 1 3 352.435 1.605 20 5 FDBDHO COc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cccc1[N+](=O)[O-] ZINC000597942290 552848752 /nfs/dbraw/zinc/84/87/52/552848752.db2.gz KSEXMXICLOXEKK-ZDUSSCGKSA-N 1 3 352.435 1.605 20 5 FDBDHO [NH2+]=C(NCCn1cc([N+](=O)[O-])cn1)NC1CCN(Cc2ccccc2)CC1 ZINC000849097479 977314372 /nfs/dbraw/zinc/31/43/72/977314372.db2.gz IDWMSMOODQBQRK-UHFFFAOYSA-N 1 3 371.445 1.570 20 5 FDBDHO C[NH+]1CCC(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3N)CC2)CC1 ZINC000190691211 178016035 /nfs/dbraw/zinc/01/60/35/178016035.db2.gz NZHGUIVLKJDHQW-UHFFFAOYSA-N 1 3 361.446 1.465 20 5 FDBDHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000539293396 540943663 /nfs/dbraw/zinc/94/36/63/540943663.db2.gz SGJUWTWFSMVXSR-CQSZACIVSA-N 1 3 351.451 1.791 20 5 FDBDHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000173349064 258296802 /nfs/dbraw/zinc/29/68/02/258296802.db2.gz RUSUYHTWVNLGJR-UHFFFAOYSA-N 1 3 360.458 1.812 20 5 FDBDHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162105306 525214108 /nfs/dbraw/zinc/21/41/08/525214108.db2.gz UFMFROONQQAZJD-WWGRRREGSA-N 1 3 370.475 1.191 20 5 FDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130278268 525738035 /nfs/dbraw/zinc/73/80/35/525738035.db2.gz JOZWYEVCIPWQKE-UHFFFAOYSA-N 1 3 361.446 1.570 20 5 FDBDHO O=C1CC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])[C@H](C2CC[NH2+]CC2)N1 ZINC000414994779 537953027 /nfs/dbraw/zinc/95/30/27/537953027.db2.gz VIRZERZIKIAZOP-VRQBABSCSA-N 1 3 358.442 1.844 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000591748361 551905610 /nfs/dbraw/zinc/90/56/10/551905610.db2.gz XDMSSAUNBOAIKI-KRWDZBQOSA-N 1 3 351.451 1.539 20 5 FDBDHO NC(=O)c1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c([N+](=O)[O-])c1 ZINC000593736085 552187261 /nfs/dbraw/zinc/18/72/61/552187261.db2.gz FPLJZYJCHICZCI-YQQAZPJKSA-N 1 3 362.430 1.412 20 5 FDBDHO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602844336 553649121 /nfs/dbraw/zinc/64/91/21/553649121.db2.gz AVNQRKIEWGZGGV-SFHVURJKSA-N 1 3 372.425 1.942 20 5 FDBDHO CN(C)CCC[N@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000853798233 968327539 /nfs/dbraw/zinc/32/75/39/968327539.db2.gz DMJIEIMBTRNQRU-UHFFFAOYSA-N 1 3 351.407 1.221 20 5 FDBDHO CN(C)CCC[N@@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000853798233 968327554 /nfs/dbraw/zinc/32/75/54/968327554.db2.gz DMJIEIMBTRNQRU-UHFFFAOYSA-N 1 3 351.407 1.221 20 5 FDBDHO COc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000548192984 542579837 /nfs/dbraw/zinc/57/98/37/542579837.db2.gz HPMLTSFCOVZTPW-UHFFFAOYSA-N 1 3 353.423 1.561 20 5 FDBDHO [NH3+][C@@H]1CCC[C@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@H]21 ZINC000577062405 550616508 /nfs/dbraw/zinc/61/65/08/550616508.db2.gz AQRNRLVYNQQFGY-NWANDNLSSA-N 1 3 360.414 1.952 20 5 FDBDHO CN1CCN(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000578981883 550822229 /nfs/dbraw/zinc/82/22/29/550822229.db2.gz UDFDXPJAZBMXRS-UHFFFAOYSA-N 1 3 363.462 1.539 20 5 FDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000602797409 553640798 /nfs/dbraw/zinc/64/07/98/553640798.db2.gz IRIXLBXVOMZFCQ-GDBMZVCRSA-N 1 3 350.467 1.058 20 5 FDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000602797409 553640800 /nfs/dbraw/zinc/64/08/00/553640800.db2.gz IRIXLBXVOMZFCQ-GDBMZVCRSA-N 1 3 350.467 1.058 20 5 FDBDHO COc1cc(CNCCC[N@@H+]2CCCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000729684451 835244549 /nfs/dbraw/zinc/24/45/49/835244549.db2.gz QDVJMGDAZJISNT-UHFFFAOYSA-N 1 3 366.462 1.729 20 5 FDBDHO COc1cc(CNCCC[N@H+]2CCCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000729684451 835244566 /nfs/dbraw/zinc/24/45/66/835244566.db2.gz QDVJMGDAZJISNT-UHFFFAOYSA-N 1 3 366.462 1.729 20 5 FDBDHO CN1CCC[N@H+](CCCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000729684606 835296738 /nfs/dbraw/zinc/29/67/38/835296738.db2.gz UGBISMVTCLZEPK-UHFFFAOYSA-N 1 3 364.446 1.483 20 5 FDBDHO CN1CCC[N@@H+](CCCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000729684606 835296748 /nfs/dbraw/zinc/29/67/48/835296748.db2.gz UGBISMVTCLZEPK-UHFFFAOYSA-N 1 3 364.446 1.483 20 5 FDBDHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592921 967278108 /nfs/dbraw/zinc/27/81/08/967278108.db2.gz CUIRSRNTSKGALE-GOSISDBHSA-N 1 3 350.463 1.586 20 5 FDBDHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(N)c([N+](=O)[O-])c1 ZINC000855345517 970303931 /nfs/dbraw/zinc/30/39/31/970303931.db2.gz CIGGCGWJUGNNED-ZDUSSCGKSA-N 1 3 351.451 1.487 20 5 FDBDHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(N)c([N+](=O)[O-])c1 ZINC000855345517 970303935 /nfs/dbraw/zinc/30/39/35/970303935.db2.gz CIGGCGWJUGNNED-ZDUSSCGKSA-N 1 3 351.451 1.487 20 5 FDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855346309 970304351 /nfs/dbraw/zinc/30/43/51/970304351.db2.gz VVMASOWBBQOUBI-XJKSGUPXSA-N 1 3 352.435 1.016 20 5 FDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855346309 970304364 /nfs/dbraw/zinc/30/43/64/970304364.db2.gz VVMASOWBBQOUBI-XJKSGUPXSA-N 1 3 352.435 1.016 20 5 FDBDHO C[C@H]1C[NH+](CC2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000176226128 174059690 /nfs/dbraw/zinc/05/96/90/174059690.db2.gz PBHZKKLEOBYMGT-GJZGRUSLSA-N 1 3 351.451 1.613 20 5 FDBDHO CN(CCOc1cccc([N+](=O)[O-])c1)CCN(C)C1CC[NH+](C)CC1 ZINC000177378344 174125578 /nfs/dbraw/zinc/12/55/78/174125578.db2.gz CSZNWGHDTPMLPZ-UHFFFAOYSA-N 1 3 350.463 1.931 20 5 FDBDHO CN1CCCN(CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472614589 538671186 /nfs/dbraw/zinc/67/11/86/538671186.db2.gz VYNPDWLGZRACOE-DLBZAZTESA-N 1 3 364.494 1.892 20 5 FDBDHO CC[NH+]1CCC(CNCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000564763983 547028040 /nfs/dbraw/zinc/02/80/40/547028040.db2.gz SDUQLEHPCCLBNL-UHFFFAOYSA-N 1 3 365.430 1.968 20 5 FDBDHO COc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000567008420 547962075 /nfs/dbraw/zinc/96/20/75/547962075.db2.gz FZQWGKXZTWEYJO-UHFFFAOYSA-N 1 3 352.435 1.477 20 5 FDBDHO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000574890350 550387464 /nfs/dbraw/zinc/38/74/64/550387464.db2.gz XFMUHMFRJMIZDZ-GOSISDBHSA-N 1 3 362.474 1.562 20 5 FDBDHO CN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598961834 552951780 /nfs/dbraw/zinc/95/17/80/552951780.db2.gz CKHHNEJPIFOXKN-CYBMUJFWSA-N 1 3 370.475 1.336 20 5 FDBDHO CCCN1CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006879353 518389060 /nfs/dbraw/zinc/38/90/60/518389060.db2.gz MFIZEJXJMQZONX-UHFFFAOYSA-N 1 3 370.475 1.337 20 5 FDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000120225285 526000765 /nfs/dbraw/zinc/00/07/65/526000765.db2.gz SZKHJSZVWWXSFP-UHFFFAOYSA-N 1 3 374.445 1.346 20 5 FDBDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183634232 536019421 /nfs/dbraw/zinc/01/94/21/536019421.db2.gz SBVSUSKPFOSEOI-CQSZACIVSA-N 1 3 364.450 1.870 20 5 FDBDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183634232 536019425 /nfs/dbraw/zinc/01/94/25/536019425.db2.gz SBVSUSKPFOSEOI-CQSZACIVSA-N 1 3 364.450 1.870 20 5 FDBDHO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246848279 537037971 /nfs/dbraw/zinc/03/79/71/537037971.db2.gz BFNUXFZCUIRKCM-XJKSGUPXSA-N 1 3 370.475 1.193 20 5 FDBDHO COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414987557 537948757 /nfs/dbraw/zinc/94/87/57/537948757.db2.gz KKLZTBPSCUQDJZ-KDOFPFPSSA-N 1 3 362.430 1.340 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420417884 680442845 /nfs/dbraw/zinc/44/28/45/680442845.db2.gz WOAJQAHFTPUADL-QWHCGFSZSA-N 1 3 350.419 1.849 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430540153 681080310 /nfs/dbraw/zinc/08/03/10/681080310.db2.gz GLBBGLCIDOSTSF-STQMWFEESA-N 1 3 350.419 1.991 20 5 FDBDHO Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(N[C@@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895741088 822724598 /nfs/dbraw/zinc/72/45/98/822724598.db2.gz YXDSIAXNTRJBFA-AAVRWANBSA-N 1 3 363.466 1.702 20 5 FDBDHO Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(N[C@@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895741088 822724602 /nfs/dbraw/zinc/72/46/02/822724602.db2.gz YXDSIAXNTRJBFA-AAVRWANBSA-N 1 3 363.466 1.702 20 5 FDBDHO CC(C)C[C@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000788709613 932789964 /nfs/dbraw/zinc/78/99/64/932789964.db2.gz DVCXMGYBUOHSOR-CJNGLKHVSA-N 1 3 365.478 1.920 20 5 FDBDHO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000371974987 990869756 /nfs/dbraw/zinc/86/97/56/990869756.db2.gz RTIWENNSJKVUOO-CYBMUJFWSA-N 1 3 364.450 1.121 20 5 FDBDHO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000371974987 990869768 /nfs/dbraw/zinc/86/97/68/990869768.db2.gz RTIWENNSJKVUOO-CYBMUJFWSA-N 1 3 364.450 1.121 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000420356863 538277499 /nfs/dbraw/zinc/27/74/99/538277499.db2.gz GWLJDTWYEIZJIA-OAHLLOKOSA-N 1 3 350.419 1.910 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCNCC1(C)C ZINC000420356863 538277503 /nfs/dbraw/zinc/27/75/03/538277503.db2.gz GWLJDTWYEIZJIA-OAHLLOKOSA-N 1 3 350.419 1.910 20 5 FDBDHO CC1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581071602 551049161 /nfs/dbraw/zinc/04/91/61/551049161.db2.gz GWAMOZGAKUDTMO-JKSUJKDBSA-N 1 3 367.446 1.017 20 5 FDBDHO O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000592470963 551998868 /nfs/dbraw/zinc/99/88/68/551998868.db2.gz PNKVCSIFFFAYEV-HZSPNIEDSA-N 1 3 353.444 1.346 20 5 FDBDHO O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000592470962 551998894 /nfs/dbraw/zinc/99/88/94/551998894.db2.gz PNKVCSIFFFAYEV-BFHYXJOUSA-N 1 3 353.444 1.346 20 5 FDBDHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598965078 552952136 /nfs/dbraw/zinc/95/21/36/552952136.db2.gz UUYNOKNKVPVPCN-ZDUSSCGKSA-N 1 3 370.475 1.336 20 5 FDBDHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967559 553497228 /nfs/dbraw/zinc/49/72/28/553497228.db2.gz KLONVVKHVHFBMF-SUMDDJOVSA-N 1 3 373.457 1.510 20 5 FDBDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967559 553497230 /nfs/dbraw/zinc/49/72/30/553497230.db2.gz KLONVVKHVHFBMF-SUMDDJOVSA-N 1 3 373.457 1.510 20 5 FDBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967559 553497232 /nfs/dbraw/zinc/49/72/32/553497232.db2.gz KLONVVKHVHFBMF-SUMDDJOVSA-N 1 3 373.457 1.510 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430540751 681080262 /nfs/dbraw/zinc/08/02/62/681080262.db2.gz AMZOSJXPQNJOEA-CHWSQXEVSA-N 1 3 350.419 1.991 20 5 FDBDHO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000819172929 943460169 /nfs/dbraw/zinc/46/01/69/943460169.db2.gz HOICOFXVKWIOKS-GBESFXJTSA-N 1 3 363.458 1.986 20 5 FDBDHO C[NH+](C)CC1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000931482384 1004197571 /nfs/dbraw/zinc/19/75/71/1004197571.db2.gz GIAUESDVQJSZPC-UHFFFAOYSA-N 1 3 368.409 1.451 20 5 FDBDHO [NH3+]C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000564989467 547148863 /nfs/dbraw/zinc/14/88/63/547148863.db2.gz MJUGALRQZBFRGO-AWEZNQCLSA-N 1 3 362.430 1.611 20 5 FDBDHO NC(=O)c1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c([N+](=O)[O-])c1 ZINC000593736087 552187273 /nfs/dbraw/zinc/18/72/73/552187273.db2.gz FPLJZYJCHICZCI-ZOBUZTSGSA-N 1 3 362.430 1.412 20 5 FDBDHO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1N[C@H]1CCN(C2CC2)C1 ZINC000596091375 552654220 /nfs/dbraw/zinc/65/42/20/552654220.db2.gz JEKPLCMDOODKPZ-KGLIPLIRSA-N 1 3 372.473 2.287 20 5 FDBDHO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)nc1N[C@H]1CCN(C2CC2)C1 ZINC000596091375 552654221 /nfs/dbraw/zinc/65/42/21/552654221.db2.gz JEKPLCMDOODKPZ-KGLIPLIRSA-N 1 3 372.473 2.287 20 5 FDBDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967556 553496967 /nfs/dbraw/zinc/49/69/67/553496967.db2.gz KLONVVKHVHFBMF-AYBZRNKSSA-N 1 3 373.457 1.510 20 5 FDBDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967556 553496968 /nfs/dbraw/zinc/49/69/68/553496968.db2.gz KLONVVKHVHFBMF-AYBZRNKSSA-N 1 3 373.457 1.510 20 5 FDBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967556 553496969 /nfs/dbraw/zinc/49/69/69/553496969.db2.gz KLONVVKHVHFBMF-AYBZRNKSSA-N 1 3 373.457 1.510 20 5 FDBDHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000482149162 568285519 /nfs/dbraw/zinc/28/55/19/568285519.db2.gz VEOAHDRJEGSERV-BHYGNILZSA-N 1 3 353.467 1.642 20 5 FDBDHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000482149162 568285520 /nfs/dbraw/zinc/28/55/20/568285520.db2.gz VEOAHDRJEGSERV-BHYGNILZSA-N 1 3 353.467 1.642 20 5 FDBDHO COc1ccc(NC(=O)CCN2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420419234 680443571 /nfs/dbraw/zinc/44/35/71/680443571.db2.gz XKEIEBTZBZOLAC-OLZOCXBDSA-N 1 3 350.419 1.849 20 5 FDBDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000364348090 784977217 /nfs/dbraw/zinc/97/72/17/784977217.db2.gz QDVKIWPZJVQKBA-PVAVHDDUSA-N 1 3 364.446 1.236 20 5 FDBDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000364348090 784977218 /nfs/dbraw/zinc/97/72/18/784977218.db2.gz QDVKIWPZJVQKBA-PVAVHDDUSA-N 1 3 364.446 1.236 20 5 FDBDHO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000371974988 990869394 /nfs/dbraw/zinc/86/93/94/990869394.db2.gz RTIWENNSJKVUOO-ZDUSSCGKSA-N 1 3 364.450 1.121 20 5 FDBDHO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000371974988 990869399 /nfs/dbraw/zinc/86/93/99/990869399.db2.gz RTIWENNSJKVUOO-ZDUSSCGKSA-N 1 3 364.450 1.121 20 5 FDBDHO C[NH+](C)CC1(O)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000931484946 1004202638 /nfs/dbraw/zinc/20/26/38/1004202638.db2.gz REYJXVIDLMYQAS-UHFFFAOYSA-N 1 3 350.419 1.312 20 5 FDBDHO CN(CCOc1ccc([N+](=O)[O-])cc1)CCN(C)C1CC[NH+](C)CC1 ZINC000089269131 172240678 /nfs/dbraw/zinc/24/06/78/172240678.db2.gz RVMRKOJNXDAPFL-UHFFFAOYSA-N 1 3 350.463 1.931 20 5 FDBDHO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000114199058 524759875 /nfs/dbraw/zinc/75/98/75/524759875.db2.gz FIFFUBVBTPPMIC-CYBMUJFWSA-N 1 3 350.419 1.816 20 5 FDBDHO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000114199058 524759884 /nfs/dbraw/zinc/75/98/84/524759884.db2.gz FIFFUBVBTPPMIC-CYBMUJFWSA-N 1 3 350.419 1.816 20 5 FDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000596211885 552665294 /nfs/dbraw/zinc/66/52/94/552665294.db2.gz YJMRHWJCSIYNIU-AWEZNQCLSA-N 1 3 351.451 1.666 20 5 FDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000596211885 552665295 /nfs/dbraw/zinc/66/52/95/552665295.db2.gz YJMRHWJCSIYNIU-AWEZNQCLSA-N 1 3 351.451 1.666 20 5 FDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597943313 552848672 /nfs/dbraw/zinc/84/86/72/552848672.db2.gz XQDXRBZIGJXAMJ-ZDUSSCGKSA-N 1 3 354.426 1.665 20 5 FDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597943313 552848673 /nfs/dbraw/zinc/84/86/73/552848673.db2.gz XQDXRBZIGJXAMJ-ZDUSSCGKSA-N 1 3 354.426 1.665 20 5 FDBDHO C[NH+](C)CC1(O)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000931481792 1004197599 /nfs/dbraw/zinc/19/75/99/1004197599.db2.gz MONSUHLFFMJIHO-UHFFFAOYSA-N 1 3 350.419 1.312 20 5 FDBDHO C[NH+](C)CCNC(=O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000171656443 258267863 /nfs/dbraw/zinc/26/78/63/258267863.db2.gz RQWHVKAENLXJHS-UHFFFAOYSA-N 1 3 364.446 1.363 20 5 FDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000548748647 542770340 /nfs/dbraw/zinc/77/03/40/542770340.db2.gz IZWKYJKTIMRHKG-UHFFFAOYSA-N 1 3 351.451 1.272 20 5 FDBDHO CN1CC[NH+](CC2(C)CCN(CCn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000375234922 261294669 /nfs/dbraw/zinc/29/46/69/261294669.db2.gz VEGPQPBQDCCKCF-UHFFFAOYSA-N 1 3 350.467 1.141 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000571802021 549768101 /nfs/dbraw/zinc/76/81/01/549768101.db2.gz JTURPDHAUBTZJQ-CFVMTHIKSA-N 1 3 362.430 1.991 20 5 FDBDHO COc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc([N+](=O)[O-])c1C ZINC000597943207 552848565 /nfs/dbraw/zinc/84/85/65/552848565.db2.gz VQDUZCJFWZUNIW-ZDUSSCGKSA-N 1 3 366.462 1.914 20 5 FDBDHO COc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc([N+](=O)[O-])c1C ZINC000597943207 552848566 /nfs/dbraw/zinc/84/85/66/552848566.db2.gz VQDUZCJFWZUNIW-ZDUSSCGKSA-N 1 3 366.462 1.914 20 5 FDBDHO CC1CC[NH+](C[C@H](O)CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618567998 555651663 /nfs/dbraw/zinc/65/16/63/555651663.db2.gz GTZCOKHDOUHKLW-ZACQAIPSSA-N 1 3 365.478 1.957 20 5 FDBDHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000483133355 686469870 /nfs/dbraw/zinc/46/98/70/686469870.db2.gz YVRPRQXAKONULM-MRXNPFEDSA-N 1 3 350.463 1.636 20 5 FDBDHO COC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169049603 928254851 /nfs/dbraw/zinc/25/48/51/928254851.db2.gz WUGNHGOFIQXCHW-INMHGKMJSA-N 1 3 353.463 1.781 20 5 FDBDHO COC(=O)[C@@H]1CCC[N@H+](C2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169049603 928254860 /nfs/dbraw/zinc/25/48/60/928254860.db2.gz WUGNHGOFIQXCHW-INMHGKMJSA-N 1 3 353.463 1.781 20 5 FDBDHO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000819173704 943460804 /nfs/dbraw/zinc/46/08/04/943460804.db2.gz LYXVQCQGMJJOFR-GBESFXJTSA-N 1 3 363.458 1.986 20 5 FDBDHO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000776595814 967349913 /nfs/dbraw/zinc/34/99/13/967349913.db2.gz AYPLAEDWRGWKCM-MNEFBYGVSA-N 1 3 362.474 1.586 20 5 FDBDHO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000776595814 967349923 /nfs/dbraw/zinc/34/99/23/967349923.db2.gz AYPLAEDWRGWKCM-MNEFBYGVSA-N 1 3 362.474 1.586 20 5 FDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543835381 541669945 /nfs/dbraw/zinc/66/99/45/541669945.db2.gz VALBPZMZTWYQIH-UHFFFAOYSA-N 1 3 374.388 1.762 20 5 FDBDHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000050802311 522942652 /nfs/dbraw/zinc/94/26/52/522942652.db2.gz STJKCXWUIIYOMN-UHFFFAOYSA-N 1 3 360.458 1.812 20 5 FDBDHO CC(C)N1CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000162143563 525219429 /nfs/dbraw/zinc/21/94/29/525219429.db2.gz GNPCJYNPKIBHJQ-UHFFFAOYSA-N 1 3 370.475 1.336 20 5 FDBDHO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000580871992 551027190 /nfs/dbraw/zinc/02/71/90/551027190.db2.gz YLYRFANXGKEKHJ-UHFFFAOYSA-N 1 3 367.450 1.951 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430540152 681080360 /nfs/dbraw/zinc/08/03/60/681080360.db2.gz GLBBGLCIDOSTSF-QWHCGFSZSA-N 1 3 350.419 1.991 20 5 FDBDHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccccc1[N+](=O)[O-] ZINC000467864513 684881155 /nfs/dbraw/zinc/88/11/55/684881155.db2.gz OEYSNHVCQNXOFU-MRXNPFEDSA-N 1 3 350.463 1.636 20 5 FDBDHO Cc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000875713536 991931199 /nfs/dbraw/zinc/93/11/99/991931199.db2.gz NJKHYARYXTXHOT-HNNXBMFYSA-N 1 3 365.478 1.974 20 5 FDBDHO Cc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000875713536 991931205 /nfs/dbraw/zinc/93/12/05/991931205.db2.gz NJKHYARYXTXHOT-HNNXBMFYSA-N 1 3 365.478 1.974 20 5 FDBDHO CN1CCN(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000331717473 259215266 /nfs/dbraw/zinc/21/52/66/259215266.db2.gz HDTXIYZXSMIXPL-HOTGVXAUSA-N 1 3 364.494 1.891 20 5 FDBDHO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000374324471 261110450 /nfs/dbraw/zinc/11/04/50/261110450.db2.gz MHLRKLASDPKIOE-LPHOPBHVSA-N 1 3 362.474 1.931 20 5 FDBDHO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000374324471 261110451 /nfs/dbraw/zinc/11/04/51/261110451.db2.gz MHLRKLASDPKIOE-LPHOPBHVSA-N 1 3 362.474 1.931 20 5 FDBDHO CN(CCn1ccc([N+](=O)[O-])n1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374751930 261188494 /nfs/dbraw/zinc/18/84/94/261188494.db2.gz QNFONFJIIUIGHP-UHFFFAOYSA-N 1 3 358.446 1.825 20 5 FDBDHO Cc1ccc([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000168915774 525621537 /nfs/dbraw/zinc/62/15/37/525621537.db2.gz PQZGBOIZZMRUGU-QGZVFWFLSA-N 1 3 364.490 1.944 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000567685884 548212024 /nfs/dbraw/zinc/21/20/24/548212024.db2.gz PNCUOIRYZFWEEB-QGZVFWFLSA-N 1 3 360.418 1.053 20 5 FDBDHO CCOCCC[N@H+]1CC[C@@H](NCCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602810763 553642694 /nfs/dbraw/zinc/64/26/94/553642694.db2.gz IUTXHWHTTVEXPN-GDBMZVCRSA-N 1 3 353.467 1.826 20 5 FDBDHO CCOCCC[N@@H+]1CC[C@@H](NCCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602810763 553642692 /nfs/dbraw/zinc/64/26/92/553642692.db2.gz IUTXHWHTTVEXPN-GDBMZVCRSA-N 1 3 353.467 1.826 20 5 FDBDHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169024001 928247982 /nfs/dbraw/zinc/24/79/82/928247982.db2.gz WPKMOXHYHVYUSP-RDJZCZTQSA-N 1 3 362.474 1.256 20 5 FDBDHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169024001 928247995 /nfs/dbraw/zinc/24/79/95/928247995.db2.gz WPKMOXHYHVYUSP-RDJZCZTQSA-N 1 3 362.474 1.256 20 5 FDBDHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818340919 943231583 /nfs/dbraw/zinc/23/15/83/943231583.db2.gz SJMSMWZXDMCMGI-IAGOWNOFSA-N 1 3 361.446 1.103 20 5 FDBDHO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000819172930 943460188 /nfs/dbraw/zinc/46/01/88/943460188.db2.gz HOICOFXVKWIOKS-GUDVDZBRSA-N 1 3 363.458 1.986 20 5 FDBDHO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174721158 524708947 /nfs/dbraw/zinc/70/89/47/524708947.db2.gz KVUVHBLTPXFEQO-OAHLLOKOSA-N 1 3 363.462 1.491 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000567685883 548212106 /nfs/dbraw/zinc/21/21/06/548212106.db2.gz PNCUOIRYZFWEEB-KRWDZBQOSA-N 1 3 360.418 1.053 20 5 FDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000571802020 549768274 /nfs/dbraw/zinc/76/82/74/549768274.db2.gz JTURPDHAUBTZJQ-AEGPPILISA-N 1 3 362.430 1.991 20 5 FDBDHO CN1CCC(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000579110860 550836993 /nfs/dbraw/zinc/83/69/93/550836993.db2.gz LFRULGMGZBSHLY-UHFFFAOYSA-N 1 3 355.460 1.690 20 5 FDBDHO CC1CCN(C[C@@H](O)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000582003370 551162005 /nfs/dbraw/zinc/16/20/05/551162005.db2.gz HFSCTIZEKFRGMV-HNNXBMFYSA-N 1 3 364.446 1.606 20 5 FDBDHO COC(=O)COc1ccc(CN2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261992527 672707988 /nfs/dbraw/zinc/70/79/88/672707988.db2.gz SOCBETWJPXPKIM-ZDUSSCGKSA-N 1 3 351.403 1.707 20 5 FDBDHO CC(C)CN(CC[NH+](C)C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000525801051 828720618 /nfs/dbraw/zinc/72/06/18/828720618.db2.gz NNNBPFQIEOMUPI-UHFFFAOYSA-N 1 3 365.430 1.955 20 5 FDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001146981774 952266296 /nfs/dbraw/zinc/26/62/96/952266296.db2.gz GJLQSZGBGSJKPV-NSHDSACASA-N 1 3 371.869 1.832 20 5 FDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001146981774 952266301 /nfs/dbraw/zinc/26/63/01/952266301.db2.gz GJLQSZGBGSJKPV-NSHDSACASA-N 1 3 371.869 1.832 20 5 FDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000855346366 970305918 /nfs/dbraw/zinc/30/59/18/970305918.db2.gz YSGIXNDCFQCXBJ-AWEZNQCLSA-N 1 3 365.478 1.663 20 5 FDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000855346366 970305923 /nfs/dbraw/zinc/30/59/23/970305923.db2.gz YSGIXNDCFQCXBJ-AWEZNQCLSA-N 1 3 365.478 1.663 20 5 FDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420353172 538273825 /nfs/dbraw/zinc/27/38/25/538273825.db2.gz ZZWIDVBMNIKMQQ-MRXNPFEDSA-N 1 3 361.446 1.211 20 5 FDBDHO O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000592470964 551998782 /nfs/dbraw/zinc/99/87/82/551998782.db2.gz PNKVCSIFFFAYEV-MELADBBJSA-N 1 3 353.444 1.346 20 5 FDBDHO COc1ccc(NC(=O)CCN2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420419237 680443629 /nfs/dbraw/zinc/44/36/29/680443629.db2.gz XKEIEBTZBZOLAC-QWHCGFSZSA-N 1 3 350.419 1.849 20 5 FDBDHO CCN1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246848262 537037993 /nfs/dbraw/zinc/03/79/93/537037993.db2.gz BFNUXFZCUIRKCM-BBRMVZONSA-N 1 3 370.475 1.193 20 5 FDBDHO CN1CCCN(CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472614591 538672035 /nfs/dbraw/zinc/67/20/35/538672035.db2.gz VYNPDWLGZRACOE-IAGOWNOFSA-N 1 3 364.494 1.892 20 5 FDBDHO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847981 553649719 /nfs/dbraw/zinc/64/97/19/553649719.db2.gz WXJVZZHCOGHCIM-KRWDZBQOSA-N 1 3 372.425 1.942 20 5 FDBDHO CC1CC[NH+](CC2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000369826340 989218428 /nfs/dbraw/zinc/21/84/28/989218428.db2.gz UGQBLVQEJQWEPZ-GOSISDBHSA-N 1 3 365.478 1.596 20 5 FDBDHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000180943390 174198010 /nfs/dbraw/zinc/19/80/10/174198010.db2.gz ULRWWDSKPWYBRN-SFHVURJKSA-N 1 3 350.463 1.586 20 5 FDBDHO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCN(c2ccncc2)CC1 ZINC000367884907 260105362 /nfs/dbraw/zinc/10/53/62/260105362.db2.gz IZXGGOPOKIHBNN-GOSISDBHSA-N 1 3 374.445 1.396 20 5 FDBDHO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCN(c2ccncc2)CC1 ZINC000367884907 260105363 /nfs/dbraw/zinc/10/53/63/260105363.db2.gz IZXGGOPOKIHBNN-GOSISDBHSA-N 1 3 374.445 1.396 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000114477749 524817297 /nfs/dbraw/zinc/81/72/97/524817297.db2.gz DDZJVVMZOIYUFS-CYBMUJFWSA-N 1 3 350.419 1.816 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000114477749 524817304 /nfs/dbraw/zinc/81/73/04/524817304.db2.gz DDZJVVMZOIYUFS-CYBMUJFWSA-N 1 3 350.419 1.816 20 5 FDBDHO CN(C)CCN1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472610801 538670037 /nfs/dbraw/zinc/67/00/37/538670037.db2.gz TVTLSKUVXPVWHQ-IRXDYDNUSA-N 1 3 364.494 1.891 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000574324459 550296087 /nfs/dbraw/zinc/29/60/87/550296087.db2.gz ZRGLJHGIAYXSJL-QEJZJMRPSA-N 1 3 362.430 1.991 20 5 FDBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000602783541 553637806 /nfs/dbraw/zinc/63/78/06/553637806.db2.gz PHTIIOPAWJWDJH-UHFFFAOYSA-N 1 3 351.451 1.677 20 5 FDBDHO C[NH+](C)CCOc1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000819195827 943470714 /nfs/dbraw/zinc/47/07/14/943470714.db2.gz KSWJOPGAVVZFFS-KRWDZBQOSA-N 1 3 360.414 1.753 20 5 FDBDHO CC1CC[NH+](CC2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000369826341 989218024 /nfs/dbraw/zinc/21/80/24/989218024.db2.gz UGQBLVQEJQWEPZ-SFHVURJKSA-N 1 3 365.478 1.596 20 5 FDBDHO CC[NH+](CC)CCOC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000535585142 540486781 /nfs/dbraw/zinc/48/67/81/540486781.db2.gz HTALVCWCHLSYLD-UHFFFAOYSA-N 1 3 366.462 1.579 20 5 FDBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000580422387 550980584 /nfs/dbraw/zinc/98/05/84/550980584.db2.gz CDKLIARFTKMCJG-GOSISDBHSA-N 1 3 359.430 1.538 20 5 FDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420410127 680441582 /nfs/dbraw/zinc/44/15/82/680441582.db2.gz RBAJVOBBUJHTJN-OLZOCXBDSA-N 1 3 350.419 1.849 20 5 FDBDHO